data_10017 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10017 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for the ADP-BOUND Form of Human ABCB6 C-Terminal Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-08 _Entry.Accession_date 2005-12-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaori Kurashima-Ito . . . 10017 2 Teppei Ikeya . . . 10017 3 Hiroshi Senbongi . . . 10017 4 Hidehito Tochio . . . 10017 5 Tsutomu Mikawa . . . 10017 6 Takehiko Shibata . . . 10017 7 Yutaka Ito . . . 10017 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Cellular and Molecular Biology Laboratory, RIKEN' . 10017 2 . 'Molecular and Cellular Physiology Laboratory, Yokohama City University' . 10017 3 . 'Molecular Biophysics Laboratory, Yokohama City University' . 10017 4 . 'CREST/Japan Science and Technology Agency' . 10017 5 . 'National Institute of Advanced Industrial Science and Technology (AIST)' . 10017 6 . 'Department of Chemistry, Tokyo Metropolitan University' . 10017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 10017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1051 10017 '15N chemical shifts' 403 10017 '1H chemical shifts' 403 10017 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-01 2005-12-09 update BMRB 'complete entry citation' 10017 1 . . 2006-06-27 2005-12-09 original author 'original release' 10017 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 10016 'the Nucleotide-Free Form of Human ABCB6 C-Terminal Domain' 10017 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10017 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16791740 _Citation.Full_citation . _Citation.Title ; Heteronuclear multidimensional NMR and homology modelling studies of the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 53 _Citation.Page_last 71 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kaori Kurashima-Ito . . . 10017 1 2 Teppei Ikeya . . . 10017 1 3 Hiroshi Senbongi . . . 10017 1 4 Hidehito Tochio . . . 10017 1 5 Tsutomu Mikawa . . . 10017 1 6 Takehiko Shibata . . . 10017 1 7 Yutaka Ito . . . 10017 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ABC transporter' 10017 1 'Fe homeostasis' 10017 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10017 _Assembly.ID 1 _Assembly.Name ABCB6-C-ADP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6, in the ADP-bound state ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 10017 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ABCB6-C 1 $ABCB6-C . . yes native no yes . . . 10017 1 2 ADP 2 $ADP . . no native no yes . . . 10017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ABCB6-C _Entity.Sf_category entity _Entity.Sf_framecode ABCB6-C _Entity.Entry_ID 10017 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ; the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6 ; _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FIDMENMFDLLKEETEVKDL PGAGPLRFQKGRIEFENVHF SYADGRETLQDVSFTVMPGQ TLALVGPSGAGKSTILRLLF RFYDISSGCIRIDGQDISQV TQASLRSHIGVVPQDTVLFN DTIADNIRYGRVTAGNDEVE AAAQAAGIHDAIMAFPEGYR TQVGERGLKLSGGEKQRVAI ARTILKAPGIILLDEATSAL DTSNERAIQASLAKVCANRT TIVVAHRLSTVVNADQILVI KDGCIVERGRHEALLSRGGV YADMWQLQQGQEETSEDTKP QTMER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues from Phe558 to the C-terminal Arg842' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 285 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10016 . "the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6" . . . . . 95.00 285 100.00 100.00 0.00e+00 . . . . 10017 1 2 no PDB 3NH6 . "Nucleotide Binding Domain Of Human Abcb6 (Apo Structure)" . . . . . 96.67 306 98.62 98.62 0.00e+00 . . . . 10017 1 3 no PDB 3NH9 . "Nucleotide Binding Domain Of Human Abcb6 (Atp Bound Structure)" . . . . . 96.67 306 98.62 98.62 0.00e+00 . . . . 10017 1 4 no PDB 3NHA . "Nucleotide Binding Domain Of Human Abcb6 (Adp Mg Bound Structure)" . . . . . 96.67 306 98.62 98.62 0.00e+00 . . . . 10017 1 5 no PDB 3NHB . "Nucleotide Binding Domain Of Human Abcb6 (Adp Bound Structure)" . . . . . 96.67 306 98.62 98.62 0.00e+00 . . . . 10017 1 6 no DBJ BAA96733 . "mitochondrial ABC transporter 3 [Homo sapiens]" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 7 no DBJ BAB71347 . "unnamed protein product [Homo sapiens]" . . . . . 95.33 766 99.65 100.00 0.00e+00 . . . . 10017 1 8 no DBJ BAD18782 . "unnamed protein product [Homo sapiens]" . . . . . 95.33 571 98.95 99.30 0.00e+00 . . . . 10017 1 9 no DBJ BAK62401 . "ATP-binding cassette sub-family B member 6, mitochondrial precursor [Pan troglodytes]" . . . . . 95.67 474 98.95 99.30 0.00e+00 . . . . 10017 1 10 no DBJ BAK62910 . "ATP-binding cassette sub-family B member 6, mitochondrial precursor [Pan troglodytes]" . . . . . 95.67 437 98.95 99.30 0.00e+00 . . . . 10017 1 11 no EMBL CAB95766 . "ABC transporter umat [Homo sapiens]" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 12 no GB AAC28653 . "ABC transporter [Homo sapiens]" . . . . . 95.33 511 99.65 100.00 0.00e+00 . . . . 10017 1 13 no GB AAF75107 . "MT-ABC transporter [Homo sapiens]" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 14 no GB AAG33617 . "ATP-binding cassette half-transporter [Homo sapiens]" . . . . . 95.33 896 99.65 100.00 0.00e+00 . . . . 10017 1 15 no GB AAH00559 . "ATP-binding cassette, sub-family B (MDR/TAP), member 6 [Homo sapiens]" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 16 no GB AAH43423 . "ABCB6 protein [Homo sapiens]" . . . . . 95.33 301 99.65 100.00 0.00e+00 . . . . 10017 1 17 no REF NP_005680 . "ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 18 no REF XP_001161097 . "PREDICTED: ATP-binding cassette sub-family B member 6, mitochondrial isoform X1 [Pan troglodytes]" . . . . . 95.67 843 98.95 99.30 0.00e+00 . . . . 10017 1 19 no REF XP_002799099 . "PREDICTED: ATP-binding cassette sub-family B member 6, mitochondrial-like isoform 1 [Macaca mulatta]" . . . . . 95.67 843 97.91 98.95 0.00e+00 . . . . 10017 1 20 no REF XP_002799100 . "PREDICTED: ATP-binding cassette sub-family B member 6, mitochondrial-like isoform 2 [Macaca mulatta]" . . . . . 95.67 767 97.91 98.95 0.00e+00 . . . . 10017 1 21 no REF XP_003272439 . "PREDICTED: ATP-binding cassette sub-family B member 6, mitochondrial [Nomascus leucogenys]" . . . . . 95.67 843 98.26 98.95 0.00e+00 . . . . 10017 1 22 no SP Q9NP58 . "RecName: Full=ATP-binding cassette sub-family B member 6, mitochondrial; AltName: Full=Mitochondrial ABC transporter 3; Short=M" . . . . . 95.33 842 99.65 100.00 0.00e+00 . . . . 10017 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'iron ion homeostasis' 10017 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ABC transporter' . 10017 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'ABC transporter' 10017 1 'nucleotide binding domain' 10017 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 558 PHE . 10017 1 2 559 ILE . 10017 1 3 560 ASP . 10017 1 4 561 MET . 10017 1 5 562 GLU . 10017 1 6 563 ASN . 10017 1 7 564 MET . 10017 1 8 565 PHE . 10017 1 9 566 ASP . 10017 1 10 567 LEU . 10017 1 11 568 LEU . 10017 1 12 569 LYS . 10017 1 13 570 GLU . 10017 1 14 571 GLU . 10017 1 15 572 THR . 10017 1 16 573 GLU . 10017 1 17 574 VAL . 10017 1 18 575 LYS . 10017 1 19 576 ASP . 10017 1 20 577 LEU . 10017 1 21 578 PRO . 10017 1 22 579 GLY . 10017 1 23 580 ALA . 10017 1 24 581 GLY . 10017 1 25 582 PRO . 10017 1 26 583 LEU . 10017 1 27 584 ARG . 10017 1 28 585 PHE . 10017 1 29 586 GLN . 10017 1 30 587 LYS . 10017 1 31 588 GLY . 10017 1 32 589 ARG . 10017 1 33 590 ILE . 10017 1 34 591 GLU . 10017 1 35 592 PHE . 10017 1 36 593 GLU . 10017 1 37 594 ASN . 10017 1 38 595 VAL . 10017 1 39 596 HIS . 10017 1 40 597 PHE . 10017 1 41 598 SER . 10017 1 42 599 TYR . 10017 1 43 600 ALA . 10017 1 44 601 ASP . 10017 1 45 602 GLY . 10017 1 46 603 ARG . 10017 1 47 604 GLU . 10017 1 48 605 THR . 10017 1 49 606 LEU . 10017 1 50 607 GLN . 10017 1 51 608 ASP . 10017 1 52 609 VAL . 10017 1 53 610 SER . 10017 1 54 611 PHE . 10017 1 55 612 THR . 10017 1 56 613 VAL . 10017 1 57 614 MET . 10017 1 58 615 PRO . 10017 1 59 616 GLY . 10017 1 60 617 GLN . 10017 1 61 618 THR . 10017 1 62 619 LEU . 10017 1 63 620 ALA . 10017 1 64 621 LEU . 10017 1 65 622 VAL . 10017 1 66 623 GLY . 10017 1 67 624 PRO . 10017 1 68 625 SER . 10017 1 69 626 GLY . 10017 1 70 627 ALA . 10017 1 71 628 GLY . 10017 1 72 629 LYS . 10017 1 73 630 SER . 10017 1 74 631 THR . 10017 1 75 632 ILE . 10017 1 76 633 LEU . 10017 1 77 634 ARG . 10017 1 78 635 LEU . 10017 1 79 636 LEU . 10017 1 80 637 PHE . 10017 1 81 638 ARG . 10017 1 82 639 PHE . 10017 1 83 640 TYR . 10017 1 84 641 ASP . 10017 1 85 642 ILE . 10017 1 86 643 SER . 10017 1 87 644 SER . 10017 1 88 645 GLY . 10017 1 89 646 CYS . 10017 1 90 647 ILE . 10017 1 91 648 ARG . 10017 1 92 649 ILE . 10017 1 93 650 ASP . 10017 1 94 651 GLY . 10017 1 95 652 GLN . 10017 1 96 653 ASP . 10017 1 97 654 ILE . 10017 1 98 655 SER . 10017 1 99 656 GLN . 10017 1 100 657 VAL . 10017 1 101 658 THR . 10017 1 102 659 GLN . 10017 1 103 660 ALA . 10017 1 104 661 SER . 10017 1 105 662 LEU . 10017 1 106 663 ARG . 10017 1 107 664 SER . 10017 1 108 665 HIS . 10017 1 109 666 ILE . 10017 1 110 667 GLY . 10017 1 111 668 VAL . 10017 1 112 669 VAL . 10017 1 113 670 PRO . 10017 1 114 671 GLN . 10017 1 115 672 ASP . 10017 1 116 673 THR . 10017 1 117 674 VAL . 10017 1 118 675 LEU . 10017 1 119 676 PHE . 10017 1 120 677 ASN . 10017 1 121 678 ASP . 10017 1 122 679 THR . 10017 1 123 680 ILE . 10017 1 124 681 ALA . 10017 1 125 682 ASP . 10017 1 126 683 ASN . 10017 1 127 684 ILE . 10017 1 128 685 ARG . 10017 1 129 686 TYR . 10017 1 130 687 GLY . 10017 1 131 688 ARG . 10017 1 132 689 VAL . 10017 1 133 690 THR . 10017 1 134 691 ALA . 10017 1 135 692 GLY . 10017 1 136 693 ASN . 10017 1 137 694 ASP . 10017 1 138 695 GLU . 10017 1 139 696 VAL . 10017 1 140 697 GLU . 10017 1 141 698 ALA . 10017 1 142 699 ALA . 10017 1 143 700 ALA . 10017 1 144 701 GLN . 10017 1 145 702 ALA . 10017 1 146 703 ALA . 10017 1 147 704 GLY . 10017 1 148 705 ILE . 10017 1 149 706 HIS . 10017 1 150 707 ASP . 10017 1 151 708 ALA . 10017 1 152 709 ILE . 10017 1 153 710 MET . 10017 1 154 711 ALA . 10017 1 155 712 PHE . 10017 1 156 713 PRO . 10017 1 157 714 GLU . 10017 1 158 715 GLY . 10017 1 159 716 TYR . 10017 1 160 717 ARG . 10017 1 161 718 THR . 10017 1 162 719 GLN . 10017 1 163 720 VAL . 10017 1 164 721 GLY . 10017 1 165 722 GLU . 10017 1 166 723 ARG . 10017 1 167 724 GLY . 10017 1 168 725 LEU . 10017 1 169 726 LYS . 10017 1 170 727 LEU . 10017 1 171 728 SER . 10017 1 172 729 GLY . 10017 1 173 730 GLY . 10017 1 174 731 GLU . 10017 1 175 732 LYS . 10017 1 176 733 GLN . 10017 1 177 734 ARG . 10017 1 178 735 VAL . 10017 1 179 736 ALA . 10017 1 180 737 ILE . 10017 1 181 738 ALA . 10017 1 182 739 ARG . 10017 1 183 740 THR . 10017 1 184 741 ILE . 10017 1 185 742 LEU . 10017 1 186 743 LYS . 10017 1 187 744 ALA . 10017 1 188 745 PRO . 10017 1 189 746 GLY . 10017 1 190 747 ILE . 10017 1 191 748 ILE . 10017 1 192 749 LEU . 10017 1 193 750 LEU . 10017 1 194 751 ASP . 10017 1 195 752 GLU . 10017 1 196 753 ALA . 10017 1 197 754 THR . 10017 1 198 755 SER . 10017 1 199 756 ALA . 10017 1 200 757 LEU . 10017 1 201 758 ASP . 10017 1 202 759 THR . 10017 1 203 760 SER . 10017 1 204 761 ASN . 10017 1 205 762 GLU . 10017 1 206 763 ARG . 10017 1 207 764 ALA . 10017 1 208 765 ILE . 10017 1 209 766 GLN . 10017 1 210 767 ALA . 10017 1 211 768 SER . 10017 1 212 769 LEU . 10017 1 213 770 ALA . 10017 1 214 771 LYS . 10017 1 215 772 VAL . 10017 1 216 773 CYS . 10017 1 217 774 ALA . 10017 1 218 775 ASN . 10017 1 219 776 ARG . 10017 1 220 777 THR . 10017 1 221 778 THR . 10017 1 222 779 ILE . 10017 1 223 780 VAL . 10017 1 224 781 VAL . 10017 1 225 782 ALA . 10017 1 226 783 HIS . 10017 1 227 784 ARG . 10017 1 228 785 LEU . 10017 1 229 786 SER . 10017 1 230 787 THR . 10017 1 231 788 VAL . 10017 1 232 789 VAL . 10017 1 233 790 ASN . 10017 1 234 791 ALA . 10017 1 235 792 ASP . 10017 1 236 793 GLN . 10017 1 237 794 ILE . 10017 1 238 795 LEU . 10017 1 239 796 VAL . 10017 1 240 797 ILE . 10017 1 241 798 LYS . 10017 1 242 799 ASP . 10017 1 243 800 GLY . 10017 1 244 801 CYS . 10017 1 245 802 ILE . 10017 1 246 803 VAL . 10017 1 247 804 GLU . 10017 1 248 805 ARG . 10017 1 249 806 GLY . 10017 1 250 807 ARG . 10017 1 251 808 HIS . 10017 1 252 809 GLU . 10017 1 253 810 ALA . 10017 1 254 811 LEU . 10017 1 255 812 LEU . 10017 1 256 813 SER . 10017 1 257 814 ARG . 10017 1 258 815 GLY . 10017 1 259 816 GLY . 10017 1 260 817 VAL . 10017 1 261 818 TYR . 10017 1 262 819 ALA . 10017 1 263 820 ASP . 10017 1 264 821 MET . 10017 1 265 822 TRP . 10017 1 266 823 GLN . 10017 1 267 824 LEU . 10017 1 268 825 GLN . 10017 1 269 826 GLN . 10017 1 270 827 GLY . 10017 1 271 828 GLN . 10017 1 272 829 GLU . 10017 1 273 830 GLU . 10017 1 274 831 THR . 10017 1 275 832 SER . 10017 1 276 833 GLU . 10017 1 277 834 ASP . 10017 1 278 835 THR . 10017 1 279 836 LYS . 10017 1 280 837 PRO . 10017 1 281 838 GLN . 10017 1 282 839 THR . 10017 1 283 840 MET . 10017 1 284 841 GLU . 10017 1 285 842 ARG . 10017 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PHE 1 1 10017 1 . ILE 2 2 10017 1 . ASP 3 3 10017 1 . MET 4 4 10017 1 . GLU 5 5 10017 1 . ASN 6 6 10017 1 . MET 7 7 10017 1 . PHE 8 8 10017 1 . ASP 9 9 10017 1 . LEU 10 10 10017 1 . LEU 11 11 10017 1 . LYS 12 12 10017 1 . GLU 13 13 10017 1 . GLU 14 14 10017 1 . THR 15 15 10017 1 . GLU 16 16 10017 1 . VAL 17 17 10017 1 . LYS 18 18 10017 1 . ASP 19 19 10017 1 . LEU 20 20 10017 1 . PRO 21 21 10017 1 . GLY 22 22 10017 1 . ALA 23 23 10017 1 . GLY 24 24 10017 1 . PRO 25 25 10017 1 . LEU 26 26 10017 1 . ARG 27 27 10017 1 . PHE 28 28 10017 1 . GLN 29 29 10017 1 . LYS 30 30 10017 1 . GLY 31 31 10017 1 . ARG 32 32 10017 1 . ILE 33 33 10017 1 . GLU 34 34 10017 1 . PHE 35 35 10017 1 . GLU 36 36 10017 1 . ASN 37 37 10017 1 . VAL 38 38 10017 1 . HIS 39 39 10017 1 . PHE 40 40 10017 1 . SER 41 41 10017 1 . TYR 42 42 10017 1 . ALA 43 43 10017 1 . ASP 44 44 10017 1 . GLY 45 45 10017 1 . ARG 46 46 10017 1 . GLU 47 47 10017 1 . THR 48 48 10017 1 . LEU 49 49 10017 1 . GLN 50 50 10017 1 . ASP 51 51 10017 1 . VAL 52 52 10017 1 . SER 53 53 10017 1 . PHE 54 54 10017 1 . THR 55 55 10017 1 . VAL 56 56 10017 1 . MET 57 57 10017 1 . PRO 58 58 10017 1 . GLY 59 59 10017 1 . GLN 60 60 10017 1 . THR 61 61 10017 1 . LEU 62 62 10017 1 . ALA 63 63 10017 1 . LEU 64 64 10017 1 . VAL 65 65 10017 1 . GLY 66 66 10017 1 . PRO 67 67 10017 1 . SER 68 68 10017 1 . GLY 69 69 10017 1 . ALA 70 70 10017 1 . GLY 71 71 10017 1 . LYS 72 72 10017 1 . SER 73 73 10017 1 . THR 74 74 10017 1 . ILE 75 75 10017 1 . LEU 76 76 10017 1 . ARG 77 77 10017 1 . LEU 78 78 10017 1 . LEU 79 79 10017 1 . PHE 80 80 10017 1 . ARG 81 81 10017 1 . PHE 82 82 10017 1 . TYR 83 83 10017 1 . ASP 84 84 10017 1 . ILE 85 85 10017 1 . SER 86 86 10017 1 . SER 87 87 10017 1 . GLY 88 88 10017 1 . CYS 89 89 10017 1 . ILE 90 90 10017 1 . ARG 91 91 10017 1 . ILE 92 92 10017 1 . ASP 93 93 10017 1 . GLY 94 94 10017 1 . GLN 95 95 10017 1 . ASP 96 96 10017 1 . ILE 97 97 10017 1 . SER 98 98 10017 1 . GLN 99 99 10017 1 . VAL 100 100 10017 1 . THR 101 101 10017 1 . GLN 102 102 10017 1 . ALA 103 103 10017 1 . SER 104 104 10017 1 . LEU 105 105 10017 1 . ARG 106 106 10017 1 . SER 107 107 10017 1 . HIS 108 108 10017 1 . ILE 109 109 10017 1 . GLY 110 110 10017 1 . VAL 111 111 10017 1 . VAL 112 112 10017 1 . PRO 113 113 10017 1 . GLN 114 114 10017 1 . ASP 115 115 10017 1 . THR 116 116 10017 1 . VAL 117 117 10017 1 . LEU 118 118 10017 1 . PHE 119 119 10017 1 . ASN 120 120 10017 1 . ASP 121 121 10017 1 . THR 122 122 10017 1 . ILE 123 123 10017 1 . ALA 124 124 10017 1 . ASP 125 125 10017 1 . ASN 126 126 10017 1 . ILE 127 127 10017 1 . ARG 128 128 10017 1 . TYR 129 129 10017 1 . GLY 130 130 10017 1 . ARG 131 131 10017 1 . VAL 132 132 10017 1 . THR 133 133 10017 1 . ALA 134 134 10017 1 . GLY 135 135 10017 1 . ASN 136 136 10017 1 . ASP 137 137 10017 1 . GLU 138 138 10017 1 . VAL 139 139 10017 1 . GLU 140 140 10017 1 . ALA 141 141 10017 1 . ALA 142 142 10017 1 . ALA 143 143 10017 1 . GLN 144 144 10017 1 . ALA 145 145 10017 1 . ALA 146 146 10017 1 . GLY 147 147 10017 1 . ILE 148 148 10017 1 . HIS 149 149 10017 1 . ASP 150 150 10017 1 . ALA 151 151 10017 1 . ILE 152 152 10017 1 . MET 153 153 10017 1 . ALA 154 154 10017 1 . PHE 155 155 10017 1 . PRO 156 156 10017 1 . GLU 157 157 10017 1 . GLY 158 158 10017 1 . TYR 159 159 10017 1 . ARG 160 160 10017 1 . THR 161 161 10017 1 . GLN 162 162 10017 1 . VAL 163 163 10017 1 . GLY 164 164 10017 1 . GLU 165 165 10017 1 . ARG 166 166 10017 1 . GLY 167 167 10017 1 . LEU 168 168 10017 1 . LYS 169 169 10017 1 . LEU 170 170 10017 1 . SER 171 171 10017 1 . GLY 172 172 10017 1 . GLY 173 173 10017 1 . GLU 174 174 10017 1 . LYS 175 175 10017 1 . GLN 176 176 10017 1 . ARG 177 177 10017 1 . VAL 178 178 10017 1 . ALA 179 179 10017 1 . ILE 180 180 10017 1 . ALA 181 181 10017 1 . ARG 182 182 10017 1 . THR 183 183 10017 1 . ILE 184 184 10017 1 . LEU 185 185 10017 1 . LYS 186 186 10017 1 . ALA 187 187 10017 1 . PRO 188 188 10017 1 . GLY 189 189 10017 1 . ILE 190 190 10017 1 . ILE 191 191 10017 1 . LEU 192 192 10017 1 . LEU 193 193 10017 1 . ASP 194 194 10017 1 . GLU 195 195 10017 1 . ALA 196 196 10017 1 . THR 197 197 10017 1 . SER 198 198 10017 1 . ALA 199 199 10017 1 . LEU 200 200 10017 1 . ASP 201 201 10017 1 . THR 202 202 10017 1 . SER 203 203 10017 1 . ASN 204 204 10017 1 . GLU 205 205 10017 1 . ARG 206 206 10017 1 . ALA 207 207 10017 1 . ILE 208 208 10017 1 . GLN 209 209 10017 1 . ALA 210 210 10017 1 . SER 211 211 10017 1 . LEU 212 212 10017 1 . ALA 213 213 10017 1 . LYS 214 214 10017 1 . VAL 215 215 10017 1 . CYS 216 216 10017 1 . ALA 217 217 10017 1 . ASN 218 218 10017 1 . ARG 219 219 10017 1 . THR 220 220 10017 1 . THR 221 221 10017 1 . ILE 222 222 10017 1 . VAL 223 223 10017 1 . VAL 224 224 10017 1 . ALA 225 225 10017 1 . HIS 226 226 10017 1 . ARG 227 227 10017 1 . LEU 228 228 10017 1 . SER 229 229 10017 1 . THR 230 230 10017 1 . VAL 231 231 10017 1 . VAL 232 232 10017 1 . ASN 233 233 10017 1 . ALA 234 234 10017 1 . ASP 235 235 10017 1 . GLN 236 236 10017 1 . ILE 237 237 10017 1 . LEU 238 238 10017 1 . VAL 239 239 10017 1 . ILE 240 240 10017 1 . LYS 241 241 10017 1 . ASP 242 242 10017 1 . GLY 243 243 10017 1 . CYS 244 244 10017 1 . ILE 245 245 10017 1 . VAL 246 246 10017 1 . GLU 247 247 10017 1 . ARG 248 248 10017 1 . GLY 249 249 10017 1 . ARG 250 250 10017 1 . HIS 251 251 10017 1 . GLU 252 252 10017 1 . ALA 253 253 10017 1 . LEU 254 254 10017 1 . LEU 255 255 10017 1 . SER 256 256 10017 1 . ARG 257 257 10017 1 . GLY 258 258 10017 1 . GLY 259 259 10017 1 . VAL 260 260 10017 1 . TYR 261 261 10017 1 . ALA 262 262 10017 1 . ASP 263 263 10017 1 . MET 264 264 10017 1 . TRP 265 265 10017 1 . GLN 266 266 10017 1 . LEU 267 267 10017 1 . GLN 268 268 10017 1 . GLN 269 269 10017 1 . GLY 270 270 10017 1 . GLN 271 271 10017 1 . GLU 272 272 10017 1 . GLU 273 273 10017 1 . THR 274 274 10017 1 . SER 275 275 10017 1 . GLU 276 276 10017 1 . ASP 277 277 10017 1 . THR 278 278 10017 1 . LYS 279 279 10017 1 . PRO 280 280 10017 1 . GLN 281 281 10017 1 . THR 282 282 10017 1 . MET 283 283 10017 1 . GLU 284 284 10017 1 . ARG 285 285 10017 1 stop_ save_ save_ADP _Entity.Sf_category entity _Entity.Sf_framecode ADP _Entity.Entry_ID 10017 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ADP . 10017 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10017 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ABCB6-C . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . mitochondria . . . . . . . . . . . 10017 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10017 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ABCB6-C . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10017 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 10017 _Chem_comp.ID ADP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 14:54:14 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 10017 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10017 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 10017 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 10017 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 10017 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 10017 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 10017 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10017 ADP 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 10017 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 10017 ADP O1B . O1B . . O . . N 0 . . . . no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 10017 ADP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 10017 ADP O3B . O3B . . O . . N 0 . . . . no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 10017 ADP PA . PA . . P . . S 0 . . . . no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 10017 ADP O1A . O1A . . O . . N 0 . . . . no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 10017 ADP O2A . O2A . . O . . N 0 . . . . no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 10017 ADP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 10017 ADP O5' . O5' . . O . . N 0 . . . . no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 10017 ADP C5' . C5' . . C . . N 0 . . . . no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 10017 ADP C4' . C4' . . C . . R 0 . . . . no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 10017 ADP O4' . O4' . . O . . N 0 . . . . no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 10017 ADP C3' . C3' . . C . . S 0 . . . . no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 10017 ADP O3' . O3' . . O . . N 0 . . . . no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 10017 ADP C2' . C2' . . C . . R 0 . . . . no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 10017 ADP O2' . O2' . . O . . N 0 . . . . no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 10017 ADP C1' . C1' . . C . . R 0 . . . . no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 10017 ADP N9 . N9 . . N . . N 0 . . . . yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 10017 ADP C8 . C8 . . C . . N 0 . . . . yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 10017 ADP N7 . N7 . . N . . N 0 . . . . yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 10017 ADP C5 . C5 . . C . . N 0 . . . . yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 10017 ADP C6 . C6 . . C . . N 0 . . . . yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 10017 ADP N6 . N6 . . N . . N 0 . . . . no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 10017 ADP N1 . N1 . . N . . N 0 . . . . yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 10017 ADP C2 . C2 . . C . . N 0 . . . . yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 10017 ADP N3 . N3 . . N . . N 0 . . . . yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 10017 ADP C4 . C4 . . C . . N 0 . . . . yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 10017 ADP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 10017 ADP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 10017 ADP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 10017 ADP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 10017 ADP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 10017 ADP H4' . H4' . . H . . N 0 . . . . no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 10017 ADP H3' . H3' . . H . . N 0 . . . . no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 10017 ADP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 10017 ADP H2' . H2' . . H . . N 0 . . . . no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 10017 ADP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 10017 ADP H1' . H1' . . H . . N 0 . . . . no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 10017 ADP H8 . H8 . . H . . N 0 . . . . no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 10017 ADP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 10017 ADP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 10017 ADP H2 . H2 . . H . . N 0 . . . . no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 10017 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 10017 ADP 2 . SING PB O2B no N 2 . 10017 ADP 3 . SING PB O3B no N 3 . 10017 ADP 4 . SING PB O3A no N 4 . 10017 ADP 5 . SING O2B HOB2 no N 5 . 10017 ADP 6 . SING O3B HOB3 no N 6 . 10017 ADP 7 . DOUB PA O1A no N 7 . 10017 ADP 8 . SING PA O2A no N 8 . 10017 ADP 9 . SING PA O3A no N 9 . 10017 ADP 10 . SING PA O5' no N 10 . 10017 ADP 11 . SING O2A HOA2 no N 11 . 10017 ADP 12 . SING O5' C5' no N 12 . 10017 ADP 13 . SING C5' C4' no N 13 . 10017 ADP 14 . SING C5' H5'1 no N 14 . 10017 ADP 15 . SING C5' H5'2 no N 15 . 10017 ADP 16 . SING C4' O4' no N 16 . 10017 ADP 17 . SING C4' C3' no N 17 . 10017 ADP 18 . SING C4' H4' no N 18 . 10017 ADP 19 . SING O4' C1' no N 19 . 10017 ADP 20 . SING C3' O3' no N 20 . 10017 ADP 21 . SING C3' C2' no N 21 . 10017 ADP 22 . SING C3' H3' no N 22 . 10017 ADP 23 . SING O3' HO3' no N 23 . 10017 ADP 24 . SING C2' O2' no N 24 . 10017 ADP 25 . SING C2' C1' no N 25 . 10017 ADP 26 . SING C2' H2' no N 26 . 10017 ADP 27 . SING O2' HO2' no N 27 . 10017 ADP 28 . SING C1' N9 no N 28 . 10017 ADP 29 . SING C1' H1' no N 29 . 10017 ADP 30 . SING N9 C8 yes N 30 . 10017 ADP 31 . SING N9 C4 yes N 31 . 10017 ADP 32 . DOUB C8 N7 yes N 32 . 10017 ADP 33 . SING C8 H8 no N 33 . 10017 ADP 34 . SING N7 C5 yes N 34 . 10017 ADP 35 . SING C5 C6 yes N 35 . 10017 ADP 36 . DOUB C5 C4 yes N 36 . 10017 ADP 37 . SING C6 N6 no N 37 . 10017 ADP 38 . DOUB C6 N1 yes N 38 . 10017 ADP 39 . SING N6 HN61 no N 39 . 10017 ADP 40 . SING N6 HN62 no N 40 . 10017 ADP 41 . SING N1 C2 yes N 41 . 10017 ADP 42 . DOUB C2 N3 yes N 42 . 10017 ADP 43 . SING C2 H2 no N 43 . 10017 ADP 44 . SING N3 C4 yes N 44 . 10017 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10017 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human ABCB6-C in the ADP-bound form' '[U-2H; U-13C; U-15N]' . . 1 $ABCB6-C . protein 0.2 . . mM . . . . 10017 1 2 ADP . . . 2 $ADP . additive 5 . . mM . . . . 10017 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10017 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.5 0.1 pH 10017 1 temperature 298 0.1 K 10017 1 stop_ save_ save_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_2 _Sample_condition_list.Entry_ID 10017 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 10017 2 temperature 278 0.1 K 10017 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10017 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10017 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10017 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10017 _Software.ID 2 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wayne Boucher & Dept. Biochemistry, Univ. Cambridge' . . 10017 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10017 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10017 _Software.ID 3 _Software.Name ANSIG-for-OpenGL _Software.Version 1.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Per Kraulis' . . 10017 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 10017 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10017 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 2 TROSY-HNCA no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 3 TROSY-HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 4 TROSY-HN(CA)CB no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 5 TROSY-HN(COCA)CB no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 6 TROSY-HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 7 TRSOY-HNCO no . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10017 1 stop_ save_ save_1H-15N_TROSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_TROSY-HSQC _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HNCA _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CO)CA _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CA)CB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CA)CB _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(COCA)CB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(COCA)CB _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CA)CO _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TROSY-HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TRSOY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TRSOY-HNCO _NMR_spec_expt.Entry_ID 10017 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TRSOY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10017 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10017 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10017 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10017 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_ph85_298K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ph85_298K _Assigned_chem_shift_list.Entry_ID 10017 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY-HSQC' 1 $sample_1 isotropic 10017 1 2 TROSY-HNCA 1 $sample_1 isotropic 10017 1 3 TROSY-HN(CO)CA 1 $sample_1 isotropic 10017 1 4 TROSY-HN(CA)CB 1 $sample_1 isotropic 10017 1 5 TROSY-HN(COCA)CB 1 $sample_1 isotropic 10017 1 6 TROSY-HN(CA)CO 1 $sample_1 isotropic 10017 1 7 TRSOY-HNCO 1 $sample_1 isotropic 10017 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 10017 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 GLU C C 13 176.21 0.02 . 1 . . . . 571 GLU C . 10017 1 2 . 1 1 14 14 GLU CA C 13 55.95 0.1 . 1 . . . . 571 GLU CA . 10017 1 3 . 1 1 14 14 GLU CB C 13 29.44 0.02 . 1 . . . . 571 GLU CB . 10017 1 4 . 1 1 15 15 THR H H 1 8.04 0.02 . 1 . . . . 572 THR H . 10017 1 5 . 1 1 15 15 THR C C 13 173.86 0.02 . 1 . . . . 572 THR C . 10017 1 6 . 1 1 15 15 THR CA C 13 60.68 0.13 . 1 . . . . 572 THR CA . 10017 1 7 . 1 1 15 15 THR CB C 13 69.18 0.1 . 1 . . . . 572 THR CB . 10017 1 8 . 1 1 15 15 THR N N 15 117.21 0.17 . 1 . . . . 572 THR N . 10017 1 9 . 1 1 16 16 GLU H H 1 8.42 0.03 . 1 . . . . 573 GLU H . 10017 1 10 . 1 1 16 16 GLU C C 13 176.19 0.03 . 1 . . . . 573 GLU C . 10017 1 11 . 1 1 16 16 GLU CA C 13 55.92 0.04 . 1 . . . . 573 GLU CA . 10017 1 12 . 1 1 16 16 GLU CB C 13 29.95 0.09 . 1 . . . . 573 GLU CB . 10017 1 13 . 1 1 16 16 GLU N N 15 125.29 0.19 . 1 . . . . 573 GLU N . 10017 1 14 . 1 1 17 17 VAL H H 1 8 0.02 . 1 . . . . 574 VAL H . 10017 1 15 . 1 1 17 17 VAL C C 13 175.5 0.03 . 1 . . . . 574 VAL C . 10017 1 16 . 1 1 17 17 VAL CA C 13 61.86 0.03 . 1 . . . . 574 VAL CA . 10017 1 17 . 1 1 17 17 VAL CB C 13 31.08 0.05 . 1 . . . . 574 VAL CB . 10017 1 18 . 1 1 17 17 VAL N N 15 124.18 0.13 . 1 . . . . 574 VAL N . 10017 1 19 . 1 1 18 18 LYS H H 1 8.68 0.02 . 1 . . . . 575 LYS H . 10017 1 20 . 1 1 18 18 LYS C C 13 176.99 0.02 . 1 . . . . 575 LYS C . 10017 1 21 . 1 1 18 18 LYS CA C 13 53.84 0.02 . 1 . . . . 575 LYS CA . 10017 1 22 . 1 1 18 18 LYS CB C 13 33.59 0.02 . 1 . . . . 575 LYS CB . 10017 1 23 . 1 1 18 18 LYS N N 15 127.49 0.19 . 1 . . . . 575 LYS N . 10017 1 24 . 1 1 19 19 ASP H H 1 8.54 0.02 . 1 . . . . 576 ASP H . 10017 1 25 . 1 1 19 19 ASP C C 13 176.89 0.03 . 1 . . . . 576 ASP C . 10017 1 26 . 1 1 19 19 ASP CA C 13 53.12 0.09 . 1 . . . . 576 ASP CA . 10017 1 27 . 1 1 19 19 ASP CB C 13 39.87 0.07 . 1 . . . . 576 ASP CB . 10017 1 28 . 1 1 19 19 ASP N N 15 125.2 0.15 . 1 . . . . 576 ASP N . 10017 1 29 . 1 1 20 20 LEU H H 1 8.88 0.02 . 1 . . . . 577 LEU H . 10017 1 30 . 1 1 20 20 LEU C C 13 175.81 0.02 . 1 . . . . 577 LEU C . 10017 1 31 . 1 1 20 20 LEU CA C 13 52.84 0.02 . 1 . . . . 577 LEU CA . 10017 1 32 . 1 1 20 20 LEU CB C 13 40 0.02 . 1 . . . . 577 LEU CB . 10017 1 33 . 1 1 20 20 LEU N N 15 128.01 0.09 . 1 . . . . 577 LEU N . 10017 1 34 . 1 1 21 21 PRO C C 13 178.03 0.02 . 1 . . . . 578 PRO C . 10017 1 35 . 1 1 21 21 PRO CA C 13 63.71 0.02 . 1 . . . . 578 PRO CA . 10017 1 36 . 1 1 22 22 GLY H H 1 8.63 0.02 . 1 . . . . 579 GLY H . 10017 1 37 . 1 1 22 22 GLY C C 13 174.28 0.02 . 1 . . . . 579 GLY C . 10017 1 38 . 1 1 22 22 GLY CA C 13 44.51 0.13 . 1 . . . . 579 GLY CA . 10017 1 39 . 1 1 22 22 GLY N N 15 113.75 0.05 . 1 . . . . 579 GLY N . 10017 1 40 . 1 1 23 23 ALA H H 1 7.56 0.02 . 1 . . . . 580 ALA H . 10017 1 41 . 1 1 23 23 ALA C C 13 177.13 0.05 . 1 . . . . 580 ALA C . 10017 1 42 . 1 1 23 23 ALA CA C 13 52.74 0.04 . 1 . . . . 580 ALA CA . 10017 1 43 . 1 1 23 23 ALA CB C 13 18.59 0.22 . 1 . . . . 580 ALA CB . 10017 1 44 . 1 1 23 23 ALA N N 15 124.91 0.08 . 1 . . . . 580 ALA N . 10017 1 45 . 1 1 24 24 GLY H H 1 8.43 0.02 . 1 . . . . 581 GLY H . 10017 1 46 . 1 1 24 24 GLY C C 13 171.08 0.02 . 1 . . . . 581 GLY C . 10017 1 47 . 1 1 24 24 GLY CA C 13 42.6 0.02 . 1 . . . . 581 GLY CA . 10017 1 48 . 1 1 24 24 GLY N N 15 112.49 0.12 . 1 . . . . 581 GLY N . 10017 1 49 . 1 1 25 25 PRO C C 13 177.79 0.02 . 1 . . . . 582 PRO C . 10017 1 50 . 1 1 25 25 PRO CA C 13 61.15 0.02 . 1 . . . . 582 PRO CA . 10017 1 51 . 1 1 26 26 LEU H H 1 8.68 0.02 . 1 . . . . 583 LEU H . 10017 1 52 . 1 1 26 26 LEU C C 13 175.57 0.05 . 1 . . . . 583 LEU C . 10017 1 53 . 1 1 26 26 LEU CA C 13 54.96 0.23 . 1 . . . . 583 LEU CA . 10017 1 54 . 1 1 26 26 LEU CB C 13 41.58 0.03 . 1 . . . . 583 LEU CB . 10017 1 55 . 1 1 26 26 LEU N N 15 123.65 0.18 . 1 . . . . 583 LEU N . 10017 1 56 . 1 1 27 27 ARG H H 1 9.46 0.02 . 1 . . . . 584 ARG H . 10017 1 57 . 1 1 27 27 ARG C C 13 175.06 0.02 . 1 . . . . 584 ARG C . 10017 1 58 . 1 1 27 27 ARG CA C 13 53.99 0.12 . 1 . . . . 584 ARG CA . 10017 1 59 . 1 1 27 27 ARG CB C 13 27.08 0.36 . 1 . . . . 584 ARG CB . 10017 1 60 . 1 1 27 27 ARG N N 15 132.68 0.18 . 1 . . . . 584 ARG N . 10017 1 61 . 1 1 28 28 PHE H H 1 8.32 0.02 . 1 . . . . 585 PHE H . 10017 1 62 . 1 1 28 28 PHE C C 13 174.98 0.09 . 1 . . . . 585 PHE C . 10017 1 63 . 1 1 28 28 PHE CA C 13 59.09 0.11 . 1 . . . . 585 PHE CA . 10017 1 64 . 1 1 28 28 PHE CB C 13 38.58 0.25 . 1 . . . . 585 PHE CB . 10017 1 65 . 1 1 28 28 PHE N N 15 130.07 0.15 . 1 . . . . 585 PHE N . 10017 1 66 . 1 1 29 29 GLN H H 1 8.52 0.02 . 1 . . . . 586 GLN H . 10017 1 67 . 1 1 29 29 GLN C C 13 173.69 0.09 . 1 . . . . 586 GLN C . 10017 1 68 . 1 1 29 29 GLN CA C 13 55.59 0.14 . 1 . . . . 586 GLN CA . 10017 1 69 . 1 1 29 29 GLN CB C 13 29.02 0.28 . 1 . . . . 586 GLN CB . 10017 1 70 . 1 1 29 29 GLN N N 15 131.38 0.18 . 1 . . . . 586 GLN N . 10017 1 71 . 1 1 30 30 LYS H H 1 7.87 0.02 . 1 . . . . 587 LYS H . 10017 1 72 . 1 1 30 30 LYS C C 13 175.59 0.02 . 1 . . . . 587 LYS C . 10017 1 73 . 1 1 30 30 LYS CA C 13 55.16 0.04 . 1 . . . . 587 LYS CA . 10017 1 74 . 1 1 30 30 LYS CB C 13 34.14 0.02 . 1 . . . . 587 LYS CB . 10017 1 75 . 1 1 30 30 LYS N N 15 119.26 0.17 . 1 . . . . 587 LYS N . 10017 1 76 . 1 1 31 31 GLY H H 1 9.47 0.02 . 1 . . . . 588 GLY H . 10017 1 77 . 1 1 31 31 GLY C C 13 173.36 0.02 . 1 . . . . 588 GLY C . 10017 1 78 . 1 1 31 31 GLY CA C 13 46.91 0.02 . 1 . . . . 588 GLY CA . 10017 1 79 . 1 1 31 31 GLY N N 15 115.41 0.1 . 1 . . . . 588 GLY N . 10017 1 80 . 1 1 32 32 ARG H H 1 8.82 0.02 . 1 . . . . 589 ARG H . 10017 1 81 . 1 1 32 32 ARG C C 13 176.11 0.02 . 1 . . . . 589 ARG C . 10017 1 82 . 1 1 32 32 ARG CA C 13 55.16 0.17 . 1 . . . . 589 ARG CA . 10017 1 83 . 1 1 32 32 ARG CB C 13 30.59 0.52 . 1 . . . . 589 ARG CB . 10017 1 84 . 1 1 32 32 ARG N N 15 126.18 0.17 . 1 . . . . 589 ARG N . 10017 1 85 . 1 1 33 33 ILE H H 1 8.87 0.02 . 1 . . . . 590 ILE H . 10017 1 86 . 1 1 33 33 ILE C C 13 174.56 0.05 . 1 . . . . 590 ILE C . 10017 1 87 . 1 1 33 33 ILE CA C 13 60.11 0.09 . 1 . . . . 590 ILE CA . 10017 1 88 . 1 1 33 33 ILE CB C 13 40.67 0.37 . 1 . . . . 590 ILE CB . 10017 1 89 . 1 1 33 33 ILE N N 15 130.6 0.14 . 1 . . . . 590 ILE N . 10017 1 90 . 1 1 34 34 GLU H H 1 9.22 0.02 . 1 . . . . 591 GLU H . 10017 1 91 . 1 1 34 34 GLU C C 13 173.99 0.03 . 1 . . . . 591 GLU C . 10017 1 92 . 1 1 34 34 GLU CA C 13 54.36 0.02 . 1 . . . . 591 GLU CA . 10017 1 93 . 1 1 34 34 GLU CB C 13 33.29 0.27 . 1 . . . . 591 GLU CB . 10017 1 94 . 1 1 34 34 GLU N N 15 127.49 0.09 . 1 . . . . 591 GLU N . 10017 1 95 . 1 1 35 35 PHE H H 1 9.06 0.02 . 1 . . . . 592 PHE H . 10017 1 96 . 1 1 35 35 PHE C C 13 175.05 0.03 . 1 . . . . 592 PHE C . 10017 1 97 . 1 1 35 35 PHE CA C 13 56.19 0.1 . 1 . . . . 592 PHE CA . 10017 1 98 . 1 1 35 35 PHE CB C 13 38.24 0.53 . 1 . . . . 592 PHE CB . 10017 1 99 . 1 1 35 35 PHE N N 15 128.86 0.08 . 1 . . . . 592 PHE N . 10017 1 100 . 1 1 36 36 GLU H H 1 9.29 0.02 . 1 . . . . 593 GLU H . 10017 1 101 . 1 1 36 36 GLU C C 13 172.66 0.06 . 1 . . . . 593 GLU C . 10017 1 102 . 1 1 36 36 GLU CA C 13 54.38 0.1 . 1 . . . . 593 GLU CA . 10017 1 103 . 1 1 36 36 GLU CB C 13 30.96 0.43 . 1 . . . . 593 GLU CB . 10017 1 104 . 1 1 36 36 GLU N N 15 129.13 0.12 . 1 . . . . 593 GLU N . 10017 1 105 . 1 1 37 37 ASN H H 1 8.95 0.02 . 1 . . . . 594 ASN H . 10017 1 106 . 1 1 37 37 ASN C C 13 174.08 0.02 . 1 . . . . 594 ASN C . 10017 1 107 . 1 1 37 37 ASN CA C 13 54.13 0.14 . 1 . . . . 594 ASN CA . 10017 1 108 . 1 1 37 37 ASN CB C 13 37.08 0.06 . 1 . . . . 594 ASN CB . 10017 1 109 . 1 1 37 37 ASN N N 15 125.34 0.22 . 1 . . . . 594 ASN N . 10017 1 110 . 1 1 38 38 VAL H H 1 8.56 0.03 . 1 . . . . 595 VAL H . 10017 1 111 . 1 1 38 38 VAL C C 13 177.09 0.02 . 1 . . . . 595 VAL C . 10017 1 112 . 1 1 38 38 VAL CA C 13 64.67 0.06 . 1 . . . . 595 VAL CA . 10017 1 113 . 1 1 38 38 VAL CB C 13 31.58 0.31 . 1 . . . . 595 VAL CB . 10017 1 114 . 1 1 38 38 VAL N N 15 121.55 0.17 . 1 . . . . 595 VAL N . 10017 1 115 . 1 1 39 39 HIS H H 1 8.22 0.02 . 1 . . . . 596 HIS H . 10017 1 116 . 1 1 39 39 HIS C C 13 173.87 0.04 . 1 . . . . 596 HIS C . 10017 1 117 . 1 1 39 39 HIS CA C 13 53.81 0.13 . 1 . . . . 596 HIS CA . 10017 1 118 . 1 1 39 39 HIS CB C 13 31.34 0.15 . 1 . . . . 596 HIS CB . 10017 1 119 . 1 1 39 39 HIS N N 15 126.23 0.27 . 1 . . . . 596 HIS N . 10017 1 120 . 1 1 40 40 PHE H H 1 8.39 0.02 . 1 . . . . 597 PHE H . 10017 1 121 . 1 1 40 40 PHE C C 13 172.4 0.06 . 1 . . . . 597 PHE C . 10017 1 122 . 1 1 40 40 PHE CA C 13 57.87 0.02 . 1 . . . . 597 PHE CA . 10017 1 123 . 1 1 40 40 PHE CB C 13 43.63 0.28 . 1 . . . . 597 PHE CB . 10017 1 124 . 1 1 40 40 PHE N N 15 122.76 0.12 . 1 . . . . 597 PHE N . 10017 1 125 . 1 1 41 41 SER H H 1 7.19 0.02 . 1 . . . . 598 SER H . 10017 1 126 . 1 1 41 41 SER C C 13 172.09 0.16 . 1 . . . . 598 SER C . 10017 1 127 . 1 1 41 41 SER CA C 13 56.26 0.13 . 1 . . . . 598 SER CA . 10017 1 128 . 1 1 41 41 SER CB C 13 65.04 0.02 . 1 . . . . 598 SER CB . 10017 1 129 . 1 1 41 41 SER N N 15 124.84 0.12 . 1 . . . . 598 SER N . 10017 1 130 . 1 1 42 42 TYR H H 1 7.47 0.02 . 1 . . . . 599 TYR H . 10017 1 131 . 1 1 42 42 TYR C C 13 176.04 0.02 . 1 . . . . 599 TYR C . 10017 1 132 . 1 1 42 42 TYR CA C 13 60.56 0.05 . 1 . . . . 599 TYR CA . 10017 1 133 . 1 1 42 42 TYR N N 15 124.49 0.07 . 1 . . . . 599 TYR N . 10017 1 134 . 1 1 43 43 ALA H H 1 8.09 0.02 . 1 . . . . 600 ALA H . 10017 1 135 . 1 1 43 43 ALA C C 13 176.2 0.03 . 1 . . . . 600 ALA C . 10017 1 136 . 1 1 43 43 ALA CA C 13 51.35 0.32 . 1 . . . . 600 ALA CA . 10017 1 137 . 1 1 43 43 ALA CB C 13 20.06 0.45 . 1 . . . . 600 ALA CB . 10017 1 138 . 1 1 43 43 ALA N N 15 122.52 0.08 . 1 . . . . 600 ALA N . 10017 1 139 . 1 1 44 44 ASP H H 1 8.21 0.02 . 1 . . . . 601 ASP H . 10017 1 140 . 1 1 44 44 ASP C C 13 176.71 0.03 . 1 . . . . 601 ASP C . 10017 1 141 . 1 1 44 44 ASP CA C 13 54.69 0.02 . 1 . . . . 601 ASP CA . 10017 1 142 . 1 1 44 44 ASP CB C 13 39.78 0.11 . 1 . . . . 601 ASP CB . 10017 1 143 . 1 1 44 44 ASP N N 15 120.22 0.14 . 1 . . . . 601 ASP N . 10017 1 144 . 1 1 45 45 GLY H H 1 8.28 0.02 . 1 . . . . 602 GLY H . 10017 1 145 . 1 1 45 45 GLY C C 13 173.76 0.05 . 1 . . . . 602 GLY C . 10017 1 146 . 1 1 45 45 GLY CA C 13 44.56 0.02 . 1 . . . . 602 GLY CA . 10017 1 147 . 1 1 45 45 GLY N N 15 112.04 0.12 . 1 . . . . 602 GLY N . 10017 1 148 . 1 1 46 46 ARG H H 1 7.75 0.02 . 1 . . . . 603 ARG H . 10017 1 149 . 1 1 46 46 ARG C C 13 175.42 0.02 . 1 . . . . 603 ARG C . 10017 1 150 . 1 1 46 46 ARG CA C 13 54.87 0.08 . 1 . . . . 603 ARG CA . 10017 1 151 . 1 1 46 46 ARG CB C 13 29.75 0.02 . 1 . . . . 603 ARG CB . 10017 1 152 . 1 1 46 46 ARG N N 15 123.47 0.16 . 1 . . . . 603 ARG N . 10017 1 153 . 1 1 47 47 GLU H H 1 8.7 0.02 . 1 . . . . 604 GLU H . 10017 1 154 . 1 1 47 47 GLU C C 13 176.52 0.02 . 1 . . . . 604 GLU C . 10017 1 155 . 1 1 47 47 GLU CA C 13 56.67 0.02 . 1 . . . . 604 GLU CA . 10017 1 156 . 1 1 47 47 GLU CB C 13 29.42 0.02 . 1 . . . . 604 GLU CB . 10017 1 157 . 1 1 47 47 GLU N N 15 127.61 0.14 . 1 . . . . 604 GLU N . 10017 1 158 . 1 1 49 49 LEU C C 13 176.09 0.02 . 1 . . . . 606 LEU C . 10017 1 159 . 1 1 49 49 LEU CA C 13 52.99 0.02 . 1 . . . . 606 LEU CA . 10017 1 160 . 1 1 49 49 LEU CB C 13 44.27 0.02 . 1 . . . . 606 LEU CB . 10017 1 161 . 1 1 50 50 GLN H H 1 8.6 0.02 . 1 . . . . 607 GLN H . 10017 1 162 . 1 1 50 50 GLN C C 13 172.47 0.02 . 1 . . . . 607 GLN C . 10017 1 163 . 1 1 50 50 GLN CA C 13 53.97 0.02 . 1 . . . . 607 GLN CA . 10017 1 164 . 1 1 50 50 GLN CB C 13 30.73 0.02 . 1 . . . . 607 GLN CB . 10017 1 165 . 1 1 50 50 GLN N N 15 123.14 0.2 . 1 . . . . 607 GLN N . 10017 1 166 . 1 1 51 51 ASP C C 13 173.69 0.02 . 1 . . . . 608 ASP C . 10017 1 167 . 1 1 51 51 ASP CA C 13 54.85 0.02 . 1 . . . . 608 ASP CA . 10017 1 168 . 1 1 51 51 ASP CB C 13 39.78 0.02 . 1 . . . . 608 ASP CB . 10017 1 169 . 1 1 52 52 VAL H H 1 8.87 0.04 . 1 . . . . 609 VAL H . 10017 1 170 . 1 1 52 52 VAL C C 13 175.72 0.02 . 1 . . . . 609 VAL C . 10017 1 171 . 1 1 52 52 VAL CA C 13 63.7 0.02 . 1 . . . . 609 VAL CA . 10017 1 172 . 1 1 52 52 VAL CB C 13 31.6 0.14 . 1 . . . . 609 VAL CB . 10017 1 173 . 1 1 52 52 VAL N N 15 123.49 0.14 . 1 . . . . 609 VAL N . 10017 1 174 . 1 1 53 53 SER H H 1 7.89 0.02 . 1 . . . . 610 SER H . 10017 1 175 . 1 1 53 53 SER C C 13 173.14 0.02 . 1 . . . . 610 SER C . 10017 1 176 . 1 1 53 53 SER CA C 13 56 0.02 . 1 . . . . 610 SER CA . 10017 1 177 . 1 1 53 53 SER CB C 13 65.79 0.05 . 1 . . . . 610 SER CB . 10017 1 178 . 1 1 53 53 SER N N 15 125.6 0.33 . 1 . . . . 610 SER N . 10017 1 179 . 1 1 54 54 PHE H H 1 8.52 0.02 . 1 . . . . 611 PHE H . 10017 1 180 . 1 1 54 54 PHE C C 13 172.64 0.06 . 1 . . . . 611 PHE C . 10017 1 181 . 1 1 54 54 PHE CA C 13 57.41 0.02 . 1 . . . . 611 PHE CA . 10017 1 182 . 1 1 54 54 PHE CB C 13 38.79 0.03 . 1 . . . . 611 PHE CB . 10017 1 183 . 1 1 54 54 PHE N N 15 119.54 0.12 . 1 . . . . 611 PHE N . 10017 1 184 . 1 1 55 55 THR H H 1 8.77 0.02 . 1 . . . . 612 THR H . 10017 1 185 . 1 1 55 55 THR C C 13 173.29 0.02 . 1 . . . . 612 THR C . 10017 1 186 . 1 1 55 55 THR CA C 13 60.82 0.11 . 1 . . . . 612 THR CA . 10017 1 187 . 1 1 55 55 THR CB C 13 71.59 0.23 . 1 . . . . 612 THR CB . 10017 1 188 . 1 1 55 55 THR N N 15 118.4 0.14 . 1 . . . . 612 THR N . 10017 1 189 . 1 1 56 56 VAL H H 1 9.65 0.02 . 1 . . . . 613 VAL H . 10017 1 190 . 1 1 56 56 VAL C C 13 175.01 0.05 . 1 . . . . 613 VAL C . 10017 1 191 . 1 1 56 56 VAL CA C 13 60.94 0.07 . 1 . . . . 613 VAL CA . 10017 1 192 . 1 1 56 56 VAL CB C 13 32.1 0.39 . 1 . . . . 613 VAL CB . 10017 1 193 . 1 1 56 56 VAL N N 15 129.49 0.16 . 1 . . . . 613 VAL N . 10017 1 194 . 1 1 57 57 MET H H 1 8.24 0.02 . 1 . . . . 614 MET H . 10017 1 195 . 1 1 57 57 MET C C 13 173 0.02 . 1 . . . . 614 MET C . 10017 1 196 . 1 1 57 57 MET CA C 13 52.17 0.02 . 1 . . . . 614 MET CA . 10017 1 197 . 1 1 57 57 MET N N 15 126.78 0.21 . 1 . . . . 614 MET N . 10017 1 198 . 1 1 58 58 PRO C C 13 178.21 0.02 . 1 . . . . 615 PRO C . 10017 1 199 . 1 1 58 58 PRO CA C 13 63.08 0.13 . 1 . . . . 615 PRO CA . 10017 1 200 . 1 1 58 58 PRO CB C 13 30.39 0.02 . 1 . . . . 615 PRO CB . 10017 1 201 . 1 1 59 59 GLY H H 1 8.49 0.02 . 1 . . . . 616 GLY H . 10017 1 202 . 1 1 59 59 GLY C C 13 173.8 0.05 . 1 . . . . 616 GLY C . 10017 1 203 . 1 1 59 59 GLY CA C 13 44.65 0.18 . 1 . . . . 616 GLY CA . 10017 1 204 . 1 1 59 59 GLY N N 15 114.2 0.25 . 1 . . . . 616 GLY N . 10017 1 205 . 1 1 60 60 GLN H H 1 7.98 0.02 . 1 . . . . 617 GLN H . 10017 1 206 . 1 1 60 60 GLN C C 13 174.33 0.02 . 1 . . . . 617 GLN C . 10017 1 207 . 1 1 60 60 GLN CA C 13 55.41 0.1 . 1 . . . . 617 GLN CA . 10017 1 208 . 1 1 60 60 GLN CB C 13 29.26 0.48 . 1 . . . . 617 GLN CB . 10017 1 209 . 1 1 60 60 GLN N N 15 121.97 0.13 . 1 . . . . 617 GLN N . 10017 1 210 . 1 1 61 61 THR H H 1 9.21 0.02 . 1 . . . . 618 THR H . 10017 1 211 . 1 1 61 61 THR C C 13 173.67 0.15 . 1 . . . . 618 THR C . 10017 1 212 . 1 1 61 61 THR CA C 13 61.34 0.06 . 1 . . . . 618 THR CA . 10017 1 213 . 1 1 61 61 THR CB C 13 70.19 0.42 . 1 . . . . 618 THR CB . 10017 1 214 . 1 1 61 61 THR N N 15 116.5 0.2 . 1 . . . . 618 THR N . 10017 1 215 . 1 1 62 62 LEU H H 1 8.96 0.02 . 1 . . . . 619 LEU H . 10017 1 216 . 1 1 62 62 LEU C C 13 173.7 0.02 . 1 . . . . 619 LEU C . 10017 1 217 . 1 1 62 62 LEU CA C 13 52.31 0.05 . 1 . . . . 619 LEU CA . 10017 1 218 . 1 1 62 62 LEU CB C 13 44.46 0.2 . 1 . . . . 619 LEU CB . 10017 1 219 . 1 1 62 62 LEU N N 15 132.99 0.33 . 1 . . . . 619 LEU N . 10017 1 220 . 1 1 63 63 ALA H H 1 8.97 0.02 . 1 . . . . 620 ALA H . 10017 1 221 . 1 1 63 63 ALA C C 13 174.93 0.03 . 1 . . . . 620 ALA C . 10017 1 222 . 1 1 63 63 ALA CA C 13 48.58 0.02 . 1 . . . . 620 ALA CA . 10017 1 223 . 1 1 63 63 ALA CB C 13 21.6 0.18 . 1 . . . . 620 ALA CB . 10017 1 224 . 1 1 63 63 ALA N N 15 130.45 0.11 . 1 . . . . 620 ALA N . 10017 1 225 . 1 1 64 64 LEU H H 1 8.95 0.02 . 1 . . . . 621 LEU H . 10017 1 226 . 1 1 64 64 LEU C C 13 175.09 0.13 . 1 . . . . 621 LEU C . 10017 1 227 . 1 1 64 64 LEU CA C 13 52.6 0.02 . 1 . . . . 621 LEU CA . 10017 1 228 . 1 1 64 64 LEU CB C 13 42.87 0.02 . 1 . . . . 621 LEU CB . 10017 1 229 . 1 1 64 64 LEU N N 15 124.29 0.1 . 1 . . . . 621 LEU N . 10017 1 230 . 1 1 65 65 VAL H H 1 8.64 0.02 . 1 . . . . 622 VAL H . 10017 1 231 . 1 1 65 65 VAL C C 13 173.98 0.05 . 1 . . . . 622 VAL C . 10017 1 232 . 1 1 65 65 VAL CA C 13 57.51 0.02 . 1 . . . . 622 VAL CA . 10017 1 233 . 1 1 65 65 VAL CB C 13 34.67 0.06 . 1 . . . . 622 VAL CB . 10017 1 234 . 1 1 65 65 VAL N N 15 117.03 0.13 . 1 . . . . 622 VAL N . 10017 1 235 . 1 1 66 66 GLY H H 1 8.58 0.02 . 1 . . . . 623 GLY H . 10017 1 236 . 1 1 66 66 GLY C C 13 171.17 0.02 . 1 . . . . 623 GLY C . 10017 1 237 . 1 1 66 66 GLY CA C 13 44.05 0.02 . 1 . . . . 623 GLY CA . 10017 1 238 . 1 1 66 66 GLY N N 15 110.45 0.1 . 1 . . . . 623 GLY N . 10017 1 239 . 1 1 67 67 PRO C C 13 176.5 0.02 . 1 . . . . 624 PRO C . 10017 1 240 . 1 1 67 67 PRO CA C 13 62 0.02 . 1 . . . . 624 PRO CA . 10017 1 241 . 1 1 68 68 SER H H 1 8.57 0.02 . 1 . . . . 625 SER H . 10017 1 242 . 1 1 68 68 SER C C 13 175.96 0.08 . 1 . . . . 625 SER C . 10017 1 243 . 1 1 68 68 SER CA C 13 59.51 0.02 . 1 . . . . 625 SER CA . 10017 1 244 . 1 1 68 68 SER CB C 13 59.49 0.02 . 1 . . . . 625 SER CB . 10017 1 245 . 1 1 68 68 SER N N 15 118.63 0.17 . 1 . . . . 625 SER N . 10017 1 246 . 1 1 69 69 GLY H H 1 11.41 0.02 . 1 . . . . 626 GLY H . 10017 1 247 . 1 1 69 69 GLY C C 13 174.15 0.05 . 1 . . . . 626 GLY C . 10017 1 248 . 1 1 69 69 GLY CA C 13 44.9 0.02 . 1 . . . . 626 GLY CA . 10017 1 249 . 1 1 69 69 GLY N N 15 121.48 0.08 . 1 . . . . 626 GLY N . 10017 1 250 . 1 1 70 70 ALA H H 1 7.93 0.02 . 1 . . . . 627 ALA H . 10017 1 251 . 1 1 70 70 ALA C C 13 177.11 0.02 . 1 . . . . 627 ALA C . 10017 1 252 . 1 1 70 70 ALA CA C 13 54.41 0.02 . 1 . . . . 627 ALA CA . 10017 1 253 . 1 1 70 70 ALA CB C 13 20.02 0.02 . 1 . . . . 627 ALA CB . 10017 1 254 . 1 1 70 70 ALA N N 15 125.5 0.04 . 1 . . . . 627 ALA N . 10017 1 255 . 1 1 76 76 LEU CA C 13 55.35 0.02 . 1 . . . . 633 LEU CA . 10017 1 256 . 1 1 77 77 ARG H H 1 8.55 0.02 . 1 . . . . 634 ARG H . 10017 1 257 . 1 1 77 77 ARG C C 13 175.22 0.08 . 1 . . . . 634 ARG C . 10017 1 258 . 1 1 77 77 ARG CA C 13 57.64 0.19 . 1 . . . . 634 ARG CA . 10017 1 259 . 1 1 77 77 ARG CB C 13 31.63 0.02 . 1 . . . . 634 ARG CB . 10017 1 260 . 1 1 77 77 ARG N N 15 122.03 0.19 . 1 . . . . 634 ARG N . 10017 1 261 . 1 1 78 78 LEU H H 1 7.53 0.02 . 1 . . . . 635 LEU H . 10017 1 262 . 1 1 78 78 LEU C C 13 174.34 0.09 . 1 . . . . 635 LEU C . 10017 1 263 . 1 1 78 78 LEU CA C 13 52.16 0.09 . 1 . . . . 635 LEU CA . 10017 1 264 . 1 1 78 78 LEU CB C 13 41.77 0.02 . 1 . . . . 635 LEU CB . 10017 1 265 . 1 1 78 78 LEU N N 15 118.34 0.14 . 1 . . . . 635 LEU N . 10017 1 266 . 1 1 79 79 LEU H H 1 8.79 0.09 . 1 . . . . 636 LEU H . 10017 1 267 . 1 1 79 79 LEU C C 13 172.68 0.02 . 1 . . . . 636 LEU C . 10017 1 268 . 1 1 79 79 LEU CA C 13 55.66 0.02 . 1 . . . . 636 LEU CA . 10017 1 269 . 1 1 79 79 LEU N N 15 125.25 0.17 . 1 . . . . 636 LEU N . 10017 1 270 . 1 1 82 82 PHE C C 13 174.44 0.02 . 1 . . . . 639 PHE C . 10017 1 271 . 1 1 82 82 PHE CA C 13 53.13 0.02 . 1 . . . . 639 PHE CA . 10017 1 272 . 1 1 83 83 TYR H H 1 6.77 0.02 . 1 . . . . 640 TYR H . 10017 1 273 . 1 1 83 83 TYR C C 13 174.11 0.02 . 1 . . . . 640 TYR C . 10017 1 274 . 1 1 83 83 TYR CA C 13 53.91 0.02 . 1 . . . . 640 TYR CA . 10017 1 275 . 1 1 83 83 TYR N N 15 110.74 0.14 . 1 . . . . 640 TYR N . 10017 1 276 . 1 1 84 84 ASP H H 1 8.64 0.02 . 1 . . . . 641 ASP H . 10017 1 277 . 1 1 84 84 ASP C C 13 176.45 0.02 . 1 . . . . 641 ASP C . 10017 1 278 . 1 1 84 84 ASP CA C 13 53.7 0.07 . 1 . . . . 641 ASP CA . 10017 1 279 . 1 1 84 84 ASP CB C 13 42.33 0.27 . 1 . . . . 641 ASP CB . 10017 1 280 . 1 1 84 84 ASP N N 15 121.85 0.1 . 1 . . . . 641 ASP N . 10017 1 281 . 1 1 85 85 ILE H H 1 8.09 0.02 . 1 . . . . 642 ILE H . 10017 1 282 . 1 1 85 85 ILE C C 13 175.85 0.02 . 1 . . . . 642 ILE C . 10017 1 283 . 1 1 85 85 ILE CA C 13 61.02 0.02 . 1 . . . . 642 ILE CA . 10017 1 284 . 1 1 85 85 ILE CB C 13 37.33 0.02 . 1 . . . . 642 ILE CB . 10017 1 285 . 1 1 85 85 ILE N N 15 114.59 0.11 . 1 . . . . 642 ILE N . 10017 1 286 . 1 1 86 86 SER H H 1 8.53 0.02 . 1 . . . . 643 SER H . 10017 1 287 . 1 1 86 86 SER C C 13 174.93 0.07 . 1 . . . . 643 SER C . 10017 1 288 . 1 1 86 86 SER CA C 13 59.4 0.03 . 1 . . . . 643 SER CA . 10017 1 289 . 1 1 86 86 SER CB C 13 62.9 0.02 . 1 . . . . 643 SER CB . 10017 1 290 . 1 1 86 86 SER N N 15 118.67 0.18 . 1 . . . . 643 SER N . 10017 1 291 . 1 1 87 87 SER H H 1 7.67 0.02 . 1 . . . . 644 SER H . 10017 1 292 . 1 1 87 87 SER C C 13 172.28 0.09 . 1 . . . . 644 SER C . 10017 1 293 . 1 1 87 87 SER CA C 13 57.88 0.02 . 1 . . . . 644 SER CA . 10017 1 294 . 1 1 87 87 SER CB C 13 63.65 0.57 . 1 . . . . 644 SER CB . 10017 1 295 . 1 1 87 87 SER N N 15 115.82 0.16 . 1 . . . . 644 SER N . 10017 1 296 . 1 1 88 88 GLY H H 1 8.32 0.02 . 1 . . . . 645 GLY H . 10017 1 297 . 1 1 88 88 GLY C C 13 173.87 0.02 . 1 . . . . 645 GLY C . 10017 1 298 . 1 1 88 88 GLY CA C 13 44.15 0.05 . 1 . . . . 645 GLY CA . 10017 1 299 . 1 1 88 88 GLY N N 15 111.45 0.09 . 1 . . . . 645 GLY N . 10017 1 300 . 1 1 89 89 CYS H H 1 8.35 0.02 . 1 . . . . 646 CYS H . 10017 1 301 . 1 1 89 89 CYS C C 13 171.27 0.02 . 1 . . . . 646 CYS C . 10017 1 302 . 1 1 89 89 CYS CA C 13 58.78 0.02 . 1 . . . . 646 CYS CA . 10017 1 303 . 1 1 89 89 CYS CB C 13 30.09 0.11 . 1 . . . . 646 CYS CB . 10017 1 304 . 1 1 89 89 CYS N N 15 121.51 0.12 . 1 . . . . 646 CYS N . 10017 1 305 . 1 1 90 90 ILE H H 1 8.83 0.02 . 1 . . . . 647 ILE H . 10017 1 306 . 1 1 90 90 ILE C C 13 174.3 0.05 . 1 . . . . 647 ILE C . 10017 1 307 . 1 1 90 90 ILE CA C 13 59.77 0.09 . 1 . . . . 647 ILE CA . 10017 1 308 . 1 1 90 90 ILE CB C 13 38.74 0.28 . 1 . . . . 647 ILE CB . 10017 1 309 . 1 1 90 90 ILE N N 15 131.44 0.14 . 1 . . . . 647 ILE N . 10017 1 310 . 1 1 91 91 ARG H H 1 9.13 0.02 . 1 . . . . 648 ARG H . 10017 1 311 . 1 1 91 91 ARG C C 13 176.53 0.03 . 1 . . . . 648 ARG C . 10017 1 312 . 1 1 91 91 ARG CA C 13 52.88 0.21 . 1 . . . . 648 ARG CA . 10017 1 313 . 1 1 91 91 ARG CB C 13 34.48 0.14 . 1 . . . . 648 ARG CB . 10017 1 314 . 1 1 91 91 ARG N N 15 125.31 0.11 . 1 . . . . 648 ARG N . 10017 1 315 . 1 1 92 92 ILE H H 1 8.16 0.02 . 1 . . . . 649 ILE H . 10017 1 316 . 1 1 92 92 ILE C C 13 175.37 0.03 . 1 . . . . 649 ILE C . 10017 1 317 . 1 1 92 92 ILE CA C 13 59.08 0.11 . 1 . . . . 649 ILE CA . 10017 1 318 . 1 1 92 92 ILE CB C 13 39.23 0.02 . 1 . . . . 649 ILE CB . 10017 1 319 . 1 1 92 92 ILE N N 15 122.59 0.2 . 1 . . . . 649 ILE N . 10017 1 320 . 1 1 93 93 ASP H H 1 9.56 0.02 . 1 . . . . 650 ASP H . 10017 1 321 . 1 1 93 93 ASP C C 13 176.98 0.02 . 1 . . . . 650 ASP C . 10017 1 322 . 1 1 93 93 ASP CA C 13 55.92 0.28 . 1 . . . . 650 ASP CA . 10017 1 323 . 1 1 93 93 ASP CB C 13 39.2 0.02 . 1 . . . . 650 ASP CB . 10017 1 324 . 1 1 93 93 ASP N N 15 130.06 0.09 . 1 . . . . 650 ASP N . 10017 1 325 . 1 1 94 94 GLY H H 1 9.24 0.02 . 1 . . . . 651 GLY H . 10017 1 326 . 1 1 94 94 GLY C C 13 173.71 0.02 . 1 . . . . 651 GLY C . 10017 1 327 . 1 1 94 94 GLY CA C 13 44.83 0.02 . 1 . . . . 651 GLY CA . 10017 1 328 . 1 1 94 94 GLY N N 15 105.58 0.19 . 1 . . . . 651 GLY N . 10017 1 329 . 1 1 95 95 GLN H H 1 7.92 0.02 . 1 . . . . 652 GLN H . 10017 1 330 . 1 1 95 95 GLN C C 13 173.97 0.02 . 1 . . . . 652 GLN C . 10017 1 331 . 1 1 95 95 GLN CA C 13 54.29 0.11 . 1 . . . . 652 GLN CA . 10017 1 332 . 1 1 95 95 GLN CB C 13 29.57 0.06 . 1 . . . . 652 GLN CB . 10017 1 333 . 1 1 95 95 GLN N N 15 125.15 0.19 . 1 . . . . 652 GLN N . 10017 1 334 . 1 1 96 96 ASP H H 1 8.32 0.02 . 1 . . . . 653 ASP H . 10017 1 335 . 1 1 96 96 ASP C C 13 179.2 0.02 . 1 . . . . 653 ASP C . 10017 1 336 . 1 1 96 96 ASP CA C 13 52.88 0.02 . 1 . . . . 653 ASP CA . 10017 1 337 . 1 1 96 96 ASP CB C 13 39.75 0.14 . 1 . . . . 653 ASP CB . 10017 1 338 . 1 1 96 96 ASP N N 15 126.65 0.13 . 1 . . . . 653 ASP N . 10017 1 339 . 1 1 97 97 ILE H H 1 8.74 0.02 . 1 . . . . 654 ILE H . 10017 1 340 . 1 1 97 97 ILE C C 13 176.33 0.05 . 1 . . . . 654 ILE C . 10017 1 341 . 1 1 97 97 ILE CA C 13 63.92 0.1 . 1 . . . . 654 ILE CA . 10017 1 342 . 1 1 97 97 ILE CB C 13 36.27 0.02 . 1 . . . . 654 ILE CB . 10017 1 343 . 1 1 97 97 ILE N N 15 126.15 0.19 . 1 . . . . 654 ILE N . 10017 1 344 . 1 1 98 98 SER H H 1 9.11 0.02 . 1 . . . . 655 SER H . 10017 1 345 . 1 1 98 98 SER C C 13 175.75 0.02 . 1 . . . . 655 SER C . 10017 1 346 . 1 1 98 98 SER CA C 13 59.79 0.17 . 1 . . . . 655 SER CA . 10017 1 347 . 1 1 98 98 SER N N 15 119.64 0.06 . 1 . . . . 655 SER N . 10017 1 348 . 1 1 99 99 GLN H H 1 7.84 0.02 . 1 . . . . 656 GLN H . 10017 1 349 . 1 1 99 99 GLN C C 13 174.71 0.06 . 1 . . . . 656 GLN C . 10017 1 350 . 1 1 99 99 GLN CA C 13 54.6 0.15 . 1 . . . . 656 GLN CA . 10017 1 351 . 1 1 99 99 GLN CB C 13 28.12 0.27 . 1 . . . . 656 GLN CB . 10017 1 352 . 1 1 99 99 GLN N N 15 122.14 0.2 . 1 . . . . 656 GLN N . 10017 1 353 . 1 1 100 100 VAL H H 1 6.66 0.02 . 1 . . . . 657 VAL H . 10017 1 354 . 1 1 100 100 VAL C C 13 177.54 0.06 . 1 . . . . 657 VAL C . 10017 1 355 . 1 1 100 100 VAL CA C 13 57.52 0.09 . 1 . . . . 657 VAL CA . 10017 1 356 . 1 1 100 100 VAL CB C 13 33.79 0.13 . 1 . . . . 657 VAL CB . 10017 1 357 . 1 1 100 100 VAL N N 15 111.53 0.17 . 1 . . . . 657 VAL N . 10017 1 358 . 1 1 101 101 THR H H 1 8.31 0.03 . 1 . . . . 658 THR H . 10017 1 359 . 1 1 101 101 THR C C 13 176.34 0.16 . 1 . . . . 658 THR C . 10017 1 360 . 1 1 101 101 THR CA C 13 60.29 0.03 . 1 . . . . 658 THR CA . 10017 1 361 . 1 1 101 101 THR CB C 13 67.71 0.05 . 1 . . . . 658 THR CB . 10017 1 362 . 1 1 101 101 THR N N 15 117.06 0.28 . 1 . . . . 658 THR N . 10017 1 363 . 1 1 102 102 GLN H H 1 10.44 0.02 . 1 . . . . 659 GLN H . 10017 1 364 . 1 1 102 102 GLN C C 13 178.09 0.09 . 1 . . . . 659 GLN C . 10017 1 365 . 1 1 102 102 GLN CA C 13 58.91 0.04 . 1 . . . . 659 GLN CA . 10017 1 366 . 1 1 102 102 GLN CB C 13 29.09 0.16 . 1 . . . . 659 GLN CB . 10017 1 367 . 1 1 102 102 GLN N N 15 131.07 0.1 . 1 . . . . 659 GLN N . 10017 1 368 . 1 1 103 103 ALA H H 1 9.23 0.02 . 1 . . . . 660 ALA H . 10017 1 369 . 1 1 103 103 ALA C C 13 180.75 0.06 . 1 . . . . 660 ALA C . 10017 1 370 . 1 1 103 103 ALA CA C 13 54.21 0.02 . 1 . . . . 660 ALA CA . 10017 1 371 . 1 1 103 103 ALA CB C 13 17.52 0.02 . 1 . . . . 660 ALA CB . 10017 1 372 . 1 1 103 103 ALA N N 15 122.42 0.15 . 1 . . . . 660 ALA N . 10017 1 373 . 1 1 104 104 SER H H 1 7.34 0.02 . 1 . . . . 661 SER H . 10017 1 374 . 1 1 104 104 SER C C 13 176.82 0.02 . 1 . . . . 661 SER C . 10017 1 375 . 1 1 104 104 SER CA C 13 60.36 0.02 . 1 . . . . 661 SER CA . 10017 1 376 . 1 1 104 104 SER N N 15 115.86 0.13 . 1 . . . . 661 SER N . 10017 1 377 . 1 1 105 105 LEU H H 1 7.6 0.02 . 1 . . . . 662 LEU H . 10017 1 378 . 1 1 105 105 LEU C C 13 177.4 0.02 . 1 . . . . 662 LEU C . 10017 1 379 . 1 1 105 105 LEU CA C 13 58.11 0.02 . 1 . . . . 662 LEU CA . 10017 1 380 . 1 1 105 105 LEU N N 15 128.43 0.08 . 1 . . . . 662 LEU N . 10017 1 381 . 1 1 106 106 ARG H H 1 7.79 0.02 . 1 . . . . 663 ARG H . 10017 1 382 . 1 1 106 106 ARG C C 13 177.58 0.02 . 1 . . . . 663 ARG C . 10017 1 383 . 1 1 106 106 ARG CA C 13 58.52 0.14 . 1 . . . . 663 ARG CA . 10017 1 384 . 1 1 106 106 ARG N N 15 114.74 0.21 . 1 . . . . 663 ARG N . 10017 1 385 . 1 1 107 107 SER H H 1 7.5 0.02 . 1 . . . . 664 SER H . 10017 1 386 . 1 1 107 107 SER C C 13 174.22 0.02 . 1 . . . . 664 SER C . 10017 1 387 . 1 1 107 107 SER CA C 13 60.48 0.04 . 1 . . . . 664 SER CA . 10017 1 388 . 1 1 107 107 SER N N 15 116.53 0.04 . 1 . . . . 664 SER N . 10017 1 389 . 1 1 108 108 HIS H H 1 6.96 0.02 . 1 . . . . 665 HIS H . 10017 1 390 . 1 1 108 108 HIS C C 13 172.72 0.02 . 1 . . . . 665 HIS C . 10017 1 391 . 1 1 108 108 HIS CA C 13 56.34 0.22 . 1 . . . . 665 HIS CA . 10017 1 392 . 1 1 108 108 HIS CB C 13 30.39 0.02 . 1 . . . . 665 HIS CB . 10017 1 393 . 1 1 108 108 HIS N N 15 119.48 0.3 . 1 . . . . 665 HIS N . 10017 1 394 . 1 1 109 109 ILE H H 1 7.13 0.02 . 1 . . . . 666 ILE H . 10017 1 395 . 1 1 109 109 ILE C C 13 174.77 0.17 . 1 . . . . 666 ILE C . 10017 1 396 . 1 1 109 109 ILE CA C 13 59.66 0.12 . 1 . . . . 666 ILE CA . 10017 1 397 . 1 1 109 109 ILE CB C 13 39.64 0.02 . 1 . . . . 666 ILE CB . 10017 1 398 . 1 1 109 109 ILE N N 15 120.23 0.15 . 1 . . . . 666 ILE N . 10017 1 399 . 1 1 110 110 GLY H H 1 9.05 0.02 . 1 . . . . 667 GLY H . 10017 1 400 . 1 1 110 110 GLY C C 13 170.92 0.02 . 1 . . . . 667 GLY C . 10017 1 401 . 1 1 110 110 GLY CA C 13 43.47 0.02 . 1 . . . . 667 GLY CA . 10017 1 402 . 1 1 110 110 GLY N N 15 116.62 0.11 . 1 . . . . 667 GLY N . 10017 1 403 . 1 1 113 113 PRO C C 13 176.56 0.02 . 1 . . . . 670 PRO C . 10017 1 404 . 1 1 113 113 PRO CA C 13 63.04 0.19 . 1 . . . . 670 PRO CA . 10017 1 405 . 1 1 113 113 PRO CB C 13 30.94 0.02 . 1 . . . . 670 PRO CB . 10017 1 406 . 1 1 114 114 GLN H H 1 8.37 0.02 . 1 . . . . 671 GLN H . 10017 1 407 . 1 1 114 114 GLN C C 13 175.76 0.12 . 1 . . . . 671 GLN C . 10017 1 408 . 1 1 114 114 GLN CA C 13 56.33 0.02 . 1 . . . . 671 GLN CA . 10017 1 409 . 1 1 114 114 GLN CB C 13 29.27 0.39 . 1 . . . . 671 GLN CB . 10017 1 410 . 1 1 114 114 GLN N N 15 122.43 0.35 . 1 . . . . 671 GLN N . 10017 1 411 . 1 1 115 115 ASP H H 1 7.78 0.02 . 1 . . . . 672 ASP H . 10017 1 412 . 1 1 115 115 ASP C C 13 174.85 0.02 . 1 . . . . 672 ASP C . 10017 1 413 . 1 1 115 115 ASP CA C 13 56.61 0.02 . 1 . . . . 672 ASP CA . 10017 1 414 . 1 1 115 115 ASP CB C 13 38.35 0.02 . 1 . . . . 672 ASP CB . 10017 1 415 . 1 1 115 115 ASP N N 15 121.56 0.09 . 1 . . . . 672 ASP N . 10017 1 416 . 1 1 117 117 VAL C C 13 174.82 0.02 . 1 . . . . 674 VAL C . 10017 1 417 . 1 1 117 117 VAL CA C 13 61.42 0.02 . 1 . . . . 674 VAL CA . 10017 1 418 . 1 1 117 117 VAL CB C 13 31.83 0.5 . 1 . . . . 674 VAL CB . 10017 1 419 . 1 1 118 118 LEU H H 1 8.27 0.02 . 1 . . . . 675 LEU H . 10017 1 420 . 1 1 118 118 LEU C C 13 175.44 0.02 . 1 . . . . 675 LEU C . 10017 1 421 . 1 1 118 118 LEU CA C 13 52.13 0.02 . 1 . . . . 675 LEU CA . 10017 1 422 . 1 1 118 118 LEU CB C 13 41.65 0.02 . 1 . . . . 675 LEU CB . 10017 1 423 . 1 1 118 118 LEU N N 15 129.25 0.18 . 1 . . . . 675 LEU N . 10017 1 424 . 1 1 120 120 ASN C C 13 172.46 0.02 . 1 . . . . 677 ASN C . 10017 1 425 . 1 1 120 120 ASN CA C 13 52.82 0.02 . 1 . . . . 677 ASN CA . 10017 1 426 . 1 1 120 120 ASN CB C 13 35.42 0.02 . 1 . . . . 677 ASN CB . 10017 1 427 . 1 1 121 121 ASP H H 1 8.04 0.02 . 1 . . . . 678 ASP H . 10017 1 428 . 1 1 121 121 ASP C C 13 176.23 0.09 . 1 . . . . 678 ASP C . 10017 1 429 . 1 1 121 121 ASP CA C 13 52.01 0.1 . 1 . . . . 678 ASP CA . 10017 1 430 . 1 1 121 121 ASP CB C 13 44.16 0.02 . 1 . . . . 678 ASP CB . 10017 1 431 . 1 1 121 121 ASP N N 15 129.21 0.19 . 1 . . . . 678 ASP N . 10017 1 432 . 1 1 122 122 THR H H 1 9.87 0.02 . 1 . . . . 679 THR H . 10017 1 433 . 1 1 122 122 THR C C 13 178.36 0.02 . 1 . . . . 679 THR C . 10017 1 434 . 1 1 122 122 THR CA C 13 61.73 0.02 . 1 . . . . 679 THR CA . 10017 1 435 . 1 1 122 122 THR CB C 13 70.89 0.09 . 1 . . . . 679 THR CB . 10017 1 436 . 1 1 122 122 THR N N 15 112.45 0.1 . 1 . . . . 679 THR N . 10017 1 437 . 1 1 123 123 ILE H H 1 8.81 0.02 . 1 . . . . 680 ILE H . 10017 1 438 . 1 1 123 123 ILE C C 13 176.47 0.08 . 1 . . . . 680 ILE C . 10017 1 439 . 1 1 123 123 ILE CA C 13 62.34 0.25 . 1 . . . . 680 ILE CA . 10017 1 440 . 1 1 123 123 ILE N N 15 124.1 0.12 . 1 . . . . 680 ILE N . 10017 1 441 . 1 1 124 124 ALA H H 1 7.99 0.02 . 1 . . . . 681 ALA H . 10017 1 442 . 1 1 124 124 ALA C C 13 179.24 0.03 . 1 . . . . 681 ALA C . 10017 1 443 . 1 1 124 124 ALA CA C 13 55.45 0.25 . 1 . . . . 681 ALA CA . 10017 1 444 . 1 1 124 124 ALA CB C 13 18.16 0.02 . 1 . . . . 681 ALA CB . 10017 1 445 . 1 1 124 124 ALA N N 15 125.27 0.14 . 1 . . . . 681 ALA N . 10017 1 446 . 1 1 125 125 ASP H H 1 8.27 0.02 . 1 . . . . 682 ASP H . 10017 1 447 . 1 1 125 125 ASP C C 13 178.46 0.02 . 1 . . . . 682 ASP C . 10017 1 448 . 1 1 125 125 ASP CA C 13 57.29 0.02 . 1 . . . . 682 ASP CA . 10017 1 449 . 1 1 125 125 ASP N N 15 119.56 0.07 . 1 . . . . 682 ASP N . 10017 1 450 . 1 1 132 132 VAL C C 13 175.76 0.02 . 1 . . . . 689 VAL C . 10017 1 451 . 1 1 132 132 VAL CA C 13 64.71 0.02 . 1 . . . . 689 VAL CA . 10017 1 452 . 1 1 133 133 THR H H 1 7.04 0.02 . 1 . . . . 690 THR H . 10017 1 453 . 1 1 133 133 THR C C 13 174.84 0.02 . 1 . . . . 690 THR C . 10017 1 454 . 1 1 133 133 THR CA C 13 60.6 0.1 . 1 . . . . 690 THR CA . 10017 1 455 . 1 1 133 133 THR CB C 13 68.09 0.02 . 1 . . . . 690 THR CB . 10017 1 456 . 1 1 133 133 THR N N 15 109.13 0.17 . 1 . . . . 690 THR N . 10017 1 457 . 1 1 134 134 ALA H H 1 8.14 0.02 . 1 . . . . 691 ALA H . 10017 1 458 . 1 1 134 134 ALA C C 13 178.28 0.07 . 1 . . . . 691 ALA C . 10017 1 459 . 1 1 134 134 ALA CA C 13 52.09 0.08 . 1 . . . . 691 ALA CA . 10017 1 460 . 1 1 134 134 ALA CB C 13 19.42 0.8 . 1 . . . . 691 ALA CB . 10017 1 461 . 1 1 134 134 ALA N N 15 127.63 0.07 . 1 . . . . 691 ALA N . 10017 1 462 . 1 1 135 135 GLY H H 1 8.9 0.02 . 1 . . . . 692 GLY H . 10017 1 463 . 1 1 135 135 GLY C C 13 174.65 0.02 . 1 . . . . 692 GLY C . 10017 1 464 . 1 1 135 135 GLY CA C 13 43.31 0.02 . 1 . . . . 692 GLY CA . 10017 1 465 . 1 1 135 135 GLY N N 15 112.31 0.14 . 1 . . . . 692 GLY N . 10017 1 466 . 1 1 137 137 ASP C C 13 178.73 0.02 . 1 . . . . 694 ASP C . 10017 1 467 . 1 1 137 137 ASP CA C 13 56.17 0.02 . 1 . . . . 694 ASP CA . 10017 1 468 . 1 1 137 137 ASP CB C 13 37.62 0.02 . 1 . . . . 694 ASP CB . 10017 1 469 . 1 1 138 138 GLU H H 1 7.43 0.02 . 1 . . . . 695 GLU H . 10017 1 470 . 1 1 138 138 GLU C C 13 179.16 0.05 . 1 . . . . 695 GLU C . 10017 1 471 . 1 1 138 138 GLU CA C 13 58.54 0.06 . 1 . . . . 695 GLU CA . 10017 1 472 . 1 1 138 138 GLU CB C 13 29.67 0.26 . 1 . . . . 695 GLU CB . 10017 1 473 . 1 1 138 138 GLU N N 15 124.53 0.13 . 1 . . . . 695 GLU N . 10017 1 474 . 1 1 139 139 VAL H H 1 7.83 0.02 . 1 . . . . 696 VAL H . 10017 1 475 . 1 1 139 139 VAL C C 13 176.76 0.03 . 1 . . . . 696 VAL C . 10017 1 476 . 1 1 139 139 VAL CA C 13 66.6 0.02 . 1 . . . . 696 VAL CA . 10017 1 477 . 1 1 139 139 VAL CB C 13 30.75 0.2 . 1 . . . . 696 VAL CB . 10017 1 478 . 1 1 139 139 VAL N N 15 124.11 0.13 . 1 . . . . 696 VAL N . 10017 1 479 . 1 1 140 140 GLU H H 1 7.86 0.02 . 1 . . . . 697 GLU H . 10017 1 480 . 1 1 140 140 GLU C C 13 178.69 0.04 . 1 . . . . 697 GLU C . 10017 1 481 . 1 1 140 140 GLU CA C 13 58.35 0.07 . 1 . . . . 697 GLU CA . 10017 1 482 . 1 1 140 140 GLU CB C 13 28.12 0.14 . 1 . . . . 697 GLU CB . 10017 1 483 . 1 1 140 140 GLU N N 15 121.23 0.22 . 1 . . . . 697 GLU N . 10017 1 484 . 1 1 141 141 ALA H H 1 7.74 0.02 . 1 . . . . 698 ALA H . 10017 1 485 . 1 1 141 141 ALA C C 13 181.19 0.06 . 1 . . . . 698 ALA C . 10017 1 486 . 1 1 141 141 ALA CA C 13 54.4 0.08 . 1 . . . . 698 ALA CA . 10017 1 487 . 1 1 141 141 ALA CB C 13 16.8 0.02 . 1 . . . . 698 ALA CB . 10017 1 488 . 1 1 141 141 ALA N N 15 122.85 0.22 . 1 . . . . 698 ALA N . 10017 1 489 . 1 1 142 142 ALA H H 1 8.05 0.02 . 1 . . . . 699 ALA H . 10017 1 490 . 1 1 142 142 ALA C C 13 179.05 0.04 . 1 . . . . 699 ALA C . 10017 1 491 . 1 1 142 142 ALA CA C 13 54.61 0.12 . 1 . . . . 699 ALA CA . 10017 1 492 . 1 1 142 142 ALA CB C 13 17.7 0.39 . 1 . . . . 699 ALA CB . 10017 1 493 . 1 1 142 142 ALA N N 15 125.6 0.21 . 1 . . . . 699 ALA N . 10017 1 494 . 1 1 143 143 ALA H H 1 8.53 0.02 . 1 . . . . 700 ALA H . 10017 1 495 . 1 1 143 143 ALA C C 13 181.01 0.07 . 1 . . . . 700 ALA C . 10017 1 496 . 1 1 143 143 ALA CA C 13 54.58 0.06 . 1 . . . . 700 ALA CA . 10017 1 497 . 1 1 143 143 ALA CB C 13 18.84 0.39 . 1 . . . . 700 ALA CB . 10017 1 498 . 1 1 143 143 ALA N N 15 122.53 0.13 . 1 . . . . 700 ALA N . 10017 1 499 . 1 1 144 144 GLN H H 1 8.8 0.02 . 1 . . . . 701 GLN H . 10017 1 500 . 1 1 144 144 GLN C C 13 179.71 0.02 . 1 . . . . 701 GLN C . 10017 1 501 . 1 1 144 144 GLN CA C 13 58.38 0.1 . 1 . . . . 701 GLN CA . 10017 1 502 . 1 1 144 144 GLN CB C 13 26.54 0.06 . 1 . . . . 701 GLN CB . 10017 1 503 . 1 1 144 144 GLN N N 15 122.37 0.12 . 1 . . . . 701 GLN N . 10017 1 504 . 1 1 145 145 ALA H H 1 8.03 0.02 . 1 . . . . 702 ALA H . 10017 1 505 . 1 1 145 145 ALA C C 13 179.14 0.03 . 1 . . . . 702 ALA C . 10017 1 506 . 1 1 145 145 ALA CA C 13 54.34 0.15 . 1 . . . . 702 ALA CA . 10017 1 507 . 1 1 145 145 ALA CB C 13 17.71 0.02 . 1 . . . . 702 ALA CB . 10017 1 508 . 1 1 145 145 ALA N N 15 126.64 0.05 . 1 . . . . 702 ALA N . 10017 1 509 . 1 1 146 146 ALA H H 1 8.05 0.02 . 1 . . . . 703 ALA H . 10017 1 510 . 1 1 146 146 ALA C C 13 176.76 0.04 . 1 . . . . 703 ALA C . 10017 1 511 . 1 1 146 146 ALA CA C 13 51.7 0.02 . 1 . . . . 703 ALA CA . 10017 1 512 . 1 1 146 146 ALA CB C 13 19.58 0.39 . 1 . . . . 703 ALA CB . 10017 1 513 . 1 1 146 146 ALA N N 15 120.04 0.15 . 1 . . . . 703 ALA N . 10017 1 514 . 1 1 147 147 GLY H H 1 7.68 0.02 . 1 . . . . 704 GLY H . 10017 1 515 . 1 1 147 147 GLY C C 13 174.75 0.02 . 1 . . . . 704 GLY C . 10017 1 516 . 1 1 147 147 GLY CA C 13 45.69 0.16 . 1 . . . . 704 GLY CA . 10017 1 517 . 1 1 147 147 GLY N N 15 107.63 0.16 . 1 . . . . 704 GLY N . 10017 1 518 . 1 1 148 148 ILE H H 1 8.29 0.03 . 1 . . . . 705 ILE H . 10017 1 519 . 1 1 148 148 ILE C C 13 173.63 0.12 . 1 . . . . 705 ILE C . 10017 1 520 . 1 1 148 148 ILE CA C 13 57.22 0.07 . 1 . . . . 705 ILE CA . 10017 1 521 . 1 1 148 148 ILE CB C 13 43.22 0.45 . 1 . . . . 705 ILE CB . 10017 1 522 . 1 1 148 148 ILE N N 15 117.6 0.14 . 1 . . . . 705 ILE N . 10017 1 523 . 1 1 149 149 HIS H H 1 7.06 0.03 . 1 . . . . 706 HIS H . 10017 1 524 . 1 1 149 149 HIS C C 13 175.37 0.02 . 1 . . . . 706 HIS C . 10017 1 525 . 1 1 149 149 HIS CA C 13 59.5 0.17 . 1 . . . . 706 HIS CA . 10017 1 526 . 1 1 149 149 HIS CB C 13 30.48 0.73 . 1 . . . . 706 HIS CB . 10017 1 527 . 1 1 149 149 HIS N N 15 126.72 0.32 . 1 . . . . 706 HIS N . 10017 1 528 . 1 1 150 150 ASP H H 1 8.32 0.02 . 1 . . . . 707 ASP H . 10017 1 529 . 1 1 150 150 ASP C C 13 178.66 0.07 . 1 . . . . 707 ASP C . 10017 1 530 . 1 1 150 150 ASP CA C 13 57.05 0.04 . 1 . . . . 707 ASP CA . 10017 1 531 . 1 1 150 150 ASP CB C 13 39.37 0.02 . 1 . . . . 707 ASP CB . 10017 1 532 . 1 1 150 150 ASP N N 15 118.68 0.22 . 1 . . . . 707 ASP N . 10017 1 533 . 1 1 151 151 ALA H H 1 7.54 0.02 . 1 . . . . 708 ALA H . 10017 1 534 . 1 1 151 151 ALA C C 13 179.32 0.04 . 1 . . . . 708 ALA C . 10017 1 535 . 1 1 151 151 ALA CA C 13 53.83 0.02 . 1 . . . . 708 ALA CA . 10017 1 536 . 1 1 151 151 ALA CB C 13 16.51 0.03 . 1 . . . . 708 ALA CB . 10017 1 537 . 1 1 151 151 ALA N N 15 124.88 0.16 . 1 . . . . 708 ALA N . 10017 1 538 . 1 1 152 152 ILE H H 1 7.23 0.02 . 1 . . . . 709 ILE H . 10017 1 539 . 1 1 152 152 ILE C C 13 178.22 0.02 . 1 . . . . 709 ILE C . 10017 1 540 . 1 1 152 152 ILE CA C 13 62.99 0.17 . 1 . . . . 709 ILE CA . 10017 1 541 . 1 1 152 152 ILE CB C 13 36.41 0.12 . 1 . . . . 709 ILE CB . 10017 1 542 . 1 1 152 152 ILE N N 15 120.44 0.16 . 1 . . . . 709 ILE N . 10017 1 543 . 1 1 153 153 MET H H 1 7.6 0.02 . 1 . . . . 710 MET H . 10017 1 544 . 1 1 153 153 MET C C 13 177.49 0.02 . 1 . . . . 710 MET C . 10017 1 545 . 1 1 153 153 MET CA C 13 54.48 0.02 . 1 . . . . 710 MET CA . 10017 1 546 . 1 1 153 153 MET CB C 13 28.94 0.02 . 1 . . . . 710 MET CB . 10017 1 547 . 1 1 153 153 MET N N 15 116.7 0.18 . 1 . . . . 710 MET N . 10017 1 548 . 1 1 154 154 ALA H H 1 6.94 0.02 . 1 . . . . 711 ALA H . 10017 1 549 . 1 1 154 154 ALA C C 13 178.59 0.02 . 1 . . . . 711 ALA C . 10017 1 550 . 1 1 154 154 ALA CA C 13 51.17 0.22 . 1 . . . . 711 ALA CA . 10017 1 551 . 1 1 154 154 ALA CB C 13 18.1 0.04 . 1 . . . . 711 ALA CB . 10017 1 552 . 1 1 154 154 ALA N N 15 122.32 0.09 . 1 . . . . 711 ALA N . 10017 1 553 . 1 1 155 155 PHE H H 1 7.68 0.02 . 1 . . . . 712 PHE H . 10017 1 554 . 1 1 155 155 PHE C C 13 176.87 0.02 . 1 . . . . 712 PHE C . 10017 1 555 . 1 1 155 155 PHE CA C 13 52.83 0.02 . 1 . . . . 712 PHE CA . 10017 1 556 . 1 1 155 155 PHE CB C 13 35.91 0.02 . 1 . . . . 712 PHE CB . 10017 1 557 . 1 1 155 155 PHE N N 15 124.4 0.14 . 1 . . . . 712 PHE N . 10017 1 558 . 1 1 156 156 PRO C C 13 177.65 0.02 . 1 . . . . 713 PRO C . 10017 1 559 . 1 1 156 156 PRO CA C 13 65.51 0.02 . 1 . . . . 713 PRO CA . 10017 1 560 . 1 1 157 157 GLU H H 1 7.64 0.02 . 1 . . . . 714 GLU H . 10017 1 561 . 1 1 157 157 GLU C C 13 177.57 0.03 . 1 . . . . 714 GLU C . 10017 1 562 . 1 1 157 157 GLU CA C 13 54.12 0.06 . 1 . . . . 714 GLU CA . 10017 1 563 . 1 1 157 157 GLU CB C 13 28.8 0.02 . 1 . . . . 714 GLU CB . 10017 1 564 . 1 1 157 157 GLU N N 15 114.38 0.09 . 1 . . . . 714 GLU N . 10017 1 565 . 1 1 158 158 GLY H H 1 7.61 0.02 . 1 . . . . 715 GLY H . 10017 1 566 . 1 1 158 158 GLY C C 13 178.03 0.02 . 1 . . . . 715 GLY C . 10017 1 567 . 1 1 158 158 GLY CA C 13 46.04 0.1 . 1 . . . . 715 GLY CA . 10017 1 568 . 1 1 158 158 GLY N N 15 111.03 0.14 . 1 . . . . 715 GLY N . 10017 1 569 . 1 1 159 159 TYR H H 1 9.39 0.02 . 1 . . . . 716 TYR H . 10017 1 570 . 1 1 159 159 TYR C C 13 175.56 0.02 . 1 . . . . 716 TYR C . 10017 1 571 . 1 1 159 159 TYR CA C 13 62.16 0.17 . 1 . . . . 716 TYR CA . 10017 1 572 . 1 1 159 159 TYR N N 15 128.85 0.15 . 1 . . . . 716 TYR N . 10017 1 573 . 1 1 160 160 ARG H H 1 7.9 0.02 . 1 . . . . 717 ARG H . 10017 1 574 . 1 1 160 160 ARG C C 13 175.11 0.02 . 1 . . . . 717 ARG C . 10017 1 575 . 1 1 160 160 ARG CA C 13 55.15 0.06 . 1 . . . . 717 ARG CA . 10017 1 576 . 1 1 160 160 ARG CB C 13 28.67 0.16 . 1 . . . . 717 ARG CB . 10017 1 577 . 1 1 160 160 ARG N N 15 118.2 0.13 . 1 . . . . 717 ARG N . 10017 1 578 . 1 1 161 161 THR H H 1 7.43 0.02 . 1 . . . . 718 THR H . 10017 1 579 . 1 1 161 161 THR CA C 13 64.47 0.03 . 1 . . . . 718 THR CA . 10017 1 580 . 1 1 161 161 THR CB C 13 69.21 0.34 . 1 . . . . 718 THR CB . 10017 1 581 . 1 1 161 161 THR N N 15 119.7 0.21 . 1 . . . . 718 THR N . 10017 1 582 . 1 1 162 162 GLN H H 1 8.85 0.02 . 1 . . . . 719 GLN H . 10017 1 583 . 1 1 162 162 GLN C C 13 176.15 0.09 . 1 . . . . 719 GLN C . 10017 1 584 . 1 1 162 162 GLN CA C 13 55.85 0.12 . 1 . . . . 719 GLN CA . 10017 1 585 . 1 1 162 162 GLN CB C 13 26.96 0.14 . 1 . . . . 719 GLN CB . 10017 1 586 . 1 1 162 162 GLN N N 15 129.72 0.16 . 1 . . . . 719 GLN N . 10017 1 587 . 1 1 163 163 VAL H H 1 8.18 0.02 . 1 . . . . 720 VAL H . 10017 1 588 . 1 1 163 163 VAL C C 13 174.42 0.06 . 1 . . . . 720 VAL C . 10017 1 589 . 1 1 163 163 VAL CA C 13 59.5 0.1 . 1 . . . . 720 VAL CA . 10017 1 590 . 1 1 163 163 VAL CB C 13 32.52 0.4 . 1 . . . . 720 VAL CB . 10017 1 591 . 1 1 163 163 VAL N N 15 121.25 0.18 . 1 . . . . 720 VAL N . 10017 1 592 . 1 1 164 164 GLY H H 1 7.96 0.02 . 1 . . . . 721 GLY H . 10017 1 593 . 1 1 164 164 GLY C C 13 175.29 0.02 . 1 . . . . 721 GLY C . 10017 1 594 . 1 1 164 164 GLY CA C 13 43.33 0.1 . 1 . . . . 721 GLY CA . 10017 1 595 . 1 1 164 164 GLY N N 15 108.19 0.12 . 1 . . . . 721 GLY N . 10017 1 596 . 1 1 165 165 GLU H H 1 8.31 0.02 . 1 . . . . 722 GLU H . 10017 1 597 . 1 1 165 165 GLU C C 13 178 0.02 . 1 . . . . 722 GLU C . 10017 1 598 . 1 1 165 165 GLU CA C 13 58.47 0.04 . 1 . . . . 722 GLU CA . 10017 1 599 . 1 1 165 165 GLU CB C 13 28.98 0.02 . 1 . . . . 722 GLU CB . 10017 1 600 . 1 1 165 165 GLU N N 15 123.51 0.11 . 1 . . . . 722 GLU N . 10017 1 601 . 1 1 166 166 ARG H H 1 8.44 0.02 . 1 . . . . 723 ARG H . 10017 1 602 . 1 1 166 166 ARG C C 13 175.83 0.02 . 1 . . . . 723 ARG C . 10017 1 603 . 1 1 166 166 ARG CA C 13 54.96 0.05 . 1 . . . . 723 ARG CA . 10017 1 604 . 1 1 166 166 ARG CB C 13 28.85 0.34 . 1 . . . . 723 ARG CB . 10017 1 605 . 1 1 166 166 ARG N N 15 118.36 0.1 . 1 . . . . 723 ARG N . 10017 1 606 . 1 1 167 167 GLY H H 1 7.3 0.02 . 1 . . . . 724 GLY H . 10017 1 607 . 1 1 167 167 GLY C C 13 172.4 0.02 . 1 . . . . 724 GLY C . 10017 1 608 . 1 1 167 167 GLY CA C 13 43.26 0.04 . 1 . . . . 724 GLY CA . 10017 1 609 . 1 1 167 167 GLY N N 15 111.03 0.1 . 1 . . . . 724 GLY N . 10017 1 610 . 1 1 168 168 LEU H H 1 8.16 0.02 . 1 . . . . 725 LEU H . 10017 1 611 . 1 1 168 168 LEU C C 13 172.52 0.02 . 1 . . . . 725 LEU C . 10017 1 612 . 1 1 168 168 LEU CA C 13 55.03 0.02 . 1 . . . . 725 LEU CA . 10017 1 613 . 1 1 168 168 LEU CB C 13 41.15 0.02 . 1 . . . . 725 LEU CB . 10017 1 614 . 1 1 168 168 LEU N N 15 127.87 0.04 . 1 . . . . 725 LEU N . 10017 1 615 . 1 1 169 169 LYS H H 1 8.17 0.02 . 1 . . . . 726 LYS H . 10017 1 616 . 1 1 169 169 LYS C C 13 175.77 0.03 . 1 . . . . 726 LYS C . 10017 1 617 . 1 1 169 169 LYS CA C 13 55.16 0.11 . 1 . . . . 726 LYS CA . 10017 1 618 . 1 1 169 169 LYS CB C 13 31.26 0.03 . 1 . . . . 726 LYS CB . 10017 1 619 . 1 1 169 169 LYS N N 15 127.4 0.14 . 1 . . . . 726 LYS N . 10017 1 620 . 1 1 170 170 LEU H H 1 7.93 0.02 . 1 . . . . 727 LEU H . 10017 1 621 . 1 1 170 170 LEU C C 13 176.95 0.02 . 1 . . . . 727 LEU C . 10017 1 622 . 1 1 170 170 LEU CA C 13 53.34 0.11 . 1 . . . . 727 LEU CA . 10017 1 623 . 1 1 170 170 LEU CB C 13 41.86 0.52 . 1 . . . . 727 LEU CB . 10017 1 624 . 1 1 170 170 LEU N N 15 128.28 0.12 . 1 . . . . 727 LEU N . 10017 1 625 . 1 1 171 171 SER H H 1 9.18 0.02 . 1 . . . . 728 SER H . 10017 1 626 . 1 1 171 171 SER C C 13 174.84 0.02 . 1 . . . . 728 SER C . 10017 1 627 . 1 1 171 171 SER CA C 13 56.82 0.02 . 1 . . . . 728 SER CA . 10017 1 628 . 1 1 171 171 SER CB C 13 64.92 0.02 . 1 . . . . 728 SER CB . 10017 1 629 . 1 1 171 171 SER N N 15 120.65 0.12 . 1 . . . . 728 SER N . 10017 1 630 . 1 1 172 172 GLY C C 13 176.44 0.02 . 1 . . . . 729 GLY C . 10017 1 631 . 1 1 172 172 GLY CA C 13 47.58 0.02 . 1 . . . . 729 GLY CA . 10017 1 632 . 1 1 173 173 GLY H H 1 8.73 0.02 . 1 . . . . 730 GLY H . 10017 1 633 . 1 1 173 173 GLY C C 13 175.81 0.05 . 1 . . . . 730 GLY C . 10017 1 634 . 1 1 173 173 GLY CA C 13 46.57 0.17 . 1 . . . . 730 GLY CA . 10017 1 635 . 1 1 173 173 GLY N N 15 110.85 0.03 . 1 . . . . 730 GLY N . 10017 1 636 . 1 1 174 174 GLU H H 1 7.57 0.02 . 1 . . . . 731 GLU H . 10017 1 637 . 1 1 174 174 GLU C C 13 178.69 0.05 . 1 . . . . 731 GLU C . 10017 1 638 . 1 1 174 174 GLU CA C 13 59.13 0.02 . 1 . . . . 731 GLU CA . 10017 1 639 . 1 1 174 174 GLU CB C 13 29.86 0.02 . 1 . . . . 731 GLU CB . 10017 1 640 . 1 1 174 174 GLU N N 15 123.65 0.09 . 1 . . . . 731 GLU N . 10017 1 641 . 1 1 175 175 LYS H H 1 8.61 0.02 . 1 . . . . 732 LYS H . 10017 1 642 . 1 1 175 175 LYS C C 13 178.56 0.05 . 1 . . . . 732 LYS C . 10017 1 643 . 1 1 175 175 LYS CA C 13 60.82 0.02 . 1 . . . . 732 LYS CA . 10017 1 644 . 1 1 175 175 LYS CB C 13 31.41 0.02 . 1 . . . . 732 LYS CB . 10017 1 645 . 1 1 175 175 LYS N N 15 120.42 0.11 . 1 . . . . 732 LYS N . 10017 1 646 . 1 1 176 176 GLN H H 1 8.05 0.02 . 1 . . . . 733 GLN H . 10017 1 647 . 1 1 176 176 GLN C C 13 179.11 0.02 . 1 . . . . 733 GLN C . 10017 1 648 . 1 1 176 176 GLN CA C 13 57.14 0.08 . 1 . . . . 733 GLN CA . 10017 1 649 . 1 1 176 176 GLN N N 15 118.41 0.17 . 1 . . . . 733 GLN N . 10017 1 650 . 1 1 177 177 ARG H H 1 7.85 0.02 . 1 . . . . 734 ARG H . 10017 1 651 . 1 1 177 177 ARG C C 13 178.81 0.05 . 1 . . . . 734 ARG C . 10017 1 652 . 1 1 177 177 ARG CA C 13 59.88 0.02 . 1 . . . . 734 ARG CA . 10017 1 653 . 1 1 177 177 ARG N N 15 120.38 0.03 . 1 . . . . 734 ARG N . 10017 1 654 . 1 1 178 178 VAL H H 1 8.06 0.03 . 1 . . . . 735 VAL H . 10017 1 655 . 1 1 178 178 VAL C C 13 177.39 0.02 . 1 . . . . 735 VAL C . 10017 1 656 . 1 1 178 178 VAL CA C 13 67.1 0.37 . 1 . . . . 735 VAL CA . 10017 1 657 . 1 1 178 178 VAL CB C 13 29.52 0.02 . 1 . . . . 735 VAL CB . 10017 1 658 . 1 1 178 178 VAL N N 15 123.92 0.05 . 1 . . . . 735 VAL N . 10017 1 659 . 1 1 179 179 ALA H H 1 7.82 0.02 . 1 . . . . 736 ALA H . 10017 1 660 . 1 1 179 179 ALA C C 13 181.58 0.02 . 1 . . . . 736 ALA C . 10017 1 661 . 1 1 179 179 ALA CA C 13 55.08 0.02 . 1 . . . . 736 ALA CA . 10017 1 662 . 1 1 179 179 ALA CB C 13 18.1 0.02 . 1 . . . . 736 ALA CB . 10017 1 663 . 1 1 179 179 ALA N N 15 124.32 0.12 . 1 . . . . 736 ALA N . 10017 1 664 . 1 1 185 185 LEU C C 13 177.92 0.02 . 1 . . . . 742 LEU C . 10017 1 665 . 1 1 185 185 LEU CA C 13 56.6 0.02 . 1 . . . . 742 LEU CA . 10017 1 666 . 1 1 186 186 LYS H H 1 7.72 0.02 . 1 . . . . 743 LYS H . 10017 1 667 . 1 1 186 186 LYS C C 13 175.44 0.14 . 1 . . . . 743 LYS C . 10017 1 668 . 1 1 186 186 LYS CA C 13 58.72 0.02 . 1 . . . . 743 LYS CA . 10017 1 669 . 1 1 186 186 LYS CB C 13 28.39 0.02 . 1 . . . . 743 LYS CB . 10017 1 670 . 1 1 186 186 LYS N N 15 121.91 0.11 . 1 . . . . 743 LYS N . 10017 1 671 . 1 1 187 187 ALA H H 1 8.13 0.02 . 1 . . . . 744 ALA H . 10017 1 672 . 1 1 187 187 ALA C C 13 173.87 0.02 . 1 . . . . 744 ALA C . 10017 1 673 . 1 1 187 187 ALA CA C 13 51.8 0.02 . 1 . . . . 744 ALA CA . 10017 1 674 . 1 1 187 187 ALA CB C 13 16.53 0.02 . 1 . . . . 744 ALA CB . 10017 1 675 . 1 1 187 187 ALA N N 15 120.54 0.08 . 1 . . . . 744 ALA N . 10017 1 676 . 1 1 189 189 GLY C C 13 173.26 0.02 . 1 . . . . 746 GLY C . 10017 1 677 . 1 1 189 189 GLY CA C 13 45.31 0.02 . 1 . . . . 746 GLY CA . 10017 1 678 . 1 1 190 190 ILE H H 1 7.84 0.02 . 1 . . . . 747 ILE H . 10017 1 679 . 1 1 190 190 ILE C C 13 173.82 0.02 . 1 . . . . 747 ILE C . 10017 1 680 . 1 1 190 190 ILE CA C 13 59.08 0.06 . 1 . . . . 747 ILE CA . 10017 1 681 . 1 1 190 190 ILE CB C 13 40.48 0.02 . 1 . . . . 747 ILE CB . 10017 1 682 . 1 1 190 190 ILE N N 15 122.57 0.12 . 1 . . . . 747 ILE N . 10017 1 683 . 1 1 191 191 ILE H H 1 9.04 0.02 . 1 . . . . 748 ILE H . 10017 1 684 . 1 1 191 191 ILE C C 13 172.88 0.02 . 1 . . . . 748 ILE C . 10017 1 685 . 1 1 191 191 ILE CA C 13 58.13 0.1 . 1 . . . . 748 ILE CA . 10017 1 686 . 1 1 191 191 ILE CB C 13 38.21 0.02 . 1 . . . . 748 ILE CB . 10017 1 687 . 1 1 191 191 ILE N N 15 129.32 0.13 . 1 . . . . 748 ILE N . 10017 1 688 . 1 1 192 192 LEU H H 1 8.77 0.02 . 1 . . . . 749 LEU H . 10017 1 689 . 1 1 192 192 LEU C C 13 174.96 0.02 . 1 . . . . 749 LEU C . 10017 1 690 . 1 1 192 192 LEU CA C 13 51.55 0.06 . 1 . . . . 749 LEU CA . 10017 1 691 . 1 1 192 192 LEU CB C 13 41.03 0.07 . 1 . . . . 749 LEU CB . 10017 1 692 . 1 1 192 192 LEU N N 15 126.83 0.26 . 1 . . . . 749 LEU N . 10017 1 693 . 1 1 193 193 LEU H H 1 8.98 0.02 . 1 . . . . 750 LEU H . 10017 1 694 . 1 1 193 193 LEU CA C 13 52.16 0.02 . 1 . . . . 750 LEU CA . 10017 1 695 . 1 1 193 193 LEU CB C 13 41.25 0.02 . 1 . . . . 750 LEU CB . 10017 1 696 . 1 1 193 193 LEU N N 15 125.78 0.25 . 1 . . . . 750 LEU N . 10017 1 697 . 1 1 200 200 LEU C C 13 176.57 0.02 . 1 . . . . 757 LEU C . 10017 1 698 . 1 1 200 200 LEU CA C 13 53.05 0.02 . 1 . . . . 757 LEU CA . 10017 1 699 . 1 1 200 200 LEU CB C 13 42.58 0.02 . 1 . . . . 757 LEU CB . 10017 1 700 . 1 1 201 201 ASP H H 1 8.15 0.02 . 1 . . . . 758 ASP H . 10017 1 701 . 1 1 201 201 ASP C C 13 175.94 0.05 . 1 . . . . 758 ASP C . 10017 1 702 . 1 1 201 201 ASP CA C 13 52.44 0.02 . 1 . . . . 758 ASP CA . 10017 1 703 . 1 1 201 201 ASP CB C 13 40.5 0.23 . 1 . . . . 758 ASP CB . 10017 1 704 . 1 1 201 201 ASP N N 15 121.84 0.1 . 1 . . . . 758 ASP N . 10017 1 705 . 1 1 202 202 THR H H 1 8.3 0.02 . 1 . . . . 759 THR H . 10017 1 706 . 1 1 202 202 THR CA C 13 65.58 0.02 . 1 . . . . 759 THR CA . 10017 1 707 . 1 1 202 202 THR N N 15 115.84 0.24 . 1 . . . . 759 THR N . 10017 1 708 . 1 1 205 205 GLU C C 13 177.43 0.02 . 1 . . . . 762 GLU C . 10017 1 709 . 1 1 205 205 GLU CA C 13 59.8 0.02 . 1 . . . . 762 GLU CA . 10017 1 710 . 1 1 206 206 ARG H H 1 8.03 0.02 . 1 . . . . 763 ARG H . 10017 1 711 . 1 1 206 206 ARG C C 13 179.23 0.04 . 1 . . . . 763 ARG C . 10017 1 712 . 1 1 206 206 ARG CA C 13 58.79 0.02 . 1 . . . . 763 ARG CA . 10017 1 713 . 1 1 206 206 ARG CB C 13 28.92 0.02 . 1 . . . . 763 ARG CB . 10017 1 714 . 1 1 206 206 ARG N N 15 120.2 0.14 . 1 . . . . 763 ARG N . 10017 1 715 . 1 1 207 207 ALA H H 1 7.68 0.02 . 1 . . . . 764 ALA H . 10017 1 716 . 1 1 207 207 ALA C C 13 180.42 0.04 . 1 . . . . 764 ALA C . 10017 1 717 . 1 1 207 207 ALA CA C 13 54.26 0.04 . 1 . . . . 764 ALA CA . 10017 1 718 . 1 1 207 207 ALA CB C 13 18.19 0.02 . 1 . . . . 764 ALA CB . 10017 1 719 . 1 1 207 207 ALA N N 15 123.86 0.09 . 1 . . . . 764 ALA N . 10017 1 720 . 1 1 208 208 ILE H H 1 8.32 0.03 . 1 . . . . 765 ILE H . 10017 1 721 . 1 1 208 208 ILE C C 13 177.76 0.05 . 1 . . . . 765 ILE C . 10017 1 722 . 1 1 208 208 ILE CA C 13 63.02 0.21 . 1 . . . . 765 ILE CA . 10017 1 723 . 1 1 208 208 ILE CB C 13 35.83 0.02 . 1 . . . . 765 ILE CB . 10017 1 724 . 1 1 208 208 ILE N N 15 122.03 0.22 . 1 . . . . 765 ILE N . 10017 1 725 . 1 1 209 209 GLN H H 1 8.4 0.02 . 1 . . . . 766 GLN H . 10017 1 726 . 1 1 209 209 GLN C C 13 178.42 0.07 . 1 . . . . 766 GLN C . 10017 1 727 . 1 1 209 209 GLN CA C 13 58.61 0.08 . 1 . . . . 766 GLN CA . 10017 1 728 . 1 1 209 209 GLN CB C 13 27.25 0.41 . 1 . . . . 766 GLN CB . 10017 1 729 . 1 1 209 209 GLN N N 15 122.93 0.09 . 1 . . . . 766 GLN N . 10017 1 730 . 1 1 210 210 ALA H H 1 7.78 0.03 . 1 . . . . 767 ALA H . 10017 1 731 . 1 1 210 210 ALA C C 13 180.66 0.11 . 1 . . . . 767 ALA C . 10017 1 732 . 1 1 210 210 ALA CA C 13 54.76 0.1 . 1 . . . . 767 ALA CA . 10017 1 733 . 1 1 210 210 ALA N N 15 123.33 0.2 . 1 . . . . 767 ALA N . 10017 1 734 . 1 1 211 211 SER H H 1 7.73 0.02 . 1 . . . . 768 SER H . 10017 1 735 . 1 1 211 211 SER C C 13 176.94 0.02 . 1 . . . . 768 SER C . 10017 1 736 . 1 1 211 211 SER CA C 13 61.82 0.13 . 1 . . . . 768 SER CA . 10017 1 737 . 1 1 211 211 SER CB C 13 62.44 0.02 . 1 . . . . 768 SER CB . 10017 1 738 . 1 1 211 211 SER N N 15 117.75 0.29 . 1 . . . . 768 SER N . 10017 1 739 . 1 1 212 212 LEU H H 1 8.52 0.02 . 1 . . . . 769 LEU H . 10017 1 740 . 1 1 212 212 LEU C C 13 178.24 0.02 . 1 . . . . 769 LEU C . 10017 1 741 . 1 1 212 212 LEU CA C 13 56.75 0.14 . 1 . . . . 769 LEU CA . 10017 1 742 . 1 1 212 212 LEU CB C 13 40.33 0.11 . 1 . . . . 769 LEU CB . 10017 1 743 . 1 1 212 212 LEU N N 15 124.15 0.2 . 1 . . . . 769 LEU N . 10017 1 744 . 1 1 213 213 ALA H H 1 8.04 0.02 . 1 . . . . 770 ALA H . 10017 1 745 . 1 1 213 213 ALA C C 13 180.35 0.02 . 1 . . . . 770 ALA C . 10017 1 746 . 1 1 213 213 ALA CA C 13 54.38 0.06 . 1 . . . . 770 ALA CA . 10017 1 747 . 1 1 213 213 ALA CB C 13 16.77 0.02 . 1 . . . . 770 ALA CB . 10017 1 748 . 1 1 213 213 ALA N N 15 123.31 0.28 . 1 . . . . 770 ALA N . 10017 1 749 . 1 1 214 214 LYS H H 1 7.19 0.02 . 1 . . . . 771 LYS H . 10017 1 750 . 1 1 214 214 LYS C C 13 178.93 0.03 . 1 . . . . 771 LYS C . 10017 1 751 . 1 1 214 214 LYS CA C 13 58.2 0.07 . 1 . . . . 771 LYS CA . 10017 1 752 . 1 1 214 214 LYS CB C 13 31.33 0.02 . 1 . . . . 771 LYS CB . 10017 1 753 . 1 1 214 214 LYS N N 15 117.99 0.13 . 1 . . . . 771 LYS N . 10017 1 754 . 1 1 215 215 VAL H H 1 7.59 0.02 . 1 . . . . 772 VAL H . 10017 1 755 . 1 1 215 215 VAL C C 13 176.22 0.02 . 1 . . . . 772 VAL C . 10017 1 756 . 1 1 215 215 VAL CA C 13 63.95 0.02 . 1 . . . . 772 VAL CA . 10017 1 757 . 1 1 215 215 VAL CB C 13 31.02 0.02 . 1 . . . . 772 VAL CB . 10017 1 758 . 1 1 215 215 VAL N N 15 120.37 0.1 . 1 . . . . 772 VAL N . 10017 1 759 . 1 1 217 217 ALA CA C 13 53.17 0.02 . 1 . . . . 774 ALA CA . 10017 1 760 . 1 1 217 217 ALA CB C 13 17.57 0.02 . 1 . . . . 774 ALA CB . 10017 1 761 . 1 1 218 218 ASN H H 1 8.86 0.03 . 1 . . . . 775 ASN H . 10017 1 762 . 1 1 218 218 ASN C C 13 173.88 0.02 . 1 . . . . 775 ASN C . 10017 1 763 . 1 1 218 218 ASN CA C 13 54.14 0.06 . 1 . . . . 775 ASN CA . 10017 1 764 . 1 1 218 218 ASN CB C 13 37.36 0.24 . 1 . . . . 775 ASN CB . 10017 1 765 . 1 1 218 218 ASN N N 15 117.14 0.09 . 1 . . . . 775 ASN N . 10017 1 766 . 1 1 219 219 ARG H H 1 7.87 0.02 . 1 . . . . 776 ARG H . 10017 1 767 . 1 1 219 219 ARG C C 13 175.77 0.02 . 1 . . . . 776 ARG C . 10017 1 768 . 1 1 219 219 ARG CA C 13 54.35 0.11 . 1 . . . . 776 ARG CA . 10017 1 769 . 1 1 219 219 ARG CB C 13 31.51 0.53 . 1 . . . . 776 ARG CB . 10017 1 770 . 1 1 219 219 ARG N N 15 120.81 0.1 . 1 . . . . 776 ARG N . 10017 1 771 . 1 1 220 220 THR H H 1 8.09 0.02 . 1 . . . . 777 THR H . 10017 1 772 . 1 1 220 220 THR C C 13 172.93 0.14 . 1 . . . . 777 THR C . 10017 1 773 . 1 1 220 220 THR CA C 13 63.62 0.16 . 1 . . . . 777 THR CA . 10017 1 774 . 1 1 220 220 THR CB C 13 69 0.08 . 1 . . . . 777 THR CB . 10017 1 775 . 1 1 220 220 THR N N 15 123.16 0.18 . 1 . . . . 777 THR N . 10017 1 776 . 1 1 221 221 THR H H 1 8.89 0.02 . 1 . . . . 778 THR H . 10017 1 777 . 1 1 221 221 THR C C 13 173.78 0.05 . 1 . . . . 778 THR C . 10017 1 778 . 1 1 221 221 THR CA C 13 61.37 0.12 . 1 . . . . 778 THR CA . 10017 1 779 . 1 1 221 221 THR CB C 13 71.27 0.12 . 1 . . . . 778 THR CB . 10017 1 780 . 1 1 221 221 THR N N 15 127.72 0.08 . 1 . . . . 778 THR N . 10017 1 781 . 1 1 222 222 ILE H H 1 8.59 0.02 . 1 . . . . 779 ILE H . 10017 1 782 . 1 1 222 222 ILE C C 13 173.78 0.02 . 1 . . . . 779 ILE C . 10017 1 783 . 1 1 222 222 ILE CA C 13 59.63 0.13 . 1 . . . . 779 ILE CA . 10017 1 784 . 1 1 222 222 ILE CB C 13 37.55 0.02 . 1 . . . . 779 ILE CB . 10017 1 785 . 1 1 222 222 ILE N N 15 126.14 0.16 . 1 . . . . 779 ILE N . 10017 1 786 . 1 1 223 223 VAL H H 1 9.26 0.02 . 1 . . . . 780 VAL H . 10017 1 787 . 1 1 223 223 VAL C C 13 173.65 0.08 . 1 . . . . 780 VAL C . 10017 1 788 . 1 1 223 223 VAL CA C 13 58.02 0.02 . 1 . . . . 780 VAL CA . 10017 1 789 . 1 1 223 223 VAL CB C 13 34.32 0.02 . 1 . . . . 780 VAL CB . 10017 1 790 . 1 1 223 223 VAL N N 15 127.85 0.12 . 1 . . . . 780 VAL N . 10017 1 791 . 1 1 224 224 VAL H H 1 9.2 0.02 . 1 . . . . 781 VAL H . 10017 1 792 . 1 1 224 224 VAL C C 13 176 0.11 . 1 . . . . 781 VAL C . 10017 1 793 . 1 1 224 224 VAL CA C 13 60.31 0.09 . 1 . . . . 781 VAL CA . 10017 1 794 . 1 1 224 224 VAL CB C 13 30.96 0.02 . 1 . . . . 781 VAL CB . 10017 1 795 . 1 1 224 224 VAL N N 15 129.78 0.03 . 1 . . . . 781 VAL N . 10017 1 796 . 1 1 225 225 ALA H H 1 7.96 0.04 . 1 . . . . 782 ALA H . 10017 1 797 . 1 1 225 225 ALA C C 13 175.24 0.02 . 1 . . . . 782 ALA C . 10017 1 798 . 1 1 225 225 ALA CA C 13 50.47 0.02 . 1 . . . . 782 ALA CA . 10017 1 799 . 1 1 225 225 ALA CB C 13 22 0.02 . 1 . . . . 782 ALA CB . 10017 1 800 . 1 1 225 225 ALA N N 15 131.63 0.18 . 1 . . . . 782 ALA N . 10017 1 801 . 1 1 230 230 THR C C 13 176.24 0.02 . 1 . . . . 787 THR C . 10017 1 802 . 1 1 230 230 THR CA C 13 63.62 0.02 . 1 . . . . 787 THR CA . 10017 1 803 . 1 1 231 231 VAL H H 1 7.73 0.02 . 1 . . . . 788 VAL H . 10017 1 804 . 1 1 231 231 VAL C C 13 175.65 0.02 . 1 . . . . 788 VAL C . 10017 1 805 . 1 1 231 231 VAL CA C 13 60.68 0.56 . 1 . . . . 788 VAL CA . 10017 1 806 . 1 1 231 231 VAL CB C 13 31.01 0.02 . 1 . . . . 788 VAL CB . 10017 1 807 . 1 1 231 231 VAL N N 15 114.9 0.08 . 1 . . . . 788 VAL N . 10017 1 808 . 1 1 232 232 VAL H H 1 6.49 0.02 . 1 . . . . 789 VAL H . 10017 1 809 . 1 1 232 232 VAL C C 13 176.96 0.02 . 1 . . . . 789 VAL C . 10017 1 810 . 1 1 232 232 VAL CA C 13 64.25 0.16 . 1 . . . . 789 VAL CA . 10017 1 811 . 1 1 232 232 VAL CB C 13 31.37 0.55 . 1 . . . . 789 VAL CB . 10017 1 812 . 1 1 232 232 VAL N N 15 116.4 0.15 . 1 . . . . 789 VAL N . 10017 1 813 . 1 1 233 233 ASN H H 1 8.34 0.02 . 1 . . . . 790 ASN H . 10017 1 814 . 1 1 233 233 ASN C C 13 175.23 0.02 . 1 . . . . 790 ASN C . 10017 1 815 . 1 1 233 233 ASN CA C 13 51.9 0.02 . 1 . . . . 790 ASN CA . 10017 1 816 . 1 1 233 233 ASN CB C 13 37.86 0.73 . 1 . . . . 790 ASN CB . 10017 1 817 . 1 1 233 233 ASN N N 15 118.64 0.43 . 1 . . . . 790 ASN N . 10017 1 818 . 1 1 234 234 ALA H H 1 7.85 0.02 . 1 . . . . 791 ALA H . 10017 1 819 . 1 1 234 234 ALA C C 13 177.1 0.02 . 1 . . . . 791 ALA C . 10017 1 820 . 1 1 234 234 ALA CA C 13 52.86 0.05 . 1 . . . . 791 ALA CA . 10017 1 821 . 1 1 234 234 ALA CB C 13 18.2 0.16 . 1 . . . . 791 ALA CB . 10017 1 822 . 1 1 234 234 ALA N N 15 126.49 0.13 . 1 . . . . 791 ALA N . 10017 1 823 . 1 1 235 235 ASP H H 1 8.25 0.02 . 1 . . . . 792 ASP H . 10017 1 824 . 1 1 235 235 ASP C C 13 175.67 0.02 . 1 . . . . 792 ASP C . 10017 1 825 . 1 1 235 235 ASP CA C 13 57.33 0.07 . 1 . . . . 792 ASP CA . 10017 1 826 . 1 1 235 235 ASP CB C 13 41.24 0.14 . 1 . . . . 792 ASP CB . 10017 1 827 . 1 1 235 235 ASP N N 15 122.81 0.22 . 1 . . . . 792 ASP N . 10017 1 828 . 1 1 236 236 GLN H H 1 7.43 0.02 . 1 . . . . 793 GLN H . 10017 1 829 . 1 1 236 236 GLN C C 13 171.59 0.03 . 1 . . . . 793 GLN C . 10017 1 830 . 1 1 236 236 GLN CA C 13 55.26 0.05 . 1 . . . . 793 GLN CA . 10017 1 831 . 1 1 236 236 GLN CB C 13 32.14 0.02 . 1 . . . . 793 GLN CB . 10017 1 832 . 1 1 236 236 GLN N N 15 115.76 0.07 . 1 . . . . 793 GLN N . 10017 1 833 . 1 1 237 237 ILE H H 1 8.54 0.02 . 1 . . . . 794 ILE H . 10017 1 834 . 1 1 237 237 ILE C C 13 174.12 0.02 . 1 . . . . 794 ILE C . 10017 1 835 . 1 1 237 237 ILE CA C 13 60.16 0.15 . 1 . . . . 794 ILE CA . 10017 1 836 . 1 1 237 237 ILE CB C 13 38.47 0.11 . 1 . . . . 794 ILE CB . 10017 1 837 . 1 1 237 237 ILE N N 15 128.84 0.14 . 1 . . . . 794 ILE N . 10017 1 838 . 1 1 238 238 LEU H H 1 9.01 0.02 . 1 . . . . 795 LEU H . 10017 1 839 . 1 1 238 238 LEU C C 13 174.38 0.09 . 1 . . . . 795 LEU C . 10017 1 840 . 1 1 238 238 LEU CA C 13 52.49 0.02 . 1 . . . . 795 LEU CA . 10017 1 841 . 1 1 238 238 LEU CB C 13 42 0.26 . 1 . . . . 795 LEU CB . 10017 1 842 . 1 1 238 238 LEU N N 15 127.08 0.09 . 1 . . . . 795 LEU N . 10017 1 843 . 1 1 239 239 VAL H H 1 8.4 0.02 . 1 . . . . 796 VAL H . 10017 1 844 . 1 1 239 239 VAL C C 13 174.51 0.03 . 1 . . . . 796 VAL C . 10017 1 845 . 1 1 239 239 VAL CA C 13 59.9 0.04 . 1 . . . . 796 VAL CA . 10017 1 846 . 1 1 239 239 VAL CB C 13 30.61 0.6 . 1 . . . . 796 VAL CB . 10017 1 847 . 1 1 239 239 VAL N N 15 124.93 0.14 . 1 . . . . 796 VAL N . 10017 1 848 . 1 1 240 240 ILE H H 1 9.27 0.02 . 1 . . . . 797 ILE H . 10017 1 849 . 1 1 240 240 ILE C C 13 173.33 0.03 . 1 . . . . 797 ILE C . 10017 1 850 . 1 1 240 240 ILE CA C 13 56.84 0.02 . 1 . . . . 797 ILE CA . 10017 1 851 . 1 1 240 240 ILE CB C 13 37.48 0.14 . 1 . . . . 797 ILE CB . 10017 1 852 . 1 1 240 240 ILE N N 15 131.47 0.19 . 1 . . . . 797 ILE N . 10017 1 853 . 1 1 241 241 LYS H H 1 8.65 0.02 . 1 . . . . 798 LYS H . 10017 1 854 . 1 1 241 241 LYS C C 13 176.56 0.04 . 1 . . . . 798 LYS C . 10017 1 855 . 1 1 241 241 LYS CA C 13 55.75 0.04 . 1 . . . . 798 LYS CA . 10017 1 856 . 1 1 241 241 LYS CB C 13 35.23 0.02 . 1 . . . . 798 LYS CB . 10017 1 857 . 1 1 241 241 LYS N N 15 124.85 0.22 . 1 . . . . 798 LYS N . 10017 1 858 . 1 1 242 242 ASP H H 1 9.55 0.02 . 1 . . . . 799 ASP H . 10017 1 859 . 1 1 242 242 ASP C C 13 175.5 0.02 . 1 . . . . 799 ASP C . 10017 1 860 . 1 1 242 242 ASP CA C 13 55.27 0.31 . 1 . . . . 799 ASP CA . 10017 1 861 . 1 1 242 242 ASP CB C 13 38.97 0.44 . 1 . . . . 799 ASP CB . 10017 1 862 . 1 1 242 242 ASP N N 15 129.22 0.12 . 1 . . . . 799 ASP N . 10017 1 863 . 1 1 243 243 GLY H H 1 8.15 0.02 . 1 . . . . 800 GLY H . 10017 1 864 . 1 1 243 243 GLY C C 13 172.24 0.02 . 1 . . . . 800 GLY C . 10017 1 865 . 1 1 243 243 GLY CA C 13 46.73 0.03 . 1 . . . . 800 GLY CA . 10017 1 866 . 1 1 243 243 GLY N N 15 105.51 0.04 . 1 . . . . 800 GLY N . 10017 1 867 . 1 1 244 244 CYS H H 1 7.53 0.02 . 1 . . . . 801 CYS H . 10017 1 868 . 1 1 244 244 CYS C C 13 173.91 0.02 . 1 . . . . 801 CYS C . 10017 1 869 . 1 1 244 244 CYS CA C 13 55.59 0.06 . 1 . . . . 801 CYS CA . 10017 1 870 . 1 1 244 244 CYS CB C 13 30.32 0.02 . 1 . . . . 801 CYS CB . 10017 1 871 . 1 1 244 244 CYS N N 15 116.62 0.1 . 1 . . . . 801 CYS N . 10017 1 872 . 1 1 245 245 ILE H H 1 9.02 0.02 . 1 . . . . 802 ILE H . 10017 1 873 . 1 1 245 245 ILE C C 13 177.13 0.03 . 1 . . . . 802 ILE C . 10017 1 874 . 1 1 245 245 ILE CA C 13 60.39 0.06 . 1 . . . . 802 ILE CA . 10017 1 875 . 1 1 245 245 ILE CB C 13 35.6 0.25 . 1 . . . . 802 ILE CB . 10017 1 876 . 1 1 245 245 ILE N N 15 124.34 0.14 . 1 . . . . 802 ILE N . 10017 1 877 . 1 1 246 246 VAL H H 1 8.99 0.02 . 1 . . . . 803 VAL H . 10017 1 878 . 1 1 246 246 VAL C C 13 176.01 0.04 . 1 . . . . 803 VAL C . 10017 1 879 . 1 1 246 246 VAL CA C 13 61.83 0.17 . 1 . . . . 803 VAL CA . 10017 1 880 . 1 1 246 246 VAL CB C 13 31.77 0.64 . 1 . . . . 803 VAL CB . 10017 1 881 . 1 1 246 246 VAL N N 15 126.25 0.2 . 1 . . . . 803 VAL N . 10017 1 882 . 1 1 247 247 GLU H H 1 7.52 0.02 . 1 . . . . 804 GLU H . 10017 1 883 . 1 1 247 247 GLU C C 13 173.39 0.04 . 1 . . . . 804 GLU C . 10017 1 884 . 1 1 247 247 GLU CA C 13 55 0.02 . 1 . . . . 804 GLU CA . 10017 1 885 . 1 1 247 247 GLU CB C 13 33.5 0.06 . 1 . . . . 804 GLU CB . 10017 1 886 . 1 1 247 247 GLU N N 15 120.59 0.17 . 1 . . . . 804 GLU N . 10017 1 887 . 1 1 248 248 ARG H H 1 8.23 0.02 . 1 . . . . 805 ARG H . 10017 1 888 . 1 1 248 248 ARG C C 13 174.47 0.02 . 1 . . . . 805 ARG C . 10017 1 889 . 1 1 248 248 ARG CA C 13 53.76 0.04 . 1 . . . . 805 ARG CA . 10017 1 890 . 1 1 248 248 ARG CB C 13 33.51 0.19 . 1 . . . . 805 ARG CB . 10017 1 891 . 1 1 248 248 ARG N N 15 118.69 0.17 . 1 . . . . 805 ARG N . 10017 1 892 . 1 1 249 249 GLY H H 1 8.65 0.02 . 1 . . . . 806 GLY H . 10017 1 893 . 1 1 249 249 GLY C C 13 171.41 0.05 . 1 . . . . 806 GLY C . 10017 1 894 . 1 1 249 249 GLY CA C 13 44.64 0.02 . 1 . . . . 806 GLY CA . 10017 1 895 . 1 1 249 249 GLY N N 15 111.64 0.19 . 1 . . . . 806 GLY N . 10017 1 896 . 1 1 250 250 ARG H H 1 7.84 0.02 . 1 . . . . 807 ARG H . 10017 1 897 . 1 1 250 250 ARG C C 13 176.07 0.03 . 1 . . . . 807 ARG C . 10017 1 898 . 1 1 250 250 ARG CA C 13 55.27 0.02 . 1 . . . . 807 ARG CA . 10017 1 899 . 1 1 250 250 ARG CB C 13 30.76 0.31 . 1 . . . . 807 ARG CB . 10017 1 900 . 1 1 250 250 ARG N N 15 120.51 0.06 . 1 . . . . 807 ARG N . 10017 1 901 . 1 1 251 251 HIS H H 1 8.68 0.02 . 1 . . . . 808 HIS H . 10017 1 902 . 1 1 251 251 HIS C C 13 175.51 0.02 . 1 . . . . 808 HIS C . 10017 1 903 . 1 1 251 251 HIS CA C 13 60.21 0.02 . 1 . . . . 808 HIS CA . 10017 1 904 . 1 1 251 251 HIS CB C 13 31.12 0.25 . 1 . . . . 808 HIS CB . 10017 1 905 . 1 1 251 251 HIS N N 15 123.43 0.13 . 1 . . . . 808 HIS N . 10017 1 906 . 1 1 252 252 GLU H H 1 8.94 0.02 . 1 . . . . 809 GLU H . 10017 1 907 . 1 1 252 252 GLU C C 13 179.04 0.02 . 1 . . . . 809 GLU C . 10017 1 908 . 1 1 252 252 GLU CA C 13 59.64 0.07 . 1 . . . . 809 GLU CA . 10017 1 909 . 1 1 252 252 GLU CB C 13 27.23 0.48 . 1 . . . . 809 GLU CB . 10017 1 910 . 1 1 252 252 GLU N N 15 117.19 0.1 . 1 . . . . 809 GLU N . 10017 1 911 . 1 1 253 253 ALA H H 1 6.91 0.04 . 1 . . . . 810 ALA H . 10017 1 912 . 1 1 253 253 ALA C C 13 180.63 0.03 . 1 . . . . 810 ALA C . 10017 1 913 . 1 1 253 253 ALA CA C 13 53.53 0.28 . 1 . . . . 810 ALA CA . 10017 1 914 . 1 1 253 253 ALA CB C 13 17.81 0.02 . 1 . . . . 810 ALA CB . 10017 1 915 . 1 1 253 253 ALA N N 15 124.34 0.16 . 1 . . . . 810 ALA N . 10017 1 916 . 1 1 254 254 LEU H H 1 8.11 0.02 . 1 . . . . 811 LEU H . 10017 1 917 . 1 1 254 254 LEU C C 13 180.67 0.1 . 1 . . . . 811 LEU C . 10017 1 918 . 1 1 254 254 LEU CA C 13 56.75 0.11 . 1 . . . . 811 LEU CA . 10017 1 919 . 1 1 254 254 LEU CB C 13 40.59 0.06 . 1 . . . . 811 LEU CB . 10017 1 920 . 1 1 254 254 LEU N N 15 122.03 0.29 . 1 . . . . 811 LEU N . 10017 1 921 . 1 1 255 255 LEU H H 1 8.19 0.02 . 1 . . . . 812 LEU H . 10017 1 922 . 1 1 255 255 LEU C C 13 179.95 0.02 . 1 . . . . 812 LEU C . 10017 1 923 . 1 1 255 255 LEU CA C 13 57.43 0.07 . 1 . . . . 812 LEU CA . 10017 1 924 . 1 1 255 255 LEU CB C 13 40 0.16 . 1 . . . . 812 LEU CB . 10017 1 925 . 1 1 255 255 LEU N N 15 122.56 0.14 . 1 . . . . 812 LEU N . 10017 1 926 . 1 1 256 256 SER H H 1 7.46 0.02 . 1 . . . . 813 SER H . 10017 1 927 . 1 1 256 256 SER C C 13 175.26 0.05 . 1 . . . . 813 SER C . 10017 1 928 . 1 1 256 256 SER CA C 13 60.22 0.03 . 1 . . . . 813 SER CA . 10017 1 929 . 1 1 256 256 SER CB C 13 62.63 0.08 . 1 . . . . 813 SER CB . 10017 1 930 . 1 1 256 256 SER N N 15 116.4 0.08 . 1 . . . . 813 SER N . 10017 1 931 . 1 1 257 257 ARG H H 1 7.37 0.02 . 1 . . . . 814 ARG H . 10017 1 932 . 1 1 257 257 ARG C C 13 178.38 0.02 . 1 . . . . 814 ARG C . 10017 1 933 . 1 1 257 257 ARG CA C 13 56.72 0.05 . 1 . . . . 814 ARG CA . 10017 1 934 . 1 1 257 257 ARG CB C 13 29.49 0.17 . 1 . . . . 814 ARG CB . 10017 1 935 . 1 1 257 257 ARG N N 15 121.55 0.13 . 1 . . . . 814 ARG N . 10017 1 936 . 1 1 258 258 GLY H H 1 7.26 0.02 . 1 . . . . 815 GLY H . 10017 1 937 . 1 1 258 258 GLY C C 13 173.89 0.04 . 1 . . . . 815 GLY C . 10017 1 938 . 1 1 258 258 GLY CA C 13 46.42 0.03 . 1 . . . . 815 GLY CA . 10017 1 939 . 1 1 258 258 GLY N N 15 106.13 0.1 . 1 . . . . 815 GLY N . 10017 1 940 . 1 1 259 259 GLY H H 1 8.36 0.02 . 1 . . . . 816 GLY H . 10017 1 941 . 1 1 259 259 GLY C C 13 173.9 0.04 . 1 . . . . 816 GLY C . 10017 1 942 . 1 1 259 259 GLY CA C 13 43.64 0.09 . 1 . . . . 816 GLY CA . 10017 1 943 . 1 1 259 259 GLY N N 15 113.32 0.2 . 1 . . . . 816 GLY N . 10017 1 944 . 1 1 260 260 VAL H H 1 9.62 0.02 . 1 . . . . 817 VAL H . 10017 1 945 . 1 1 260 260 VAL C C 13 179.07 0.03 . 1 . . . . 817 VAL C . 10017 1 946 . 1 1 260 260 VAL N N 15 129.66 0.07 . 1 . . . . 817 VAL N . 10017 1 947 . 1 1 261 261 TYR H H 1 9.27 0.02 . 1 . . . . 818 TYR H . 10017 1 948 . 1 1 261 261 TYR CA C 13 61.78 0.09 . 1 . . . . 818 TYR CA . 10017 1 949 . 1 1 261 261 TYR CB C 13 37.77 0.02 . 1 . . . . 818 TYR CB . 10017 1 950 . 1 1 261 261 TYR N N 15 124.51 0.06 . 1 . . . . 818 TYR N . 10017 1 951 . 1 1 262 262 ALA H H 1 8.17 0.02 . 1 . . . . 819 ALA H . 10017 1 952 . 1 1 262 262 ALA C C 13 179.84 0.02 . 1 . . . . 819 ALA C . 10017 1 953 . 1 1 262 262 ALA CA C 13 54.6 0.05 . 1 . . . . 819 ALA CA . 10017 1 954 . 1 1 262 262 ALA CB C 13 17.17 0.1 . 1 . . . . 819 ALA CB . 10017 1 955 . 1 1 262 262 ALA N N 15 122.05 0.12 . 1 . . . . 819 ALA N . 10017 1 956 . 1 1 263 263 ASP H H 1 8.17 0.03 . 1 . . . . 820 ASP H . 10017 1 957 . 1 1 263 263 ASP C C 13 178.85 0.05 . 1 . . . . 820 ASP C . 10017 1 958 . 1 1 263 263 ASP CA C 13 56.86 0.1 . 1 . . . . 820 ASP CA . 10017 1 959 . 1 1 263 263 ASP CB C 13 40.08 0.24 . 1 . . . . 820 ASP CB . 10017 1 960 . 1 1 263 263 ASP N N 15 121.8 0.17 . 1 . . . . 820 ASP N . 10017 1 961 . 1 1 264 264 MET H H 1 8.11 0.02 . 1 . . . . 821 MET H . 10017 1 962 . 1 1 264 264 MET C C 13 177.97 0.02 . 1 . . . . 821 MET C . 10017 1 963 . 1 1 264 264 MET CA C 13 59.06 0.02 . 1 . . . . 821 MET CA . 10017 1 964 . 1 1 264 264 MET N N 15 122.86 0.23 . 1 . . . . 821 MET N . 10017 1 965 . 1 1 265 265 TRP H H 1 8.89 0.03 . 1 . . . . 822 TRP H . 10017 1 966 . 1 1 265 265 TRP C C 13 178.28 0.03 . 1 . . . . 822 TRP C . 10017 1 967 . 1 1 265 265 TRP CA C 13 60.08 0.07 . 1 . . . . 822 TRP CA . 10017 1 968 . 1 1 265 265 TRP CB C 13 27.56 0.02 . 1 . . . . 822 TRP CB . 10017 1 969 . 1 1 265 265 TRP N N 15 122.67 0.08 . 1 . . . . 822 TRP N . 10017 1 970 . 1 1 266 266 GLN H H 1 8.17 0.02 . 1 . . . . 823 GLN H . 10017 1 971 . 1 1 266 266 GLN C C 13 178.96 0.05 . 1 . . . . 823 GLN C . 10017 1 972 . 1 1 266 266 GLN CA C 13 58.07 0.09 . 1 . . . . 823 GLN CA . 10017 1 973 . 1 1 266 266 GLN CB C 13 27.24 0.45 . 1 . . . . 823 GLN CB . 10017 1 974 . 1 1 266 266 GLN N N 15 119.76 0.12 . 1 . . . . 823 GLN N . 10017 1 975 . 1 1 267 267 LEU H H 1 7.65 0.02 . 1 . . . . 824 LEU H . 10017 1 976 . 1 1 267 267 LEU C C 13 179.15 0.16 . 1 . . . . 824 LEU C . 10017 1 977 . 1 1 267 267 LEU CA C 13 56.99 0.09 . 1 . . . . 824 LEU CA . 10017 1 978 . 1 1 267 267 LEU CB C 13 40.78 0.08 . 1 . . . . 824 LEU CB . 10017 1 979 . 1 1 267 267 LEU N N 15 121.99 0.16 . 1 . . . . 824 LEU N . 10017 1 980 . 1 1 268 268 GLN H H 1 7.6 0.02 . 1 . . . . 825 GLN H . 10017 1 981 . 1 1 268 268 GLN C C 13 177.54 0.02 . 1 . . . . 825 GLN C . 10017 1 982 . 1 1 268 268 GLN CA C 13 57.18 0.1 . 1 . . . . 825 GLN CA . 10017 1 983 . 1 1 268 268 GLN CB C 13 27.08 0.03 . 1 . . . . 825 GLN CB . 10017 1 984 . 1 1 268 268 GLN N N 15 118.71 0.11 . 1 . . . . 825 GLN N . 10017 1 985 . 1 1 269 269 GLN H H 1 7.8 0.02 . 1 . . . . 826 GLN H . 10017 1 986 . 1 1 269 269 GLN C C 13 177.22 0.02 . 1 . . . . 826 GLN C . 10017 1 987 . 1 1 269 269 GLN CA C 13 55.91 0.03 . 1 . . . . 826 GLN CA . 10017 1 988 . 1 1 269 269 GLN CB C 13 27.58 0.04 . 1 . . . . 826 GLN CB . 10017 1 989 . 1 1 269 269 GLN N N 15 120.38 0.12 . 1 . . . . 826 GLN N . 10017 1 990 . 1 1 270 270 GLY H H 1 7.76 0.02 . 1 . . . . 827 GLY H . 10017 1 991 . 1 1 270 270 GLY C C 13 174.25 0.04 . 1 . . . . 827 GLY C . 10017 1 992 . 1 1 270 270 GLY CA C 13 45.03 0.07 . 1 . . . . 827 GLY CA . 10017 1 993 . 1 1 270 270 GLY N N 15 109.61 0.11 . 1 . . . . 827 GLY N . 10017 1 994 . 1 1 271 271 GLN H H 1 7.77 0.02 . 1 . . . . 828 GLN H . 10017 1 995 . 1 1 271 271 GLN C C 13 176.01 0.03 . 1 . . . . 828 GLN C . 10017 1 996 . 1 1 271 271 GLN CA C 13 55.23 0.02 . 1 . . . . 828 GLN CA . 10017 1 997 . 1 1 271 271 GLN CB C 13 28.46 0.1 . 1 . . . . 828 GLN CB . 10017 1 998 . 1 1 271 271 GLN N N 15 121.34 0.13 . 1 . . . . 828 GLN N . 10017 1 999 . 1 1 272 272 GLU H H 1 8.17 0.02 . 1 . . . . 829 GLU H . 10017 1 1000 . 1 1 272 272 GLU C C 13 176.45 0.02 . 1 . . . . 829 GLU C . 10017 1 1001 . 1 1 272 272 GLU CA C 13 56.13 0.06 . 1 . . . . 829 GLU CA . 10017 1 1002 . 1 1 272 272 GLU CB C 13 29.23 0.28 . 1 . . . . 829 GLU CB . 10017 1 1003 . 1 1 272 272 GLU N N 15 123.74 0.11 . 1 . . . . 829 GLU N . 10017 1 1004 . 1 1 273 273 GLU H H 1 8.35 0.02 . 1 . . . . 830 GLU H . 10017 1 1005 . 1 1 273 273 GLU C C 13 176.51 0.02 . 1 . . . . 830 GLU C . 10017 1 1006 . 1 1 273 273 GLU CA C 13 56.03 0.03 . 1 . . . . 830 GLU CA . 10017 1 1007 . 1 1 273 273 GLU CB C 13 29.39 0.2 . 1 . . . . 830 GLU CB . 10017 1 1008 . 1 1 273 273 GLU N N 15 124.29 0.09 . 1 . . . . 830 GLU N . 10017 1 1009 . 1 1 274 274 THR H H 1 8.17 0.02 . 1 . . . . 831 THR H . 10017 1 1010 . 1 1 274 274 THR C C 13 174.37 0.02 . 1 . . . . 831 THR C . 10017 1 1011 . 1 1 274 274 THR CA C 13 60.96 0.08 . 1 . . . . 831 THR CA . 10017 1 1012 . 1 1 274 274 THR CB C 13 69.23 0.09 . 1 . . . . 831 THR CB . 10017 1 1013 . 1 1 274 274 THR N N 15 117.56 0.13 . 1 . . . . 831 THR N . 10017 1 1014 . 1 1 275 275 SER H H 1 8.31 0.02 . 1 . . . . 832 SER H . 10017 1 1015 . 1 1 275 275 SER C C 13 174.52 0.02 . 1 . . . . 832 SER C . 10017 1 1016 . 1 1 275 275 SER CA C 13 57.76 0.02 . 1 . . . . 832 SER CA . 10017 1 1017 . 1 1 275 275 SER CB C 13 63.45 0.1 . 1 . . . . 832 SER CB . 10017 1 1018 . 1 1 275 275 SER N N 15 120.61 0.14 . 1 . . . . 832 SER N . 10017 1 1019 . 1 1 276 276 GLU H H 1 8.46 0.02 . 1 . . . . 833 GLU H . 10017 1 1020 . 1 1 276 276 GLU C C 13 176.15 0.02 . 1 . . . . 833 GLU C . 10017 1 1021 . 1 1 276 276 GLU CA C 13 56.16 0.02 . 1 . . . . 833 GLU CA . 10017 1 1022 . 1 1 276 276 GLU CB C 13 29.27 0.23 . 1 . . . . 833 GLU CB . 10017 1 1023 . 1 1 276 276 GLU N N 15 125.18 0.11 . 1 . . . . 833 GLU N . 10017 1 1024 . 1 1 277 277 ASP H H 1 8.29 0.02 . 1 . . . . 834 ASP H . 10017 1 1025 . 1 1 277 277 ASP C C 13 176.24 0.05 . 1 . . . . 834 ASP C . 10017 1 1026 . 1 1 277 277 ASP CA C 13 53.96 0.03 . 1 . . . . 834 ASP CA . 10017 1 1027 . 1 1 277 277 ASP CB C 13 40.4 0.02 . 1 . . . . 834 ASP CB . 10017 1 1028 . 1 1 277 277 ASP N N 15 123.22 0.12 . 1 . . . . 834 ASP N . 10017 1 1029 . 1 1 278 278 THR H H 1 7.94 0.02 . 1 . . . . 835 THR H . 10017 1 1030 . 1 1 278 278 THR C C 13 174.26 0.02 . 1 . . . . 835 THR C . 10017 1 1031 . 1 1 278 278 THR CA C 13 61.21 0.03 . 1 . . . . 835 THR CA . 10017 1 1032 . 1 1 278 278 THR CB C 13 68.94 0.14 . 1 . . . . 835 THR CB . 10017 1 1033 . 1 1 278 278 THR N N 15 116.57 0.07 . 1 . . . . 835 THR N . 10017 1 1034 . 1 1 279 279 LYS H H 1 8.16 0.02 . 1 . . . . 836 LYS H . 10017 1 1035 . 1 1 279 279 LYS CA C 13 53.87 0.02 . 1 . . . . 836 LYS CA . 10017 1 1036 . 1 1 279 279 LYS CB C 13 31.47 0.02 . 1 . . . . 836 LYS CB . 10017 1 1037 . 1 1 279 279 LYS N N 15 127.46 0.1 . 1 . . . . 836 LYS N . 10017 1 1038 . 1 1 280 280 PRO C C 13 176.87 0.02 . 1 . . . . 837 PRO C . 10017 1 1039 . 1 1 280 280 PRO CA C 13 62.54 0.03 . 1 . . . . 837 PRO CA . 10017 1 1040 . 1 1 280 280 PRO CB C 13 31.23 0.15 . 1 . . . . 837 PRO CB . 10017 1 1041 . 1 1 281 281 GLN H H 1 8.49 0.02 . 1 . . . . 838 GLN H . 10017 1 1042 . 1 1 281 281 GLN C C 13 176.11 0.06 . 1 . . . . 838 GLN C . 10017 1 1043 . 1 1 281 281 GLN CA C 13 55.26 0.04 . 1 . . . . 838 GLN CA . 10017 1 1044 . 1 1 281 281 GLN CB C 13 28.54 0.15 . 1 . . . . 838 GLN CB . 10017 1 1045 . 1 1 281 281 GLN N N 15 123.17 0.11 . 1 . . . . 838 GLN N . 10017 1 1046 . 1 1 282 282 THR H H 1 8.11 0.02 . 1 . . . . 839 THR H . 10017 1 1047 . 1 1 282 282 THR CA C 13 61.16 0.04 . 1 . . . . 839 THR CA . 10017 1 1048 . 1 1 282 282 THR CB C 13 69.09 0.05 . 1 . . . . 839 THR CB . 10017 1 1049 . 1 1 282 282 THR N N 15 117.76 0.1 . 1 . . . . 839 THR N . 10017 1 1050 . 1 1 283 283 MET H H 1 8.31 0.02 . 1 . . . . 840 MET H . 10017 1 1051 . 1 1 283 283 MET C C 13 175.75 0.02 . 1 . . . . 840 MET C . 10017 1 1052 . 1 1 283 283 MET CA C 13 54.73 0.02 . 1 . . . . 840 MET CA . 10017 1 1053 . 1 1 283 283 MET CB C 13 32.13 0.07 . 1 . . . . 840 MET CB . 10017 1 1054 . 1 1 283 283 MET N N 15 124.92 0.09 . 1 . . . . 840 MET N . 10017 1 1055 . 1 1 284 284 GLU H H 1 8.33 0.02 . 1 . . . . 841 GLU H . 10017 1 1056 . 1 1 284 284 GLU C C 13 175.24 0.02 . 1 . . . . 841 GLU C . 10017 1 1057 . 1 1 284 284 GLU CA C 13 56.06 0.02 . 1 . . . . 841 GLU CA . 10017 1 1058 . 1 1 284 284 GLU CB C 13 29.33 0.1 . 1 . . . . 841 GLU CB . 10017 1 1059 . 1 1 284 284 GLU N N 15 125.16 0.06 . 1 . . . . 841 GLU N . 10017 1 1060 . 1 1 285 285 ARG H H 1 7.88 0.02 . 1 . . . . 842 ARG H . 10017 1 1061 . 1 1 285 285 ARG C C 13 180.68 0.02 . 1 . . . . 842 ARG C . 10017 1 1062 . 1 1 285 285 ARG CA C 13 56.76 0.02 . 1 . . . . 842 ARG CA . 10017 1 1063 . 1 1 285 285 ARG CB C 13 30.2 0.02 . 1 . . . . 842 ARG CB . 10017 1 1064 . 1 1 285 285 ARG N N 15 129.42 0.07 . 1 . . . . 842 ARG N . 10017 1 stop_ save_ save_ph75_278K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ph75_278K _Assigned_chem_shift_list.Entry_ID 10017 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY-HSQC' 1 $sample_1 isotropic 10017 2 2 TROSY-HNCA 1 $sample_1 isotropic 10017 2 3 TROSY-HN(CO)CA 1 $sample_1 isotropic 10017 2 4 TROSY-HN(CA)CB 1 $sample_1 isotropic 10017 2 5 TROSY-HN(COCA)CB 1 $sample_1 isotropic 10017 2 6 TROSY-HN(CA)CO 1 $sample_1 isotropic 10017 2 7 TRSOY-HNCO 1 $sample_1 isotropic 10017 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 10017 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 GLU CA C 13 55.64 0.02 . 1 . . . . 571 GLU CA . 10017 2 2 . 1 1 15 15 THR H H 1 8.31 0.02 . 1 . . . . 572 THR H . 10017 2 3 . 1 1 15 15 THR CA C 13 60.72 0.02 . 1 . . . . 572 THR CA . 10017 2 4 . 1 1 15 15 THR CB C 13 68.26 0.02 . 1 . . . . 572 THR CB . 10017 2 5 . 1 1 15 15 THR N N 15 117.84 0.02 . 1 . . . . 572 THR N . 10017 2 6 . 1 1 17 17 VAL C C 13 175.27 0.02 . 1 . . . . 574 VAL C . 10017 2 7 . 1 1 18 18 LYS H H 1 8.94 0.02 . 1 . . . . 575 LYS H . 10017 2 8 . 1 1 18 18 LYS C C 13 176.84 0.02 . 1 . . . . 575 LYS C . 10017 2 9 . 1 1 18 18 LYS CA C 13 53.37 0.02 . 1 . . . . 575 LYS CA . 10017 2 10 . 1 1 18 18 LYS N N 15 127.66 0.02 . 1 . . . . 575 LYS N . 10017 2 11 . 1 1 19 19 ASP H H 1 8.85 0.02 . 1 . . . . 576 ASP H . 10017 2 12 . 1 1 19 19 ASP C C 13 176.73 0.02 . 1 . . . . 576 ASP C . 10017 2 13 . 1 1 19 19 ASP CA C 13 52.61 0.02 . 1 . . . . 576 ASP CA . 10017 2 14 . 1 1 19 19 ASP N N 15 125.42 0.15 . 1 . . . . 576 ASP N . 10017 2 15 . 1 1 20 20 LEU H H 1 9.04 0.02 . 1 . . . . 577 LEU H . 10017 2 16 . 1 1 20 20 LEU CA C 13 52.48 0.02 . 1 . . . . 577 LEU CA . 10017 2 17 . 1 1 20 20 LEU N N 15 128.23 0.13 . 1 . . . . 577 LEU N . 10017 2 18 . 1 1 21 21 PRO C C 13 177.88 0.09 . 1 . . . . 578 PRO C . 10017 2 19 . 1 1 21 21 PRO CA C 13 63.24 0.06 . 1 . . . . 578 PRO CA . 10017 2 20 . 1 1 22 22 GLY H H 1 8.86 0.02 . 1 . . . . 579 GLY H . 10017 2 21 . 1 1 22 22 GLY C C 13 174.07 0.04 . 1 . . . . 579 GLY C . 10017 2 22 . 1 1 22 22 GLY CA C 13 44.29 0.04 . 1 . . . . 579 GLY CA . 10017 2 23 . 1 1 22 22 GLY N N 15 114.05 0.11 . 1 . . . . 579 GLY N . 10017 2 24 . 1 1 23 23 ALA H H 1 7.68 0.02 . 1 . . . . 580 ALA H . 10017 2 25 . 1 1 23 23 ALA C C 13 176.94 0.06 . 1 . . . . 580 ALA C . 10017 2 26 . 1 1 23 23 ALA CA C 13 52.49 0.12 . 1 . . . . 580 ALA CA . 10017 2 27 . 1 1 23 23 ALA N N 15 124.7 0.11 . 1 . . . . 580 ALA N . 10017 2 28 . 1 1 24 24 GLY H H 1 8.74 0.02 . 1 . . . . 581 GLY H . 10017 2 29 . 1 1 24 24 GLY C C 13 170.86 0.02 . 1 . . . . 581 GLY C . 10017 2 30 . 1 1 24 24 GLY CA C 13 42.27 0.02 . 1 . . . . 581 GLY CA . 10017 2 31 . 1 1 24 24 GLY N N 15 112.68 0.14 . 1 . . . . 581 GLY N . 10017 2 32 . 1 1 26 26 LEU C C 13 175.42 0.02 . 1 . . . . 583 LEU C . 10017 2 33 . 1 1 27 27 ARG H H 1 9.64 0.02 . 1 . . . . 584 ARG H . 10017 2 34 . 1 1 27 27 ARG C C 13 174.83 0.06 . 1 . . . . 584 ARG C . 10017 2 35 . 1 1 27 27 ARG CA C 13 53.83 0.1 . 1 . . . . 584 ARG CA . 10017 2 36 . 1 1 27 27 ARG N N 15 132.72 0.09 . 1 . . . . 584 ARG N . 10017 2 37 . 1 1 28 28 PHE H H 1 8.58 0.02 . 1 . . . . 585 PHE H . 10017 2 38 . 1 1 28 28 PHE C C 13 174.65 0.05 . 1 . . . . 585 PHE C . 10017 2 39 . 1 1 28 28 PHE CA C 13 58.73 0.1 . 1 . . . . 585 PHE CA . 10017 2 40 . 1 1 28 28 PHE N N 15 130.04 0.13 . 1 . . . . 585 PHE N . 10017 2 41 . 1 1 29 29 GLN H H 1 8.66 0.02 . 1 . . . . 586 GLN H . 10017 2 42 . 1 1 29 29 GLN C C 13 173.29 0.02 . 1 . . . . 586 GLN C . 10017 2 43 . 1 1 29 29 GLN CA C 13 55.18 0.02 . 1 . . . . 586 GLN CA . 10017 2 44 . 1 1 29 29 GLN N N 15 131.79 0.28 . 1 . . . . 586 GLN N . 10017 2 45 . 1 1 30 30 LYS H H 1 7.92 0.02 . 1 . . . . 587 LYS H . 10017 2 46 . 1 1 30 30 LYS CA C 13 54.77 0.02 . 1 . . . . 587 LYS CA . 10017 2 47 . 1 1 30 30 LYS N N 15 119.12 0.09 . 1 . . . . 587 LYS N . 10017 2 48 . 1 1 31 31 GLY H H 1 9.53 0.02 . 1 . . . . 588 GLY H . 10017 2 49 . 1 1 31 31 GLY C C 13 173.21 0.02 . 1 . . . . 588 GLY C . 10017 2 50 . 1 1 31 31 GLY CA C 13 47.02 0.02 . 1 . . . . 588 GLY CA . 10017 2 51 . 1 1 31 31 GLY N N 15 115.74 0.02 . 1 . . . . 588 GLY N . 10017 2 52 . 1 1 32 32 ARG H H 1 8.96 0.02 . 1 . . . . 589 ARG H . 10017 2 53 . 1 1 32 32 ARG C C 13 175.93 0.02 . 1 . . . . 589 ARG C . 10017 2 54 . 1 1 32 32 ARG CA C 13 54.95 0.02 . 1 . . . . 589 ARG CA . 10017 2 55 . 1 1 32 32 ARG CB C 13 29.62 0.02 . 1 . . . . 589 ARG CB . 10017 2 56 . 1 1 32 32 ARG N N 15 126.03 0.12 . 1 . . . . 589 ARG N . 10017 2 57 . 1 1 33 33 ILE H H 1 8.99 0.02 . 1 . . . . 590 ILE H . 10017 2 58 . 1 1 33 33 ILE C C 13 174.21 0.1 . 1 . . . . 590 ILE C . 10017 2 59 . 1 1 33 33 ILE CA C 13 59.77 0.08 . 1 . . . . 590 ILE CA . 10017 2 60 . 1 1 33 33 ILE N N 15 130.45 0.11 . 1 . . . . 590 ILE N . 10017 2 61 . 1 1 34 34 GLU H H 1 9.35 0.02 . 1 . . . . 591 GLU H . 10017 2 62 . 1 1 34 34 GLU C C 13 173.76 0.05 . 1 . . . . 591 GLU C . 10017 2 63 . 1 1 34 34 GLU CA C 13 54.02 0.02 . 1 . . . . 591 GLU CA . 10017 2 64 . 1 1 34 34 GLU CB C 13 32.81 0.02 . 1 . . . . 591 GLU CB . 10017 2 65 . 1 1 34 34 GLU N N 15 127.35 0.27 . 1 . . . . 591 GLU N . 10017 2 66 . 1 1 35 35 PHE H H 1 9.19 0.02 . 1 . . . . 592 PHE H . 10017 2 67 . 1 1 35 35 PHE C C 13 174.85 0.02 . 1 . . . . 592 PHE C . 10017 2 68 . 1 1 35 35 PHE CA C 13 55.93 0.02 . 1 . . . . 592 PHE CA . 10017 2 69 . 1 1 35 35 PHE CB C 13 38.1 0.02 . 1 . . . . 592 PHE CB . 10017 2 70 . 1 1 35 35 PHE N N 15 129.06 0.1 . 1 . . . . 592 PHE N . 10017 2 71 . 1 1 36 36 GLU H H 1 9.45 0.02 . 1 . . . . 593 GLU H . 10017 2 72 . 1 1 36 36 GLU C C 13 172.34 0.12 . 1 . . . . 593 GLU C . 10017 2 73 . 1 1 36 36 GLU CA C 13 53.96 0.02 . 1 . . . . 593 GLU CA . 10017 2 74 . 1 1 36 36 GLU N N 15 129.09 0.12 . 1 . . . . 593 GLU N . 10017 2 75 . 1 1 37 37 ASN H H 1 9.11 0.02 . 1 . . . . 594 ASN H . 10017 2 76 . 1 1 37 37 ASN C C 13 173.91 0.02 . 1 . . . . 594 ASN C . 10017 2 77 . 1 1 37 37 ASN CA C 13 53.76 0.17 . 1 . . . . 594 ASN CA . 10017 2 78 . 1 1 37 37 ASN N N 15 125.22 0.04 . 1 . . . . 594 ASN N . 10017 2 79 . 1 1 38 38 VAL H H 1 8.66 0.02 . 1 . . . . 595 VAL H . 10017 2 80 . 1 1 38 38 VAL C C 13 177.11 0.02 . 1 . . . . 595 VAL C . 10017 2 81 . 1 1 38 38 VAL CA C 13 64.29 0.08 . 1 . . . . 595 VAL CA . 10017 2 82 . 1 1 38 38 VAL N N 15 121.22 0.09 . 1 . . . . 595 VAL N . 10017 2 83 . 1 1 39 39 HIS H H 1 8.33 0.02 . 1 . . . . 596 HIS H . 10017 2 84 . 1 1 39 39 HIS C C 13 173.28 0.02 . 1 . . . . 596 HIS C . 10017 2 85 . 1 1 39 39 HIS CA C 13 53.52 0.18 . 1 . . . . 596 HIS CA . 10017 2 86 . 1 1 39 39 HIS N N 15 125.83 0.06 . 1 . . . . 596 HIS N . 10017 2 87 . 1 1 40 40 PHE H H 1 8.48 0.02 . 1 . . . . 597 PHE H . 10017 2 88 . 1 1 40 40 PHE C C 13 172.26 0.02 . 1 . . . . 597 PHE C . 10017 2 89 . 1 1 40 40 PHE CA C 13 57.67 0.12 . 1 . . . . 597 PHE CA . 10017 2 90 . 1 1 40 40 PHE CB C 13 40.11 0.02 . 1 . . . . 597 PHE CB . 10017 2 91 . 1 1 40 40 PHE N N 15 122.71 0.05 . 1 . . . . 597 PHE N . 10017 2 92 . 1 1 41 41 SER H H 1 7.49 0.03 . 1 . . . . 598 SER H . 10017 2 93 . 1 1 41 41 SER C C 13 171.7 0.02 . 1 . . . . 598 SER C . 10017 2 94 . 1 1 41 41 SER CA C 13 56.01 0.02 . 1 . . . . 598 SER CA . 10017 2 95 . 1 1 41 41 SER N N 15 124.75 0.14 . 1 . . . . 598 SER N . 10017 2 96 . 1 1 42 42 TYR H H 1 7.6 0.02 . 1 . . . . 599 TYR H . 10017 2 97 . 1 1 42 42 TYR CA C 13 60.44 0.06 . 1 . . . . 599 TYR CA . 10017 2 98 . 1 1 42 42 TYR N N 15 124.74 0.15 . 1 . . . . 599 TYR N . 10017 2 99 . 1 1 43 43 ALA H H 1 8.25 0.02 . 1 . . . . 600 ALA H . 10017 2 100 . 1 1 43 43 ALA C C 13 175.85 0.07 . 1 . . . . 600 ALA C . 10017 2 101 . 1 1 43 43 ALA CA C 13 50.95 0.2 . 1 . . . . 600 ALA CA . 10017 2 102 . 1 1 43 43 ALA N N 15 122.48 0.16 . 1 . . . . 600 ALA N . 10017 2 103 . 1 1 44 44 ASP H H 1 8.37 0.02 . 1 . . . . 601 ASP H . 10017 2 104 . 1 1 44 44 ASP C C 13 176.45 0.02 . 1 . . . . 601 ASP C . 10017 2 105 . 1 1 44 44 ASP CA C 13 54.33 0.09 . 1 . . . . 601 ASP CA . 10017 2 106 . 1 1 44 44 ASP N N 15 120.18 0.17 . 1 . . . . 601 ASP N . 10017 2 107 . 1 1 45 45 GLY H H 1 8.44 0.02 . 1 . . . . 602 GLY H . 10017 2 108 . 1 1 45 45 GLY C C 13 173.51 0.02 . 1 . . . . 602 GLY C . 10017 2 109 . 1 1 45 45 GLY CA C 13 44.13 0.06 . 1 . . . . 602 GLY CA . 10017 2 110 . 1 1 45 45 GLY N N 15 112.13 0.18 . 1 . . . . 602 GLY N . 10017 2 111 . 1 1 46 46 ARG H H 1 7.92 0.02 . 1 . . . . 603 ARG H . 10017 2 112 . 1 1 46 46 ARG C C 13 175.13 0.03 . 1 . . . . 603 ARG C . 10017 2 113 . 1 1 46 46 ARG CA C 13 54.73 0.04 . 1 . . . . 603 ARG CA . 10017 2 114 . 1 1 46 46 ARG N N 15 123.72 0.09 . 1 . . . . 603 ARG N . 10017 2 115 . 1 1 47 47 GLU H H 1 8.87 0.02 . 1 . . . . 604 GLU H . 10017 2 116 . 1 1 47 47 GLU C C 13 176.28 0.02 . 1 . . . . 604 GLU C . 10017 2 117 . 1 1 47 47 GLU CA C 13 56.45 0.02 . 1 . . . . 604 GLU CA . 10017 2 118 . 1 1 47 47 GLU N N 15 127.33 0.1 . 1 . . . . 604 GLU N . 10017 2 119 . 1 1 49 49 LEU CA C 13 52.77 0.02 . 1 . . . . 606 LEU CA . 10017 2 120 . 1 1 50 50 GLN H H 1 8.7 0.02 . 1 . . . . 607 GLN H . 10017 2 121 . 1 1 50 50 GLN CA C 13 53.53 0.02 . 1 . . . . 607 GLN CA . 10017 2 122 . 1 1 50 50 GLN N N 15 122.75 0.09 . 1 . . . . 607 GLN N . 10017 2 123 . 1 1 51 51 ASP C C 13 173.33 0.02 . 1 . . . . 608 ASP C . 10017 2 124 . 1 1 51 51 ASP CA C 13 54.47 0.02 . 1 . . . . 608 ASP CA . 10017 2 125 . 1 1 52 52 VAL H H 1 8.9 0.02 . 1 . . . . 609 VAL H . 10017 2 126 . 1 1 52 52 VAL C C 13 175.33 0.02 . 1 . . . . 609 VAL C . 10017 2 127 . 1 1 52 52 VAL CA C 13 63.39 0.02 . 1 . . . . 609 VAL CA . 10017 2 128 . 1 1 52 52 VAL N N 15 123.12 0.04 . 1 . . . . 609 VAL N . 10017 2 129 . 1 1 53 53 SER H H 1 8.08 0.02 . 1 . . . . 610 SER H . 10017 2 130 . 1 1 53 53 SER C C 13 172.78 0.02 . 1 . . . . 610 SER C . 10017 2 131 . 1 1 53 53 SER CA C 13 55.37 0.02 . 1 . . . . 610 SER CA . 10017 2 132 . 1 1 53 53 SER N N 15 125.4 0.2 . 1 . . . . 610 SER N . 10017 2 133 . 1 1 54 54 PHE H H 1 8.58 0.02 . 1 . . . . 611 PHE H . 10017 2 134 . 1 1 54 54 PHE C C 13 172.43 0.02 . 1 . . . . 611 PHE C . 10017 2 135 . 1 1 54 54 PHE CA C 13 57.17 0.25 . 1 . . . . 611 PHE CA . 10017 2 136 . 1 1 54 54 PHE N N 15 119.14 0.05 . 1 . . . . 611 PHE N . 10017 2 137 . 1 1 55 55 THR H H 1 9.06 0.02 . 1 . . . . 612 THR H . 10017 2 138 . 1 1 55 55 THR C C 13 173.29 0.02 . 1 . . . . 612 THR C . 10017 2 139 . 1 1 55 55 THR CA C 13 60.62 0.02 . 1 . . . . 612 THR CA . 10017 2 140 . 1 1 55 55 THR N N 15 118.33 0.09 . 1 . . . . 612 THR N . 10017 2 141 . 1 1 56 56 VAL H H 1 9.83 0.02 . 1 . . . . 613 VAL H . 10017 2 142 . 1 1 56 56 VAL C C 13 174.75 0.02 . 1 . . . . 613 VAL C . 10017 2 143 . 1 1 56 56 VAL CA C 13 60.65 0.09 . 1 . . . . 613 VAL CA . 10017 2 144 . 1 1 56 56 VAL N N 15 129.69 0.15 . 1 . . . . 613 VAL N . 10017 2 145 . 1 1 57 57 MET H H 1 8.45 0.02 . 1 . . . . 614 MET H . 10017 2 146 . 1 1 57 57 MET C C 13 172.77 0.02 . 1 . . . . 614 MET C . 10017 2 147 . 1 1 57 57 MET CA C 13 51.92 0.02 . 1 . . . . 614 MET CA . 10017 2 148 . 1 1 57 57 MET N N 15 126.55 0.16 . 1 . . . . 614 MET N . 10017 2 149 . 1 1 58 58 PRO C C 13 176.45 0.02 . 1 . . . . 615 PRO C . 10017 2 150 . 1 1 58 58 PRO CA C 13 61.94 0.02 . 1 . . . . 615 PRO CA . 10017 2 151 . 1 1 59 59 GLY H H 1 8.56 0.02 . 1 . . . . 616 GLY H . 10017 2 152 . 1 1 59 59 GLY C C 13 173.71 0.3 . 1 . . . . 616 GLY C . 10017 2 153 . 1 1 59 59 GLY CA C 13 44.3 0.42 . 1 . . . . 616 GLY CA . 10017 2 154 . 1 1 59 59 GLY N N 15 114.49 0.12 . 1 . . . . 616 GLY N . 10017 2 155 . 1 1 60 60 GLN H H 1 8.1 0.02 . 1 . . . . 617 GLN H . 10017 2 156 . 1 1 60 60 GLN C C 13 173.99 0.02 . 1 . . . . 617 GLN C . 10017 2 157 . 1 1 60 60 GLN CA C 13 55.2 0.09 . 1 . . . . 617 GLN CA . 10017 2 158 . 1 1 60 60 GLN N N 15 121.91 0.11 . 1 . . . . 617 GLN N . 10017 2 159 . 1 1 61 61 THR H H 1 9.32 0.02 . 1 . . . . 618 THR H . 10017 2 160 . 1 1 61 61 THR C C 13 173.4 0.02 . 1 . . . . 618 THR C . 10017 2 161 . 1 1 61 61 THR CA C 13 60.98 0.02 . 1 . . . . 618 THR CA . 10017 2 162 . 1 1 61 61 THR N N 15 115.92 0.02 . 1 . . . . 618 THR N . 10017 2 163 . 1 1 62 62 LEU H H 1 9.07 0.02 . 1 . . . . 619 LEU H . 10017 2 164 . 1 1 62 62 LEU C C 13 173.34 0.02 . 1 . . . . 619 LEU C . 10017 2 165 . 1 1 62 62 LEU CA C 13 51.96 0.02 . 1 . . . . 619 LEU CA . 10017 2 166 . 1 1 62 62 LEU N N 15 132.84 0.24 . 1 . . . . 619 LEU N . 10017 2 167 . 1 1 63 63 ALA H H 1 9.1 0.02 . 1 . . . . 620 ALA H . 10017 2 168 . 1 1 63 63 ALA C C 13 174.69 0.07 . 1 . . . . 620 ALA C . 10017 2 169 . 1 1 63 63 ALA CA C 13 48.35 0.15 . 1 . . . . 620 ALA CA . 10017 2 170 . 1 1 63 63 ALA N N 15 130.25 0.11 . 1 . . . . 620 ALA N . 10017 2 171 . 1 1 64 64 LEU H H 1 9.04 0.02 . 1 . . . . 621 LEU H . 10017 2 172 . 1 1 64 64 LEU C C 13 174.75 0.26 . 1 . . . . 621 LEU C . 10017 2 173 . 1 1 64 64 LEU CA C 13 52.25 0.02 . 1 . . . . 621 LEU CA . 10017 2 174 . 1 1 64 64 LEU N N 15 123.72 0.14 . 1 . . . . 621 LEU N . 10017 2 175 . 1 1 65 65 VAL H H 1 8.73 0.02 . 1 . . . . 622 VAL H . 10017 2 176 . 1 1 65 65 VAL C C 13 173.72 0.12 . 1 . . . . 622 VAL C . 10017 2 177 . 1 1 65 65 VAL CA C 13 57.05 0.02 . 1 . . . . 622 VAL CA . 10017 2 178 . 1 1 65 65 VAL N N 15 116.65 0.19 . 1 . . . . 622 VAL N . 10017 2 179 . 1 1 66 66 GLY H H 1 8.83 0.02 . 1 . . . . 623 GLY H . 10017 2 180 . 1 1 66 66 GLY CA C 13 43.71 0.02 . 1 . . . . 623 GLY CA . 10017 2 181 . 1 1 66 66 GLY N N 15 110.44 0.06 . 1 . . . . 623 GLY N . 10017 2 182 . 1 1 67 67 PRO C C 13 176.37 0.02 . 1 . . . . 624 PRO C . 10017 2 183 . 1 1 68 68 SER H H 1 8.85 0.04 . 1 . . . . 625 SER H . 10017 2 184 . 1 1 68 68 SER C C 13 175.78 0.02 . 1 . . . . 625 SER C . 10017 2 185 . 1 1 68 68 SER CA C 13 59.38 0.1 . 1 . . . . 625 SER CA . 10017 2 186 . 1 1 68 68 SER N N 15 118.73 0.06 . 1 . . . . 625 SER N . 10017 2 187 . 1 1 69 69 GLY H H 1 11.57 0.03 . 1 . . . . 626 GLY H . 10017 2 188 . 1 1 69 69 GLY CA C 13 44.54 0.02 . 1 . . . . 626 GLY CA . 10017 2 189 . 1 1 69 69 GLY N N 15 121.67 0.02 . 1 . . . . 626 GLY N . 10017 2 190 . 1 1 83 83 TYR C C 13 173.9 0.02 . 1 . . . . 640 TYR C . 10017 2 191 . 1 1 84 84 ASP H H 1 8.8 0.02 . 1 . . . . 641 ASP H . 10017 2 192 . 1 1 84 84 ASP C C 13 176.27 0.02 . 1 . . . . 641 ASP C . 10017 2 193 . 1 1 84 84 ASP CA C 13 53.4 0.13 . 1 . . . . 641 ASP CA . 10017 2 194 . 1 1 84 84 ASP CB C 13 42.18 0.02 . 1 . . . . 641 ASP CB . 10017 2 195 . 1 1 84 84 ASP N N 15 121.46 0.23 . 1 . . . . 641 ASP N . 10017 2 196 . 1 1 85 85 ILE H H 1 8.29 0.02 . 1 . . . . 642 ILE H . 10017 2 197 . 1 1 85 85 ILE C C 13 175.67 0.03 . 1 . . . . 642 ILE C . 10017 2 198 . 1 1 85 85 ILE CA C 13 60.63 0.03 . 1 . . . . 642 ILE CA . 10017 2 199 . 1 1 85 85 ILE N N 15 114.39 0.3 . 1 . . . . 642 ILE N . 10017 2 200 . 1 1 86 86 SER H H 1 8.66 0.02 . 1 . . . . 643 SER H . 10017 2 201 . 1 1 86 86 SER C C 13 174.73 0.02 . 1 . . . . 643 SER C . 10017 2 202 . 1 1 86 86 SER CA C 13 59.01 0.07 . 1 . . . . 643 SER CA . 10017 2 203 . 1 1 86 86 SER N N 15 118.68 0.26 . 1 . . . . 643 SER N . 10017 2 204 . 1 1 87 87 SER H H 1 7.76 0.02 . 1 . . . . 644 SER H . 10017 2 205 . 1 1 87 87 SER C C 13 171.94 0.02 . 1 . . . . 644 SER C . 10017 2 206 . 1 1 87 87 SER CA C 13 57.65 0.08 . 1 . . . . 644 SER CA . 10017 2 207 . 1 1 87 87 SER N N 15 115.77 0.08 . 1 . . . . 644 SER N . 10017 2 208 . 1 1 88 88 GLY H H 1 8.54 0.02 . 1 . . . . 645 GLY H . 10017 2 209 . 1 1 88 88 GLY C C 13 173.72 0.13 . 1 . . . . 645 GLY C . 10017 2 210 . 1 1 88 88 GLY CA C 13 43.91 0.06 . 1 . . . . 645 GLY CA . 10017 2 211 . 1 1 88 88 GLY N N 15 111.11 0.42 . 1 . . . . 645 GLY N . 10017 2 212 . 1 1 89 89 CYS H H 1 8.49 0.02 . 1 . . . . 646 CYS H . 10017 2 213 . 1 1 89 89 CYS C C 13 170.99 0.02 . 1 . . . . 646 CYS C . 10017 2 214 . 1 1 89 89 CYS CA C 13 58.65 0.02 . 1 . . . . 646 CYS CA . 10017 2 215 . 1 1 89 89 CYS N N 15 121.74 0.1 . 1 . . . . 646 CYS N . 10017 2 216 . 1 1 90 90 ILE H H 1 9 0.02 . 1 . . . . 647 ILE H . 10017 2 217 . 1 1 90 90 ILE CA C 13 59.59 0.21 . 1 . . . . 647 ILE CA . 10017 2 218 . 1 1 90 90 ILE N N 15 131.7 0.06 . 1 . . . . 647 ILE N . 10017 2 219 . 1 1 91 91 ARG H H 1 9.27 0.02 . 1 . . . . 648 ARG H . 10017 2 220 . 1 1 91 91 ARG C C 13 176.28 0.02 . 1 . . . . 648 ARG C . 10017 2 221 . 1 1 91 91 ARG CA C 13 52.55 0.02 . 1 . . . . 648 ARG CA . 10017 2 222 . 1 1 91 91 ARG N N 15 125.11 0.09 . 1 . . . . 648 ARG N . 10017 2 223 . 1 1 92 92 ILE H H 1 8.27 0.02 . 1 . . . . 649 ILE H . 10017 2 224 . 1 1 92 92 ILE C C 13 175.08 0.02 . 1 . . . . 649 ILE C . 10017 2 225 . 1 1 92 92 ILE CA C 13 58.77 0.24 . 1 . . . . 649 ILE CA . 10017 2 226 . 1 1 92 92 ILE N N 15 122.16 0.15 . 1 . . . . 649 ILE N . 10017 2 227 . 1 1 93 93 ASP H H 1 9.67 0.03 . 1 . . . . 650 ASP H . 10017 2 228 . 1 1 93 93 ASP C C 13 176.83 0.02 . 1 . . . . 650 ASP C . 10017 2 229 . 1 1 93 93 ASP CA C 13 55.63 0.02 . 1 . . . . 650 ASP CA . 10017 2 230 . 1 1 93 93 ASP CB C 13 39.12 0.02 . 1 . . . . 650 ASP CB . 10017 2 231 . 1 1 93 93 ASP N N 15 129.9 0.12 . 1 . . . . 650 ASP N . 10017 2 232 . 1 1 94 94 GLY H H 1 9.39 0.02 . 1 . . . . 651 GLY H . 10017 2 233 . 1 1 94 94 GLY C C 13 173.56 0.02 . 1 . . . . 651 GLY C . 10017 2 234 . 1 1 94 94 GLY CA C 13 44.53 0.1 . 1 . . . . 651 GLY CA . 10017 2 235 . 1 1 94 94 GLY N N 15 105.52 0.07 . 1 . . . . 651 GLY N . 10017 2 236 . 1 1 95 95 GLN H H 1 8.03 0.04 . 1 . . . . 652 GLN H . 10017 2 237 . 1 1 95 95 GLN C C 13 173.84 0.02 . 1 . . . . 652 GLN C . 10017 2 238 . 1 1 95 95 GLN CA C 13 54.02 0.06 . 1 . . . . 652 GLN CA . 10017 2 239 . 1 1 95 95 GLN CB C 13 29.23 0.02 . 1 . . . . 652 GLN CB . 10017 2 240 . 1 1 95 95 GLN N N 15 125.14 0.11 . 1 . . . . 652 GLN N . 10017 2 241 . 1 1 96 96 ASP H H 1 8.54 0.02 . 1 . . . . 653 ASP H . 10017 2 242 . 1 1 96 96 ASP C C 13 179.05 0.1 . 1 . . . . 653 ASP C . 10017 2 243 . 1 1 96 96 ASP CA C 13 52.49 0.07 . 1 . . . . 653 ASP CA . 10017 2 244 . 1 1 96 96 ASP N N 15 126.28 0.15 . 1 . . . . 653 ASP N . 10017 2 245 . 1 1 97 97 ILE H H 1 8.9 0.02 . 1 . . . . 654 ILE H . 10017 2 246 . 1 1 97 97 ILE C C 13 176.38 0.02 . 1 . . . . 654 ILE C . 10017 2 247 . 1 1 97 97 ILE CA C 13 63.89 0.02 . 1 . . . . 654 ILE CA . 10017 2 248 . 1 1 97 97 ILE N N 15 126.12 0.16 . 1 . . . . 654 ILE N . 10017 2 249 . 1 1 98 98 SER H H 1 9.19 0.03 . 1 . . . . 655 SER H . 10017 2 250 . 1 1 98 98 SER CA C 13 59.52 0.02 . 1 . . . . 655 SER CA . 10017 2 251 . 1 1 98 98 SER N N 15 119.42 0.02 . 1 . . . . 655 SER N . 10017 2 252 . 1 1 99 99 GLN H H 1 7.93 0.02 . 1 . . . . 656 GLN H . 10017 2 253 . 1 1 99 99 GLN C C 13 174.37 0.02 . 1 . . . . 656 GLN C . 10017 2 254 . 1 1 99 99 GLN CA C 13 54.06 0.3 . 1 . . . . 656 GLN CA . 10017 2 255 . 1 1 99 99 GLN N N 15 122.16 0.11 . 1 . . . . 656 GLN N . 10017 2 256 . 1 1 100 100 VAL H H 1 6.71 0.04 . 1 . . . . 657 VAL H . 10017 2 257 . 1 1 100 100 VAL C C 13 177.42 0.02 . 1 . . . . 657 VAL C . 10017 2 258 . 1 1 100 100 VAL CA C 13 57.07 0.02 . 1 . . . . 657 VAL CA . 10017 2 259 . 1 1 100 100 VAL N N 15 110.89 0.22 . 1 . . . . 657 VAL N . 10017 2 260 . 1 1 101 101 THR H H 1 8.45 0.02 . 1 . . . . 658 THR H . 10017 2 261 . 1 1 101 101 THR CA C 13 60 0.14 . 1 . . . . 658 THR CA . 10017 2 262 . 1 1 101 101 THR CB C 13 66.8 0.02 . 1 . . . . 658 THR CB . 10017 2 263 . 1 1 101 101 THR N N 15 117.08 0.12 . 1 . . . . 658 THR N . 10017 2 264 . 1 1 102 102 GLN H H 1 10.57 0.02 . 1 . . . . 659 GLN H . 10017 2 265 . 1 1 102 102 GLN C C 13 177.82 0.02 . 1 . . . . 659 GLN C . 10017 2 266 . 1 1 102 102 GLN CA C 13 58.46 0.02 . 1 . . . . 659 GLN CA . 10017 2 267 . 1 1 102 102 GLN N N 15 131.06 0.02 . 1 . . . . 659 GLN N . 10017 2 268 . 1 1 103 103 ALA H H 1 9.39 0.02 . 1 . . . . 660 ALA H . 10017 2 269 . 1 1 103 103 ALA C C 13 180.84 0.02 . 1 . . . . 660 ALA C . 10017 2 270 . 1 1 103 103 ALA CA C 13 53.91 0.02 . 1 . . . . 660 ALA CA . 10017 2 271 . 1 1 103 103 ALA N N 15 122.28 0.23 . 1 . . . . 660 ALA N . 10017 2 272 . 1 1 104 104 SER H H 1 7.43 0.02 . 1 . . . . 661 SER H . 10017 2 273 . 1 1 104 104 SER CA C 13 60.36 0.02 . 1 . . . . 661 SER CA . 10017 2 274 . 1 1 104 104 SER N N 15 116.12 0.03 . 1 . . . . 661 SER N . 10017 2 275 . 1 1 105 105 LEU H H 1 7.71 0.02 . 1 . . . . 662 LEU H . 10017 2 276 . 1 1 105 105 LEU C C 13 177.21 0.02 . 1 . . . . 662 LEU C . 10017 2 277 . 1 1 105 105 LEU CA C 13 57.98 0.02 . 1 . . . . 662 LEU CA . 10017 2 278 . 1 1 105 105 LEU N N 15 128.82 0.02 . 1 . . . . 662 LEU N . 10017 2 279 . 1 1 106 106 ARG H H 1 7.92 0.04 . 1 . . . . 663 ARG H . 10017 2 280 . 1 1 106 106 ARG CA C 13 58.29 0.02 . 1 . . . . 663 ARG CA . 10017 2 281 . 1 1 106 106 ARG N N 15 114.81 0.1 . 1 . . . . 663 ARG N . 10017 2 282 . 1 1 107 107 SER C C 13 173.96 0.02 . 1 . . . . 664 SER C . 10017 2 283 . 1 1 108 108 HIS H H 1 7.05 0.02 . 1 . . . . 665 HIS H . 10017 2 284 . 1 1 108 108 HIS N N 15 118.96 0.03 . 1 . . . . 665 HIS N . 10017 2 285 . 1 1 109 109 ILE H H 1 7.28 0.02 . 1 . . . . 666 ILE H . 10017 2 286 . 1 1 109 109 ILE CA C 13 59.38 0.02 . 1 . . . . 666 ILE CA . 10017 2 287 . 1 1 109 109 ILE N N 15 120.4 0.02 . 1 . . . . 666 ILE N . 10017 2 288 . 1 1 110 110 GLY H H 1 9.17 0.02 . 1 . . . . 667 GLY H . 10017 2 289 . 1 1 110 110 GLY CA C 13 43.43 0.02 . 1 . . . . 667 GLY CA . 10017 2 290 . 1 1 110 110 GLY N N 15 116.89 0.02 . 1 . . . . 667 GLY N . 10017 2 291 . 1 1 113 113 PRO CA C 13 62.6 0.02 . 1 . . . . 670 PRO CA . 10017 2 292 . 1 1 114 114 GLN H H 1 8.52 0.02 . 1 . . . . 671 GLN H . 10017 2 293 . 1 1 114 114 GLN CA C 13 57.98 0.02 . 1 . . . . 671 GLN CA . 10017 2 294 . 1 1 114 114 GLN N N 15 122.93 0.2 . 1 . . . . 671 GLN N . 10017 2 295 . 1 1 120 120 ASN C C 13 172.07 0.02 . 1 . . . . 677 ASN C . 10017 2 296 . 1 1 121 121 ASP H H 1 8.1 0.03 . 1 . . . . 678 ASP H . 10017 2 297 . 1 1 121 121 ASP CA C 13 51.64 0.02 . 1 . . . . 678 ASP CA . 10017 2 298 . 1 1 121 121 ASP N N 15 129.27 0.02 . 1 . . . . 678 ASP N . 10017 2 299 . 1 1 122 122 THR H H 1 9.99 0.02 . 1 . . . . 679 THR H . 10017 2 300 . 1 1 122 122 THR CA C 13 61.39 0.02 . 1 . . . . 679 THR CA . 10017 2 301 . 1 1 122 122 THR N N 15 112.31 0.02 . 1 . . . . 679 THR N . 10017 2 302 . 1 1 123 123 ILE H H 1 8.93 0.02 . 1 . . . . 680 ILE H . 10017 2 303 . 1 1 123 123 ILE CA C 13 62.23 0.02 . 1 . . . . 680 ILE CA . 10017 2 304 . 1 1 123 123 ILE N N 15 123.93 0.02 . 1 . . . . 680 ILE N . 10017 2 305 . 1 1 124 124 ALA H H 1 8.08 0.02 . 1 . . . . 681 ALA H . 10017 2 306 . 1 1 124 124 ALA CA C 13 55.64 0.02 . 1 . . . . 681 ALA CA . 10017 2 307 . 1 1 124 124 ALA N N 15 125.62 0.02 . 1 . . . . 681 ALA N . 10017 2 308 . 1 1 125 125 ASP H H 1 8.39 0.02 . 1 . . . . 682 ASP H . 10017 2 309 . 1 1 125 125 ASP C C 13 178.82 0.02 . 1 . . . . 682 ASP C . 10017 2 310 . 1 1 125 125 ASP CA C 13 57.08 0.02 . 1 . . . . 682 ASP CA . 10017 2 311 . 1 1 125 125 ASP N N 15 119.24 0.04 . 1 . . . . 682 ASP N . 10017 2 312 . 1 1 133 133 THR H H 1 7.13 0.02 . 1 . . . . 690 THR H . 10017 2 313 . 1 1 133 133 THR CA C 13 60.45 0.02 . 1 . . . . 690 THR CA . 10017 2 314 . 1 1 133 133 THR N N 15 109.1 0.02 . 1 . . . . 690 THR N . 10017 2 315 . 1 1 134 134 ALA H H 1 8.33 0.02 . 1 . . . . 691 ALA H . 10017 2 316 . 1 1 134 134 ALA C C 13 178.13 0.02 . 1 . . . . 691 ALA C . 10017 2 317 . 1 1 134 134 ALA CA C 13 52.03 0.19 . 1 . . . . 691 ALA CA . 10017 2 318 . 1 1 134 134 ALA N N 15 127.76 0.13 . 1 . . . . 691 ALA N . 10017 2 319 . 1 1 135 135 GLY H H 1 9.04 0.02 . 1 . . . . 692 GLY H . 10017 2 320 . 1 1 135 135 GLY CA C 13 43.08 0.02 . 1 . . . . 692 GLY CA . 10017 2 321 . 1 1 135 135 GLY N N 15 112.29 0.12 . 1 . . . . 692 GLY N . 10017 2 322 . 1 1 137 137 ASP C C 13 178.57 0.02 . 1 . . . . 694 ASP C . 10017 2 323 . 1 1 138 138 GLU H H 1 7.55 0.02 . 1 . . . . 695 GLU H . 10017 2 324 . 1 1 138 138 GLU C C 13 179.05 0.02 . 1 . . . . 695 GLU C . 10017 2 325 . 1 1 138 138 GLU CA C 13 58.24 0.02 . 1 . . . . 695 GLU CA . 10017 2 326 . 1 1 138 138 GLU N N 15 124.67 0.1 . 1 . . . . 695 GLU N . 10017 2 327 . 1 1 139 139 VAL H H 1 7.96 0.02 . 1 . . . . 696 VAL H . 10017 2 328 . 1 1 139 139 VAL C C 13 176.46 0.02 . 1 . . . . 696 VAL C . 10017 2 329 . 1 1 139 139 VAL CA C 13 66.43 0.02 . 1 . . . . 696 VAL CA . 10017 2 330 . 1 1 139 139 VAL N N 15 124.14 0.03 . 1 . . . . 696 VAL N . 10017 2 331 . 1 1 140 140 GLU H H 1 8 0.02 . 1 . . . . 697 GLU H . 10017 2 332 . 1 1 140 140 GLU C C 13 178.5 0.02 . 1 . . . . 697 GLU C . 10017 2 333 . 1 1 140 140 GLU CA C 13 58.02 0.02 . 1 . . . . 697 GLU CA . 10017 2 334 . 1 1 140 140 GLU N N 15 120.99 0.04 . 1 . . . . 697 GLU N . 10017 2 335 . 1 1 141 141 ALA H H 1 7.88 0.02 . 1 . . . . 698 ALA H . 10017 2 336 . 1 1 141 141 ALA C C 13 181.05 0.05 . 1 . . . . 698 ALA C . 10017 2 337 . 1 1 141 141 ALA CA C 13 54.18 0.02 . 1 . . . . 698 ALA CA . 10017 2 338 . 1 1 141 141 ALA CB C 13 16.34 0.02 . 1 . . . . 698 ALA CB . 10017 2 339 . 1 1 141 141 ALA N N 15 122.58 0.19 . 1 . . . . 698 ALA N . 10017 2 340 . 1 1 142 142 ALA H H 1 8.15 0.02 . 1 . . . . 699 ALA H . 10017 2 341 . 1 1 142 142 ALA C C 13 178.73 0.02 . 1 . . . . 699 ALA C . 10017 2 342 . 1 1 142 142 ALA CA C 13 54.33 0.02 . 1 . . . . 699 ALA CA . 10017 2 343 . 1 1 142 142 ALA N N 15 125.71 0.16 . 1 . . . . 699 ALA N . 10017 2 344 . 1 1 143 143 ALA H H 1 8.64 0.02 . 1 . . . . 700 ALA H . 10017 2 345 . 1 1 143 143 ALA C C 13 180.74 0.02 . 1 . . . . 700 ALA C . 10017 2 346 . 1 1 143 143 ALA CA C 13 54.28 0.02 . 1 . . . . 700 ALA CA . 10017 2 347 . 1 1 143 143 ALA CB C 13 18.58 0.02 . 1 . . . . 700 ALA CB . 10017 2 348 . 1 1 143 143 ALA N N 15 122.48 0.02 . 1 . . . . 700 ALA N . 10017 2 349 . 1 1 144 144 GLN H H 1 8.89 0.02 . 1 . . . . 701 GLN H . 10017 2 350 . 1 1 144 144 GLN C C 13 179.62 0.04 . 1 . . . . 701 GLN C . 10017 2 351 . 1 1 144 144 GLN CA C 13 58.1 0.04 . 1 . . . . 701 GLN CA . 10017 2 352 . 1 1 144 144 GLN N N 15 122.06 0.15 . 1 . . . . 701 GLN N . 10017 2 353 . 1 1 145 145 ALA H H 1 8.14 0.03 . 1 . . . . 702 ALA H . 10017 2 354 . 1 1 145 145 ALA C C 13 179.01 0.04 . 1 . . . . 702 ALA C . 10017 2 355 . 1 1 145 145 ALA CA C 13 54.18 0.02 . 1 . . . . 702 ALA CA . 10017 2 356 . 1 1 145 145 ALA CB C 13 17.12 0.02 . 1 . . . . 702 ALA CB . 10017 2 357 . 1 1 145 145 ALA N N 15 126.47 0.33 . 1 . . . . 702 ALA N . 10017 2 358 . 1 1 146 146 ALA H H 1 8.18 0.02 . 1 . . . . 703 ALA H . 10017 2 359 . 1 1 146 146 ALA C C 13 176.42 0.02 . 1 . . . . 703 ALA C . 10017 2 360 . 1 1 146 146 ALA CA C 13 51.26 0.23 . 1 . . . . 703 ALA CA . 10017 2 361 . 1 1 146 146 ALA N N 15 120.25 0.02 . 1 . . . . 703 ALA N . 10017 2 362 . 1 1 147 147 GLY H H 1 7.78 0.02 . 1 . . . . 704 GLY H . 10017 2 363 . 1 1 147 147 GLY C C 13 174.59 0.02 . 1 . . . . 704 GLY C . 10017 2 364 . 1 1 147 147 GLY CA C 13 45.69 0.02 . 1 . . . . 704 GLY CA . 10017 2 365 . 1 1 147 147 GLY N N 15 107.59 0.09 . 1 . . . . 704 GLY N . 10017 2 366 . 1 1 148 148 ILE H H 1 8.43 0.02 . 1 . . . . 705 ILE H . 10017 2 367 . 1 1 148 148 ILE CA C 13 56.88 0.02 . 1 . . . . 705 ILE CA . 10017 2 368 . 1 1 148 148 ILE N N 15 117.93 0.02 . 1 . . . . 705 ILE N . 10017 2 369 . 1 1 149 149 HIS H H 1 7.11 0.02 . 1 . . . . 706 HIS H . 10017 2 370 . 1 1 149 149 HIS C C 13 175.19 0.02 . 1 . . . . 706 HIS C . 10017 2 371 . 1 1 149 149 HIS CA C 13 59.28 0.08 . 1 . . . . 706 HIS CA . 10017 2 372 . 1 1 149 149 HIS N N 15 126.7 0.03 . 1 . . . . 706 HIS N . 10017 2 373 . 1 1 150 150 ASP H H 1 8.54 0.02 . 1 . . . . 707 ASP H . 10017 2 374 . 1 1 150 150 ASP C C 13 178.51 0.02 . 1 . . . . 707 ASP C . 10017 2 375 . 1 1 150 150 ASP CA C 13 56.8 0.02 . 1 . . . . 707 ASP CA . 10017 2 376 . 1 1 150 150 ASP CB C 13 38.71 0.02 . 1 . . . . 707 ASP CB . 10017 2 377 . 1 1 150 150 ASP N N 15 118.77 0.23 . 1 . . . . 707 ASP N . 10017 2 378 . 1 1 151 151 ALA H H 1 7.79 0.02 . 1 . . . . 708 ALA H . 10017 2 379 . 1 1 151 151 ALA C C 13 179.18 0.13 . 1 . . . . 708 ALA C . 10017 2 380 . 1 1 151 151 ALA CA C 13 53.47 0.02 . 1 . . . . 708 ALA CA . 10017 2 381 . 1 1 151 151 ALA CB C 13 16.34 0.02 . 1 . . . . 708 ALA CB . 10017 2 382 . 1 1 151 151 ALA N N 15 124.92 0.17 . 1 . . . . 708 ALA N . 10017 2 383 . 1 1 152 152 ILE H H 1 7.32 0.02 . 1 . . . . 709 ILE H . 10017 2 384 . 1 1 152 152 ILE C C 13 178.16 0.02 . 1 . . . . 709 ILE C . 10017 2 385 . 1 1 152 152 ILE CA C 13 62.76 0.02 . 1 . . . . 709 ILE CA . 10017 2 386 . 1 1 152 152 ILE N N 15 120.19 0.12 . 1 . . . . 709 ILE N . 10017 2 387 . 1 1 153 153 MET H H 1 7.75 0.02 . 1 . . . . 710 MET H . 10017 2 388 . 1 1 153 153 MET C C 13 177.48 0.06 . 1 . . . . 710 MET C . 10017 2 389 . 1 1 153 153 MET CA C 13 54.01 0.02 . 1 . . . . 710 MET CA . 10017 2 390 . 1 1 153 153 MET N N 15 116.43 0.12 . 1 . . . . 710 MET N . 10017 2 391 . 1 1 154 154 ALA H H 1 7.01 0.02 . 1 . . . . 711 ALA H . 10017 2 392 . 1 1 154 154 ALA C C 13 178.48 0.02 . 1 . . . . 711 ALA C . 10017 2 393 . 1 1 154 154 ALA CA C 13 50.85 0.04 . 1 . . . . 711 ALA CA . 10017 2 394 . 1 1 154 154 ALA N N 15 122.11 0.12 . 1 . . . . 711 ALA N . 10017 2 395 . 1 1 155 155 PHE H H 1 7.77 0.02 . 1 . . . . 712 PHE H . 10017 2 396 . 1 1 155 155 PHE C C 13 176.84 0.02 . 1 . . . . 712 PHE C . 10017 2 397 . 1 1 155 155 PHE CA C 13 52.46 0.02 . 1 . . . . 712 PHE CA . 10017 2 398 . 1 1 155 155 PHE CB C 13 35.14 0.02 . 1 . . . . 712 PHE CB . 10017 2 399 . 1 1 155 155 PHE N N 15 124.58 0.2 . 1 . . . . 712 PHE N . 10017 2 400 . 1 1 156 156 PRO C C 13 177.59 0.02 . 1 . . . . 713 PRO C . 10017 2 401 . 1 1 157 157 GLU H H 1 7.81 0.02 . 1 . . . . 714 GLU H . 10017 2 402 . 1 1 157 157 GLU C C 13 177.28 0.02 . 1 . . . . 714 GLU C . 10017 2 403 . 1 1 157 157 GLU CA C 13 53.95 0.02 . 1 . . . . 714 GLU CA . 10017 2 404 . 1 1 157 157 GLU N N 15 114.13 0.16 . 1 . . . . 714 GLU N . 10017 2 405 . 1 1 158 158 GLY H H 1 7.71 0.02 . 1 . . . . 715 GLY H . 10017 2 406 . 1 1 158 158 GLY C C 13 177.92 0.02 . 1 . . . . 715 GLY C . 10017 2 407 . 1 1 158 158 GLY CA C 13 45.62 0.11 . 1 . . . . 715 GLY CA . 10017 2 408 . 1 1 158 158 GLY N N 15 110.87 0.12 . 1 . . . . 715 GLY N . 10017 2 409 . 1 1 159 159 TYR H H 1 9.59 0.02 . 1 . . . . 716 TYR H . 10017 2 410 . 1 1 159 159 TYR C C 13 175.41 0.02 . 1 . . . . 716 TYR C . 10017 2 411 . 1 1 159 159 TYR CA C 13 61.93 0.13 . 1 . . . . 716 TYR CA . 10017 2 412 . 1 1 159 159 TYR N N 15 128.68 0.11 . 1 . . . . 716 TYR N . 10017 2 413 . 1 1 160 160 ARG H H 1 8 0.02 . 1 . . . . 717 ARG H . 10017 2 414 . 1 1 160 160 ARG C C 13 174.98 0.02 . 1 . . . . 717 ARG C . 10017 2 415 . 1 1 160 160 ARG CA C 13 54.9 0.02 . 1 . . . . 717 ARG CA . 10017 2 416 . 1 1 160 160 ARG N N 15 118.01 0.15 . 1 . . . . 717 ARG N . 10017 2 417 . 1 1 161 161 THR H H 1 7.55 0.02 . 1 . . . . 718 THR H . 10017 2 418 . 1 1 161 161 THR C C 13 174.11 0.02 . 1 . . . . 718 THR C . 10017 2 419 . 1 1 161 161 THR CA C 13 64.03 0.05 . 1 . . . . 718 THR CA . 10017 2 420 . 1 1 161 161 THR N N 15 119.5 0.14 . 1 . . . . 718 THR N . 10017 2 421 . 1 1 162 162 GLN H H 1 9.03 0.02 . 1 . . . . 719 GLN H . 10017 2 422 . 1 1 162 162 GLN C C 13 176.16 0.03 . 1 . . . . 719 GLN C . 10017 2 423 . 1 1 162 162 GLN CA C 13 55.52 0.17 . 1 . . . . 719 GLN CA . 10017 2 424 . 1 1 162 162 GLN CB C 13 26.35 0.02 . 1 . . . . 719 GLN CB . 10017 2 425 . 1 1 162 162 GLN N N 15 129.41 0.09 . 1 . . . . 719 GLN N . 10017 2 426 . 1 1 163 163 VAL H H 1 8.31 0.02 . 1 . . . . 720 VAL H . 10017 2 427 . 1 1 163 163 VAL C C 13 174.1 0.08 . 1 . . . . 720 VAL C . 10017 2 428 . 1 1 163 163 VAL CA C 13 59.13 0.02 . 1 . . . . 720 VAL CA . 10017 2 429 . 1 1 163 163 VAL CB C 13 32.31 0.02 . 1 . . . . 720 VAL CB . 10017 2 430 . 1 1 163 163 VAL N N 15 121.03 0.17 . 1 . . . . 720 VAL N . 10017 2 431 . 1 1 164 164 GLY H H 1 8.09 0.02 . 1 . . . . 721 GLY H . 10017 2 432 . 1 1 164 164 GLY C C 13 175.05 0.14 . 1 . . . . 721 GLY C . 10017 2 433 . 1 1 164 164 GLY CA C 13 43.1 0.26 . 1 . . . . 721 GLY CA . 10017 2 434 . 1 1 164 164 GLY N N 15 107.77 0.2 . 1 . . . . 721 GLY N . 10017 2 435 . 1 1 165 165 GLU H H 1 8.46 0.02 . 1 . . . . 722 GLU H . 10017 2 436 . 1 1 165 165 GLU C C 13 177.88 0.06 . 1 . . . . 722 GLU C . 10017 2 437 . 1 1 165 165 GLU CA C 13 58.2 0.06 . 1 . . . . 722 GLU CA . 10017 2 438 . 1 1 165 165 GLU N N 15 123.14 0.23 . 1 . . . . 722 GLU N . 10017 2 439 . 1 1 166 166 ARG H H 1 8.64 0.02 . 1 . . . . 723 ARG H . 10017 2 440 . 1 1 166 166 ARG C C 13 175.7 0.02 . 1 . . . . 723 ARG C . 10017 2 441 . 1 1 166 166 ARG CA C 13 54.87 0.09 . 1 . . . . 723 ARG CA . 10017 2 442 . 1 1 166 166 ARG N N 15 117.98 0.08 . 1 . . . . 723 ARG N . 10017 2 443 . 1 1 167 167 GLY H H 1 7.39 0.02 . 1 . . . . 724 GLY H . 10017 2 444 . 1 1 167 167 GLY CA C 13 42.87 0.17 . 1 . . . . 724 GLY CA . 10017 2 445 . 1 1 167 167 GLY N N 15 111.1 0.1 . 1 . . . . 724 GLY N . 10017 2 446 . 1 1 168 168 LEU H H 1 8.3 0.02 . 1 . . . . 725 LEU H . 10017 2 447 . 1 1 168 168 LEU C C 13 172.1 0.02 . 1 . . . . 725 LEU C . 10017 2 448 . 1 1 168 168 LEU CA C 13 54.58 0.02 . 1 . . . . 725 LEU CA . 10017 2 449 . 1 1 168 168 LEU N N 15 128.05 0.06 . 1 . . . . 725 LEU N . 10017 2 450 . 1 1 169 169 LYS H H 1 8.31 0.02 . 1 . . . . 726 LYS H . 10017 2 451 . 1 1 169 169 LYS C C 13 175.56 0.02 . 1 . . . . 726 LYS C . 10017 2 452 . 1 1 169 169 LYS CA C 13 54.65 0.02 . 1 . . . . 726 LYS CA . 10017 2 453 . 1 1 169 169 LYS N N 15 127.77 0.02 . 1 . . . . 726 LYS N . 10017 2 454 . 1 1 170 170 LEU H H 1 8.12 0.02 . 1 . . . . 727 LEU H . 10017 2 455 . 1 1 170 170 LEU C C 13 176.8 0.07 . 1 . . . . 727 LEU C . 10017 2 456 . 1 1 170 170 LEU CA C 13 53.08 0.24 . 1 . . . . 727 LEU CA . 10017 2 457 . 1 1 170 170 LEU N N 15 129.29 0.1 . 1 . . . . 727 LEU N . 10017 2 458 . 1 1 171 171 SER H H 1 9.36 0.02 . 1 . . . . 728 SER H . 10017 2 459 . 1 1 171 171 SER CA C 13 56.58 0.02 . 1 . . . . 728 SER CA . 10017 2 460 . 1 1 171 171 SER N N 15 120.83 0.2 . 1 . . . . 728 SER N . 10017 2 461 . 1 1 172 172 GLY C C 13 176.41 0.02 . 1 . . . . 729 GLY C . 10017 2 462 . 1 1 173 173 GLY H H 1 8.97 0.02 . 1 . . . . 730 GLY H . 10017 2 463 . 1 1 173 173 GLY CA C 13 46.75 0.02 . 1 . . . . 730 GLY CA . 10017 2 464 . 1 1 173 173 GLY N N 15 111.09 0.02 . 1 . . . . 730 GLY N . 10017 2 465 . 1 1 174 174 GLU H H 1 7.75 0.02 . 1 . . . . 731 GLU H . 10017 2 466 . 1 1 174 174 GLU C C 13 178.58 0.02 . 1 . . . . 731 GLU C . 10017 2 467 . 1 1 174 174 GLU CA C 13 58.68 0.02 . 1 . . . . 731 GLU CA . 10017 2 468 . 1 1 174 174 GLU N N 15 123.82 0.02 . 1 . . . . 731 GLU N . 10017 2 469 . 1 1 175 175 LYS H H 1 8.75 0.03 . 1 . . . . 732 LYS H . 10017 2 470 . 1 1 175 175 LYS C C 13 178.41 0.02 . 1 . . . . 732 LYS C . 10017 2 471 . 1 1 175 175 LYS CA C 13 60.71 0.02 . 1 . . . . 732 LYS CA . 10017 2 472 . 1 1 175 175 LYS N N 15 120.14 0.12 . 1 . . . . 732 LYS N . 10017 2 473 . 1 1 177 177 ARG C C 13 178.84 0.02 . 1 . . . . 734 ARG C . 10017 2 474 . 1 1 178 178 VAL H H 1 8.23 0.02 . 1 . . . . 735 VAL H . 10017 2 475 . 1 1 178 178 VAL C C 13 177.17 0.02 . 1 . . . . 735 VAL C . 10017 2 476 . 1 1 178 178 VAL N N 15 123.82 0.02 . 1 . . . . 735 VAL N . 10017 2 477 . 1 1 179 179 ALA H H 1 7.97 0.02 . 1 . . . . 736 ALA H . 10017 2 478 . 1 1 179 179 ALA N N 15 124.33 0.02 . 1 . . . . 736 ALA N . 10017 2 479 . 1 1 186 186 LYS CA C 13 58.67 0.02 . 1 . . . . 743 LYS CA . 10017 2 480 . 1 1 187 187 ALA H H 1 8.27 0.02 . 1 . . . . 744 ALA H . 10017 2 481 . 1 1 187 187 ALA CA C 13 51.56 0.02 . 1 . . . . 744 ALA CA . 10017 2 482 . 1 1 187 187 ALA N N 15 120.5 0.03 . 1 . . . . 744 ALA N . 10017 2 483 . 1 1 189 189 GLY C C 13 173.08 0.02 . 1 . . . . 746 GLY C . 10017 2 484 . 1 1 189 189 GLY CA C 13 44.75 0.02 . 1 . . . . 746 GLY CA . 10017 2 485 . 1 1 190 190 ILE H H 1 7.97 0.02 . 1 . . . . 747 ILE H . 10017 2 486 . 1 1 190 190 ILE C C 13 173.69 0.02 . 1 . . . . 747 ILE C . 10017 2 487 . 1 1 190 190 ILE CA C 13 58.79 0.02 . 1 . . . . 747 ILE CA . 10017 2 488 . 1 1 190 190 ILE N N 15 122.58 0.14 . 1 . . . . 747 ILE N . 10017 2 489 . 1 1 191 191 ILE H H 1 9.19 0.02 . 1 . . . . 748 ILE H . 10017 2 490 . 1 1 191 191 ILE C C 13 172.66 0.02 . 1 . . . . 748 ILE C . 10017 2 491 . 1 1 191 191 ILE N N 15 129.19 0.05 . 1 . . . . 748 ILE N . 10017 2 492 . 1 1 192 192 LEU H H 1 8.89 0.02 . 1 . . . . 749 LEU H . 10017 2 493 . 1 1 192 192 LEU C C 13 174.63 0.02 . 1 . . . . 749 LEU C . 10017 2 494 . 1 1 192 192 LEU CA C 13 51.37 0.02 . 1 . . . . 749 LEU CA . 10017 2 495 . 1 1 192 192 LEU CB C 13 39.7 0.02 . 1 . . . . 749 LEU CB . 10017 2 496 . 1 1 192 192 LEU N N 15 126.41 0.15 . 1 . . . . 749 LEU N . 10017 2 497 . 1 1 193 193 LEU H H 1 9.12 0.02 . 1 . . . . 750 LEU H . 10017 2 498 . 1 1 193 193 LEU CB C 13 37.5 0.02 . 1 . . . . 750 LEU CB . 10017 2 499 . 1 1 193 193 LEU N N 15 125.58 0.18 . 1 . . . . 750 LEU N . 10017 2 500 . 1 1 200 200 LEU C C 13 176.35 0.02 . 1 . . . . 757 LEU C . 10017 2 501 . 1 1 200 200 LEU CA C 13 52.67 0.02 . 1 . . . . 757 LEU CA . 10017 2 502 . 1 1 201 201 ASP H H 1 8.36 0.02 . 1 . . . . 758 ASP H . 10017 2 503 . 1 1 201 201 ASP CA C 13 52.08 0.32 . 1 . . . . 758 ASP CA . 10017 2 504 . 1 1 201 201 ASP N N 15 122.01 0.12 . 1 . . . . 758 ASP N . 10017 2 505 . 1 1 202 202 THR H H 1 8.46 0.02 . 1 . . . . 759 THR H . 10017 2 506 . 1 1 202 202 THR N N 15 115.72 0.02 . 1 . . . . 759 THR N . 10017 2 507 . 1 1 205 205 GLU C C 13 177.34 0.02 . 1 . . . . 762 GLU C . 10017 2 508 . 1 1 206 206 ARG H H 1 8.17 0.02 . 1 . . . . 763 ARG H . 10017 2 509 . 1 1 206 206 ARG CA C 13 58.48 0.02 . 1 . . . . 763 ARG CA . 10017 2 510 . 1 1 206 206 ARG N N 15 120.29 0.05 . 1 . . . . 763 ARG N . 10017 2 511 . 1 1 207 207 ALA H H 1 7.84 0.02 . 1 . . . . 764 ALA H . 10017 2 512 . 1 1 207 207 ALA CA C 13 54.38 0.02 . 1 . . . . 764 ALA CA . 10017 2 513 . 1 1 207 207 ALA N N 15 123.71 0.02 . 1 . . . . 764 ALA N . 10017 2 514 . 1 1 213 213 ALA C C 13 180.29 0.02 . 1 . . . . 770 ALA C . 10017 2 515 . 1 1 214 214 LYS H H 1 7.33 0.02 . 1 . . . . 771 LYS H . 10017 2 516 . 1 1 214 214 LYS CA C 13 57.94 0.02 . 1 . . . . 771 LYS CA . 10017 2 517 . 1 1 214 214 LYS N N 15 118.12 0.07 . 1 . . . . 771 LYS N . 10017 2 518 . 1 1 215 215 VAL H H 1 7.71 0.02 . 1 . . . . 772 VAL H . 10017 2 519 . 1 1 215 215 VAL N N 15 120.36 0.02 . 1 . . . . 772 VAL N . 10017 2 520 . 1 1 217 217 ALA C C 13 177.64 0.02 . 1 . . . . 774 ALA C . 10017 2 521 . 1 1 217 217 ALA CA C 13 52.79 0.02 . 1 . . . . 774 ALA CA . 10017 2 522 . 1 1 218 218 ASN H H 1 9.09 0.02 . 1 . . . . 775 ASN H . 10017 2 523 . 1 1 218 218 ASN C C 13 173.69 0.02 . 1 . . . . 775 ASN C . 10017 2 524 . 1 1 218 218 ASN CA C 13 53.93 0.05 . 1 . . . . 775 ASN CA . 10017 2 525 . 1 1 218 218 ASN N N 15 116.89 0.08 . 1 . . . . 775 ASN N . 10017 2 526 . 1 1 219 219 ARG H H 1 8.01 0.02 . 1 . . . . 776 ARG H . 10017 2 527 . 1 1 219 219 ARG C C 13 177.96 0.02 . 1 . . . . 776 ARG C . 10017 2 528 . 1 1 219 219 ARG CA C 13 54.1 0.02 . 1 . . . . 776 ARG CA . 10017 2 529 . 1 1 219 219 ARG CB C 13 27.38 0.02 . 1 . . . . 776 ARG CB . 10017 2 530 . 1 1 219 219 ARG N N 15 120.83 0.16 . 1 . . . . 776 ARG N . 10017 2 531 . 1 1 220 220 THR H H 1 8.16 0.02 . 1 . . . . 777 THR H . 10017 2 532 . 1 1 220 220 THR C C 13 172.68 0.02 . 1 . . . . 777 THR C . 10017 2 533 . 1 1 220 220 THR CA C 13 63.24 0.02 . 1 . . . . 777 THR CA . 10017 2 534 . 1 1 220 220 THR N N 15 123.13 0.14 . 1 . . . . 777 THR N . 10017 2 535 . 1 1 221 221 THR H H 1 9.02 0.02 . 1 . . . . 778 THR H . 10017 2 536 . 1 1 221 221 THR CA C 13 61.04 0.11 . 1 . . . . 778 THR CA . 10017 2 537 . 1 1 221 221 THR N N 15 127.47 0.04 . 1 . . . . 778 THR N . 10017 2 538 . 1 1 222 222 ILE H H 1 8.68 0.02 . 1 . . . . 779 ILE H . 10017 2 539 . 1 1 222 222 ILE C C 13 173.43 0.02 . 1 . . . . 779 ILE C . 10017 2 540 . 1 1 222 222 ILE CA C 13 59.59 0.15 . 1 . . . . 779 ILE CA . 10017 2 541 . 1 1 222 222 ILE N N 15 125.52 0.02 . 1 . . . . 779 ILE N . 10017 2 542 . 1 1 223 223 VAL H H 1 9.39 0.02 . 1 . . . . 780 VAL H . 10017 2 543 . 1 1 223 223 VAL C C 13 173.92 0.02 . 1 . . . . 780 VAL C . 10017 2 544 . 1 1 223 223 VAL CA C 13 57.52 0.02 . 1 . . . . 780 VAL CA . 10017 2 545 . 1 1 223 223 VAL N N 15 127.64 0.23 . 1 . . . . 780 VAL N . 10017 2 546 . 1 1 224 224 VAL H H 1 9.28 0.03 . 1 . . . . 781 VAL H . 10017 2 547 . 1 1 224 224 VAL C C 13 175.74 0.02 . 1 . . . . 781 VAL C . 10017 2 548 . 1 1 224 224 VAL CA C 13 59.89 0.02 . 1 . . . . 781 VAL CA . 10017 2 549 . 1 1 224 224 VAL N N 15 129.45 0.02 . 1 . . . . 781 VAL N . 10017 2 550 . 1 1 225 225 ALA H H 1 8.06 0.02 . 1 . . . . 782 ALA H . 10017 2 551 . 1 1 225 225 ALA CA C 13 50.06 0.02 . 1 . . . . 782 ALA CA . 10017 2 552 . 1 1 225 225 ALA N N 15 131.09 0.15 . 1 . . . . 782 ALA N . 10017 2 553 . 1 1 227 227 ARG C C 13 176.22 0.02 . 1 . . . . 784 ARG C . 10017 2 554 . 1 1 227 227 ARG CA C 13 55.32 0.02 . 1 . . . . 784 ARG CA . 10017 2 555 . 1 1 228 228 LEU H H 1 8.43 0.02 . 1 . . . . 785 LEU H . 10017 2 556 . 1 1 228 228 LEU C C 13 177.21 0.02 . 1 . . . . 785 LEU C . 10017 2 557 . 1 1 228 228 LEU CA C 13 54.08 0.1 . 1 . . . . 785 LEU CA . 10017 2 558 . 1 1 228 228 LEU CB C 13 40.91 0.02 . 1 . . . . 785 LEU CB . 10017 2 559 . 1 1 228 228 LEU N N 15 126.03 0.08 . 1 . . . . 785 LEU N . 10017 2 560 . 1 1 229 229 SER H H 1 8.57 0.02 . 1 . . . . 786 SER H . 10017 2 561 . 1 1 229 229 SER CA C 13 57.4 0.02 . 1 . . . . 786 SER CA . 10017 2 562 . 1 1 229 229 SER CB C 13 62.94 0.02 . 1 . . . . 786 SER CB . 10017 2 563 . 1 1 229 229 SER N N 15 119.28 0.22 . 1 . . . . 786 SER N . 10017 2 564 . 1 1 230 230 THR C C 13 176.07 0.02 . 1 . . . . 787 THR C . 10017 2 565 . 1 1 231 231 VAL H H 1 7.84 0.02 . 1 . . . . 788 VAL H . 10017 2 566 . 1 1 231 231 VAL N N 15 114.88 0.1 . 1 . . . . 788 VAL N . 10017 2 567 . 1 1 232 232 VAL H H 1 6.56 0.02 . 1 . . . . 789 VAL H . 10017 2 568 . 1 1 232 232 VAL CA C 13 64.14 0.02 . 1 . . . . 789 VAL CA . 10017 2 569 . 1 1 232 232 VAL N N 15 116.18 0.02 . 1 . . . . 789 VAL N . 10017 2 570 . 1 1 233 233 ASN H H 1 8.57 0.02 . 1 . . . . 790 ASN H . 10017 2 571 . 1 1 233 233 ASN C C 13 175.1 0.02 . 1 . . . . 790 ASN C . 10017 2 572 . 1 1 233 233 ASN CA C 13 51.72 0.15 . 1 . . . . 790 ASN CA . 10017 2 573 . 1 1 233 233 ASN N N 15 118.9 0.02 . 1 . . . . 790 ASN N . 10017 2 574 . 1 1 234 234 ALA H H 1 7.98 0.02 . 1 . . . . 791 ALA H . 10017 2 575 . 1 1 234 234 ALA C C 13 176.92 0.02 . 1 . . . . 791 ALA C . 10017 2 576 . 1 1 234 234 ALA CA C 13 52.66 0.06 . 1 . . . . 791 ALA CA . 10017 2 577 . 1 1 234 234 ALA N N 15 126.7 0.19 . 1 . . . . 791 ALA N . 10017 2 578 . 1 1 235 235 ASP H H 1 8.32 0.02 . 1 . . . . 792 ASP H . 10017 2 579 . 1 1 235 235 ASP C C 13 175.36 0.12 . 1 . . . . 792 ASP C . 10017 2 580 . 1 1 235 235 ASP CA C 13 56.95 0.03 . 1 . . . . 792 ASP CA . 10017 2 581 . 1 1 235 235 ASP N N 15 122.58 0.13 . 1 . . . . 792 ASP N . 10017 2 582 . 1 1 236 236 GLN H H 1 7.53 0.02 . 1 . . . . 793 GLN H . 10017 2 583 . 1 1 236 236 GLN C C 13 171.2 0.04 . 1 . . . . 793 GLN C . 10017 2 584 . 1 1 236 236 GLN CA C 13 55.02 0.02 . 1 . . . . 793 GLN CA . 10017 2 585 . 1 1 236 236 GLN N N 15 115.69 0.16 . 1 . . . . 793 GLN N . 10017 2 586 . 1 1 237 237 ILE H H 1 8.67 0.02 . 1 . . . . 794 ILE H . 10017 2 587 . 1 1 237 237 ILE C C 13 173.9 0.07 . 1 . . . . 794 ILE C . 10017 2 588 . 1 1 237 237 ILE CA C 13 59.73 0.16 . 1 . . . . 794 ILE CA . 10017 2 589 . 1 1 237 237 ILE CB C 13 37.88 0.02 . 1 . . . . 794 ILE CB . 10017 2 590 . 1 1 237 237 ILE N N 15 128.79 0.11 . 1 . . . . 794 ILE N . 10017 2 591 . 1 1 238 238 LEU H H 1 9.11 0.02 . 1 . . . . 795 LEU H . 10017 2 592 . 1 1 238 238 LEU C C 13 174.24 0.02 . 1 . . . . 795 LEU C . 10017 2 593 . 1 1 238 238 LEU CA C 13 52.15 0.06 . 1 . . . . 795 LEU CA . 10017 2 594 . 1 1 238 238 LEU N N 15 126.64 0.14 . 1 . . . . 795 LEU N . 10017 2 595 . 1 1 239 239 VAL H H 1 8.52 0.02 . 1 . . . . 796 VAL H . 10017 2 596 . 1 1 239 239 VAL CA C 13 59.57 0.02 . 1 . . . . 796 VAL CA . 10017 2 597 . 1 1 239 239 VAL N N 15 124.61 0.09 . 1 . . . . 796 VAL N . 10017 2 598 . 1 1 240 240 ILE H H 1 9.41 0.02 . 1 . . . . 797 ILE H . 10017 2 599 . 1 1 240 240 ILE C C 13 173.21 0.02 . 1 . . . . 797 ILE C . 10017 2 600 . 1 1 240 240 ILE CA C 13 56.48 0.02 . 1 . . . . 797 ILE CA . 10017 2 601 . 1 1 240 240 ILE N N 15 131.4 0.07 . 1 . . . . 797 ILE N . 10017 2 602 . 1 1 241 241 LYS H H 1 8.77 0.02 . 1 . . . . 798 LYS H . 10017 2 603 . 1 1 241 241 LYS C C 13 176.62 0.05 . 1 . . . . 798 LYS C . 10017 2 604 . 1 1 241 241 LYS CA C 13 55.32 0.02 . 1 . . . . 798 LYS CA . 10017 2 605 . 1 1 241 241 LYS N N 15 124.53 0.08 . 1 . . . . 798 LYS N . 10017 2 606 . 1 1 242 242 ASP H H 1 9.88 0.02 . 1 . . . . 799 ASP H . 10017 2 607 . 1 1 242 242 ASP C C 13 175.34 0.02 . 1 . . . . 799 ASP C . 10017 2 608 . 1 1 242 242 ASP CA C 13 55.07 0.02 . 1 . . . . 799 ASP CA . 10017 2 609 . 1 1 242 242 ASP N N 15 129.6 0.09 . 1 . . . . 799 ASP N . 10017 2 610 . 1 1 243 243 GLY H H 1 8.3 0.02 . 1 . . . . 800 GLY H . 10017 2 611 . 1 1 243 243 GLY C C 13 171.97 0.02 . 1 . . . . 800 GLY C . 10017 2 612 . 1 1 243 243 GLY CA C 13 46.54 0.02 . 1 . . . . 800 GLY CA . 10017 2 613 . 1 1 243 243 GLY N N 15 105.45 0.09 . 1 . . . . 800 GLY N . 10017 2 614 . 1 1 244 244 CYS H H 1 7.61 0.02 . 1 . . . . 801 CYS H . 10017 2 615 . 1 1 244 244 CYS C C 13 173.7 0.02 . 1 . . . . 801 CYS C . 10017 2 616 . 1 1 244 244 CYS CA C 13 55.26 0.06 . 1 . . . . 801 CYS CA . 10017 2 617 . 1 1 244 244 CYS N N 15 116.39 0.07 . 1 . . . . 801 CYS N . 10017 2 618 . 1 1 245 245 ILE H H 1 9.17 0.02 . 1 . . . . 802 ILE H . 10017 2 619 . 1 1 245 245 ILE C C 13 176.99 0.02 . 1 . . . . 802 ILE C . 10017 2 620 . 1 1 245 245 ILE CA C 13 60.09 0.02 . 1 . . . . 802 ILE CA . 10017 2 621 . 1 1 245 245 ILE N N 15 124.05 0.08 . 1 . . . . 802 ILE N . 10017 2 622 . 1 1 246 246 VAL H H 1 9.13 0.02 . 1 . . . . 803 VAL H . 10017 2 623 . 1 1 246 246 VAL C C 13 175.86 0.02 . 1 . . . . 803 VAL C . 10017 2 624 . 1 1 246 246 VAL N N 15 126.15 0.14 . 1 . . . . 803 VAL N . 10017 2 625 . 1 1 247 247 GLU H H 1 7.62 0.02 . 1 . . . . 804 GLU H . 10017 2 626 . 1 1 247 247 GLU C C 13 173.07 0.02 . 1 . . . . 804 GLU C . 10017 2 627 . 1 1 247 247 GLU CA C 13 54.63 0.05 . 1 . . . . 804 GLU CA . 10017 2 628 . 1 1 247 247 GLU CB C 13 33.44 0.02 . 1 . . . . 804 GLU CB . 10017 2 629 . 1 1 247 247 GLU N N 15 120.78 0.11 . 1 . . . . 804 GLU N . 10017 2 630 . 1 1 248 248 ARG H H 1 8.48 0.02 . 1 . . . . 805 ARG H . 10017 2 631 . 1 1 248 248 ARG C C 13 174.2 0.02 . 1 . . . . 805 ARG C . 10017 2 632 . 1 1 248 248 ARG CA C 13 53.46 0.02 . 1 . . . . 805 ARG CA . 10017 2 633 . 1 1 248 248 ARG CB C 13 33.27 0.02 . 1 . . . . 805 ARG CB . 10017 2 634 . 1 1 248 248 ARG N N 15 118.57 0.14 . 1 . . . . 805 ARG N . 10017 2 635 . 1 1 249 249 GLY H H 1 8.74 0.02 . 1 . . . . 806 GLY H . 10017 2 636 . 1 1 249 249 GLY C C 13 171.21 0.04 . 1 . . . . 806 GLY C . 10017 2 637 . 1 1 249 249 GLY CA C 13 44.23 0.15 . 1 . . . . 806 GLY CA . 10017 2 638 . 1 1 249 249 GLY N N 15 111.29 0.26 . 1 . . . . 806 GLY N . 10017 2 639 . 1 1 250 250 ARG H H 1 8.08 0.02 . 1 . . . . 807 ARG H . 10017 2 640 . 1 1 250 250 ARG C C 13 175.82 0.03 . 1 . . . . 807 ARG C . 10017 2 641 . 1 1 250 250 ARG CA C 13 55.09 0.09 . 1 . . . . 807 ARG CA . 10017 2 642 . 1 1 250 250 ARG N N 15 120.45 0.07 . 1 . . . . 807 ARG N . 10017 2 643 . 1 1 251 251 HIS H H 1 8.84 0.02 . 1 . . . . 808 HIS H . 10017 2 644 . 1 1 251 251 HIS C C 13 175.29 0.02 . 1 . . . . 808 HIS C . 10017 2 645 . 1 1 251 251 HIS CA C 13 59.93 0.02 . 1 . . . . 808 HIS CA . 10017 2 646 . 1 1 251 251 HIS N N 15 123.18 0.02 . 1 . . . . 808 HIS N . 10017 2 647 . 1 1 252 252 GLU H H 1 9.07 0.02 . 1 . . . . 809 GLU H . 10017 2 648 . 1 1 252 252 GLU C C 13 178.9 0.02 . 1 . . . . 809 GLU C . 10017 2 649 . 1 1 252 252 GLU CA C 13 59.4 0.02 . 1 . . . . 809 GLU CA . 10017 2 650 . 1 1 252 252 GLU CB C 13 26.74 0.02 . 1 . . . . 809 GLU CB . 10017 2 651 . 1 1 252 252 GLU N N 15 116.97 0.09 . 1 . . . . 809 GLU N . 10017 2 652 . 1 1 253 253 ALA H H 1 7.02 0.03 . 1 . . . . 810 ALA H . 10017 2 653 . 1 1 253 253 ALA C C 13 180.46 0.04 . 1 . . . . 810 ALA C . 10017 2 654 . 1 1 253 253 ALA CA C 13 53.25 0.02 . 1 . . . . 810 ALA CA . 10017 2 655 . 1 1 253 253 ALA CB C 13 17.3 0.02 . 1 . . . . 810 ALA CB . 10017 2 656 . 1 1 253 253 ALA N N 15 124.25 0.27 . 1 . . . . 810 ALA N . 10017 2 657 . 1 1 254 254 LEU H H 1 8.25 0.02 . 1 . . . . 811 LEU H . 10017 2 658 . 1 1 254 254 LEU C C 13 180.49 0.02 . 1 . . . . 811 LEU C . 10017 2 659 . 1 1 254 254 LEU CA C 13 56.37 0.02 . 1 . . . . 811 LEU CA . 10017 2 660 . 1 1 254 254 LEU CB C 13 41.36 0.02 . 1 . . . . 811 LEU CB . 10017 2 661 . 1 1 254 254 LEU N N 15 122.19 0.14 . 1 . . . . 811 LEU N . 10017 2 662 . 1 1 255 255 LEU H H 1 8.31 0.02 . 1 . . . . 812 LEU H . 10017 2 663 . 1 1 255 255 LEU C C 13 179.93 0.02 . 1 . . . . 812 LEU C . 10017 2 664 . 1 1 255 255 LEU CA C 13 56.97 0.02 . 1 . . . . 812 LEU CA . 10017 2 665 . 1 1 255 255 LEU CB C 13 39.84 0.02 . 1 . . . . 812 LEU CB . 10017 2 666 . 1 1 255 255 LEU N N 15 122.38 0.15 . 1 . . . . 812 LEU N . 10017 2 667 . 1 1 256 256 SER H H 1 7.64 0.02 . 1 . . . . 813 SER H . 10017 2 668 . 1 1 256 256 SER C C 13 175.08 0.02 . 1 . . . . 813 SER C . 10017 2 669 . 1 1 256 256 SER CA C 13 60.06 0.13 . 1 . . . . 813 SER CA . 10017 2 670 . 1 1 256 256 SER CB C 13 62.35 0.02 . 1 . . . . 813 SER CB . 10017 2 671 . 1 1 256 256 SER N N 15 116.6 0.11 . 1 . . . . 813 SER N . 10017 2 672 . 1 1 257 257 ARG H H 1 7.49 0.02 . 1 . . . . 814 ARG H . 10017 2 673 . 1 1 257 257 ARG C C 13 178.26 0.03 . 1 . . . . 814 ARG C . 10017 2 674 . 1 1 257 257 ARG CA C 13 56.51 0.02 . 1 . . . . 814 ARG CA . 10017 2 675 . 1 1 257 257 ARG CB C 13 29.45 0.02 . 1 . . . . 814 ARG CB . 10017 2 676 . 1 1 257 257 ARG N N 15 121.37 0.17 . 1 . . . . 814 ARG N . 10017 2 677 . 1 1 258 258 GLY H H 1 7.37 0.02 . 1 . . . . 815 GLY H . 10017 2 678 . 1 1 258 258 GLY C C 13 173.67 0.1 . 1 . . . . 815 GLY C . 10017 2 679 . 1 1 258 258 GLY CA C 13 46.14 0.02 . 1 . . . . 815 GLY CA . 10017 2 680 . 1 1 258 258 GLY N N 15 106.08 0.18 . 1 . . . . 815 GLY N . 10017 2 681 . 1 1 259 259 GLY H H 1 8.47 0.02 . 1 . . . . 816 GLY H . 10017 2 682 . 1 1 259 259 GLY C C 13 173.45 0.11 . 1 . . . . 816 GLY C . 10017 2 683 . 1 1 259 259 GLY CA C 13 43.39 0.28 . 1 . . . . 816 GLY CA . 10017 2 684 . 1 1 259 259 GLY N N 15 113.41 0.03 . 1 . . . . 816 GLY N . 10017 2 685 . 1 1 260 260 VAL H H 1 9.8 0.02 . 1 . . . . 817 VAL H . 10017 2 686 . 1 1 260 260 VAL C C 13 179.06 0.02 . 1 . . . . 817 VAL C . 10017 2 687 . 1 1 260 260 VAL CA C 13 65.17 0.02 . 1 . . . . 817 VAL CA . 10017 2 688 . 1 1 260 260 VAL N N 15 129.46 0.04 . 1 . . . . 817 VAL N . 10017 2 689 . 1 1 261 261 TYR H H 1 9.38 0.02 . 1 . . . . 818 TYR H . 10017 2 690 . 1 1 261 261 TYR CA C 13 61.34 0.02 . 1 . . . . 818 TYR CA . 10017 2 691 . 1 1 261 261 TYR N N 15 124.47 0.02 . 1 . . . . 818 TYR N . 10017 2 692 . 1 1 262 262 ALA C C 13 179.69 0.02 . 1 . . . . 819 ALA C . 10017 2 693 . 1 1 262 262 ALA CA C 13 54.43 0.02 . 1 . . . . 819 ALA CA . 10017 2 694 . 1 1 263 263 ASP H H 1 8.31 0.02 . 1 . . . . 820 ASP H . 10017 2 695 . 1 1 263 263 ASP C C 13 177.89 0.02 . 1 . . . . 820 ASP C . 10017 2 696 . 1 1 263 263 ASP CA C 13 56.53 0.02 . 1 . . . . 820 ASP CA . 10017 2 697 . 1 1 263 263 ASP N N 15 121.5 0.19 . 1 . . . . 820 ASP N . 10017 2 698 . 1 1 264 264 MET H H 1 8.18 0.02 . 1 . . . . 821 MET H . 10017 2 699 . 1 1 264 264 MET C C 13 177.86 0.02 . 1 . . . . 821 MET C . 10017 2 700 . 1 1 264 264 MET CA C 13 58.71 0.02 . 1 . . . . 821 MET CA . 10017 2 701 . 1 1 264 264 MET N N 15 123.12 0.05 . 1 . . . . 821 MET N . 10017 2 702 . 1 1 265 265 TRP H H 1 9.03 0.02 . 1 . . . . 822 TRP H . 10017 2 703 . 1 1 265 265 TRP C C 13 178.01 0.02 . 1 . . . . 822 TRP C . 10017 2 704 . 1 1 265 265 TRP N N 15 122.47 0.04 . 1 . . . . 822 TRP N . 10017 2 705 . 1 1 266 266 GLN H H 1 8.32 0.02 . 1 . . . . 823 GLN H . 10017 2 706 . 1 1 266 266 GLN C C 13 178.86 0.02 . 1 . . . . 823 GLN C . 10017 2 707 . 1 1 266 266 GLN CA C 13 57.77 0.02 . 1 . . . . 823 GLN CA . 10017 2 708 . 1 1 266 266 GLN N N 15 119.75 0.07 . 1 . . . . 823 GLN N . 10017 2 709 . 1 1 267 267 LEU H H 1 7.72 0.02 . 1 . . . . 824 LEU H . 10017 2 710 . 1 1 267 267 LEU C C 13 179.01 0.02 . 1 . . . . 824 LEU C . 10017 2 711 . 1 1 267 267 LEU CA C 13 56.62 0.02 . 1 . . . . 824 LEU CA . 10017 2 712 . 1 1 267 267 LEU N N 15 121.7 0.09 . 1 . . . . 824 LEU N . 10017 2 713 . 1 1 268 268 GLN H H 1 7.67 0.02 . 1 . . . . 825 GLN H . 10017 2 714 . 1 1 268 268 GLN C C 13 177.38 0.02 . 1 . . . . 825 GLN C . 10017 2 715 . 1 1 268 268 GLN CA C 13 56.84 0.1 . 1 . . . . 825 GLN CA . 10017 2 716 . 1 1 268 268 GLN N N 15 118.5 0.11 . 1 . . . . 825 GLN N . 10017 2 717 . 1 1 269 269 GLN H H 1 7.9 0.02 . 1 . . . . 826 GLN H . 10017 2 718 . 1 1 269 269 GLN C C 13 177.1 0.03 . 1 . . . . 826 GLN C . 10017 2 719 . 1 1 269 269 GLN CA C 13 55.62 0.02 . 1 . . . . 826 GLN CA . 10017 2 720 . 1 1 269 269 GLN N N 15 120.36 0.11 . 1 . . . . 826 GLN N . 10017 2 721 . 1 1 270 270 GLY H H 1 7.91 0.02 . 1 . . . . 827 GLY H . 10017 2 722 . 1 1 270 270 GLY C C 13 174.1 0.03 . 1 . . . . 827 GLY C . 10017 2 723 . 1 1 270 270 GLY CA C 13 44.76 0.02 . 1 . . . . 827 GLY CA . 10017 2 724 . 1 1 270 270 GLY N N 15 109.48 0.12 . 1 . . . . 827 GLY N . 10017 2 725 . 1 1 271 271 GLN H H 1 7.88 0.02 . 1 . . . . 828 GLN H . 10017 2 726 . 1 1 271 271 GLN C C 13 175.89 0.02 . 1 . . . . 828 GLN C . 10017 2 727 . 1 1 271 271 GLN CA C 13 54.84 0.06 . 1 . . . . 828 GLN CA . 10017 2 728 . 1 1 271 271 GLN N N 15 121.25 0.09 . 1 . . . . 828 GLN N . 10017 2 729 . 1 1 272 272 GLU H H 1 8.34 0.03 . 1 . . . . 829 GLU H . 10017 2 730 . 1 1 272 272 GLU C C 13 176.32 0.02 . 1 . . . . 829 GLU C . 10017 2 731 . 1 1 272 272 GLU CA C 13 55.84 0.02 . 1 . . . . 829 GLU CA . 10017 2 732 . 1 1 272 272 GLU CB C 13 28.76 0.02 . 1 . . . . 829 GLU CB . 10017 2 733 . 1 1 272 272 GLU N N 15 123.76 0.11 . 1 . . . . 829 GLU N . 10017 2 734 . 1 1 273 273 GLU H H 1 8.54 0.02 . 1 . . . . 830 GLU H . 10017 2 735 . 1 1 273 273 GLU C C 13 176.38 0.03 . 1 . . . . 830 GLU C . 10017 2 736 . 1 1 273 273 GLU CA C 13 55.73 0.02 . 1 . . . . 830 GLU CA . 10017 2 737 . 1 1 273 273 GLU N N 15 124.34 0.12 . 1 . . . . 830 GLU N . 10017 2 738 . 1 1 274 274 THR H H 1 8.39 0.02 . 1 . . . . 831 THR H . 10017 2 739 . 1 1 274 274 THR C C 13 174.22 0.02 . 1 . . . . 831 THR C . 10017 2 740 . 1 1 274 274 THR CA C 13 60.8 0.09 . 1 . . . . 831 THR CA . 10017 2 741 . 1 1 274 274 THR CB C 13 69 0.08 . 1 . . . . 831 THR CB . 10017 2 742 . 1 1 274 274 THR N N 15 117.8 0.14 . 1 . . . . 831 THR N . 10017 2 743 . 1 1 275 275 SER H H 1 8.53 0.02 . 1 . . . . 832 SER H . 10017 2 744 . 1 1 275 275 SER C C 13 174.37 0.03 . 1 . . . . 832 SER C . 10017 2 745 . 1 1 275 275 SER CA C 13 57.54 0.02 . 1 . . . . 832 SER CA . 10017 2 746 . 1 1 275 275 SER CB C 13 63.13 0.02 . 1 . . . . 832 SER CB . 10017 2 747 . 1 1 275 275 SER N N 15 120.73 0.09 . 1 . . . . 832 SER N . 10017 2 748 . 1 1 276 276 GLU H H 1 8.66 0.02 . 1 . . . . 833 GLU H . 10017 2 749 . 1 1 276 276 GLU C C 13 175.98 0.02 . 1 . . . . 833 GLU C . 10017 2 750 . 1 1 276 276 GLU CA C 13 55.85 0.05 . 1 . . . . 833 GLU CA . 10017 2 751 . 1 1 276 276 GLU CB C 13 28.96 0.02 . 1 . . . . 833 GLU CB . 10017 2 752 . 1 1 276 276 GLU N N 15 125.21 0.1 . 1 . . . . 833 GLU N . 10017 2 753 . 1 1 277 277 ASP H H 1 8.48 0.02 . 1 . . . . 834 ASP H . 10017 2 754 . 1 1 277 277 ASP C C 13 176.07 0.04 . 1 . . . . 834 ASP C . 10017 2 755 . 1 1 277 277 ASP CA C 13 53.66 0.02 . 1 . . . . 834 ASP CA . 10017 2 756 . 1 1 277 277 ASP CB C 13 39.95 0.03 . 1 . . . . 834 ASP CB . 10017 2 757 . 1 1 277 277 ASP N N 15 123.29 0.1 . 1 . . . . 834 ASP N . 10017 2 758 . 1 1 278 278 THR H H 1 8.15 0.02 . 1 . . . . 835 THR H . 10017 2 759 . 1 1 278 278 THR C C 13 174.12 0.02 . 1 . . . . 835 THR C . 10017 2 760 . 1 1 278 278 THR CA C 13 61.01 0.02 . 1 . . . . 835 THR CA . 10017 2 761 . 1 1 278 278 THR CB C 13 68.67 0.02 . 1 . . . . 835 THR CB . 10017 2 762 . 1 1 278 278 THR N N 15 116.9 0.08 . 1 . . . . 835 THR N . 10017 2 763 . 1 1 279 279 LYS H H 1 8.39 0.02 . 1 . . . . 836 LYS H . 10017 2 764 . 1 1 279 279 LYS C C 13 174.12 0.02 . 1 . . . . 836 LYS C . 10017 2 765 . 1 1 279 279 LYS CA C 13 53.6 0.02 . 1 . . . . 836 LYS CA . 10017 2 766 . 1 1 279 279 LYS CB C 13 30.87 0.02 . 1 . . . . 836 LYS CB . 10017 2 767 . 1 1 279 279 LYS N N 15 127.77 0.1 . 1 . . . . 836 LYS N . 10017 2 768 . 1 1 280 280 PRO C C 13 176.65 0.02 . 1 . . . . 837 PRO C . 10017 2 769 . 1 1 280 280 PRO CA C 13 62.19 0.02 . 1 . . . . 837 PRO CA . 10017 2 770 . 1 1 280 280 PRO CB C 13 30.89 0.02 . 1 . . . . 837 PRO CB . 10017 2 771 . 1 1 281 281 GLN H H 1 8.73 0.02 . 1 . . . . 838 GLN H . 10017 2 772 . 1 1 281 281 GLN C C 13 175.94 0.02 . 1 . . . . 838 GLN C . 10017 2 773 . 1 1 281 281 GLN CA C 13 54.87 0.02 . 1 . . . . 838 GLN CA . 10017 2 774 . 1 1 281 281 GLN CB C 13 28.26 0.17 . 1 . . . . 838 GLN CB . 10017 2 775 . 1 1 281 281 GLN N N 15 123.5 0.08 . 1 . . . . 838 GLN N . 10017 2 776 . 1 1 282 282 THR H H 1 8.38 0.02 . 1 . . . . 839 THR H . 10017 2 777 . 1 1 282 282 THR C C 13 173.94 0.03 . 1 . . . . 839 THR C . 10017 2 778 . 1 1 282 282 THR CA C 13 60.99 0.04 . 1 . . . . 839 THR CA . 10017 2 779 . 1 1 282 282 THR CB C 13 68.83 0.08 . 1 . . . . 839 THR CB . 10017 2 780 . 1 1 282 282 THR N N 15 118.5 0.09 . 1 . . . . 839 THR N . 10017 2 781 . 1 1 283 283 MET H H 1 8.56 0.02 . 1 . . . . 840 MET H . 10017 2 782 . 1 1 283 283 MET C C 13 175.66 0.02 . 1 . . . . 840 MET C . 10017 2 783 . 1 1 283 283 MET CA C 13 54.37 0.02 . 1 . . . . 840 MET CA . 10017 2 784 . 1 1 283 283 MET N N 15 125.26 0.08 . 1 . . . . 840 MET N . 10017 2 785 . 1 1 284 284 GLU H H 1 8.56 0.02 . 1 . . . . 841 GLU H . 10017 2 786 . 1 1 284 284 GLU C C 13 175.13 0.02 . 1 . . . . 841 GLU C . 10017 2 787 . 1 1 284 284 GLU CA C 13 55.75 0.02 . 1 . . . . 841 GLU CA . 10017 2 788 . 1 1 284 284 GLU N N 15 125.31 0.1 . 1 . . . . 841 GLU N . 10017 2 789 . 1 1 285 285 ARG H H 1 8.14 0.02 . 1 . . . . 842 ARG H . 10017 2 790 . 1 1 285 285 ARG C C 13 180.69 0.02 . 1 . . . . 842 ARG C . 10017 2 791 . 1 1 285 285 ARG CA C 13 56.48 0.02 . 1 . . . . 842 ARG CA . 10017 2 792 . 1 1 285 285 ARG CB C 13 29.91 0.02 . 1 . . . . 842 ARG CB . 10017 2 793 . 1 1 285 285 ARG N N 15 129.6 0.08 . 1 . . . . 842 ARG N . 10017 2 stop_ save_