data_25355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25355 _Entry.Title ; EphB2 kinase domain and juxtamembrane segment, S677A/S680A/D754A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-20 _Entry.Accession_date 2014-11-20 _Entry.Last_release_date 2015-08-19 _Entry.Original_release_date 2015-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Patrik Lundstrom . . . 25355 2 Alexandra Ahlner . . . 25355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 799 25355 '15N chemical shifts' 240 25355 '1H chemical shifts' 240 25355 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 . . 2015-08-19 2014-11-20 update BMRB 'update entry citation' 25355 1 . . 2014-12-19 2014-11-20 original author 'original release' 25355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25569628 _Citation.Full_citation . _Citation.Title ; Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS Comput. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 e1004022 _Citation.Page_last e1004022 _Citation.Year 2015 _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 Markus Niklasson . . . 25355 1 2 Alexandra Ahlner . . . 25355 1 3 Cecilia Andresen . . . 25355 1 4 Joseph Marsh . A. . 25355 1 5 Patrik Lundstrom . . . 25355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25355 _Assembly.ID 1 _Assembly.Name 'EphB2 kinase domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'EphB2 kinase domain' 1 $EphB2_kinase_domain A . yes native no no . . . 25355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EphB2_kinase_domain _Entity.Sf_category entity _Entity.Sf_framecode EphB2_kinase_domain _Entity.Entry_ID 25355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EphB2_kinase_domain _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 ; MTPGMKIYIDPFTYEDPNEA VREFAKEIDISCVKIEQVIG AGEFGEVCSGHLKLPGKREI FVAIKTLKSGYTEKQRRDFL AEAAIMGQFDHPNVIHLEGV VTKSTPVMIITEFMENGSLD SFLRQNDGQFTVIQLVGMLR GIAAGMKYLADMNYVHRDLA ARNILVNSNLVCKVSDFGLS RFLEDDTSDPTYTSALGGKI PIRWTAPEAIQYRKFTSASD VWSYGIVMWEVMSYGERPYW DMTNQDVINAIEQDYRLPPP MDCPSALHQLMLDCWQKDRN HRPKFGQIVNTLDKMIRNPN SLKAMAPLSS ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 310 _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 2015-11-25 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 PDB 1JPA . "Crystal Structure Of Unphosphorylated Ephb2 Receptor Tyrosine Kinase And Juxtamembrane Region" . . . . . 100.00 312 98.71 100.00 0.00e+00 . . . . 25355 1 2 no PDB 2HEN . "Crystal Structure Of The Ephb2 Receptor Kinase Domain In Complex With Adp" . . . . . 92.26 286 98.60 99.65 0.00e+00 . . . . 25355 1 3 no PDB 3ZFM . "Crystal Structure Of Ephb2" . . . . . 95.16 298 99.32 100.00 0.00e+00 . . . . 25355 1 4 no DBJ BAA03537 . "large erk kinase [Homo sapiens]" . . . . . 83.55 347 98.46 99.61 0.00e+00 . . . . 25355 1 5 no DBJ BAA06506 . "tyrosine kinase precursor [Homo sapiens]" . . . . . 100.00 981 99.03 100.00 0.00e+00 . . . . 25355 1 6 no DBJ BAA07073 . "large erk/cek5 tyrosine kinase [Homo sapiens]" . . . . . 100.00 478 99.03 100.00 0.00e+00 . . . . 25355 1 7 no DBJ BAE06100 . "EPHB2 variant protein [Homo sapiens]" . . . . . 100.00 986 99.35 100.00 0.00e+00 . . . . 25355 1 8 no DBJ BAG10257 . "ephrin type-B receptor 2 precursor [synthetic construct]" . . . . . 100.00 986 99.35 100.00 0.00e+00 . . . . 25355 1 9 no EMBL CAA53598 . "Sek-3 [Mus musculus]" . . . . . 100.00 480 99.35 100.00 0.00e+00 . . . . 25355 1 10 no EMBL CAA62862 . "QEK5 protein [Coturnix coturnix]" . . . . . 100.00 987 98.39 99.68 0.00e+00 . . . . 25355 1 11 no GB AAA48667 . "chicken embryo kinase 5 protein [Gallus gallus]" . . . . . 100.00 995 98.71 100.00 0.00e+00 . . . . 25355 1 12 no GB AAA72411 . "Nuk receptor tyrosine kinase [Mus musculus]" . . . . . 100.00 963 99.35 100.00 0.00e+00 . . . . 25355 1 13 no GB AAA74244 . "receptor protein-tyrosine kinase, partial [Homo sapiens]" . . . . . 100.00 970 98.71 99.68 0.00e+00 . . . . 25355 1 14 no GB AAA99310 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 100.00 987 99.35 100.00 0.00e+00 . . . . 25355 1 15 no GB AAB30284 . "neural kinase, Nuk=Eph/Elk/Eck family receptor-like tyrosine kinase [mice, embryo, Peptide, 994 aa]" . . . . . 100.00 994 99.35 100.00 0.00e+00 . . . . 25355 1 16 no PIR I48760 . "protein-tyrosine kinase (EC 2.7.1.112) sek-3 - mouse (fragment)" . . . . . 100.00 480 99.35 100.00 0.00e+00 . . . . 25355 1 17 no PRF 2109312A . "receptor Tyr kinase" . . . . . 100.00 478 99.03 100.00 0.00e+00 . . . . 25355 1 18 no PRF 2124353A . "T-lymphoma invasion/metastasis gene" . . . . . 100.00 987 99.35 100.00 0.00e+00 . . . . 25355 1 19 no REF NP_001120791 . "ephrin type-B receptor 2 precursor [Rattus norvegicus]" . . . . . 100.00 986 99.35 100.00 0.00e+00 . . . . 25355 1 20 no REF NP_001178427 . "ephrin type-B receptor 2 [Bos taurus]" . . . . . 100.00 965 99.35 100.00 0.00e+00 . . . . 25355 1 21 no REF NP_001277682 . "ephrin type-B receptor 2 isoform 1 precursor [Mus musculus]" . . . . . 100.00 987 99.35 100.00 0.00e+00 . . . . 25355 1 22 no REF NP_001296121 . "ephrin type-B receptor 2 isoform 3 precursor [Homo sapiens]" . . . . . 100.00 928 99.03 100.00 0.00e+00 . . . . 25355 1 23 no REF NP_001296122 . "ephrin type-B receptor 2 isoform 4 precursor [Homo sapiens]" . . . . . 100.00 1055 99.35 100.00 0.00e+00 . . . . 25355 1 24 no SP P28693 . "RecName: Full=Ephrin type-B receptor 2; AltName: Full=EPH-like kinase 5; Short=EK5; Short=cEK5; Flags: Precursor" . . . . . 100.00 1004 98.71 100.00 0.00e+00 . . . . 25355 1 25 no SP P29323 . "RecName: Full=Ephrin type-B receptor 2; AltName: Full=Developmentally-regulated Eph-related tyrosine kinase; AltName: Full=ELK-" . . . . . 100.00 1055 99.35 100.00 0.00e+00 . . . . 25355 1 26 no SP P54763 . "RecName: Full=Ephrin type-B receptor 2; AltName: Full=Neural kinase; AltName: Full=Nuk receptor tyrosine kinase; AltName: Full=" . . . . . 100.00 986 99.35 100.00 0.00e+00 . . . . 25355 1 27 no SP Q90344 . "RecName: Full=Ephrin type-B receptor 2; AltName: Full=EPH-like kinase 5; Short=EK5; Short=qEK5; Flags: Precursor" . . . . . 100.00 987 98.39 99.68 0.00e+00 . . . . 25355 1 28 no TPG DAA32240 . "TPA: EPH receptor B2 [Bos taurus]" . . . . . 100.00 864 99.35 100.00 0.00e+00 . . . . 25355 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 1 597 MET . 25355 1 2 598 THR . 25355 1 3 599 PRO . 25355 1 4 600 GLY . 25355 1 5 601 MET . 25355 1 6 602 LYS . 25355 1 7 603 ILE . 25355 1 8 604 TYR . 25355 1 9 605 ILE . 25355 1 10 606 ASP . 25355 1 11 607 PRO . 25355 1 12 608 PHE . 25355 1 13 609 THR . 25355 1 14 610 TYR . 25355 1 15 611 GLU . 25355 1 16 612 ASP . 25355 1 17 613 PRO . 25355 1 18 614 ASN . 25355 1 19 615 GLU . 25355 1 20 616 ALA . 25355 1 21 617 VAL . 25355 1 22 618 ARG . 25355 1 23 619 GLU . 25355 1 24 620 PHE . 25355 1 25 621 ALA . 25355 1 26 622 LYS . 25355 1 27 623 GLU . 25355 1 28 624 ILE . 25355 1 29 625 ASP . 25355 1 30 626 ILE . 25355 1 31 627 SER . 25355 1 32 628 CYS . 25355 1 33 629 VAL . 25355 1 34 630 LYS . 25355 1 35 631 ILE . 25355 1 36 632 GLU . 25355 1 37 633 GLN . 25355 1 38 634 VAL . 25355 1 39 635 ILE . 25355 1 40 636 GLY . 25355 1 41 637 ALA . 25355 1 42 638 GLY . 25355 1 43 639 GLU . 25355 1 44 640 PHE . 25355 1 45 641 GLY . 25355 1 46 642 GLU . 25355 1 47 643 VAL . 25355 1 48 644 CYS . 25355 1 49 645 SER . 25355 1 50 646 GLY . 25355 1 51 647 HIS . 25355 1 52 648 LEU . 25355 1 53 649 LYS . 25355 1 54 650 LEU . 25355 1 55 651 PRO . 25355 1 56 652 GLY . 25355 1 57 653 LYS . 25355 1 58 654 ARG . 25355 1 59 655 GLU . 25355 1 60 656 ILE . 25355 1 61 657 PHE . 25355 1 62 658 VAL . 25355 1 63 659 ALA . 25355 1 64 660 ILE . 25355 1 65 661 LYS . 25355 1 66 662 THR . 25355 1 67 663 LEU . 25355 1 68 664 LYS . 25355 1 69 665 SER . 25355 1 70 666 GLY . 25355 1 71 667 TYR . 25355 1 72 668 THR . 25355 1 73 669 GLU . 25355 1 74 670 LYS . 25355 1 75 671 GLN . 25355 1 76 672 ARG . 25355 1 77 673 ARG . 25355 1 78 674 ASP . 25355 1 79 675 PHE . 25355 1 80 676 LEU . 25355 1 81 677 ALA . 25355 1 82 678 GLU . 25355 1 83 679 ALA . 25355 1 84 680 ALA . 25355 1 85 681 ILE . 25355 1 86 682 MET . 25355 1 87 683 GLY . 25355 1 88 684 GLN . 25355 1 89 685 PHE . 25355 1 90 686 ASP . 25355 1 91 687 HIS . 25355 1 92 688 PRO . 25355 1 93 689 ASN . 25355 1 94 690 VAL . 25355 1 95 691 ILE . 25355 1 96 692 HIS . 25355 1 97 693 LEU . 25355 1 98 694 GLU . 25355 1 99 695 GLY . 25355 1 100 696 VAL . 25355 1 101 697 VAL . 25355 1 102 698 THR . 25355 1 103 699 LYS . 25355 1 104 700 SER . 25355 1 105 701 THR . 25355 1 106 702 PRO . 25355 1 107 703 VAL . 25355 1 108 704 MET . 25355 1 109 705 ILE . 25355 1 110 706 ILE . 25355 1 111 707 THR . 25355 1 112 708 GLU . 25355 1 113 709 PHE . 25355 1 114 710 MET . 25355 1 115 711 GLU . 25355 1 116 712 ASN . 25355 1 117 713 GLY . 25355 1 118 714 SER . 25355 1 119 715 LEU . 25355 1 120 716 ASP . 25355 1 121 717 SER . 25355 1 122 718 PHE . 25355 1 123 719 LEU . 25355 1 124 720 ARG . 25355 1 125 721 GLN . 25355 1 126 722 ASN . 25355 1 127 723 ASP . 25355 1 128 724 GLY . 25355 1 129 725 GLN . 25355 1 130 726 PHE . 25355 1 131 727 THR . 25355 1 132 728 VAL . 25355 1 133 729 ILE . 25355 1 134 730 GLN . 25355 1 135 731 LEU . 25355 1 136 732 VAL . 25355 1 137 733 GLY . 25355 1 138 734 MET . 25355 1 139 735 LEU . 25355 1 140 736 ARG . 25355 1 141 737 GLY . 25355 1 142 738 ILE . 25355 1 143 739 ALA . 25355 1 144 740 ALA . 25355 1 145 741 GLY . 25355 1 146 742 MET . 25355 1 147 743 LYS . 25355 1 148 744 TYR . 25355 1 149 745 LEU . 25355 1 150 746 ALA . 25355 1 151 747 ASP . 25355 1 152 748 MET . 25355 1 153 749 ASN . 25355 1 154 750 TYR . 25355 1 155 751 VAL . 25355 1 156 752 HIS . 25355 1 157 753 ARG . 25355 1 158 754 ASP . 25355 1 159 755 LEU . 25355 1 160 756 ALA . 25355 1 161 757 ALA . 25355 1 162 758 ARG . 25355 1 163 759 ASN . 25355 1 164 760 ILE . 25355 1 165 761 LEU . 25355 1 166 762 VAL . 25355 1 167 763 ASN . 25355 1 168 764 SER . 25355 1 169 765 ASN . 25355 1 170 766 LEU . 25355 1 171 767 VAL . 25355 1 172 768 CYS . 25355 1 173 769 LYS . 25355 1 174 770 VAL . 25355 1 175 771 SER . 25355 1 176 772 ASP . 25355 1 177 773 PHE . 25355 1 178 774 GLY . 25355 1 179 775 LEU . 25355 1 180 776 SER . 25355 1 181 777 ARG . 25355 1 182 778 PHE . 25355 1 183 779 LEU . 25355 1 184 780 GLU . 25355 1 185 781 ASP . 25355 1 186 782 ASP . 25355 1 187 783 THR . 25355 1 188 784 SER . 25355 1 189 785 ASP . 25355 1 190 786 PRO . 25355 1 191 787 THR . 25355 1 192 788 TYR . 25355 1 193 789 THR . 25355 1 194 790 SER . 25355 1 195 791 ALA . 25355 1 196 792 LEU . 25355 1 197 793 GLY . 25355 1 198 794 GLY . 25355 1 199 795 LYS . 25355 1 200 796 ILE . 25355 1 201 797 PRO . 25355 1 202 798 ILE . 25355 1 203 799 ARG . 25355 1 204 800 TRP . 25355 1 205 801 THR . 25355 1 206 802 ALA . 25355 1 207 803 PRO . 25355 1 208 804 GLU . 25355 1 209 805 ALA . 25355 1 210 806 ILE . 25355 1 211 807 GLN . 25355 1 212 808 TYR . 25355 1 213 809 ARG . 25355 1 214 810 LYS . 25355 1 215 811 PHE . 25355 1 216 812 THR . 25355 1 217 813 SER . 25355 1 218 814 ALA . 25355 1 219 815 SER . 25355 1 220 816 ASP . 25355 1 221 817 VAL . 25355 1 222 818 TRP . 25355 1 223 819 SER . 25355 1 224 820 TYR . 25355 1 225 821 GLY . 25355 1 226 822 ILE . 25355 1 227 823 VAL . 25355 1 228 824 MET . 25355 1 229 825 TRP . 25355 1 230 826 GLU . 25355 1 231 827 VAL . 25355 1 232 828 MET . 25355 1 233 829 SER . 25355 1 234 830 TYR . 25355 1 235 831 GLY . 25355 1 236 832 GLU . 25355 1 237 833 ARG . 25355 1 238 834 PRO . 25355 1 239 835 TYR . 25355 1 240 836 TRP . 25355 1 241 837 ASP . 25355 1 242 838 MET . 25355 1 243 839 THR . 25355 1 244 840 ASN . 25355 1 245 841 GLN . 25355 1 246 842 ASP . 25355 1 247 843 VAL . 25355 1 248 844 ILE . 25355 1 249 845 ASN . 25355 1 250 846 ALA . 25355 1 251 847 ILE . 25355 1 252 848 GLU . 25355 1 253 849 GLN . 25355 1 254 850 ASP . 25355 1 255 851 TYR . 25355 1 256 852 ARG . 25355 1 257 853 LEU . 25355 1 258 854 PRO . 25355 1 259 855 PRO . 25355 1 260 856 PRO . 25355 1 261 857 MET . 25355 1 262 858 ASP . 25355 1 263 859 CYS . 25355 1 264 860 PRO . 25355 1 265 861 SER . 25355 1 266 862 ALA . 25355 1 267 863 LEU . 25355 1 268 864 HIS . 25355 1 269 865 GLN . 25355 1 270 866 LEU . 25355 1 271 867 MET . 25355 1 272 868 LEU . 25355 1 273 869 ASP . 25355 1 274 870 CYS . 25355 1 275 871 TRP . 25355 1 276 872 GLN . 25355 1 277 873 LYS . 25355 1 278 874 ASP . 25355 1 279 875 ARG . 25355 1 280 876 ASN . 25355 1 281 877 HIS . 25355 1 282 878 ARG . 25355 1 283 879 PRO . 25355 1 284 880 LYS . 25355 1 285 881 PHE . 25355 1 286 882 GLY . 25355 1 287 883 GLN . 25355 1 288 884 ILE . 25355 1 289 885 VAL . 25355 1 290 886 ASN . 25355 1 291 887 THR . 25355 1 292 888 LEU . 25355 1 293 889 ASP . 25355 1 294 890 LYS . 25355 1 295 891 MET . 25355 1 296 892 ILE . 25355 1 297 893 ARG . 25355 1 298 894 ASN . 25355 1 299 895 PRO . 25355 1 300 896 ASN . 25355 1 301 897 SER . 25355 1 302 898 LEU . 25355 1 303 899 LYS . 25355 1 304 900 ALA . 25355 1 305 901 MET . 25355 1 306 902 ALA . 25355 1 307 903 PRO . 25355 1 308 904 LEU . 25355 1 309 905 SER . 25355 1 310 906 SER . 25355 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 . MET 1 1 25355 1 . THR 2 2 25355 1 . PRO 3 3 25355 1 . GLY 4 4 25355 1 . MET 5 5 25355 1 . LYS 6 6 25355 1 . ILE 7 7 25355 1 . TYR 8 8 25355 1 . ILE 9 9 25355 1 . ASP 10 10 25355 1 . PRO 11 11 25355 1 . PHE 12 12 25355 1 . THR 13 13 25355 1 . TYR 14 14 25355 1 . GLU 15 15 25355 1 . ASP 16 16 25355 1 . PRO 17 17 25355 1 . ASN 18 18 25355 1 . GLU 19 19 25355 1 . ALA 20 20 25355 1 . VAL 21 21 25355 1 . ARG 22 22 25355 1 . GLU 23 23 25355 1 . PHE 24 24 25355 1 . ALA 25 25 25355 1 . LYS 26 26 25355 1 . GLU 27 27 25355 1 . ILE 28 28 25355 1 . ASP 29 29 25355 1 . ILE 30 30 25355 1 . SER 31 31 25355 1 . CYS 32 32 25355 1 . VAL 33 33 25355 1 . LYS 34 34 25355 1 . ILE 35 35 25355 1 . GLU 36 36 25355 1 . GLN 37 37 25355 1 . VAL 38 38 25355 1 . ILE 39 39 25355 1 . GLY 40 40 25355 1 . ALA 41 41 25355 1 . GLY 42 42 25355 1 . GLU 43 43 25355 1 . PHE 44 44 25355 1 . GLY 45 45 25355 1 . GLU 46 46 25355 1 . VAL 47 47 25355 1 . CYS 48 48 25355 1 . SER 49 49 25355 1 . GLY 50 50 25355 1 . HIS 51 51 25355 1 . LEU 52 52 25355 1 . LYS 53 53 25355 1 . LEU 54 54 25355 1 . PRO 55 55 25355 1 . GLY 56 56 25355 1 . LYS 57 57 25355 1 . ARG 58 58 25355 1 . GLU 59 59 25355 1 . ILE 60 60 25355 1 . PHE 61 61 25355 1 . VAL 62 62 25355 1 . ALA 63 63 25355 1 . ILE 64 64 25355 1 . LYS 65 65 25355 1 . THR 66 66 25355 1 . LEU 67 67 25355 1 . LYS 68 68 25355 1 . SER 69 69 25355 1 . GLY 70 70 25355 1 . TYR 71 71 25355 1 . THR 72 72 25355 1 . GLU 73 73 25355 1 . LYS 74 74 25355 1 . GLN 75 75 25355 1 . ARG 76 76 25355 1 . ARG 77 77 25355 1 . ASP 78 78 25355 1 . PHE 79 79 25355 1 . LEU 80 80 25355 1 . ALA 81 81 25355 1 . GLU 82 82 25355 1 . ALA 83 83 25355 1 . ALA 84 84 25355 1 . ILE 85 85 25355 1 . MET 86 86 25355 1 . GLY 87 87 25355 1 . GLN 88 88 25355 1 . PHE 89 89 25355 1 . ASP 90 90 25355 1 . HIS 91 91 25355 1 . PRO 92 92 25355 1 . ASN 93 93 25355 1 . VAL 94 94 25355 1 . ILE 95 95 25355 1 . HIS 96 96 25355 1 . LEU 97 97 25355 1 . GLU 98 98 25355 1 . GLY 99 99 25355 1 . VAL 100 100 25355 1 . VAL 101 101 25355 1 . THR 102 102 25355 1 . LYS 103 103 25355 1 . SER 104 104 25355 1 . THR 105 105 25355 1 . PRO 106 106 25355 1 . VAL 107 107 25355 1 . MET 108 108 25355 1 . ILE 109 109 25355 1 . ILE 110 110 25355 1 . THR 111 111 25355 1 . GLU 112 112 25355 1 . PHE 113 113 25355 1 . MET 114 114 25355 1 . GLU 115 115 25355 1 . ASN 116 116 25355 1 . GLY 117 117 25355 1 . SER 118 118 25355 1 . LEU 119 119 25355 1 . ASP 120 120 25355 1 . SER 121 121 25355 1 . PHE 122 122 25355 1 . LEU 123 123 25355 1 . ARG 124 124 25355 1 . GLN 125 125 25355 1 . ASN 126 126 25355 1 . ASP 127 127 25355 1 . GLY 128 128 25355 1 . GLN 129 129 25355 1 . PHE 130 130 25355 1 . THR 131 131 25355 1 . VAL 132 132 25355 1 . ILE 133 133 25355 1 . GLN 134 134 25355 1 . LEU 135 135 25355 1 . VAL 136 136 25355 1 . GLY 137 137 25355 1 . MET 138 138 25355 1 . LEU 139 139 25355 1 . ARG 140 140 25355 1 . GLY 141 141 25355 1 . ILE 142 142 25355 1 . ALA 143 143 25355 1 . ALA 144 144 25355 1 . GLY 145 145 25355 1 . MET 146 146 25355 1 . LYS 147 147 25355 1 . TYR 148 148 25355 1 . LEU 149 149 25355 1 . ALA 150 150 25355 1 . ASP 151 151 25355 1 . MET 152 152 25355 1 . ASN 153 153 25355 1 . TYR 154 154 25355 1 . VAL 155 155 25355 1 . HIS 156 156 25355 1 . ARG 157 157 25355 1 . ASP 158 158 25355 1 . LEU 159 159 25355 1 . ALA 160 160 25355 1 . ALA 161 161 25355 1 . ARG 162 162 25355 1 . ASN 163 163 25355 1 . ILE 164 164 25355 1 . LEU 165 165 25355 1 . VAL 166 166 25355 1 . ASN 167 167 25355 1 . SER 168 168 25355 1 . ASN 169 169 25355 1 . LEU 170 170 25355 1 . VAL 171 171 25355 1 . CYS 172 172 25355 1 . LYS 173 173 25355 1 . VAL 174 174 25355 1 . SER 175 175 25355 1 . ASP 176 176 25355 1 . PHE 177 177 25355 1 . GLY 178 178 25355 1 . LEU 179 179 25355 1 . SER 180 180 25355 1 . ARG 181 181 25355 1 . PHE 182 182 25355 1 . LEU 183 183 25355 1 . GLU 184 184 25355 1 . ASP 185 185 25355 1 . ASP 186 186 25355 1 . THR 187 187 25355 1 . SER 188 188 25355 1 . ASP 189 189 25355 1 . PRO 190 190 25355 1 . THR 191 191 25355 1 . TYR 192 192 25355 1 . THR 193 193 25355 1 . SER 194 194 25355 1 . ALA 195 195 25355 1 . LEU 196 196 25355 1 . GLY 197 197 25355 1 . GLY 198 198 25355 1 . LYS 199 199 25355 1 . ILE 200 200 25355 1 . PRO 201 201 25355 1 . ILE 202 202 25355 1 . ARG 203 203 25355 1 . TRP 204 204 25355 1 . THR 205 205 25355 1 . ALA 206 206 25355 1 . PRO 207 207 25355 1 . GLU 208 208 25355 1 . ALA 209 209 25355 1 . ILE 210 210 25355 1 . GLN 211 211 25355 1 . TYR 212 212 25355 1 . ARG 213 213 25355 1 . LYS 214 214 25355 1 . PHE 215 215 25355 1 . THR 216 216 25355 1 . SER 217 217 25355 1 . ALA 218 218 25355 1 . SER 219 219 25355 1 . ASP 220 220 25355 1 . VAL 221 221 25355 1 . TRP 222 222 25355 1 . SER 223 223 25355 1 . TYR 224 224 25355 1 . GLY 225 225 25355 1 . ILE 226 226 25355 1 . VAL 227 227 25355 1 . MET 228 228 25355 1 . TRP 229 229 25355 1 . GLU 230 230 25355 1 . VAL 231 231 25355 1 . MET 232 232 25355 1 . SER 233 233 25355 1 . TYR 234 234 25355 1 . GLY 235 235 25355 1 . GLU 236 236 25355 1 . ARG 237 237 25355 1 . PRO 238 238 25355 1 . TYR 239 239 25355 1 . TRP 240 240 25355 1 . ASP 241 241 25355 1 . MET 242 242 25355 1 . THR 243 243 25355 1 . ASN 244 244 25355 1 . GLN 245 245 25355 1 . ASP 246 246 25355 1 . VAL 247 247 25355 1 . ILE 248 248 25355 1 . ASN 249 249 25355 1 . ALA 250 250 25355 1 . ILE 251 251 25355 1 . GLU 252 252 25355 1 . GLN 253 253 25355 1 . ASP 254 254 25355 1 . TYR 255 255 25355 1 . ARG 256 256 25355 1 . LEU 257 257 25355 1 . PRO 258 258 25355 1 . PRO 259 259 25355 1 . PRO 260 260 25355 1 . MET 261 261 25355 1 . ASP 262 262 25355 1 . CYS 263 263 25355 1 . PRO 264 264 25355 1 . SER 265 265 25355 1 . ALA 266 266 25355 1 . LEU 267 267 25355 1 . HIS 268 268 25355 1 . GLN 269 269 25355 1 . LEU 270 270 25355 1 . MET 271 271 25355 1 . LEU 272 272 25355 1 . ASP 273 273 25355 1 . CYS 274 274 25355 1 . TRP 275 275 25355 1 . GLN 276 276 25355 1 . LYS 277 277 25355 1 . ASP 278 278 25355 1 . ARG 279 279 25355 1 . ASN 280 280 25355 1 . HIS 281 281 25355 1 . ARG 282 282 25355 1 . PRO 283 283 25355 1 . LYS 284 284 25355 1 . PHE 285 285 25355 1 . GLY 286 286 25355 1 . GLN 287 287 25355 1 . ILE 288 288 25355 1 . VAL 289 289 25355 1 . ASN 290 290 25355 1 . THR 291 291 25355 1 . LEU 292 292 25355 1 . ASP 293 293 25355 1 . LYS 294 294 25355 1 . MET 295 295 25355 1 . ILE 296 296 25355 1 . ARG 297 297 25355 1 . ASN 298 298 25355 1 . PRO 299 299 25355 1 . ASN 300 300 25355 1 . SER 301 301 25355 1 . LEU 302 302 25355 1 . LYS 303 303 25355 1 . ALA 304 304 25355 1 . MET 305 305 25355 1 . ALA 306 306 25355 1 . PRO 307 307 25355 1 . LEU 308 308 25355 1 . SER 309 309 25355 1 . SER 310 310 25355 1 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 25355 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EphB2_kinase_domain . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25355 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 25355 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EphB2_kinase_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . N.A. . . . 25355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25355 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'EphB2 kinase domain' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $EphB2_kinase_domain . . 0.6 . . mM . . . . 25355 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25355 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25355 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25355 _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 'ionic strength' 150 . mM 25355 1 pH 7.2 . pH 25355 1 pressure 1 . atm 25355 1 temperature 298 . K 25355 1 stop_ save_ ############################ # Computer software used # ############################ save_COMPASS _Software.Sf_category software _Software.Sf_framecode COMPASS _Software.Entry_ID 25355 _Software.ID 1 _Software.Name COMPASS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Niklasson, Ahlner, Andresen, Marsh, Lundstrom' . . 25355 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25355 1 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 25355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25355 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25355 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25355 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25355 1 2 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25355 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25355 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25355 1 5 '3D HNO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25355 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25355 _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 0.00 na indirect 0.251449530 . . . . . . . . . 25355 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25355 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25355 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 25355 1 2 '3D HN(CA)CB' . . . 25355 1 3 '3D HN(COCA)CB' . . . 25355 1 4 '3D HN(CA)CO' . . . 25355 1 5 '3D HNO' . . . 25355 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 1 1 MET C C 13 175.924 0.000 . 1 . . . . 597 MET CO . 25355 1 2 . 1 1 1 1 MET CB C 13 32.102 0.000 . 1 . . . . 597 MET CB . 25355 1 3 . 1 1 2 2 THR H H 1 8.182 0.010 . 1 . . . . 598 THR HN . 25355 1 4 . 1 1 2 2 THR C C 13 172.773 0.000 . 1 . . . . 598 THR CO . 25355 1 5 . 1 1 2 2 THR CA C 13 59.446 0.000 . 1 . . . . 598 THR CA . 25355 1 6 . 1 1 2 2 THR CB C 13 69.218 0.000 . 1 . . . . 598 THR CB . 25355 1 7 . 1 1 2 2 THR N N 15 119.156 0.059 . 1 . . . . 598 THR N . 25355 1 8 . 1 1 3 3 PRO C C 13 177.526 0.000 . 1 . . . . 599 PRO CO . 25355 1 9 . 1 1 3 3 PRO CA C 13 63.144 0.000 . 1 . . . . 599 PRO CA . 25355 1 10 . 1 1 4 4 GLY H H 1 8.463 0.002 . 1 . . . . 600 GLY HN . 25355 1 11 . 1 1 4 4 GLY C C 13 174.038 0.005 . 1 . . . . 600 GLY CO . 25355 1 12 . 1 1 4 4 GLY CA C 13 44.743 0.073 . 1 . . . . 600 GLY CA . 25355 1 13 . 1 1 4 4 GLY N N 15 110.429 0.009 . 1 . . . . 600 GLY N . 25355 1 14 . 1 1 5 5 MET H H 1 7.942 0.005 . 1 . . . . 601 MET HN . 25355 1 15 . 1 1 5 5 MET C C 13 175.673 0.006 . 1 . . . . 601 MET CO . 25355 1 16 . 1 1 5 5 MET CA C 13 55.084 0.049 . 1 . . . . 601 MET CA . 25355 1 17 . 1 1 5 5 MET CB C 13 32.575 0.018 . 1 . . . . 601 MET CB . 25355 1 18 . 1 1 5 5 MET N N 15 120.693 0.037 . 1 . . . . 601 MET N . 25355 1 19 . 1 1 6 6 LYS H H 1 8.293 0.010 . 1 . . . . 602 LYS HN . 25355 1 20 . 1 1 6 6 LYS C C 13 174.954 0.057 . 1 . . . . 602 LYS CO . 25355 1 21 . 1 1 6 6 LYS CA C 13 55.666 0.032 . 1 . . . . 602 LYS CA . 25355 1 22 . 1 1 6 6 LYS CB C 13 32.237 0.031 . 1 . . . . 602 LYS CB . 25355 1 23 . 1 1 6 6 LYS N N 15 124.672 0.020 . 1 . . . . 602 LYS N . 25355 1 24 . 1 1 7 7 ILE H H 1 7.838 0.009 . 1 . . . . 603 ILE HN . 25355 1 25 . 1 1 7 7 ILE C C 13 175.368 0.005 . 1 . . . . 603 ILE CO . 25355 1 26 . 1 1 7 7 ILE CA C 13 59.436 0.000 . 1 . . . . 603 ILE CA . 25355 1 27 . 1 1 7 7 ILE CB C 13 40.424 0.004 . 1 . . . . 603 ILE CB . 25355 1 28 . 1 1 7 7 ILE N N 15 119.440 0.053 . 1 . . . . 603 ILE N . 25355 1 29 . 1 1 8 8 TYR H H 1 9.012 0.006 . 1 . . . . 604 TYR HN . 25355 1 30 . 1 1 8 8 TYR C C 13 173.357 0.008 . 1 . . . . 604 TYR CO . 25355 1 31 . 1 1 8 8 TYR CA C 13 57.418 0.024 . 1 . . . . 604 TYR CA . 25355 1 32 . 1 1 8 8 TYR CB C 13 38.190 0.121 . 1 . . . . 604 TYR CB . 25355 1 33 . 1 1 8 8 TYR N N 15 125.205 0.023 . 1 . . . . 604 TYR N . 25355 1 34 . 1 1 9 9 ILE H H 1 9.117 0.008 . 1 . . . . 605 ILE HN . 25355 1 35 . 1 1 9 9 ILE C C 13 173.666 0.000 . 1 . . . . 605 ILE CO . 25355 1 36 . 1 1 9 9 ILE CA C 13 58.055 0.134 . 1 . . . . 605 ILE CA . 25355 1 37 . 1 1 9 9 ILE CB C 13 38.401 0.034 . 1 . . . . 605 ILE CB . 25355 1 38 . 1 1 9 9 ILE N N 15 131.624 0.052 . 1 . . . . 605 ILE N . 25355 1 39 . 1 1 10 10 ASP H H 1 7.943 0.005 . 1 . . . . 606 ASP HN . 25355 1 40 . 1 1 10 10 ASP C C 13 176.744 0.000 . 1 . . . . 606 ASP CO . 25355 1 41 . 1 1 10 10 ASP CA C 13 50.953 0.000 . 1 . . . . 606 ASP CA . 25355 1 42 . 1 1 10 10 ASP CB C 13 41.236 0.000 . 1 . . . . 606 ASP CB . 25355 1 43 . 1 1 10 10 ASP N N 15 127.409 0.068 . 1 . . . . 606 ASP N . 25355 1 44 . 1 1 11 11 PRO C C 13 177.083 0.000 . 1 . . . . 607 PRO CO . 25355 1 45 . 1 1 11 11 PRO CA C 13 64.116 0.000 . 1 . . . . 607 PRO CA . 25355 1 46 . 1 1 11 11 PRO CB C 13 31.351 0.000 . 1 . . . . 607 PRO CB . 25355 1 47 . 1 1 12 12 PHE H H 1 8.542 0.004 . 1 . . . . 608 PHE HN . 25355 1 48 . 1 1 12 12 PHE C C 13 176.918 0.012 . 1 . . . . 608 PHE CO . 25355 1 49 . 1 1 12 12 PHE CA C 13 58.479 0.032 . 1 . . . . 608 PHE CA . 25355 1 50 . 1 1 12 12 PHE CB C 13 35.872 0.000 . 1 . . . . 608 PHE CB . 25355 1 51 . 1 1 12 12 PHE N N 15 115.701 0.043 . 1 . . . . 608 PHE N . 25355 1 52 . 1 1 13 13 THR H H 1 8.043 0.004 . 1 . . . . 609 THR HN . 25355 1 53 . 1 1 13 13 THR C C 13 175.292 0.007 . 1 . . . . 609 THR CO . 25355 1 54 . 1 1 13 13 THR CA C 13 62.686 0.017 . 1 . . . . 609 THR CA . 25355 1 55 . 1 1 13 13 THR CB C 13 69.572 0.118 . 1 . . . . 609 THR CB . 25355 1 56 . 1 1 13 13 THR N N 15 110.643 0.041 . 1 . . . . 609 THR N . 25355 1 57 . 1 1 14 14 TYR H H 1 7.328 0.004 . 1 . . . . 610 TYR HN . 25355 1 58 . 1 1 14 14 TYR C C 13 176.010 0.019 . 1 . . . . 610 TYR CO . 25355 1 59 . 1 1 14 14 TYR CA C 13 57.454 0.027 . 1 . . . . 610 TYR CA . 25355 1 60 . 1 1 14 14 TYR CB C 13 37.490 0.012 . 1 . . . . 610 TYR CB . 25355 1 61 . 1 1 14 14 TYR N N 15 123.761 0.016 . 1 . . . . 610 TYR N . 25355 1 62 . 1 1 15 15 GLU H H 1 8.572 0.007 . 1 . . . . 611 GLU HN . 25355 1 63 . 1 1 15 15 GLU C C 13 176.999 0.030 . 1 . . . . 611 GLU CO . 25355 1 64 . 1 1 15 15 GLU CA C 13 58.755 0.012 . 1 . . . . 611 GLU CA . 25355 1 65 . 1 1 15 15 GLU CB C 13 28.574 0.016 . 1 . . . . 611 GLU CB . 25355 1 66 . 1 1 15 15 GLU N N 15 123.671 0.041 . 1 . . . . 611 GLU N . 25355 1 67 . 1 1 16 16 ASP H H 1 8.135 0.011 . 1 . . . . 612 ASP HN . 25355 1 68 . 1 1 16 16 ASP C C 13 175.271 0.000 . 1 . . . . 612 ASP CO . 25355 1 69 . 1 1 16 16 ASP CA C 13 49.544 0.000 . 1 . . . . 612 ASP CA . 25355 1 70 . 1 1 16 16 ASP CB C 13 41.428 0.000 . 1 . . . . 612 ASP CB . 25355 1 71 . 1 1 16 16 ASP N N 15 116.020 0.010 . 1 . . . . 612 ASP N . 25355 1 72 . 1 1 17 17 PRO C C 13 178.575 0.000 . 1 . . . . 613 PRO CO . 25355 1 73 . 1 1 17 17 PRO CA C 13 64.003 0.000 . 1 . . . . 613 PRO CA . 25355 1 74 . 1 1 17 17 PRO CB C 13 31.182 0.000 . 1 . . . . 613 PRO CB . 25355 1 75 . 1 1 18 18 ASN H H 1 8.184 0.009 . 1 . . . . 614 ASN HN . 25355 1 76 . 1 1 18 18 ASN C C 13 177.972 0.004 . 1 . . . . 614 ASN CO . 25355 1 77 . 1 1 18 18 ASN CA C 13 55.433 0.029 . 1 . . . . 614 ASN CA . 25355 1 78 . 1 1 18 18 ASN CB C 13 37.825 0.011 . 1 . . . . 614 ASN CB . 25355 1 79 . 1 1 18 18 ASN N N 15 115.506 0.065 . 1 . . . . 614 ASN N . 25355 1 80 . 1 1 19 19 GLU H H 1 8.184 0.006 . 1 . . . . 615 GLU HN . 25355 1 81 . 1 1 19 19 GLU C C 13 178.052 0.018 . 1 . . . . 615 GLU CO . 25355 1 82 . 1 1 19 19 GLU CA C 13 58.239 0.099 . 1 . . . . 615 GLU CA . 25355 1 83 . 1 1 19 19 GLU CB C 13 28.575 0.115 . 1 . . . . 615 GLU CB . 25355 1 84 . 1 1 19 19 GLU N N 15 120.755 0.061 . 1 . . . . 615 GLU N . 25355 1 85 . 1 1 20 20 ALA H H 1 6.729 0.004 . 1 . . . . 616 ALA HN . 25355 1 86 . 1 1 20 20 ALA C C 13 178.561 0.021 . 1 . . . . 616 ALA CO . 25355 1 87 . 1 1 20 20 ALA CA C 13 53.971 0.011 . 1 . . . . 616 ALA CA . 25355 1 88 . 1 1 20 20 ALA CB C 13 16.590 0.013 . 1 . . . . 616 ALA CB . 25355 1 89 . 1 1 20 20 ALA N N 15 121.283 0.068 . 1 . . . . 616 ALA N . 25355 1 90 . 1 1 21 21 VAL H H 1 6.876 0.009 . 1 . . . . 617 VAL HN . 25355 1 91 . 1 1 21 21 VAL C C 13 176.519 0.000 . 1 . . . . 617 VAL CO . 25355 1 92 . 1 1 21 21 VAL CA C 13 65.965 0.007 . 1 . . . . 617 VAL CA . 25355 1 93 . 1 1 21 21 VAL CB C 13 30.657 0.072 . 1 . . . . 617 VAL CB . 25355 1 94 . 1 1 21 21 VAL N N 15 117.226 0.035 . 1 . . . . 617 VAL N . 25355 1 95 . 1 1 22 22 ARG H H 1 7.123 0.006 . 1 . . . . 618 ARG HN . 25355 1 96 . 1 1 22 22 ARG C C 13 178.174 0.000 . 1 . . . . 618 ARG CO . 25355 1 97 . 1 1 22 22 ARG CA C 13 57.648 0.000 . 1 . . . . 618 ARG CA . 25355 1 98 . 1 1 22 22 ARG CB C 13 29.174 0.000 . 1 . . . . 618 ARG CB . 25355 1 99 . 1 1 22 22 ARG N N 15 116.034 0.053 . 1 . . . . 618 ARG N . 25355 1 100 . 1 1 23 23 GLU C C 13 178.445 0.000 . 1 . . . . 619 GLU CO . 25355 1 101 . 1 1 23 23 GLU CA C 13 58.149 0.000 . 1 . . . . 619 GLU CA . 25355 1 102 . 1 1 23 23 GLU CB C 13 28.931 0.000 . 1 . . . . 619 GLU CB . 25355 1 103 . 1 1 24 24 PHE H H 1 7.189 0.004 . 1 . . . . 620 PHE HN . 25355 1 104 . 1 1 24 24 PHE C C 13 173.897 0.005 . 1 . . . . 620 PHE CO . 25355 1 105 . 1 1 24 24 PHE CA C 13 57.832 0.021 . 1 . . . . 620 PHE CA . 25355 1 106 . 1 1 24 24 PHE CB C 13 40.219 0.026 . 1 . . . . 620 PHE CB . 25355 1 107 . 1 1 24 24 PHE N N 15 113.699 0.021 . 1 . . . . 620 PHE N . 25355 1 108 . 1 1 25 25 ALA H H 1 8.108 0.003 . 1 . . . . 621 ALA HN . 25355 1 109 . 1 1 25 25 ALA C C 13 175.442 0.001 . 1 . . . . 621 ALA CO . 25355 1 110 . 1 1 25 25 ALA CA C 13 49.555 0.025 . 1 . . . . 621 ALA CA . 25355 1 111 . 1 1 25 25 ALA CB C 13 21.710 0.018 . 1 . . . . 621 ALA CB . 25355 1 112 . 1 1 25 25 ALA N N 15 122.799 0.036 . 1 . . . . 621 ALA N . 25355 1 113 . 1 1 26 26 LYS H H 1 8.585 0.012 . 1 . . . . 622 LYS HN . 25355 1 114 . 1 1 26 26 LYS C C 13 174.774 0.005 . 1 . . . . 622 LYS CO . 25355 1 115 . 1 1 26 26 LYS CA C 13 55.579 0.028 . 1 . . . . 622 LYS CA . 25355 1 116 . 1 1 26 26 LYS CB C 13 32.289 0.042 . 1 . . . . 622 LYS CB . 25355 1 117 . 1 1 26 26 LYS N N 15 124.997 0.055 . 1 . . . . 622 LYS N . 25355 1 118 . 1 1 27 27 GLU H H 1 8.230 0.007 . 1 . . . . 623 GLU HN . 25355 1 119 . 1 1 27 27 GLU C C 13 176.285 0.009 . 1 . . . . 623 GLU CO . 25355 1 120 . 1 1 27 27 GLU CA C 13 54.957 0.052 . 1 . . . . 623 GLU CA . 25355 1 121 . 1 1 27 27 GLU CB C 13 28.346 0.008 . 1 . . . . 623 GLU CB . 25355 1 122 . 1 1 27 27 GLU N N 15 126.698 0.033 . 1 . . . . 623 GLU N . 25355 1 123 . 1 1 28 28 ILE H H 1 9.174 0.005 . 1 . . . . 624 ILE HN . 25355 1 124 . 1 1 28 28 ILE C C 13 175.625 0.016 . 1 . . . . 624 ILE CO . 25355 1 125 . 1 1 28 28 ILE CA C 13 58.962 0.007 . 1 . . . . 624 ILE CA . 25355 1 126 . 1 1 28 28 ILE CB C 13 38.803 0.014 . 1 . . . . 624 ILE CB . 25355 1 127 . 1 1 28 28 ILE N N 15 133.078 0.029 . 1 . . . . 624 ILE N . 25355 1 128 . 1 1 29 29 ASP H H 1 8.587 0.009 . 1 . . . . 625 ASP HN . 25355 1 129 . 1 1 29 29 ASP C C 13 177.369 0.022 . 1 . . . . 625 ASP CO . 25355 1 130 . 1 1 29 29 ASP CA C 13 54.960 0.015 . 1 . . . . 625 ASP CA . 25355 1 131 . 1 1 29 29 ASP CB C 13 42.269 0.024 . 1 . . . . 625 ASP CB . 25355 1 132 . 1 1 29 29 ASP N N 15 128.740 0.024 . 1 . . . . 625 ASP N . 25355 1 133 . 1 1 30 30 ILE H H 1 8.522 0.006 . 1 . . . . 626 ILE HN . 25355 1 134 . 1 1 30 30 ILE C C 13 176.293 0.010 . 1 . . . . 626 ILE CO . 25355 1 135 . 1 1 30 30 ILE CA C 13 62.141 0.001 . 1 . . . . 626 ILE CA . 25355 1 136 . 1 1 30 30 ILE CB C 13 37.399 0.050 . 1 . . . . 626 ILE CB . 25355 1 137 . 1 1 30 30 ILE N N 15 128.135 0.032 . 1 . . . . 626 ILE N . 25355 1 138 . 1 1 31 31 SER H H 1 8.386 0.007 . 1 . . . . 627 SER HN . 25355 1 139 . 1 1 31 31 SER C C 13 176.089 0.003 . 1 . . . . 627 SER CO . 25355 1 140 . 1 1 31 31 SER CA C 13 60.439 0.009 . 1 . . . . 627 SER CA . 25355 1 141 . 1 1 31 31 SER CB C 13 62.524 0.099 . 1 . . . . 627 SER CB . 25355 1 142 . 1 1 31 31 SER N N 15 117.929 0.047 . 1 . . . . 627 SER N . 25355 1 143 . 1 1 32 32 CYS H H 1 8.105 0.005 . 1 . . . . 628 CYS HN . 25355 1 144 . 1 1 32 32 CYS C C 13 173.164 0.014 . 1 . . . . 628 CYS CO . 25355 1 145 . 1 1 32 32 CYS CA C 13 59.566 0.007 . 1 . . . . 628 CYS CA . 25355 1 146 . 1 1 32 32 CYS CB C 13 28.240 0.035 . 1 . . . . 628 CYS CB . 25355 1 147 . 1 1 32 32 CYS N N 15 119.129 0.070 . 1 . . . . 628 CYS N . 25355 1 148 . 1 1 33 33 VAL H H 1 7.610 0.003 . 1 . . . . 629 VAL HN . 25355 1 149 . 1 1 33 33 VAL C C 13 174.029 0.008 . 1 . . . . 629 VAL CO . 25355 1 150 . 1 1 33 33 VAL CA C 13 61.109 0.051 . 1 . . . . 629 VAL CA . 25355 1 151 . 1 1 33 33 VAL CB C 13 33.166 0.022 . 1 . . . . 629 VAL CB . 25355 1 152 . 1 1 33 33 VAL N N 15 121.063 0.029 . 1 . . . . 629 VAL N . 25355 1 153 . 1 1 34 34 LYS H H 1 8.444 0.006 . 1 . . . . 630 LYS HN . 25355 1 154 . 1 1 34 34 LYS C C 13 175.472 0.001 . 1 . . . . 630 LYS CO . 25355 1 155 . 1 1 34 34 LYS CA C 13 53.919 0.011 . 1 . . . . 630 LYS CA . 25355 1 156 . 1 1 34 34 LYS CB C 13 33.876 0.069 . 1 . . . . 630 LYS CB . 25355 1 157 . 1 1 34 34 LYS N N 15 127.775 0.054 . 1 . . . . 630 LYS N . 25355 1 158 . 1 1 35 35 ILE H H 1 8.807 0.008 . 1 . . . . 631 ILE HN . 25355 1 159 . 1 1 35 35 ILE C C 13 175.933 0.006 . 1 . . . . 631 ILE CO . 25355 1 160 . 1 1 35 35 ILE CA C 13 62.498 0.028 . 1 . . . . 631 ILE CA . 25355 1 161 . 1 1 35 35 ILE CB C 13 37.306 0.000 . 1 . . . . 631 ILE CB . 25355 1 162 . 1 1 35 35 ILE N N 15 127.312 0.028 . 1 . . . . 631 ILE N . 25355 1 163 . 1 1 36 36 GLU H H 1 9.028 0.012 . 1 . . . . 632 GLU HN . 25355 1 164 . 1 1 36 36 GLU C C 13 175.439 0.000 . 1 . . . . 632 GLU CO . 25355 1 165 . 1 1 36 36 GLU CA C 13 56.706 0.000 . 1 . . . . 632 GLU CA . 25355 1 166 . 1 1 36 36 GLU CB C 13 30.092 0.000 . 1 . . . . 632 GLU CB . 25355 1 167 . 1 1 36 36 GLU N N 15 129.278 0.053 . 1 . . . . 632 GLU N . 25355 1 168 . 1 1 37 37 GLN C C 13 174.501 0.000 . 1 . . . . 633 GLN CO . 25355 1 169 . 1 1 37 37 GLN CA C 13 54.325 0.000 . 1 . . . . 633 GLN CA . 25355 1 170 . 1 1 37 37 GLN CB C 13 31.189 0.000 . 1 . . . . 633 GLN CB . 25355 1 171 . 1 1 38 38 VAL H H 1 8.717 0.006 . 1 . . . . 634 VAL HN . 25355 1 172 . 1 1 38 38 VAL C C 13 176.876 0.007 . 1 . . . . 634 VAL CO . 25355 1 173 . 1 1 38 38 VAL CA C 13 63.059 0.031 . 1 . . . . 634 VAL CA . 25355 1 174 . 1 1 38 38 VAL CB C 13 31.206 0.071 . 1 . . . . 634 VAL CB . 25355 1 175 . 1 1 38 38 VAL N N 15 124.904 0.028 . 1 . . . . 634 VAL N . 25355 1 176 . 1 1 39 39 ILE H H 1 9.463 0.003 . 1 . . . . 635 ILE HN . 25355 1 177 . 1 1 39 39 ILE C C 13 176.329 0.016 . 1 . . . . 635 ILE CO . 25355 1 178 . 1 1 39 39 ILE CA C 13 61.197 0.070 . 1 . . . . 635 ILE CA . 25355 1 179 . 1 1 39 39 ILE CB C 13 38.535 0.060 . 1 . . . . 635 ILE CB . 25355 1 180 . 1 1 39 39 ILE N N 15 125.436 0.040 . 1 . . . . 635 ILE N . 25355 1 181 . 1 1 40 40 GLY H H 1 7.994 0.004 . 1 . . . . 636 GLY HN . 25355 1 182 . 1 1 40 40 GLY C C 13 171.029 0.036 . 1 . . . . 636 GLY CO . 25355 1 183 . 1 1 40 40 GLY CA C 13 45.209 0.079 . 1 . . . . 636 GLY CA . 25355 1 184 . 1 1 40 40 GLY N N 15 109.734 0.051 . 1 . . . . 636 GLY N . 25355 1 185 . 1 1 41 41 ALA H H 1 8.516 0.009 . 1 . . . . 637 ALA HN . 25355 1 186 . 1 1 41 41 ALA C C 13 176.900 0.004 . 1 . . . . 637 ALA CO . 25355 1 187 . 1 1 41 41 ALA CA C 13 51.597 0.016 . 1 . . . . 637 ALA CA . 25355 1 188 . 1 1 41 41 ALA CB C 13 20.312 0.019 . 1 . . . . 637 ALA CB . 25355 1 189 . 1 1 41 41 ALA N N 15 124.220 0.037 . 1 . . . . 637 ALA N . 25355 1 190 . 1 1 42 42 GLY H H 1 8.312 0.006 . 1 . . . . 638 GLY HN . 25355 1 191 . 1 1 42 42 GLY C C 13 173.817 0.001 . 1 . . . . 638 GLY CO . 25355 1 192 . 1 1 42 42 GLY CA C 13 43.296 0.082 . 1 . . . . 638 GLY CA . 25355 1 193 . 1 1 42 42 GLY N N 15 110.605 0.023 . 1 . . . . 638 GLY N . 25355 1 194 . 1 1 43 43 GLU H H 1 8.630 0.004 . 1 . . . . 639 GLU HN . 25355 1 195 . 1 1 43 43 GLU C C 13 177.643 0.000 . 1 . . . . 639 GLU CO . 25355 1 196 . 1 1 43 43 GLU CA C 13 58.753 0.000 . 1 . . . . 639 GLU CA . 25355 1 197 . 1 1 43 43 GLU CB C 13 29.479 0.000 . 1 . . . . 639 GLU CB . 25355 1 198 . 1 1 43 43 GLU N N 15 122.074 0.027 . 1 . . . . 639 GLU N . 25355 1 199 . 1 1 44 44 PHE H H 1 9.058 0.012 . 1 . . . . 640 PHE HN . 25355 1 200 . 1 1 44 44 PHE C C 13 174.625 0.007 . 1 . . . . 640 PHE CO . 25355 1 201 . 1 1 44 44 PHE CA C 13 57.302 0.098 . 1 . . . . 640 PHE CA . 25355 1 202 . 1 1 44 44 PHE CB C 13 39.847 0.001 . 1 . . . . 640 PHE CB . 25355 1 203 . 1 1 44 44 PHE N N 15 114.375 0.082 . 1 . . . . 640 PHE N . 25355 1 204 . 1 1 45 45 GLY H H 1 6.916 0.008 . 1 . . . . 641 GLY HN . 25355 1 205 . 1 1 45 45 GLY C C 13 173.295 0.008 . 1 . . . . 641 GLY CO . 25355 1 206 . 1 1 45 45 GLY CA C 13 45.371 0.028 . 1 . . . . 641 GLY CA . 25355 1 207 . 1 1 45 45 GLY N N 15 106.904 0.040 . 1 . . . . 641 GLY N . 25355 1 208 . 1 1 46 46 GLU H H 1 8.264 0.004 . 1 . . . . 642 GLU HN . 25355 1 209 . 1 1 46 46 GLU C C 13 176.029 0.011 . 1 . . . . 642 GLU CO . 25355 1 210 . 1 1 46 46 GLU CA C 13 56.451 0.015 . 1 . . . . 642 GLU CA . 25355 1 211 . 1 1 46 46 GLU CB C 13 31.014 0.005 . 1 . . . . 642 GLU CB . 25355 1 212 . 1 1 46 46 GLU N N 15 121.449 0.033 . 1 . . . . 642 GLU N . 25355 1 213 . 1 1 47 47 VAL H H 1 8.496 0.005 . 1 . . . . 643 VAL HN . 25355 1 214 . 1 1 47 47 VAL C C 13 175.811 0.005 . 1 . . . . 643 VAL CO . 25355 1 215 . 1 1 47 47 VAL CA C 13 61.675 0.040 . 1 . . . . 643 VAL CA . 25355 1 216 . 1 1 47 47 VAL CB C 13 32.237 0.114 . 1 . . . . 643 VAL CB . 25355 1 217 . 1 1 47 47 VAL N N 15 123.660 0.037 . 1 . . . . 643 VAL N . 25355 1 218 . 1 1 48 48 CYS H H 1 9.647 0.007 . 1 . . . . 644 CYS HN . 25355 1 219 . 1 1 48 48 CYS C C 13 173.732 0.011 . 1 . . . . 644 CYS CO . 25355 1 220 . 1 1 48 48 CYS CA C 13 56.673 0.019 . 1 . . . . 644 CYS CA . 25355 1 221 . 1 1 48 48 CYS CB C 13 32.362 0.083 . 1 . . . . 644 CYS CB . 25355 1 222 . 1 1 48 48 CYS N N 15 124.383 0.017 . 1 . . . . 644 CYS N . 25355 1 223 . 1 1 49 49 SER H H 1 9.319 0.006 . 1 . . . . 645 SER HN . 25355 1 224 . 1 1 49 49 SER C C 13 174.804 0.008 . 1 . . . . 645 SER CO . 25355 1 225 . 1 1 49 49 SER CA C 13 55.962 0.016 . 1 . . . . 645 SER CA . 25355 1 226 . 1 1 49 49 SER CB C 13 65.727 0.052 . 1 . . . . 645 SER CB . 25355 1 227 . 1 1 49 49 SER N N 15 117.163 0.052 . 1 . . . . 645 SER N . 25355 1 228 . 1 1 50 50 GLY H H 1 7.977 0.007 . 1 . . . . 646 GLY HN . 25355 1 229 . 1 1 50 50 GLY C C 13 170.404 0.045 . 1 . . . . 646 GLY CO . 25355 1 230 . 1 1 50 50 GLY CA C 13 45.752 0.050 . 1 . . . . 646 GLY CA . 25355 1 231 . 1 1 50 50 GLY N N 15 108.484 0.049 . 1 . . . . 646 GLY N . 25355 1 232 . 1 1 51 51 HIS H H 1 8.705 0.005 . 1 . . . . 647 HIS HN . 25355 1 233 . 1 1 51 51 HIS C C 13 173.323 0.015 . 1 . . . . 647 HIS CO . 25355 1 234 . 1 1 51 51 HIS CA C 13 54.683 0.073 . 1 . . . . 647 HIS CA . 25355 1 235 . 1 1 51 51 HIS CB C 13 32.992 0.053 . 1 . . . . 647 HIS CB . 25355 1 236 . 1 1 51 51 HIS N N 15 117.505 0.068 . 1 . . . . 647 HIS N . 25355 1 237 . 1 1 52 52 LEU H H 1 9.128 0.005 . 1 . . . . 648 LEU HN . 25355 1 238 . 1 1 52 52 LEU C C 13 174.960 0.001 . 1 . . . . 648 LEU CO . 25355 1 239 . 1 1 52 52 LEU CA C 13 52.590 0.006 . 1 . . . . 648 LEU CA . 25355 1 240 . 1 1 52 52 LEU CB C 13 45.478 0.030 . 1 . . . . 648 LEU CB . 25355 1 241 . 1 1 52 52 LEU N N 15 123.823 0.046 . 1 . . . . 648 LEU N . 25355 1 242 . 1 1 53 53 LYS H H 1 9.237 0.011 . 1 . . . . 649 LYS HN . 25355 1 243 . 1 1 53 53 LYS C C 13 174.506 0.004 . 1 . . . . 649 LYS CO . 25355 1 244 . 1 1 53 53 LYS CA C 13 54.363 0.037 . 1 . . . . 649 LYS CA . 25355 1 245 . 1 1 53 53 LYS CB C 13 32.650 0.004 . 1 . . . . 649 LYS CB . 25355 1 246 . 1 1 53 53 LYS N N 15 131.954 0.076 . 1 . . . . 649 LYS N . 25355 1 247 . 1 1 54 54 LEU H H 1 8.371 0.005 . 1 . . . . 650 LEU HN . 25355 1 248 . 1 1 54 54 LEU C C 13 174.981 0.000 . 1 . . . . 650 LEU CO . 25355 1 249 . 1 1 54 54 LEU CA C 13 52.251 0.000 . 1 . . . . 650 LEU CA . 25355 1 250 . 1 1 54 54 LEU CB C 13 40.252 0.000 . 1 . . . . 650 LEU CB . 25355 1 251 . 1 1 54 54 LEU N N 15 128.345 0.019 . 1 . . . . 650 LEU N . 25355 1 252 . 1 1 56 56 GLY C C 13 173.804 0.000 . 1 . . . . 652 GLY CO . 25355 1 253 . 1 1 56 56 GLY CA C 13 45.255 0.068 . 1 . . . . 652 GLY CA . 25355 1 254 . 1 1 57 57 LYS H H 1 7.812 0.005 . 1 . . . . 653 LYS HN . 25355 1 255 . 1 1 57 57 LYS C C 13 175.746 0.009 . 1 . . . . 653 LYS CO . 25355 1 256 . 1 1 57 57 LYS CA C 13 53.715 0.001 . 1 . . . . 653 LYS CA . 25355 1 257 . 1 1 57 57 LYS CB C 13 33.638 0.010 . 1 . . . . 653 LYS CB . 25355 1 258 . 1 1 57 57 LYS N N 15 119.702 0.052 . 1 . . . . 653 LYS N . 25355 1 259 . 1 1 58 58 ARG H H 1 7.981 0.011 . 1 . . . . 654 ARG HN . 25355 1 260 . 1 1 58 58 ARG C C 13 176.555 0.049 . 1 . . . . 654 ARG CO . 25355 1 261 . 1 1 58 58 ARG CA C 13 55.566 0.049 . 1 . . . . 654 ARG CA . 25355 1 262 . 1 1 58 58 ARG CB C 13 29.932 0.023 . 1 . . . . 654 ARG CB . 25355 1 263 . 1 1 58 58 ARG N N 15 120.472 0.014 . 1 . . . . 654 ARG N . 25355 1 264 . 1 1 59 59 GLU H H 1 8.784 0.015 . 1 . . . . 655 GLU HN . 25355 1 265 . 1 1 59 59 GLU C C 13 175.558 0.005 . 1 . . . . 655 GLU CO . 25355 1 266 . 1 1 59 59 GLU CA C 13 56.438 0.026 . 1 . . . . 655 GLU CA . 25355 1 267 . 1 1 59 59 GLU CB C 13 30.105 0.035 . 1 . . . . 655 GLU CB . 25355 1 268 . 1 1 59 59 GLU N N 15 124.964 0.056 . 1 . . . . 655 GLU N . 25355 1 269 . 1 1 60 60 ILE H H 1 8.326 0.006 . 1 . . . . 656 ILE HN . 25355 1 270 . 1 1 60 60 ILE C C 13 175.072 0.047 . 1 . . . . 656 ILE CO . 25355 1 271 . 1 1 60 60 ILE CA C 13 59.190 0.034 . 1 . . . . 656 ILE CA . 25355 1 272 . 1 1 60 60 ILE CB C 13 41.717 0.013 . 1 . . . . 656 ILE CB . 25355 1 273 . 1 1 60 60 ILE N N 15 119.382 0.047 . 1 . . . . 656 ILE N . 25355 1 274 . 1 1 61 61 PHE H H 1 8.703 0.003 . 1 . . . . 657 PHE HN . 25355 1 275 . 1 1 61 61 PHE C C 13 175.488 0.003 . 1 . . . . 657 PHE CO . 25355 1 276 . 1 1 61 61 PHE CA C 13 57.135 0.020 . 1 . . . . 657 PHE CA . 25355 1 277 . 1 1 61 61 PHE CB C 13 39.389 0.013 . 1 . . . . 657 PHE CB . 25355 1 278 . 1 1 61 61 PHE N N 15 126.239 0.064 . 1 . . . . 657 PHE N . 25355 1 279 . 1 1 62 62 VAL H H 1 8.184 0.008 . 1 . . . . 658 VAL HN . 25355 1 280 . 1 1 62 62 VAL C C 13 173.983 0.041 . 1 . . . . 658 VAL CO . 25355 1 281 . 1 1 62 62 VAL CA C 13 59.782 0.044 . 1 . . . . 658 VAL CA . 25355 1 282 . 1 1 62 62 VAL CB C 13 35.337 0.076 . 1 . . . . 658 VAL CB . 25355 1 283 . 1 1 62 62 VAL N N 15 115.272 0.060 . 1 . . . . 658 VAL N . 25355 1 284 . 1 1 63 63 ALA H H 1 8.355 0.003 . 1 . . . . 659 ALA HN . 25355 1 285 . 1 1 63 63 ALA C C 13 176.306 0.007 . 1 . . . . 659 ALA CO . 25355 1 286 . 1 1 63 63 ALA CA C 13 50.453 0.027 . 1 . . . . 659 ALA CA . 25355 1 287 . 1 1 63 63 ALA CB C 13 20.199 0.002 . 1 . . . . 659 ALA CB . 25355 1 288 . 1 1 63 63 ALA N N 15 122.649 0.033 . 1 . . . . 659 ALA N . 25355 1 289 . 1 1 64 64 ILE H H 1 8.692 0.013 . 1 . . . . 660 ILE HN . 25355 1 290 . 1 1 64 64 ILE C C 13 175.296 0.028 . 1 . . . . 660 ILE CO . 25355 1 291 . 1 1 64 64 ILE CA C 13 59.900 0.010 . 1 . . . . 660 ILE CA . 25355 1 292 . 1 1 64 64 ILE CB C 13 42.315 0.089 . 1 . . . . 660 ILE CB . 25355 1 293 . 1 1 64 64 ILE N N 15 121.380 0.047 . 1 . . . . 660 ILE N . 25355 1 294 . 1 1 65 65 LYS H H 1 9.160 0.008 . 1 . . . . 661 LYS HN . 25355 1 295 . 1 1 65 65 LYS C C 13 176.250 0.019 . 1 . . . . 661 LYS CO . 25355 1 296 . 1 1 65 65 LYS CA C 13 55.340 0.044 . 1 . . . . 661 LYS CA . 25355 1 297 . 1 1 65 65 LYS CB C 13 33.259 0.051 . 1 . . . . 661 LYS CB . 25355 1 298 . 1 1 65 65 LYS N N 15 127.515 0.099 . 1 . . . . 661 LYS N . 25355 1 299 . 1 1 66 66 THR H H 1 8.419 0.009 . 1 . . . . 662 THR HN . 25355 1 300 . 1 1 66 66 THR C C 13 172.961 0.017 . 1 . . . . 662 THR CO . 25355 1 301 . 1 1 66 66 THR CA C 13 59.099 0.009 . 1 . . . . 662 THR CA . 25355 1 302 . 1 1 66 66 THR CB C 13 71.016 0.002 . 1 . . . . 662 THR CB . 25355 1 303 . 1 1 66 66 THR N N 15 113.959 0.048 . 1 . . . . 662 THR N . 25355 1 304 . 1 1 67 67 LEU H H 1 7.684 0.005 . 1 . . . . 663 LEU HN . 25355 1 305 . 1 1 67 67 LEU C C 13 176.447 0.041 . 1 . . . . 663 LEU CO . 25355 1 306 . 1 1 67 67 LEU CA C 13 52.608 0.024 . 1 . . . . 663 LEU CA . 25355 1 307 . 1 1 67 67 LEU CB C 13 41.249 0.008 . 1 . . . . 663 LEU CB . 25355 1 308 . 1 1 67 67 LEU N N 15 124.307 0.049 . 1 . . . . 663 LEU N . 25355 1 309 . 1 1 68 68 LYS H H 1 8.674 0.007 . 1 . . . . 664 LYS HN . 25355 1 310 . 1 1 68 68 LYS C C 13 175.241 0.003 . 1 . . . . 664 LYS CO . 25355 1 311 . 1 1 68 68 LYS CA C 13 56.396 0.009 . 1 . . . . 664 LYS CA . 25355 1 312 . 1 1 68 68 LYS CB C 13 32.111 0.002 . 1 . . . . 664 LYS CB . 25355 1 313 . 1 1 68 68 LYS N N 15 128.205 0.049 . 1 . . . . 664 LYS N . 25355 1 314 . 1 1 69 69 SER H H 1 8.170 0.007 . 1 . . . . 665 SER HN . 25355 1 315 . 1 1 69 69 SER C C 13 175.298 0.000 . 1 . . . . 665 SER CO . 25355 1 316 . 1 1 69 69 SER CA C 13 59.356 0.000 . 1 . . . . 665 SER CA . 25355 1 317 . 1 1 69 69 SER CB C 13 62.674 0.000 . 1 . . . . 665 SER CB . 25355 1 318 . 1 1 69 69 SER N N 15 116.147 0.041 . 1 . . . . 665 SER N . 25355 1 319 . 1 1 70 70 GLY C C 13 174.409 0.000 . 1 . . . . 666 GLY CO . 25355 1 320 . 1 1 70 70 GLY CA C 13 44.922 0.124 . 1 . . . . 666 GLY CA . 25355 1 321 . 1 1 71 71 TYR H H 1 6.886 0.007 . 1 . . . . 667 TYR HN . 25355 1 322 . 1 1 71 71 TYR C C 13 175.933 0.018 . 1 . . . . 667 TYR CO . 25355 1 323 . 1 1 71 71 TYR CA C 13 55.395 0.019 . 1 . . . . 667 TYR CA . 25355 1 324 . 1 1 71 71 TYR CB C 13 36.972 0.008 . 1 . . . . 667 TYR CB . 25355 1 325 . 1 1 71 71 TYR N N 15 117.516 0.051 . 1 . . . . 667 TYR N . 25355 1 326 . 1 1 72 72 THR H H 1 8.767 0.009 . 1 . . . . 668 THR HN . 25355 1 327 . 1 1 72 72 THR C C 13 176.080 0.004 . 1 . . . . 668 THR CO . 25355 1 328 . 1 1 72 72 THR CA C 13 59.541 0.051 . 1 . . . . 668 THR CA . 25355 1 329 . 1 1 72 72 THR CB C 13 70.922 0.000 . 1 . . . . 668 THR CB . 25355 1 330 . 1 1 72 72 THR N N 15 112.675 0.068 . 1 . . . . 668 THR N . 25355 1 331 . 1 1 73 73 GLU H H 1 8.991 0.005 . 1 . . . . 669 GLU HN . 25355 1 332 . 1 1 73 73 GLU C C 13 179.218 0.022 . 1 . . . . 669 GLU CO . 25355 1 333 . 1 1 73 73 GLU CA C 13 59.340 0.055 . 1 . . . . 669 GLU CA . 25355 1 334 . 1 1 73 73 GLU CB C 13 28.078 0.014 . 1 . . . . 669 GLU CB . 25355 1 335 . 1 1 73 73 GLU N N 15 122.655 0.064 . 1 . . . . 669 GLU N . 25355 1 336 . 1 1 74 74 LYS H H 1 8.247 0.006 . 1 . . . . 670 LYS HN . 25355 1 337 . 1 1 74 74 LYS C C 13 177.666 0.001 . 1 . . . . 670 LYS CO . 25355 1 338 . 1 1 74 74 LYS CA C 13 59.083 0.063 . 1 . . . . 670 LYS CA . 25355 1 339 . 1 1 74 74 LYS CB C 13 31.868 0.053 . 1 . . . . 670 LYS CB . 25355 1 340 . 1 1 74 74 LYS N N 15 120.960 0.047 . 1 . . . . 670 LYS N . 25355 1 341 . 1 1 75 75 GLN H H 1 7.642 0.003 . 1 . . . . 671 GLN HN . 25355 1 342 . 1 1 75 75 GLN C C 13 177.870 0.020 . 1 . . . . 671 GLN CO . 25355 1 343 . 1 1 75 75 GLN CA C 13 58.582 0.074 . 1 . . . . 671 GLN CA . 25355 1 344 . 1 1 75 75 GLN CB C 13 28.335 0.070 . 1 . . . . 671 GLN CB . 25355 1 345 . 1 1 75 75 GLN N N 15 117.984 0.071 . 1 . . . . 671 GLN N . 25355 1 346 . 1 1 76 76 ARG H H 1 8.020 0.008 . 1 . . . . 672 ARG HN . 25355 1 347 . 1 1 76 76 ARG C C 13 176.956 0.016 . 1 . . . . 672 ARG CO . 25355 1 348 . 1 1 76 76 ARG CA C 13 59.404 0.028 . 1 . . . . 672 ARG CA . 25355 1 349 . 1 1 76 76 ARG CB C 13 28.642 0.011 . 1 . . . . 672 ARG CB . 25355 1 350 . 1 1 76 76 ARG N N 15 118.398 0.044 . 1 . . . . 672 ARG N . 25355 1 351 . 1 1 77 77 ARG H H 1 7.881 0.006 . 1 . . . . 673 ARG HN . 25355 1 352 . 1 1 77 77 ARG C C 13 179.005 0.010 . 1 . . . . 673 ARG CO . 25355 1 353 . 1 1 77 77 ARG CA C 13 58.558 0.093 . 1 . . . . 673 ARG CA . 25355 1 354 . 1 1 77 77 ARG CB C 13 29.416 0.100 . 1 . . . . 673 ARG CB . 25355 1 355 . 1 1 77 77 ARG N N 15 118.882 0.099 . 1 . . . . 673 ARG N . 25355 1 356 . 1 1 78 78 ASP H H 1 8.687 0.008 . 1 . . . . 674 ASP HN . 25355 1 357 . 1 1 78 78 ASP C C 13 178.224 0.002 . 1 . . . . 674 ASP CO . 25355 1 358 . 1 1 78 78 ASP CA C 13 57.130 0.020 . 1 . . . . 674 ASP CA . 25355 1 359 . 1 1 78 78 ASP CB C 13 39.364 0.000 . 1 . . . . 674 ASP CB . 25355 1 360 . 1 1 78 78 ASP N N 15 121.910 0.026 . 1 . . . . 674 ASP N . 25355 1 361 . 1 1 79 79 PHE H H 1 8.172 0.004 . 1 . . . . 675 PHE HN . 25355 1 362 . 1 1 79 79 PHE C C 13 177.561 0.051 . 1 . . . . 675 PHE CO . 25355 1 363 . 1 1 79 79 PHE CA C 13 59.906 0.044 . 1 . . . . 675 PHE CA . 25355 1 364 . 1 1 79 79 PHE N N 15 121.609 0.041 . 1 . . . . 675 PHE N . 25355 1 365 . 1 1 80 80 LEU H H 1 8.012 0.009 . 1 . . . . 676 LEU HN . 25355 1 366 . 1 1 80 80 LEU C C 13 178.702 0.000 . 1 . . . . 676 LEU CO . 25355 1 367 . 1 1 80 80 LEU CA C 13 56.146 0.000 . 1 . . . . 676 LEU CA . 25355 1 368 . 1 1 80 80 LEU CB C 13 40.998 0.000 . 1 . . . . 676 LEU CB . 25355 1 369 . 1 1 80 80 LEU N N 15 116.220 0.071 . 1 . . . . 676 LEU N . 25355 1 370 . 1 1 81 81 ALA CA C 13 54.463 0.000 . 1 . . . . 677 ALA CA . 25355 1 371 . 1 1 81 81 ALA CB C 13 17.270 0.000 . 1 . . . . 677 ALA CB . 25355 1 372 . 1 1 82 82 GLU H H 1 6.765 0.012 . 1 . . . . 678 GLU HN . 25355 1 373 . 1 1 82 82 GLU C C 13 178.661 0.049 . 1 . . . . 678 GLU CO . 25355 1 374 . 1 1 82 82 GLU CA C 13 58.392 0.016 . 1 . . . . 678 GLU CA . 25355 1 375 . 1 1 82 82 GLU CB C 13 29.020 0.000 . 1 . . . . 678 GLU CB . 25355 1 376 . 1 1 82 82 GLU N N 15 114.514 0.064 . 1 . . . . 678 GLU N . 25355 1 377 . 1 1 83 83 ALA H H 1 7.133 0.007 . 1 . . . . 679 ALA HN . 25355 1 378 . 1 1 83 83 ALA C C 13 177.981 0.028 . 1 . . . . 679 ALA CO . 25355 1 379 . 1 1 83 83 ALA CA C 13 54.023 0.022 . 1 . . . . 679 ALA CA . 25355 1 380 . 1 1 83 83 ALA CB C 13 18.281 0.071 . 1 . . . . 679 ALA CB . 25355 1 381 . 1 1 83 83 ALA N N 15 119.813 0.083 . 1 . . . . 679 ALA N . 25355 1 382 . 1 1 84 84 ALA H H 1 7.064 0.008 . 1 . . . . 680 ALA HN . 25355 1 383 . 1 1 84 84 ALA C C 13 176.922 0.000 . 1 . . . . 680 ALA CO . 25355 1 384 . 1 1 84 84 ALA CA C 13 53.767 0.056 . 1 . . . . 680 ALA CA . 25355 1 385 . 1 1 84 84 ALA CB C 13 17.639 0.047 . 1 . . . . 680 ALA CB . 25355 1 386 . 1 1 84 84 ALA N N 15 118.246 0.047 . 1 . . . . 680 ALA N . 25355 1 387 . 1 1 85 85 ILE H H 1 7.001 0.008 . 1 . . . . 681 ILE HN . 25355 1 388 . 1 1 85 85 ILE CA C 13 64.479 0.000 . 1 . . . . 681 ILE CA . 25355 1 389 . 1 1 85 85 ILE CB C 13 37.970 0.000 . 1 . . . . 681 ILE CB . 25355 1 390 . 1 1 85 85 ILE N N 15 115.318 0.078 . 1 . . . . 681 ILE N . 25355 1 391 . 1 1 86 86 MET C C 13 179.183 0.000 . 1 . . . . 682 MET CO . 25355 1 392 . 1 1 86 86 MET CA C 13 58.515 0.000 . 1 . . . . 682 MET CA . 25355 1 393 . 1 1 86 86 MET CB C 13 34.379 0.000 . 1 . . . . 682 MET CB . 25355 1 394 . 1 1 87 87 GLY H H 1 8.123 0.004 . 1 . . . . 683 GLY HN . 25355 1 395 . 1 1 87 87 GLY C C 13 174.346 0.000 . 1 . . . . 683 GLY CO . 25355 1 396 . 1 1 87 87 GLY CA C 13 45.741 0.052 . 1 . . . . 683 GLY CA . 25355 1 397 . 1 1 87 87 GLY N N 15 103.931 0.038 . 1 . . . . 683 GLY N . 25355 1 398 . 1 1 88 88 GLN H H 1 6.983 0.005 . 1 . . . . 684 GLN HN . 25355 1 399 . 1 1 88 88 GLN C C 13 175.745 0.010 . 1 . . . . 684 GLN CO . 25355 1 400 . 1 1 88 88 GLN CA C 13 56.277 0.038 . 1 . . . . 684 GLN CA . 25355 1 401 . 1 1 88 88 GLN CB C 13 27.983 0.028 . 1 . . . . 684 GLN CB . 25355 1 402 . 1 1 88 88 GLN N N 15 118.410 0.034 . 1 . . . . 684 GLN N . 25355 1 403 . 1 1 89 89 PHE H H 1 7.022 0.004 . 1 . . . . 685 PHE HN . 25355 1 404 . 1 1 89 89 PHE C C 13 175.002 0.030 . 1 . . . . 685 PHE CO . 25355 1 405 . 1 1 89 89 PHE CA C 13 53.231 0.030 . 1 . . . . 685 PHE CA . 25355 1 406 . 1 1 89 89 PHE CB C 13 39.819 0.012 . 1 . . . . 685 PHE CB . 25355 1 407 . 1 1 89 89 PHE N N 15 118.061 0.045 . 1 . . . . 685 PHE N . 25355 1 408 . 1 1 90 90 ASP H H 1 8.311 0.005 . 1 . . . . 686 ASP HN . 25355 1 409 . 1 1 90 90 ASP C C 13 172.620 0.000 . 1 . . . . 686 ASP CO . 25355 1 410 . 1 1 90 90 ASP CA C 13 52.907 0.021 . 1 . . . . 686 ASP CA . 25355 1 411 . 1 1 90 90 ASP CB C 13 41.100 0.012 . 1 . . . . 686 ASP CB . 25355 1 412 . 1 1 90 90 ASP N N 15 120.304 0.029 . 1 . . . . 686 ASP N . 25355 1 413 . 1 1 91 91 HIS H H 1 8.412 0.005 . 1 . . . . 687 HIS HN . 25355 1 414 . 1 1 91 91 HIS C C 13 174.205 0.000 . 1 . . . . 687 HIS CO . 25355 1 415 . 1 1 91 91 HIS CA C 13 55.639 0.000 . 1 . . . . 687 HIS CA . 25355 1 416 . 1 1 91 91 HIS CB C 13 33.197 0.000 . 1 . . . . 687 HIS CB . 25355 1 417 . 1 1 91 91 HIS N N 15 125.968 0.027 . 1 . . . . 687 HIS N . 25355 1 418 . 1 1 92 92 PRO C C 13 176.631 0.000 . 1 . . . . 688 PRO CO . 25355 1 419 . 1 1 92 92 PRO CA C 13 64.065 0.000 . 1 . . . . 688 PRO CA . 25355 1 420 . 1 1 92 92 PRO CB C 13 31.559 0.000 . 1 . . . . 688 PRO CB . 25355 1 421 . 1 1 93 93 ASN H H 1 10.925 0.004 . 1 . . . . 689 ASN HN . 25355 1 422 . 1 1 93 93 ASN C C 13 173.770 0.043 . 1 . . . . 689 ASN CO . 25355 1 423 . 1 1 93 93 ASN CA C 13 53.392 0.021 . 1 . . . . 689 ASN CA . 25355 1 424 . 1 1 93 93 ASN CB C 13 40.377 0.029 . 1 . . . . 689 ASN CB . 25355 1 425 . 1 1 93 93 ASN N N 15 116.951 0.013 . 1 . . . . 689 ASN N . 25355 1 426 . 1 1 94 94 VAL H H 1 7.827 0.005 . 1 . . . . 690 VAL HN . 25355 1 427 . 1 1 94 94 VAL C C 13 175.380 0.011 . 1 . . . . 690 VAL CO . 25355 1 428 . 1 1 94 94 VAL CA C 13 62.000 0.019 . 1 . . . . 690 VAL CA . 25355 1 429 . 1 1 94 94 VAL CB C 13 33.975 0.012 . 1 . . . . 690 VAL CB . 25355 1 430 . 1 1 94 94 VAL N N 15 121.393 0.055 . 1 . . . . 690 VAL N . 25355 1 431 . 1 1 95 95 ILE H H 1 8.037 0.005 . 1 . . . . 691 ILE HN . 25355 1 432 . 1 1 95 95 ILE C C 13 172.920 0.036 . 1 . . . . 691 ILE CO . 25355 1 433 . 1 1 95 95 ILE CA C 13 60.218 0.003 . 1 . . . . 691 ILE CA . 25355 1 434 . 1 1 95 95 ILE CB C 13 37.805 0.016 . 1 . . . . 691 ILE CB . 25355 1 435 . 1 1 95 95 ILE N N 15 129.752 0.065 . 1 . . . . 691 ILE N . 25355 1 436 . 1 1 96 96 HIS H H 1 9.552 0.006 . 1 . . . . 692 HIS HN . 25355 1 437 . 1 1 96 96 HIS C C 13 173.796 0.004 . 1 . . . . 692 HIS CO . 25355 1 438 . 1 1 96 96 HIS CA C 13 55.522 0.077 . 1 . . . . 692 HIS CA . 25355 1 439 . 1 1 96 96 HIS CB C 13 29.419 0.040 . 1 . . . . 692 HIS CB . 25355 1 440 . 1 1 96 96 HIS N N 15 125.137 0.061 . 1 . . . . 692 HIS N . 25355 1 441 . 1 1 97 97 LEU H H 1 8.158 0.003 . 1 . . . . 693 LEU HN . 25355 1 442 . 1 1 97 97 LEU C C 13 175.889 0.042 . 1 . . . . 693 LEU CO . 25355 1 443 . 1 1 97 97 LEU CA C 13 54.014 0.094 . 1 . . . . 693 LEU CA . 25355 1 444 . 1 1 97 97 LEU CB C 13 42.120 0.060 . 1 . . . . 693 LEU CB . 25355 1 445 . 1 1 97 97 LEU N N 15 129.430 0.077 . 1 . . . . 693 LEU N . 25355 1 446 . 1 1 98 98 GLU H H 1 8.864 0.008 . 1 . . . . 694 GLU HN . 25355 1 447 . 1 1 98 98 GLU C C 13 177.993 0.010 . 1 . . . . 694 GLU CO . 25355 1 448 . 1 1 98 98 GLU CA C 13 56.232 0.013 . 1 . . . . 694 GLU CA . 25355 1 449 . 1 1 98 98 GLU CB C 13 28.145 0.026 . 1 . . . . 694 GLU CB . 25355 1 450 . 1 1 98 98 GLU N N 15 125.562 0.041 . 1 . . . . 694 GLU N . 25355 1 451 . 1 1 99 99 GLY H H 1 7.664 0.008 . 1 . . . . 695 GLY HN . 25355 1 452 . 1 1 99 99 GLY C C 13 170.011 0.004 . 1 . . . . 695 GLY CO . 25355 1 453 . 1 1 99 99 GLY CA C 13 45.123 0.064 . 1 . . . . 695 GLY CA . 25355 1 454 . 1 1 99 99 GLY N N 15 105.356 0.064 . 1 . . . . 695 GLY N . 25355 1 455 . 1 1 100 100 VAL H H 1 8.872 0.004 . 1 . . . . 696 VAL HN . 25355 1 456 . 1 1 100 100 VAL C C 13 173.541 0.001 . 1 . . . . 696 VAL CO . 25355 1 457 . 1 1 100 100 VAL CA C 13 57.337 0.082 . 1 . . . . 696 VAL CA . 25355 1 458 . 1 1 100 100 VAL CB C 13 35.203 0.036 . 1 . . . . 696 VAL CB . 25355 1 459 . 1 1 100 100 VAL N N 15 111.655 0.035 . 1 . . . . 696 VAL N . 25355 1 460 . 1 1 101 101 VAL H H 1 8.420 0.007 . 1 . . . . 697 VAL HN . 25355 1 461 . 1 1 101 101 VAL C C 13 175.959 0.000 . 1 . . . . 697 VAL CO . 25355 1 462 . 1 1 101 101 VAL CA C 13 61.580 0.000 . 1 . . . . 697 VAL CA . 25355 1 463 . 1 1 101 101 VAL CB C 13 32.915 0.000 . 1 . . . . 697 VAL CB . 25355 1 464 . 1 1 101 101 VAL N N 15 121.577 0.041 . 1 . . . . 697 VAL N . 25355 1 465 . 1 1 102 102 THR C C 13 176.874 0.000 . 1 . . . . 698 THR CO . 25355 1 466 . 1 1 102 102 THR CA C 13 61.417 0.000 . 1 . . . . 698 THR CA . 25355 1 467 . 1 1 102 102 THR CB C 13 70.399 0.000 . 1 . . . . 698 THR CB . 25355 1 468 . 1 1 103 103 LYS H H 1 7.474 0.011 . 1 . . . . 699 LYS HN . 25355 1 469 . 1 1 103 103 LYS C C 13 175.480 0.001 . 1 . . . . 699 LYS CO . 25355 1 470 . 1 1 103 103 LYS CA C 13 56.486 0.023 . 1 . . . . 699 LYS CA . 25355 1 471 . 1 1 103 103 LYS CB C 13 32.136 0.016 . 1 . . . . 699 LYS CB . 25355 1 472 . 1 1 103 103 LYS N N 15 122.544 0.063 . 1 . . . . 699 LYS N . 25355 1 473 . 1 1 104 104 SER H H 1 7.099 0.004 . 1 . . . . 700 SER HN . 25355 1 474 . 1 1 104 104 SER C C 13 171.313 0.014 . 1 . . . . 700 SER CO . 25355 1 475 . 1 1 104 104 SER CA C 13 56.039 0.047 . 1 . . . . 700 SER CA . 25355 1 476 . 1 1 104 104 SER CB C 13 64.299 0.003 . 1 . . . . 700 SER CB . 25355 1 477 . 1 1 104 104 SER N N 15 113.013 0.066 . 1 . . . . 700 SER N . 25355 1 478 . 1 1 105 105 THR H H 1 7.792 0.004 . 1 . . . . 701 THR HN . 25355 1 479 . 1 1 105 105 THR C C 13 172.602 0.000 . 1 . . . . 701 THR CO . 25355 1 480 . 1 1 105 105 THR CA C 13 57.870 0.000 . 1 . . . . 701 THR CA . 25355 1 481 . 1 1 105 105 THR CB C 13 70.018 0.000 . 1 . . . . 701 THR CB . 25355 1 482 . 1 1 105 105 THR N N 15 111.983 0.040 . 1 . . . . 701 THR N . 25355 1 483 . 1 1 106 106 PRO C C 13 174.382 0.000 . 1 . . . . 702 PRO CO . 25355 1 484 . 1 1 106 106 PRO CA C 13 62.019 0.000 . 1 . . . . 702 PRO CA . 25355 1 485 . 1 1 106 106 PRO CB C 13 33.512 0.000 . 1 . . . . 702 PRO CB . 25355 1 486 . 1 1 107 107 VAL H H 1 8.159 0.016 . 1 . . . . 703 VAL HN . 25355 1 487 . 1 1 107 107 VAL C C 13 176.896 0.027 . 1 . . . . 703 VAL CO . 25355 1 488 . 1 1 107 107 VAL CA C 13 61.695 0.011 . 1 . . . . 703 VAL CA . 25355 1 489 . 1 1 107 107 VAL CB C 13 30.815 0.052 . 1 . . . . 703 VAL CB . 25355 1 490 . 1 1 107 107 VAL N N 15 122.163 0.036 . 1 . . . . 703 VAL N . 25355 1 491 . 1 1 108 108 MET H H 1 8.627 0.005 . 1 . . . . 704 MET HN . 25355 1 492 . 1 1 108 108 MET C C 13 175.556 0.014 . 1 . . . . 704 MET CO . 25355 1 493 . 1 1 108 108 MET CA C 13 54.490 0.047 . 1 . . . . 704 MET CA . 25355 1 494 . 1 1 108 108 MET CB C 13 38.304 0.001 . 1 . . . . 704 MET CB . 25355 1 495 . 1 1 108 108 MET N N 15 120.793 0.040 . 1 . . . . 704 MET N . 25355 1 496 . 1 1 109 109 ILE H H 1 8.722 0.007 . 1 . . . . 705 ILE HN . 25355 1 497 . 1 1 109 109 ILE C C 13 174.512 0.004 . 1 . . . . 705 ILE CO . 25355 1 498 . 1 1 109 109 ILE CA C 13 61.492 0.099 . 1 . . . . 705 ILE CA . 25355 1 499 . 1 1 109 109 ILE CB C 13 40.724 0.041 . 1 . . . . 705 ILE CB . 25355 1 500 . 1 1 109 109 ILE N N 15 119.442 0.083 . 1 . . . . 705 ILE N . 25355 1 501 . 1 1 110 110 ILE H H 1 8.768 0.005 . 1 . . . . 706 ILE HN . 25355 1 502 . 1 1 110 110 ILE C C 13 175.492 0.005 . 1 . . . . 706 ILE CO . 25355 1 503 . 1 1 110 110 ILE CA C 13 60.061 0.082 . 1 . . . . 706 ILE CA . 25355 1 504 . 1 1 110 110 ILE CB C 13 37.639 0.115 . 1 . . . . 706 ILE CB . 25355 1 505 . 1 1 110 110 ILE N N 15 128.377 0.051 . 1 . . . . 706 ILE N . 25355 1 506 . 1 1 111 111 THR H H 1 9.453 0.004 . 1 . . . . 707 THR HN . 25355 1 507 . 1 1 111 111 THR C C 13 173.189 0.068 . 1 . . . . 707 THR CO . 25355 1 508 . 1 1 111 111 THR CA C 13 59.371 0.016 . 1 . . . . 707 THR CA . 25355 1 509 . 1 1 111 111 THR CB C 13 72.736 0.009 . 1 . . . . 707 THR CB . 25355 1 510 . 1 1 111 111 THR N N 15 119.660 0.047 . 1 . . . . 707 THR N . 25355 1 511 . 1 1 112 112 GLU H H 1 8.010 0.005 . 1 . . . . 708 GLU HN . 25355 1 512 . 1 1 112 112 GLU C C 13 174.591 0.031 . 1 . . . . 708 GLU CO . 25355 1 513 . 1 1 112 112 GLU CA C 13 55.743 0.028 . 1 . . . . 708 GLU CA . 25355 1 514 . 1 1 112 112 GLU CB C 13 29.849 0.046 . 1 . . . . 708 GLU CB . 25355 1 515 . 1 1 112 112 GLU N N 15 118.224 0.030 . 1 . . . . 708 GLU N . 25355 1 516 . 1 1 113 113 PHE H H 1 8.772 0.009 . 1 . . . . 709 PHE HN . 25355 1 517 . 1 1 113 113 PHE C C 13 174.755 0.016 . 1 . . . . 709 PHE CO . 25355 1 518 . 1 1 113 113 PHE CA C 13 57.360 0.009 . 1 . . . . 709 PHE CA . 25355 1 519 . 1 1 113 113 PHE CB C 13 39.855 0.002 . 1 . . . . 709 PHE CB . 25355 1 520 . 1 1 113 113 PHE N N 15 124.623 0.028 . 1 . . . . 709 PHE N . 25355 1 521 . 1 1 114 114 MET H H 1 7.889 0.008 . 1 . . . . 710 MET HN . 25355 1 522 . 1 1 114 114 MET C C 13 176.082 0.004 . 1 . . . . 710 MET CO . 25355 1 523 . 1 1 114 114 MET CA C 13 52.042 0.128 . 1 . . . . 710 MET CA . 25355 1 524 . 1 1 114 114 MET CB C 13 29.022 0.010 . 1 . . . . 710 MET CB . 25355 1 525 . 1 1 114 114 MET N N 15 127.603 0.034 . 1 . . . . 710 MET N . 25355 1 526 . 1 1 115 115 GLU H H 1 9.469 0.004 . 1 . . . . 711 GLU HN . 25355 1 527 . 1 1 115 115 GLU C C 13 176.702 0.024 . 1 . . . . 711 GLU CO . 25355 1 528 . 1 1 115 115 GLU CA C 13 60.157 0.089 . 1 . . . . 711 GLU CA . 25355 1 529 . 1 1 115 115 GLU CB C 13 29.504 0.026 . 1 . . . . 711 GLU CB . 25355 1 530 . 1 1 115 115 GLU N N 15 124.251 0.055 . 1 . . . . 711 GLU N . 25355 1 531 . 1 1 116 116 ASN H H 1 7.683 0.003 . 1 . . . . 712 ASN HN . 25355 1 532 . 1 1 116 116 ASN C C 13 174.175 0.041 . 1 . . . . 712 ASN CO . 25355 1 533 . 1 1 116 116 ASN CA C 13 52.438 0.038 . 1 . . . . 712 ASN CA . 25355 1 534 . 1 1 116 116 ASN CB C 13 39.212 0.010 . 1 . . . . 712 ASN CB . 25355 1 535 . 1 1 116 116 ASN N N 15 112.247 0.059 . 1 . . . . 712 ASN N . 25355 1 536 . 1 1 117 117 GLY H H 1 7.019 0.007 . 1 . . . . 713 GLY HN . 25355 1 537 . 1 1 117 117 GLY C C 13 172.385 0.008 . 1 . . . . 713 GLY CO . 25355 1 538 . 1 1 117 117 GLY CA C 13 45.514 0.054 . 1 . . . . 713 GLY CA . 25355 1 539 . 1 1 117 117 GLY N N 15 105.469 0.058 . 1 . . . . 713 GLY N . 25355 1 540 . 1 1 118 118 SER H H 1 8.175 0.005 . 1 . . . . 714 SER HN . 25355 1 541 . 1 1 118 118 SER C C 13 175.640 0.018 . 1 . . . . 714 SER CO . 25355 1 542 . 1 1 118 118 SER CA C 13 58.893 0.001 . 1 . . . . 714 SER CA . 25355 1 543 . 1 1 118 118 SER CB C 13 64.322 0.009 . 1 . . . . 714 SER CB . 25355 1 544 . 1 1 118 118 SER N N 15 117.204 0.032 . 1 . . . . 714 SER N . 25355 1 545 . 1 1 119 119 LEU H H 1 9.059 0.008 . 1 . . . . 715 LEU HN . 25355 1 546 . 1 1 119 119 LEU C C 13 177.439 0.037 . 1 . . . . 715 LEU CO . 25355 1 547 . 1 1 119 119 LEU CA C 13 57.618 0.028 . 1 . . . . 715 LEU CA . 25355 1 548 . 1 1 119 119 LEU CB C 13 40.971 0.042 . 1 . . . . 715 LEU CB . 25355 1 549 . 1 1 119 119 LEU N N 15 123.845 0.075 . 1 . . . . 715 LEU N . 25355 1 550 . 1 1 120 120 ASP H H 1 8.022 0.007 . 1 . . . . 716 ASP HN . 25355 1 551 . 1 1 120 120 ASP C C 13 177.004 0.008 . 1 . . . . 716 ASP CO . 25355 1 552 . 1 1 120 120 ASP CA C 13 57.078 0.115 . 1 . . . . 716 ASP CA . 25355 1 553 . 1 1 120 120 ASP CB C 13 37.695 0.000 . 1 . . . . 716 ASP CB . 25355 1 554 . 1 1 120 120 ASP N N 15 115.481 0.052 . 1 . . . . 716 ASP N . 25355 1 555 . 1 1 121 121 SER H H 1 7.560 0.013 . 1 . . . . 717 SER HN . 25355 1 556 . 1 1 121 121 SER C C 13 176.869 0.011 . 1 . . . . 717 SER CO . 25355 1 557 . 1 1 121 121 SER CA C 13 60.439 0.018 . 1 . . . . 717 SER CA . 25355 1 558 . 1 1 121 121 SER CB C 13 62.191 0.000 . 1 . . . . 717 SER CB . 25355 1 559 . 1 1 121 121 SER N N 15 116.466 0.067 . 1 . . . . 717 SER N . 25355 1 560 . 1 1 122 122 PHE H H 1 8.536 0.004 . 1 . . . . 718 PHE HN . 25355 1 561 . 1 1 122 122 PHE C C 13 178.683 0.019 . 1 . . . . 718 PHE CO . 25355 1 562 . 1 1 122 122 PHE CA C 13 60.520 0.080 . 1 . . . . 718 PHE CA . 25355 1 563 . 1 1 122 122 PHE CB C 13 38.837 0.032 . 1 . . . . 718 PHE CB . 25355 1 564 . 1 1 122 122 PHE N N 15 124.638 0.060 . 1 . . . . 718 PHE N . 25355 1 565 . 1 1 123 123 LEU H H 1 8.452 0.009 . 1 . . . . 719 LEU HN . 25355 1 566 . 1 1 123 123 LEU C C 13 179.152 0.019 . 1 . . . . 719 LEU CO . 25355 1 567 . 1 1 123 123 LEU CA C 13 57.730 0.008 . 1 . . . . 719 LEU CA . 25355 1 568 . 1 1 123 123 LEU CB C 13 40.281 0.074 . 1 . . . . 719 LEU CB . 25355 1 569 . 1 1 123 123 LEU N N 15 119.617 0.082 . 1 . . . . 719 LEU N . 25355 1 570 . 1 1 124 124 ARG H H 1 7.674 0.004 . 1 . . . . 720 ARG HN . 25355 1 571 . 1 1 124 124 ARG C C 13 180.038 0.004 . 1 . . . . 720 ARG CO . 25355 1 572 . 1 1 124 124 ARG CA C 13 59.322 0.035 . 1 . . . . 720 ARG CA . 25355 1 573 . 1 1 124 124 ARG CB C 13 30.130 0.076 . 1 . . . . 720 ARG CB . 25355 1 574 . 1 1 124 124 ARG N N 15 118.005 0.043 . 1 . . . . 720 ARG N . 25355 1 575 . 1 1 125 125 GLN H H 1 7.525 0.006 . 1 . . . . 721 GLN HN . 25355 1 576 . 1 1 125 125 GLN C C 13 175.595 0.008 . 1 . . . . 721 GLN CO . 25355 1 577 . 1 1 125 125 GLN CA C 13 56.344 0.111 . 1 . . . . 721 GLN CA . 25355 1 578 . 1 1 125 125 GLN CB C 13 28.484 0.017 . 1 . . . . 721 GLN CB . 25355 1 579 . 1 1 125 125 GLN N N 15 116.306 0.030 . 1 . . . . 721 GLN N . 25355 1 580 . 1 1 126 126 ASN H H 1 7.343 0.006 . 1 . . . . 722 ASN HN . 25355 1 581 . 1 1 126 126 ASN C C 13 173.200 0.007 . 1 . . . . 722 ASN CO . 25355 1 582 . 1 1 126 126 ASN CA C 13 52.312 0.119 . 1 . . . . 722 ASN CA . 25355 1 583 . 1 1 126 126 ASN CB C 13 40.457 0.032 . 1 . . . . 722 ASN CB . 25355 1 584 . 1 1 126 126 ASN N N 15 120.261 0.038 . 1 . . . . 722 ASN N . 25355 1 585 . 1 1 127 127 ASP H H 1 6.847 0.005 . 1 . . . . 723 ASP HN . 25355 1 586 . 1 1 127 127 ASP C C 13 177.895 0.000 . 1 . . . . 723 ASP CO . 25355 1 587 . 1 1 127 127 ASP CA C 13 55.911 0.000 . 1 . . . . 723 ASP CA . 25355 1 588 . 1 1 127 127 ASP CB C 13 40.699 0.000 . 1 . . . . 723 ASP CB . 25355 1 589 . 1 1 127 127 ASP N N 15 119.338 0.075 . 1 . . . . 723 ASP N . 25355 1 590 . 1 1 128 128 GLY C C 13 175.711 0.000 . 1 . . . . 724 GLY CO . 25355 1 591 . 1 1 128 128 GLY CA C 13 46.089 0.002 . 1 . . . . 724 GLY CA . 25355 1 592 . 1 1 129 129 GLN H H 1 7.575 0.004 . 1 . . . . 725 GLN HN . 25355 1 593 . 1 1 129 129 GLN C C 13 175.479 0.024 . 1 . . . . 725 GLN CO . 25355 1 594 . 1 1 129 129 GLN CA C 13 55.830 0.045 . 1 . . . . 725 GLN CA . 25355 1 595 . 1 1 129 129 GLN CB C 13 28.218 0.058 . 1 . . . . 725 GLN CB . 25355 1 596 . 1 1 129 129 GLN N N 15 115.528 0.042 . 1 . . . . 725 GLN N . 25355 1 597 . 1 1 130 130 PHE H H 1 7.863 0.005 . 1 . . . . 726 PHE HN . 25355 1 598 . 1 1 130 130 PHE C C 13 175.749 0.001 . 1 . . . . 726 PHE CO . 25355 1 599 . 1 1 130 130 PHE CA C 13 55.572 0.046 . 1 . . . . 726 PHE CA . 25355 1 600 . 1 1 130 130 PHE CB C 13 40.105 0.008 . 1 . . . . 726 PHE CB . 25355 1 601 . 1 1 130 130 PHE N N 15 117.873 0.049 . 1 . . . . 726 PHE N . 25355 1 602 . 1 1 131 131 THR H H 1 8.973 0.005 . 1 . . . . 727 THR HN . 25355 1 603 . 1 1 131 131 THR C C 13 176.082 0.002 . 1 . . . . 727 THR CO . 25355 1 604 . 1 1 131 131 THR CA C 13 59.721 0.023 . 1 . . . . 727 THR CA . 25355 1 605 . 1 1 131 131 THR CB C 13 70.671 0.004 . 1 . . . . 727 THR CB . 25355 1 606 . 1 1 131 131 THR N N 15 112.450 0.039 . 1 . . . . 727 THR N . 25355 1 607 . 1 1 132 132 VAL H H 1 8.764 0.005 . 1 . . . . 728 VAL HN . 25355 1 608 . 1 1 132 132 VAL C C 13 177.499 0.005 . 1 . . . . 728 VAL CO . 25355 1 609 . 1 1 132 132 VAL CA C 13 66.103 0.081 . 1 . . . . 728 VAL CA . 25355 1 610 . 1 1 132 132 VAL CB C 13 30.477 0.060 . 1 . . . . 728 VAL CB . 25355 1 611 . 1 1 132 132 VAL N N 15 121.155 0.066 . 1 . . . . 728 VAL N . 25355 1 612 . 1 1 133 133 ILE H H 1 7.733 0.005 . 1 . . . . 729 ILE HN . 25355 1 613 . 1 1 133 133 ILE C C 13 179.124 0.014 . 1 . . . . 729 ILE CO . 25355 1 614 . 1 1 133 133 ILE CA C 13 62.529 0.069 . 1 . . . . 729 ILE CA . 25355 1 615 . 1 1 133 133 ILE CB C 13 36.444 0.161 . 1 . . . . 729 ILE CB . 25355 1 616 . 1 1 133 133 ILE N N 15 118.490 0.050 . 1 . . . . 729 ILE N . 25355 1 617 . 1 1 134 134 GLN H H 1 7.782 0.005 . 1 . . . . 730 GLN HN . 25355 1 618 . 1 1 134 134 GLN C C 13 179.635 0.002 . 1 . . . . 730 GLN CO . 25355 1 619 . 1 1 134 134 GLN CA C 13 58.980 0.004 . 1 . . . . 730 GLN CA . 25355 1 620 . 1 1 134 134 GLN CB C 13 28.941 0.042 . 1 . . . . 730 GLN CB . 25355 1 621 . 1 1 134 134 GLN N N 15 123.385 0.064 . 1 . . . . 730 GLN N . 25355 1 622 . 1 1 135 135 LEU H H 1 8.003 0.007 . 1 . . . . 731 LEU HN . 25355 1 623 . 1 1 135 135 LEU C C 13 179.673 0.012 . 1 . . . . 731 LEU CO . 25355 1 624 . 1 1 135 135 LEU CA C 13 57.950 0.021 . 1 . . . . 731 LEU CA . 25355 1 625 . 1 1 135 135 LEU CB C 13 39.913 0.016 . 1 . . . . 731 LEU CB . 25355 1 626 . 1 1 135 135 LEU N N 15 121.851 0.036 . 1 . . . . 731 LEU N . 25355 1 627 . 1 1 136 136 VAL H H 1 8.727 0.004 . 1 . . . . 732 VAL HN . 25355 1 628 . 1 1 136 136 VAL C C 13 178.124 0.021 . 1 . . . . 732 VAL CO . 25355 1 629 . 1 1 136 136 VAL CA C 13 66.519 0.023 . 1 . . . . 732 VAL CA . 25355 1 630 . 1 1 136 136 VAL CB C 13 30.115 0.041 . 1 . . . . 732 VAL CB . 25355 1 631 . 1 1 136 136 VAL N N 15 119.654 0.040 . 1 . . . . 732 VAL N . 25355 1 632 . 1 1 137 137 GLY H H 1 8.182 0.008 . 1 . . . . 733 GLY HN . 25355 1 633 . 1 1 137 137 GLY C C 13 177.319 0.020 . 1 . . . . 733 GLY CO . 25355 1 634 . 1 1 137 137 GLY CA C 13 47.033 0.062 . 1 . . . . 733 GLY CA . 25355 1 635 . 1 1 137 137 GLY N N 15 108.808 0.039 . 1 . . . . 733 GLY N . 25355 1 636 . 1 1 138 138 MET H H 1 7.622 0.006 . 1 . . . . 734 MET HN . 25355 1 637 . 1 1 138 138 MET C C 13 178.574 0.008 . 1 . . . . 734 MET CO . 25355 1 638 . 1 1 138 138 MET CA C 13 59.704 0.017 . 1 . . . . 734 MET CA . 25355 1 639 . 1 1 138 138 MET CB C 13 31.786 0.000 . 1 . . . . 734 MET CB . 25355 1 640 . 1 1 138 138 MET N N 15 124.039 0.024 . 1 . . . . 734 MET N . 25355 1 641 . 1 1 139 139 LEU H H 1 7.901 0.006 . 1 . . . . 735 LEU HN . 25355 1 642 . 1 1 139 139 LEU C C 13 180.680 0.043 . 1 . . . . 735 LEU CO . 25355 1 643 . 1 1 139 139 LEU CA C 13 57.212 0.002 . 1 . . . . 735 LEU CA . 25355 1 644 . 1 1 139 139 LEU CB C 13 39.806 0.099 . 1 . . . . 735 LEU CB . 25355 1 645 . 1 1 139 139 LEU N N 15 117.907 0.038 . 1 . . . . 735 LEU N . 25355 1 646 . 1 1 140 140 ARG H H 1 9.275 0.006 . 1 . . . . 736 ARG HN . 25355 1 647 . 1 1 140 140 ARG C C 13 178.326 0.012 . 1 . . . . 736 ARG CO . 25355 1 648 . 1 1 140 140 ARG CA C 13 60.149 0.031 . 1 . . . . 736 ARG CA . 25355 1 649 . 1 1 140 140 ARG CB C 13 28.815 0.000 . 1 . . . . 736 ARG CB . 25355 1 650 . 1 1 140 140 ARG N N 15 126.511 0.081 . 1 . . . . 736 ARG N . 25355 1 651 . 1 1 141 141 GLY H H 1 7.791 0.006 . 1 . . . . 737 GLY HN . 25355 1 652 . 1 1 141 141 GLY C C 13 175.279 0.003 . 1 . . . . 737 GLY CO . 25355 1 653 . 1 1 141 141 GLY CA C 13 46.505 0.589 . 1 . . . . 737 GLY CA . 25355 1 654 . 1 1 141 141 GLY N N 15 108.927 0.008 . 1 . . . . 737 GLY N . 25355 1 655 . 1 1 142 142 ILE H H 1 7.702 0.050 . 1 . . . . 738 ILE HN . 25355 1 656 . 1 1 142 142 ILE C C 13 177.394 0.018 . 1 . . . . 738 ILE CO . 25355 1 657 . 1 1 142 142 ILE CA C 13 65.322 0.052 . 1 . . . . 738 ILE CA . 25355 1 658 . 1 1 142 142 ILE CB C 13 38.401 0.015 . 1 . . . . 738 ILE CB . 25355 1 659 . 1 1 142 142 ILE N N 15 119.547 0.087 . 1 . . . . 738 ILE N . 25355 1 660 . 1 1 143 143 ALA H H 1 8.018 0.003 . 1 . . . . 739 ALA HN . 25355 1 661 . 1 1 143 143 ALA C C 13 177.774 0.045 . 1 . . . . 739 ALA CO . 25355 1 662 . 1 1 143 143 ALA CA C 13 54.642 0.001 . 1 . . . . 739 ALA CA . 25355 1 663 . 1 1 143 143 ALA CB C 13 16.863 0.132 . 1 . . . . 739 ALA CB . 25355 1 664 . 1 1 143 143 ALA N N 15 120.415 0.026 . 1 . . . . 739 ALA N . 25355 1 665 . 1 1 144 144 ALA H H 1 8.501 0.006 . 1 . . . . 740 ALA HN . 25355 1 666 . 1 1 144 144 ALA C C 13 181.255 0.031 . 1 . . . . 740 ALA CO . 25355 1 667 . 1 1 144 144 ALA CA C 13 54.694 0.014 . 1 . . . . 740 ALA CA . 25355 1 668 . 1 1 144 144 ALA CB C 13 17.012 0.000 . 1 . . . . 740 ALA CB . 25355 1 669 . 1 1 144 144 ALA N N 15 121.779 0.053 . 1 . . . . 740 ALA N . 25355 1 670 . 1 1 145 145 GLY H H 1 8.233 0.006 . 1 . . . . 741 GLY HN . 25355 1 671 . 1 1 145 145 GLY C C 13 174.359 0.021 . 1 . . . . 741 GLY CO . 25355 1 672 . 1 1 145 145 GLY CA C 13 46.648 0.027 . 1 . . . . 741 GLY CA . 25355 1 673 . 1 1 145 145 GLY N N 15 108.450 0.021 . 1 . . . . 741 GLY N . 25355 1 674 . 1 1 146 146 MET H H 1 7.749 0.006 . 1 . . . . 742 MET HN . 25355 1 675 . 1 1 146 146 MET C C 13 177.815 0.048 . 1 . . . . 742 MET CO . 25355 1 676 . 1 1 146 146 MET CA C 13 54.606 0.024 . 1 . . . . 742 MET CA . 25355 1 677 . 1 1 146 146 MET CB C 13 25.468 0.109 . 1 . . . . 742 MET CB . 25355 1 678 . 1 1 146 146 MET N N 15 118.247 0.080 . 1 . . . . 742 MET N . 25355 1 679 . 1 1 147 147 LYS H H 1 8.483 0.005 . 1 . . . . 743 LYS HN . 25355 1 680 . 1 1 147 147 LYS C C 13 177.653 0.014 . 1 . . . . 743 LYS CO . 25355 1 681 . 1 1 147 147 LYS CA C 13 59.272 0.089 . 1 . . . . 743 LYS CA . 25355 1 682 . 1 1 147 147 LYS CB C 13 31.576 0.004 . 1 . . . . 743 LYS CB . 25355 1 683 . 1 1 147 147 LYS N N 15 121.808 0.036 . 1 . . . . 743 LYS N . 25355 1 684 . 1 1 148 148 TYR H H 1 7.046 0.007 . 1 . . . . 744 TYR HN . 25355 1 685 . 1 1 148 148 TYR C C 13 177.121 0.036 . 1 . . . . 744 TYR CO . 25355 1 686 . 1 1 148 148 TYR CA C 13 60.504 0.035 . 1 . . . . 744 TYR CA . 25355 1 687 . 1 1 148 148 TYR CB C 13 37.102 0.102 . 1 . . . . 744 TYR CB . 25355 1 688 . 1 1 148 148 TYR N N 15 119.268 0.046 . 1 . . . . 744 TYR N . 25355 1 689 . 1 1 149 149 LEU H H 1 7.634 0.004 . 1 . . . . 745 LEU HN . 25355 1 690 . 1 1 149 149 LEU C C 13 179.120 0.013 . 1 . . . . 745 LEU CO . 25355 1 691 . 1 1 149 149 LEU CA C 13 57.314 0.068 . 1 . . . . 745 LEU CA . 25355 1 692 . 1 1 149 149 LEU CB C 13 39.510 0.054 . 1 . . . . 745 LEU CB . 25355 1 693 . 1 1 149 149 LEU N N 15 119.774 0.054 . 1 . . . . 745 LEU N . 25355 1 694 . 1 1 150 150 ALA H H 1 9.211 0.004 . 1 . . . . 746 ALA HN . 25355 1 695 . 1 1 150 150 ALA C C 13 183.410 0.018 . 1 . . . . 746 ALA CO . 25355 1 696 . 1 1 150 150 ALA CA C 13 55.322 0.048 . 1 . . . . 746 ALA CA . 25355 1 697 . 1 1 150 150 ALA CB C 13 17.405 0.020 . 1 . . . . 746 ALA CB . 25355 1 698 . 1 1 150 150 ALA N N 15 123.905 0.029 . 1 . . . . 746 ALA N . 25355 1 699 . 1 1 151 151 ASP H H 1 8.628 0.007 . 1 . . . . 747 ASP HN . 25355 1 700 . 1 1 151 151 ASP C C 13 178.161 0.007 . 1 . . . . 747 ASP CO . 25355 1 701 . 1 1 151 151 ASP CA C 13 56.484 0.032 . 1 . . . . 747 ASP CA . 25355 1 702 . 1 1 151 151 ASP CB C 13 39.293 0.062 . 1 . . . . 747 ASP CB . 25355 1 703 . 1 1 151 151 ASP N N 15 122.556 0.046 . 1 . . . . 747 ASP N . 25355 1 704 . 1 1 152 152 MET H H 1 7.378 0.006 . 1 . . . . 748 MET HN . 25355 1 705 . 1 1 152 152 MET C C 13 175.221 0.023 . 1 . . . . 748 MET CO . 25355 1 706 . 1 1 152 152 MET CA C 13 55.250 0.079 . 1 . . . . 748 MET CA . 25355 1 707 . 1 1 152 152 MET CB C 13 32.108 0.009 . 1 . . . . 748 MET CB . 25355 1 708 . 1 1 152 152 MET N N 15 118.479 0.104 . 1 . . . . 748 MET N . 25355 1 709 . 1 1 153 153 ASN H H 1 8.183 0.003 . 1 . . . . 749 ASN HN . 25355 1 710 . 1 1 153 153 ASN C C 13 173.726 0.055 . 1 . . . . 749 ASN CO . 25355 1 711 . 1 1 153 153 ASN CA C 13 54.180 0.018 . 1 . . . . 749 ASN CA . 25355 1 712 . 1 1 153 153 ASN CB C 13 37.093 0.002 . 1 . . . . 749 ASN CB . 25355 1 713 . 1 1 153 153 ASN N N 15 114.881 0.042 . 1 . . . . 749 ASN N . 25355 1 714 . 1 1 154 154 TYR H H 1 8.300 0.004 . 1 . . . . 750 TYR HN . 25355 1 715 . 1 1 154 154 TYR C C 13 172.996 0.019 . 1 . . . . 750 TYR CO . 25355 1 716 . 1 1 154 154 TYR CA C 13 58.430 0.001 . 1 . . . . 750 TYR CA . 25355 1 717 . 1 1 154 154 TYR CB C 13 38.748 0.080 . 1 . . . . 750 TYR CB . 25355 1 718 . 1 1 154 154 TYR N N 15 121.008 0.078 . 1 . . . . 750 TYR N . 25355 1 719 . 1 1 155 155 VAL H H 1 6.570 0.005 . 1 . . . . 751 VAL HN . 25355 1 720 . 1 1 155 155 VAL C C 13 174.484 0.000 . 1 . . . . 751 VAL CO . 25355 1 721 . 1 1 155 155 VAL CA C 13 60.669 0.000 . 1 . . . . 751 VAL CA . 25355 1 722 . 1 1 155 155 VAL CB C 13 31.770 0.000 . 1 . . . . 751 VAL CB . 25355 1 723 . 1 1 155 155 VAL N N 15 128.675 0.033 . 1 . . . . 751 VAL N . 25355 1 724 . 1 1 160 160 ALA C C 13 177.943 0.000 . 1 . . . . 756 ALA CO . 25355 1 725 . 1 1 160 160 ALA CA C 13 50.750 0.000 . 1 . . . . 756 ALA CA . 25355 1 726 . 1 1 160 160 ALA CB C 13 19.656 0.000 . 1 . . . . 756 ALA CB . 25355 1 727 . 1 1 161 161 ALA H H 1 10.205 0.006 . 1 . . . . 757 ALA HN . 25355 1 728 . 1 1 161 161 ALA C C 13 178.625 0.000 . 1 . . . . 757 ALA CO . 25355 1 729 . 1 1 161 161 ALA CA C 13 56.060 0.000 . 1 . . . . 757 ALA CA . 25355 1 730 . 1 1 161 161 ALA CB C 13 15.487 0.000 . 1 . . . . 757 ALA CB . 25355 1 731 . 1 1 161 161 ALA N N 15 127.399 0.059 . 1 . . . . 757 ALA N . 25355 1 732 . 1 1 163 163 ASN H H 1 7.615 0.001 . 1 . . . . 759 ASN HN . 25355 1 733 . 1 1 163 163 ASN C C 13 173.203 0.000 . 1 . . . . 759 ASN CO . 25355 1 734 . 1 1 163 163 ASN CA C 13 51.870 0.015 . 1 . . . . 759 ASN CA . 25355 1 735 . 1 1 163 163 ASN CB C 13 38.213 0.045 . 1 . . . . 759 ASN CB . 25355 1 736 . 1 1 163 163 ASN N N 15 116.826 0.001 . 1 . . . . 759 ASN N . 25355 1 737 . 1 1 164 164 ILE H H 1 7.668 0.006 . 1 . . . . 760 ILE HN . 25355 1 738 . 1 1 164 164 ILE C C 13 173.908 0.000 . 1 . . . . 760 ILE CO . 25355 1 739 . 1 1 164 164 ILE CA C 13 57.402 0.000 . 1 . . . . 760 ILE CA . 25355 1 740 . 1 1 164 164 ILE CB C 13 36.169 0.000 . 1 . . . . 760 ILE CB . 25355 1 741 . 1 1 164 164 ILE N N 15 124.270 0.031 . 1 . . . . 760 ILE N . 25355 1 742 . 1 1 165 165 LEU C C 13 176.065 0.000 . 1 . . . . 761 LEU CO . 25355 1 743 . 1 1 165 165 LEU CA C 13 51.961 0.000 . 1 . . . . 761 LEU CA . 25355 1 744 . 1 1 165 165 LEU CB C 13 43.544 0.000 . 1 . . . . 761 LEU CB . 25355 1 745 . 1 1 166 166 VAL H H 1 8.290 0.006 . 1 . . . . 762 VAL HN . 25355 1 746 . 1 1 166 166 VAL C C 13 175.931 0.002 . 1 . . . . 762 VAL CO . 25355 1 747 . 1 1 166 166 VAL CA C 13 60.013 0.002 . 1 . . . . 762 VAL CA . 25355 1 748 . 1 1 166 166 VAL CB C 13 33.246 0.059 . 1 . . . . 762 VAL CB . 25355 1 749 . 1 1 166 166 VAL N N 15 119.786 0.015 . 1 . . . . 762 VAL N . 25355 1 750 . 1 1 167 167 ASN H H 1 7.901 0.005 . 1 . . . . 763 ASN HN . 25355 1 751 . 1 1 167 167 ASN C C 13 178.135 0.000 . 1 . . . . 763 ASN CO . 25355 1 752 . 1 1 167 167 ASN CA C 13 50.393 0.000 . 1 . . . . 763 ASN CA . 25355 1 753 . 1 1 167 167 ASN CB C 13 39.257 0.000 . 1 . . . . 763 ASN CB . 25355 1 754 . 1 1 167 167 ASN N N 15 126.195 0.024 . 1 . . . . 763 ASN N . 25355 1 755 . 1 1 168 168 SER C C 13 174.297 0.000 . 1 . . . . 764 SER CO . 25355 1 756 . 1 1 168 168 SER CA C 13 60.646 0.000 . 1 . . . . 764 SER CA . 25355 1 757 . 1 1 168 168 SER CB C 13 62.546 0.000 . 1 . . . . 764 SER CB . 25355 1 758 . 1 1 169 169 ASN H H 1 7.471 0.005 . 1 . . . . 765 ASN HN . 25355 1 759 . 1 1 169 169 ASN C C 13 173.662 0.034 . 1 . . . . 765 ASN CO . 25355 1 760 . 1 1 169 169 ASN CA C 13 52.559 0.083 . 1 . . . . 765 ASN CA . 25355 1 761 . 1 1 169 169 ASN CB C 13 38.397 0.016 . 1 . . . . 765 ASN CB . 25355 1 762 . 1 1 169 169 ASN N N 15 119.201 0.078 . 1 . . . . 765 ASN N . 25355 1 763 . 1 1 170 170 LEU H H 1 7.822 0.007 . 1 . . . . 766 LEU HN . 25355 1 764 . 1 1 170 170 LEU C C 13 174.801 0.061 . 1 . . . . 766 LEU CO . 25355 1 765 . 1 1 170 170 LEU CA C 13 56.058 0.114 . 1 . . . . 766 LEU CA . 25355 1 766 . 1 1 170 170 LEU CB C 13 36.655 0.010 . 1 . . . . 766 LEU CB . 25355 1 767 . 1 1 170 170 LEU N N 15 113.993 0.036 . 1 . . . . 766 LEU N . 25355 1 768 . 1 1 171 171 VAL H H 1 7.595 0.004 . 1 . . . . 767 VAL HN . 25355 1 769 . 1 1 171 171 VAL C C 13 175.630 0.005 . 1 . . . . 767 VAL CO . 25355 1 770 . 1 1 171 171 VAL CA C 13 62.921 0.059 . 1 . . . . 767 VAL CA . 25355 1 771 . 1 1 171 171 VAL CB C 13 30.354 0.054 . 1 . . . . 767 VAL CB . 25355 1 772 . 1 1 171 171 VAL N N 15 121.130 0.046 . 1 . . . . 767 VAL N . 25355 1 773 . 1 1 172 172 CYS H H 1 8.268 0.009 . 1 . . . . 768 CYS HN . 25355 1 774 . 1 1 172 172 CYS C C 13 174.384 0.000 . 1 . . . . 768 CYS CO . 25355 1 775 . 1 1 172 172 CYS CA C 13 57.995 0.000 . 1 . . . . 768 CYS CA . 25355 1 776 . 1 1 172 172 CYS CB C 13 28.990 0.000 . 1 . . . . 768 CYS CB . 25355 1 777 . 1 1 172 172 CYS N N 15 125.493 0.027 . 1 . . . . 768 CYS N . 25355 1 778 . 1 1 188 188 SER C C 13 173.918 0.000 . 1 . . . . 784 SER CO . 25355 1 779 . 1 1 188 188 SER CA C 13 58.500 0.000 . 1 . . . . 784 SER CA . 25355 1 780 . 1 1 189 189 ASP H H 1 7.987 0.009 . 1 . . . . 785 ASP HN . 25355 1 781 . 1 1 189 189 ASP C C 13 175.143 0.000 . 1 . . . . 785 ASP CO . 25355 1 782 . 1 1 189 189 ASP CA C 13 51.621 0.000 . 1 . . . . 785 ASP CA . 25355 1 783 . 1 1 189 189 ASP CB C 13 41.232 0.000 . 1 . . . . 785 ASP CB . 25355 1 784 . 1 1 189 189 ASP N N 15 123.877 0.021 . 1 . . . . 785 ASP N . 25355 1 785 . 1 1 190 190 PRO C C 13 177.526 0.000 . 1 . . . . 786 PRO CO . 25355 1 786 . 1 1 190 190 PRO CA C 13 63.479 0.000 . 1 . . . . 786 PRO CA . 25355 1 787 . 1 1 190 190 PRO CB C 13 31.236 0.000 . 1 . . . . 786 PRO CB . 25355 1 788 . 1 1 191 191 THR H H 1 8.372 0.005 . 1 . . . . 787 THR HN . 25355 1 789 . 1 1 191 191 THR C C 13 174.998 0.005 . 1 . . . . 787 THR CO . 25355 1 790 . 1 1 191 191 THR CA C 13 62.479 0.002 . 1 . . . . 787 THR CA . 25355 1 791 . 1 1 191 191 THR CB C 13 69.128 0.168 . 1 . . . . 787 THR CB . 25355 1 792 . 1 1 191 191 THR N N 15 113.012 0.032 . 1 . . . . 787 THR N . 25355 1 793 . 1 1 192 192 TYR H H 1 7.815 0.005 . 1 . . . . 788 TYR HN . 25355 1 794 . 1 1 192 192 TYR C C 13 176.058 0.000 . 1 . . . . 788 TYR CO . 25355 1 795 . 1 1 192 192 TYR CA C 13 58.475 0.000 . 1 . . . . 788 TYR CA . 25355 1 796 . 1 1 192 192 TYR CB C 13 37.596 0.000 . 1 . . . . 788 TYR CB . 25355 1 797 . 1 1 192 192 TYR N N 15 122.326 0.026 . 1 . . . . 788 TYR N . 25355 1 798 . 1 1 195 195 ALA C C 13 178.098 0.000 . 1 . . . . 791 ALA CO . 25355 1 799 . 1 1 195 195 ALA CA C 13 52.764 0.000 . 1 . . . . 791 ALA CA . 25355 1 800 . 1 1 195 195 ALA CB C 13 18.170 0.000 . 1 . . . . 791 ALA CB . 25355 1 801 . 1 1 196 196 LEU H H 1 7.991 0.005 . 1 . . . . 792 LEU HN . 25355 1 802 . 1 1 196 196 LEU C C 13 177.916 0.036 . 1 . . . . 792 LEU CO . 25355 1 803 . 1 1 196 196 LEU CA C 13 55.108 0.051 . 1 . . . . 792 LEU CA . 25355 1 804 . 1 1 196 196 LEU CB C 13 41.109 0.003 . 1 . . . . 792 LEU CB . 25355 1 805 . 1 1 196 196 LEU N N 15 119.662 0.086 . 1 . . . . 792 LEU N . 25355 1 806 . 1 1 197 197 GLY H H 1 8.053 0.007 . 1 . . . . 793 GLY HN . 25355 1 807 . 1 1 197 197 GLY C C 13 174.562 0.003 . 1 . . . . 793 GLY CO . 25355 1 808 . 1 1 197 197 GLY CA C 13 45.050 0.043 . 1 . . . . 793 GLY CA . 25355 1 809 . 1 1 197 197 GLY N N 15 108.976 0.061 . 1 . . . . 793 GLY N . 25355 1 810 . 1 1 198 198 GLY H H 1 8.028 0.006 . 1 . . . . 794 GLY HN . 25355 1 811 . 1 1 198 198 GLY C C 13 174.093 0.000 . 1 . . . . 794 GLY CO . 25355 1 812 . 1 1 198 198 GLY CA C 13 45.168 0.003 . 1 . . . . 794 GLY CA . 25355 1 813 . 1 1 198 198 GLY N N 15 109.067 0.027 . 1 . . . . 794 GLY N . 25355 1 814 . 1 1 204 204 TRP C C 13 175.319 0.000 . 1 . . . . 800 TRP CO . 25355 1 815 . 1 1 204 204 TRP CB C 13 32.146 0.000 . 1 . . . . 800 TRP CB . 25355 1 816 . 1 1 205 205 THR H H 1 7.498 0.007 . 1 . . . . 801 THR HN . 25355 1 817 . 1 1 205 205 THR C C 13 171.367 0.026 . 1 . . . . 801 THR CO . 25355 1 818 . 1 1 205 205 THR CA C 13 62.463 0.023 . 1 . . . . 801 THR CA . 25355 1 819 . 1 1 205 205 THR CB C 13 68.851 0.020 . 1 . . . . 801 THR CB . 25355 1 820 . 1 1 205 205 THR N N 15 118.404 0.031 . 1 . . . . 801 THR N . 25355 1 821 . 1 1 206 206 ALA H H 1 7.242 0.020 . 1 . . . . 802 ALA HN . 25355 1 822 . 1 1 206 206 ALA C C 13 176.076 0.000 . 1 . . . . 802 ALA CO . 25355 1 823 . 1 1 206 206 ALA CA C 13 49.629 0.000 . 1 . . . . 802 ALA CA . 25355 1 824 . 1 1 206 206 ALA CB C 13 17.900 0.000 . 1 . . . . 802 ALA CB . 25355 1 825 . 1 1 206 206 ALA N N 15 127.514 0.064 . 1 . . . . 802 ALA N . 25355 1 826 . 1 1 207 207 PRO C C 13 178.065 0.000 . 1 . . . . 803 PRO CO . 25355 1 827 . 1 1 207 207 PRO CA C 13 64.729 0.000 . 1 . . . . 803 PRO CA . 25355 1 828 . 1 1 207 207 PRO CB C 13 30.245 0.000 . 1 . . . . 803 PRO CB . 25355 1 829 . 1 1 208 208 GLU H H 1 9.388 0.012 . 1 . . . . 804 GLU HN . 25355 1 830 . 1 1 208 208 GLU C C 13 177.620 0.010 . 1 . . . . 804 GLU CO . 25355 1 831 . 1 1 208 208 GLU CA C 13 58.052 0.120 . 1 . . . . 804 GLU CA . 25355 1 832 . 1 1 208 208 GLU CB C 13 25.401 0.058 . 1 . . . . 804 GLU CB . 25355 1 833 . 1 1 208 208 GLU N N 15 116.997 0.026 . 1 . . . . 804 GLU N . 25355 1 834 . 1 1 209 209 ALA H H 1 6.853 0.007 . 1 . . . . 805 ALA HN . 25355 1 835 . 1 1 209 209 ALA C C 13 178.149 0.030 . 1 . . . . 805 ALA CO . 25355 1 836 . 1 1 209 209 ALA CA C 13 53.676 0.029 . 1 . . . . 805 ALA CA . 25355 1 837 . 1 1 209 209 ALA CB C 13 16.296 0.045 . 1 . . . . 805 ALA CB . 25355 1 838 . 1 1 209 209 ALA N N 15 127.801 0.038 . 1 . . . . 805 ALA N . 25355 1 839 . 1 1 210 210 ILE H H 1 7.109 0.007 . 1 . . . . 806 ILE HN . 25355 1 840 . 1 1 210 210 ILE C C 13 177.596 0.005 . 1 . . . . 806 ILE CO . 25355 1 841 . 1 1 210 210 ILE CA C 13 64.495 0.010 . 1 . . . . 806 ILE CA . 25355 1 842 . 1 1 210 210 ILE CB C 13 37.692 0.115 . 1 . . . . 806 ILE CB . 25355 1 843 . 1 1 210 210 ILE N N 15 118.868 0.102 . 1 . . . . 806 ILE N . 25355 1 844 . 1 1 211 211 GLN H H 1 7.843 0.006 . 1 . . . . 807 GLN HN . 25355 1 845 . 1 1 211 211 GLN C C 13 177.394 0.003 . 1 . . . . 807 GLN CO . 25355 1 846 . 1 1 211 211 GLN CA C 13 58.022 0.093 . 1 . . . . 807 GLN CA . 25355 1 847 . 1 1 211 211 GLN CB C 13 28.130 0.001 . 1 . . . . 807 GLN CB . 25355 1 848 . 1 1 211 211 GLN N N 15 114.779 0.054 . 1 . . . . 807 GLN N . 25355 1 849 . 1 1 212 212 TYR H H 1 6.950 0.009 . 1 . . . . 808 TYR HN . 25355 1 850 . 1 1 212 212 TYR C C 13 175.156 0.040 . 1 . . . . 808 TYR CO . 25355 1 851 . 1 1 212 212 TYR CA C 13 56.004 0.000 . 1 . . . . 808 TYR CA . 25355 1 852 . 1 1 212 212 TYR CB C 13 38.643 0.048 . 1 . . . . 808 TYR CB . 25355 1 853 . 1 1 212 212 TYR N N 15 112.127 0.060 . 1 . . . . 808 TYR N . 25355 1 854 . 1 1 213 213 ARG H H 1 7.247 0.006 . 1 . . . . 809 ARG HN . 25355 1 855 . 1 1 213 213 ARG C C 13 174.645 0.005 . 1 . . . . 809 ARG CO . 25355 1 856 . 1 1 213 213 ARG CA C 13 56.231 0.024 . 1 . . . . 809 ARG CA . 25355 1 857 . 1 1 213 213 ARG CB C 13 25.524 0.120 . 1 . . . . 809 ARG CB . 25355 1 858 . 1 1 213 213 ARG N N 15 115.564 0.022 . 1 . . . . 809 ARG N . 25355 1 859 . 1 1 214 214 LYS H H 1 6.686 0.008 . 1 . . . . 810 LYS HN . 25355 1 860 . 1 1 214 214 LYS C C 13 174.512 0.020 . 1 . . . . 810 LYS CO . 25355 1 861 . 1 1 214 214 LYS CA C 13 53.913 0.032 . 1 . . . . 810 LYS CA . 25355 1 862 . 1 1 214 214 LYS CB C 13 31.112 0.012 . 1 . . . . 810 LYS CB . 25355 1 863 . 1 1 214 214 LYS N N 15 119.608 0.032 . 1 . . . . 810 LYS N . 25355 1 864 . 1 1 215 215 PHE H H 1 8.303 0.007 . 1 . . . . 811 PHE HN . 25355 1 865 . 1 1 215 215 PHE C C 13 176.104 0.000 . 1 . . . . 811 PHE CO . 25355 1 866 . 1 1 215 215 PHE CA C 13 56.665 0.000 . 1 . . . . 811 PHE CA . 25355 1 867 . 1 1 215 215 PHE CB C 13 39.475 0.000 . 1 . . . . 811 PHE CB . 25355 1 868 . 1 1 215 215 PHE N N 15 125.938 0.029 . 1 . . . . 811 PHE N . 25355 1 869 . 1 1 217 217 SER C C 13 175.708 0.000 . 1 . . . . 813 SER CO . 25355 1 870 . 1 1 217 217 SER CA C 13 63.525 0.000 . 1 . . . . 813 SER CA . 25355 1 871 . 1 1 217 217 SER CB C 13 62.200 0.000 . 1 . . . . 813 SER CB . 25355 1 872 . 1 1 218 218 ALA H H 1 7.778 0.008 . 1 . . . . 814 ALA HN . 25355 1 873 . 1 1 218 218 ALA C C 13 182.652 0.000 . 1 . . . . 814 ALA CO . 25355 1 874 . 1 1 218 218 ALA CA C 13 54.197 0.000 . 1 . . . . 814 ALA CA . 25355 1 875 . 1 1 218 218 ALA CB C 13 18.697 0.000 . 1 . . . . 814 ALA CB . 25355 1 876 . 1 1 218 218 ALA N N 15 121.361 0.043 . 1 . . . . 814 ALA N . 25355 1 877 . 1 1 219 219 SER C C 13 179.029 0.000 . 1 . . . . 815 SER CO . 25355 1 878 . 1 1 220 220 ASP H H 1 8.061 0.010 . 1 . . . . 816 ASP HN . 25355 1 879 . 1 1 220 220 ASP C C 13 178.974 0.000 . 1 . . . . 816 ASP CO . 25355 1 880 . 1 1 220 220 ASP CA C 13 57.881 0.057 . 1 . . . . 816 ASP CA . 25355 1 881 . 1 1 220 220 ASP CB C 13 39.422 0.020 . 1 . . . . 816 ASP CB . 25355 1 882 . 1 1 220 220 ASP N N 15 128.382 0.067 . 1 . . . . 816 ASP N . 25355 1 883 . 1 1 221 221 VAL H H 1 8.112 0.006 . 1 . . . . 817 VAL HN . 25355 1 884 . 1 1 221 221 VAL C C 13 177.802 0.046 . 1 . . . . 817 VAL CO . 25355 1 885 . 1 1 221 221 VAL CA C 13 67.142 0.016 . 1 . . . . 817 VAL CA . 25355 1 886 . 1 1 221 221 VAL CB C 13 30.224 0.013 . 1 . . . . 817 VAL CB . 25355 1 887 . 1 1 221 221 VAL N N 15 123.992 0.036 . 1 . . . . 817 VAL N . 25355 1 888 . 1 1 222 222 TRP H H 1 7.247 0.007 . 1 . . . . 818 TRP HN . 25355 1 889 . 1 1 222 222 TRP C C 13 179.577 0.042 . 1 . . . . 818 TRP CO . 25355 1 890 . 1 1 222 222 TRP CA C 13 61.368 0.186 . 1 . . . . 818 TRP CA . 25355 1 891 . 1 1 222 222 TRP CB C 13 27.677 0.052 . 1 . . . . 818 TRP CB . 25355 1 892 . 1 1 222 222 TRP N N 15 122.319 0.064 . 1 . . . . 818 TRP N . 25355 1 893 . 1 1 223 223 SER H H 1 8.424 0.006 . 1 . . . . 819 SER HN . 25355 1 894 . 1 1 223 223 SER C C 13 176.286 0.002 . 1 . . . . 819 SER CO . 25355 1 895 . 1 1 223 223 SER CA C 13 61.658 0.048 . 1 . . . . 819 SER CA . 25355 1 896 . 1 1 223 223 SER CB C 13 63.451 0.091 . 1 . . . . 819 SER CB . 25355 1 897 . 1 1 223 223 SER N N 15 115.296 0.088 . 1 . . . . 819 SER N . 25355 1 898 . 1 1 224 224 TYR H H 1 9.327 0.006 . 1 . . . . 820 TYR HN . 25355 1 899 . 1 1 224 224 TYR C C 13 176.851 0.027 . 1 . . . . 820 TYR CO . 25355 1 900 . 1 1 224 224 TYR CA C 13 62.363 0.015 . 1 . . . . 820 TYR CA . 25355 1 901 . 1 1 224 224 TYR CB C 13 37.685 0.096 . 1 . . . . 820 TYR CB . 25355 1 902 . 1 1 224 224 TYR N N 15 123.776 0.010 . 1 . . . . 820 TYR N . 25355 1 903 . 1 1 225 225 GLY H H 1 8.551 0.006 . 1 . . . . 821 GLY HN . 25355 1 904 . 1 1 225 225 GLY C C 13 176.070 0.000 . 1 . . . . 821 GLY CO . 25355 1 905 . 1 1 225 225 GLY CA C 13 47.187 0.000 . 1 . . . . 821 GLY CA . 25355 1 906 . 1 1 225 225 GLY N N 15 108.726 0.069 . 1 . . . . 821 GLY N . 25355 1 907 . 1 1 226 226 ILE C C 13 178.109 0.000 . 1 . . . . 822 ILE CO . 25355 1 908 . 1 1 226 226 ILE CA C 13 62.499 0.000 . 1 . . . . 822 ILE CA . 25355 1 909 . 1 1 226 226 ILE CB C 13 32.827 0.000 . 1 . . . . 822 ILE CB . 25355 1 910 . 1 1 227 227 VAL H H 1 8.806 0.005 . 1 . . . . 823 VAL HN . 25355 1 911 . 1 1 227 227 VAL C C 13 178.562 0.000 . 1 . . . . 823 VAL CO . 25355 1 912 . 1 1 227 227 VAL CA C 13 65.913 0.033 . 1 . . . . 823 VAL CA . 25355 1 913 . 1 1 227 227 VAL CB C 13 29.596 0.033 . 1 . . . . 823 VAL CB . 25355 1 914 . 1 1 227 227 VAL N N 15 123.378 0.046 . 1 . . . . 823 VAL N . 25355 1 915 . 1 1 228 228 MET H H 1 8.714 0.006 . 1 . . . . 824 MET HN . 25355 1 916 . 1 1 228 228 MET C C 13 177.591 0.036 . 1 . . . . 824 MET CO . 25355 1 917 . 1 1 228 228 MET CA C 13 59.383 0.003 . 1 . . . . 824 MET CA . 25355 1 918 . 1 1 228 228 MET CB C 13 33.128 0.000 . 1 . . . . 824 MET CB . 25355 1 919 . 1 1 228 228 MET N N 15 118.090 0.062 . 1 . . . . 824 MET N . 25355 1 920 . 1 1 229 229 TRP H H 1 7.879 0.008 . 1 . . . . 825 TRP HN . 25355 1 921 . 1 1 229 229 TRP C C 13 179.579 0.054 . 1 . . . . 825 TRP CO . 25355 1 922 . 1 1 229 229 TRP CA C 13 63.375 0.120 . 1 . . . . 825 TRP CA . 25355 1 923 . 1 1 229 229 TRP CB C 13 28.624 0.086 . 1 . . . . 825 TRP CB . 25355 1 924 . 1 1 229 229 TRP N N 15 122.564 0.051 . 1 . . . . 825 TRP N . 25355 1 925 . 1 1 230 230 GLU H H 1 9.424 0.012 . 1 . . . . 826 GLU HN . 25355 1 926 . 1 1 230 230 GLU C C 13 178.387 0.051 . 1 . . . . 826 GLU CO . 25355 1 927 . 1 1 230 230 GLU CA C 13 61.012 0.061 . 1 . . . . 826 GLU CA . 25355 1 928 . 1 1 230 230 GLU CB C 13 31.189 0.103 . 1 . . . . 826 GLU CB . 25355 1 929 . 1 1 230 230 GLU N N 15 121.517 0.082 . 1 . . . . 826 GLU N . 25355 1 930 . 1 1 231 231 VAL H H 1 8.664 0.005 . 1 . . . . 827 VAL HN . 25355 1 931 . 1 1 231 231 VAL C C 13 177.798 0.038 . 1 . . . . 827 VAL CO . 25355 1 932 . 1 1 231 231 VAL CA C 13 64.997 0.062 . 1 . . . . 827 VAL CA . 25355 1 933 . 1 1 231 231 VAL CB C 13 30.961 0.000 . 1 . . . . 827 VAL CB . 25355 1 934 . 1 1 231 231 VAL N N 15 119.785 0.023 . 1 . . . . 827 VAL N . 25355 1 935 . 1 1 232 232 MET H H 1 8.000 0.009 . 1 . . . . 828 MET HN . 25355 1 936 . 1 1 232 232 MET C C 13 177.484 0.000 . 1 . . . . 828 MET CO . 25355 1 937 . 1 1 232 232 MET CA C 13 54.246 0.000 . 1 . . . . 828 MET CA . 25355 1 938 . 1 1 232 232 MET CB C 13 27.408 0.000 . 1 . . . . 828 MET CB . 25355 1 939 . 1 1 232 232 MET N N 15 112.511 0.047 . 1 . . . . 828 MET N . 25355 1 940 . 1 1 233 233 SER C C 13 173.688 0.000 . 1 . . . . 829 SER CO . 25355 1 941 . 1 1 233 233 SER CA C 13 57.445 0.000 . 1 . . . . 829 SER CA . 25355 1 942 . 1 1 233 233 SER CB C 13 62.922 0.000 . 1 . . . . 829 SER CB . 25355 1 943 . 1 1 234 234 TYR H H 1 8.000 0.004 . 1 . . . . 830 TYR HN . 25355 1 944 . 1 1 234 234 TYR C C 13 175.130 0.009 . 1 . . . . 830 TYR CO . 25355 1 945 . 1 1 234 234 TYR CA C 13 60.853 0.012 . 1 . . . . 830 TYR CA . 25355 1 946 . 1 1 234 234 TYR CB C 13 34.037 0.011 . 1 . . . . 830 TYR CB . 25355 1 947 . 1 1 234 234 TYR N N 15 118.559 0.035 . 1 . . . . 830 TYR N . 25355 1 948 . 1 1 235 235 GLY H H 1 9.274 0.004 . 1 . . . . 831 GLY HN . 25355 1 949 . 1 1 235 235 GLY C C 13 175.495 0.000 . 1 . . . . 831 GLY CO . 25355 1 950 . 1 1 235 235 GLY CA C 13 45.506 0.125 . 1 . . . . 831 GLY CA . 25355 1 951 . 1 1 235 235 GLY N N 15 103.189 0.048 . 1 . . . . 831 GLY N . 25355 1 952 . 1 1 236 236 GLU H H 1 7.006 0.008 . 1 . . . . 832 GLU HN . 25355 1 953 . 1 1 236 236 GLU C C 13 175.220 0.002 . 1 . . . . 832 GLU CO . 25355 1 954 . 1 1 236 236 GLU CA C 13 56.102 0.001 . 1 . . . . 832 GLU CA . 25355 1 955 . 1 1 236 236 GLU CB C 13 29.434 0.092 . 1 . . . . 832 GLU CB . 25355 1 956 . 1 1 236 236 GLU N N 15 121.374 0.068 . 1 . . . . 832 GLU N . 25355 1 957 . 1 1 237 237 ARG H H 1 9.027 0.008 . 1 . . . . 833 ARG HN . 25355 1 958 . 1 1 237 237 ARG C C 13 174.571 0.000 . 1 . . . . 833 ARG CO . 25355 1 959 . 1 1 237 237 ARG CA C 13 53.504 0.000 . 1 . . . . 833 ARG CA . 25355 1 960 . 1 1 237 237 ARG CB C 13 30.598 0.000 . 1 . . . . 833 ARG CB . 25355 1 961 . 1 1 237 237 ARG N N 15 127.492 0.035 . 1 . . . . 833 ARG N . 25355 1 962 . 1 1 238 238 PRO C C 13 173.197 0.000 . 1 . . . . 834 PRO CO . 25355 1 963 . 1 1 238 238 PRO CA C 13 58.764 0.000 . 1 . . . . 834 PRO CA . 25355 1 964 . 1 1 238 238 PRO CB C 13 34.163 0.000 . 1 . . . . 834 PRO CB . 25355 1 965 . 1 1 239 239 TYR H H 1 7.967 0.004 . 1 . . . . 835 TYR HN . 25355 1 966 . 1 1 239 239 TYR C C 13 175.286 0.000 . 1 . . . . 835 TYR CO . 25355 1 967 . 1 1 239 239 TYR CA C 13 60.306 0.000 . 1 . . . . 835 TYR CA . 25355 1 968 . 1 1 239 239 TYR CB C 13 25.321 0.000 . 1 . . . . 835 TYR CB . 25355 1 969 . 1 1 239 239 TYR N N 15 117.980 0.038 . 1 . . . . 835 TYR N . 25355 1 970 . 1 1 241 241 ASP C C 13 177.174 0.000 . 1 . . . . 837 ASP CO . 25355 1 971 . 1 1 241 241 ASP CA C 13 53.150 0.000 . 1 . . . . 837 ASP CA . 25355 1 972 . 1 1 241 241 ASP CB C 13 39.596 0.000 . 1 . . . . 837 ASP CB . 25355 1 973 . 1 1 242 242 MET H H 1 8.343 0.005 . 1 . . . . 838 MET HN . 25355 1 974 . 1 1 242 242 MET C C 13 177.865 0.006 . 1 . . . . 838 MET CO . 25355 1 975 . 1 1 242 242 MET CA C 13 57.353 0.028 . 1 . . . . 838 MET CA . 25355 1 976 . 1 1 242 242 MET CB C 13 33.400 0.001 . 1 . . . . 838 MET CB . 25355 1 977 . 1 1 242 242 MET N N 15 121.760 0.060 . 1 . . . . 838 MET N . 25355 1 978 . 1 1 243 243 THR H H 1 9.032 0.007 . 1 . . . . 839 THR HN . 25355 1 979 . 1 1 243 243 THR C C 13 174.989 0.000 . 1 . . . . 839 THR CO . 25355 1 980 . 1 1 243 243 THR CA C 13 60.733 0.000 . 1 . . . . 839 THR CA . 25355 1 981 . 1 1 243 243 THR CB C 13 70.420 0.000 . 1 . . . . 839 THR CB . 25355 1 982 . 1 1 243 243 THR N N 15 115.619 0.040 . 1 . . . . 839 THR N . 25355 1 983 . 1 1 244 244 ASN C C 13 176.941 0.000 . 1 . . . . 840 ASN CO . 25355 1 984 . 1 1 244 244 ASN CA C 13 55.779 0.000 . 1 . . . . 840 ASN CA . 25355 1 985 . 1 1 244 244 ASN CB C 13 36.570 0.000 . 1 . . . . 840 ASN CB . 25355 1 986 . 1 1 245 245 GLN H H 1 8.315 0.009 . 1 . . . . 841 GLN HN . 25355 1 987 . 1 1 245 245 GLN C C 13 177.548 0.005 . 1 . . . . 841 GLN CO . 25355 1 988 . 1 1 245 245 GLN CA C 13 57.938 0.031 . 1 . . . . 841 GLN CA . 25355 1 989 . 1 1 245 245 GLN CB C 13 27.567 0.059 . 1 . . . . 841 GLN CB . 25355 1 990 . 1 1 245 245 GLN N N 15 118.439 0.054 . 1 . . . . 841 GLN N . 25355 1 991 . 1 1 246 246 ASP H H 1 7.573 0.004 . 1 . . . . 842 ASP HN . 25355 1 992 . 1 1 246 246 ASP C C 13 179.007 0.032 . 1 . . . . 842 ASP CO . 25355 1 993 . 1 1 246 246 ASP CA C 13 56.754 0.036 . 1 . . . . 842 ASP CA . 25355 1 994 . 1 1 246 246 ASP CB C 13 39.403 0.040 . 1 . . . . 842 ASP CB . 25355 1 995 . 1 1 246 246 ASP N N 15 120.265 0.068 . 1 . . . . 842 ASP N . 25355 1 996 . 1 1 247 247 VAL H H 1 7.928 0.005 . 1 . . . . 843 VAL HN . 25355 1 997 . 1 1 247 247 VAL C C 13 176.548 0.016 . 1 . . . . 843 VAL CO . 25355 1 998 . 1 1 247 247 VAL CA C 13 66.410 0.003 . 1 . . . . 843 VAL CA . 25355 1 999 . 1 1 247 247 VAL CB C 13 30.103 0.024 . 1 . . . . 843 VAL CB . 25355 1 1000 . 1 1 247 247 VAL N N 15 122.401 0.054 . 1 . . . . 843 VAL N . 25355 1 1001 . 1 1 248 248 ILE H H 1 7.363 0.005 . 1 . . . . 844 ILE HN . 25355 1 1002 . 1 1 248 248 ILE C C 13 178.403 0.059 . 1 . . . . 844 ILE CO . 25355 1 1003 . 1 1 248 248 ILE CA C 13 64.715 0.023 . 1 . . . . 844 ILE CA . 25355 1 1004 . 1 1 248 248 ILE CB C 13 37.114 0.135 . 1 . . . . 844 ILE CB . 25355 1 1005 . 1 1 248 248 ILE N N 15 118.933 0.055 . 1 . . . . 844 ILE N . 25355 1 1006 . 1 1 249 249 ASN H H 1 7.888 0.010 . 1 . . . . 845 ASN HN . 25355 1 1007 . 1 1 249 249 ASN C C 13 177.245 0.018 . 1 . . . . 845 ASN CO . 25355 1 1008 . 1 1 249 249 ASN CA C 13 55.069 0.033 . 1 . . . . 845 ASN CA . 25355 1 1009 . 1 1 249 249 ASN CB C 13 37.487 0.062 . 1 . . . . 845 ASN CB . 25355 1 1010 . 1 1 249 249 ASN N N 15 117.020 0.040 . 1 . . . . 845 ASN N . 25355 1 1011 . 1 1 250 250 ALA H H 1 8.123 0.005 . 1 . . . . 846 ALA HN . 25355 1 1012 . 1 1 250 250 ALA C C 13 180.863 0.012 . 1 . . . . 846 ALA CO . 25355 1 1013 . 1 1 250 250 ALA CA C 13 54.641 0.054 . 1 . . . . 846 ALA CA . 25355 1 1014 . 1 1 250 250 ALA CB C 13 16.135 0.023 . 1 . . . . 846 ALA CB . 25355 1 1015 . 1 1 250 250 ALA N N 15 123.224 0.015 . 1 . . . . 846 ALA N . 25355 1 1016 . 1 1 251 251 ILE H H 1 8.453 0.005 . 1 . . . . 847 ILE HN . 25355 1 1017 . 1 1 251 251 ILE C C 13 181.200 0.023 . 1 . . . . 847 ILE CO . 25355 1 1018 . 1 1 251 251 ILE CA C 13 63.312 0.059 . 1 . . . . 847 ILE CA . 25355 1 1019 . 1 1 251 251 ILE CB C 13 36.356 0.090 . 1 . . . . 847 ILE CB . 25355 1 1020 . 1 1 251 251 ILE N N 15 119.526 0.067 . 1 . . . . 847 ILE N . 25355 1 1021 . 1 1 252 252 GLU H H 1 7.698 0.007 . 1 . . . . 848 GLU HN . 25355 1 1022 . 1 1 252 252 GLU C C 13 177.570 0.020 . 1 . . . . 848 GLU CO . 25355 1 1023 . 1 1 252 252 GLU CA C 13 58.290 0.056 . 1 . . . . 848 GLU CA . 25355 1 1024 . 1 1 252 252 GLU CB C 13 28.590 0.053 . 1 . . . . 848 GLU CB . 25355 1 1025 . 1 1 252 252 GLU N N 15 122.508 0.060 . 1 . . . . 848 GLU N . 25355 1 1026 . 1 1 253 253 GLN H H 1 7.375 0.005 . 1 . . . . 849 GLN HN . 25355 1 1027 . 1 1 253 253 GLN C C 13 175.087 0.013 . 1 . . . . 849 GLN CO . 25355 1 1028 . 1 1 253 253 GLN CA C 13 54.517 0.007 . 1 . . . . 849 GLN CA . 25355 1 1029 . 1 1 253 253 GLN CB C 13 27.110 0.012 . 1 . . . . 849 GLN CB . 25355 1 1030 . 1 1 253 253 GLN N N 15 118.273 0.035 . 1 . . . . 849 GLN N . 25355 1 1031 . 1 1 254 254 ASP H H 1 7.757 0.004 . 1 . . . . 850 ASP HN . 25355 1 1032 . 1 1 254 254 ASP C C 13 174.894 0.063 . 1 . . . . 850 ASP CO . 25355 1 1033 . 1 1 254 254 ASP CA C 13 56.261 0.004 . 1 . . . . 850 ASP CA . 25355 1 1034 . 1 1 254 254 ASP CB C 13 38.156 0.032 . 1 . . . . 850 ASP CB . 25355 1 1035 . 1 1 254 254 ASP N N 15 112.842 0.070 . 1 . . . . 850 ASP N . 25355 1 1036 . 1 1 255 255 TYR H H 1 8.123 0.004 . 1 . . . . 851 TYR HN . 25355 1 1037 . 1 1 255 255 TYR C C 13 175.717 0.010 . 1 . . . . 851 TYR CO . 25355 1 1038 . 1 1 255 255 TYR CA C 13 59.548 0.063 . 1 . . . . 851 TYR CA . 25355 1 1039 . 1 1 255 255 TYR CB C 13 38.791 0.007 . 1 . . . . 851 TYR CB . 25355 1 1040 . 1 1 255 255 TYR N N 15 122.163 0.036 . 1 . . . . 851 TYR N . 25355 1 1041 . 1 1 256 256 ARG H H 1 6.816 0.006 . 1 . . . . 852 ARG HN . 25355 1 1042 . 1 1 256 256 ARG C C 13 173.556 0.010 . 1 . . . . 852 ARG CO . 25355 1 1043 . 1 1 256 256 ARG CA C 13 51.490 0.020 . 1 . . . . 852 ARG CA . 25355 1 1044 . 1 1 256 256 ARG CB C 13 32.957 0.039 . 1 . . . . 852 ARG CB . 25355 1 1045 . 1 1 256 256 ARG N N 15 125.889 0.028 . 1 . . . . 852 ARG N . 25355 1 1046 . 1 1 257 257 LEU H H 1 7.193 0.004 . 1 . . . . 853 LEU HN . 25355 1 1047 . 1 1 257 257 LEU C C 13 174.760 0.000 . 1 . . . . 853 LEU CO . 25355 1 1048 . 1 1 257 257 LEU CA C 13 52.835 0.000 . 1 . . . . 853 LEU CA . 25355 1 1049 . 1 1 257 257 LEU CB C 13 38.819 0.000 . 1 . . . . 853 LEU CB . 25355 1 1050 . 1 1 257 257 LEU N N 15 121.451 0.079 . 1 . . . . 853 LEU N . 25355 1 1051 . 1 1 260 260 PRO C C 13 174.788 0.000 . 1 . . . . 856 PRO CO . 25355 1 1052 . 1 1 260 260 PRO CA C 13 61.059 0.000 . 1 . . . . 856 PRO CA . 25355 1 1053 . 1 1 260 260 PRO CB C 13 31.107 0.000 . 1 . . . . 856 PRO CB . 25355 1 1054 . 1 1 261 261 MET H H 1 8.568 0.012 . 1 . . . . 857 MET HN . 25355 1 1055 . 1 1 261 261 MET C C 13 177.048 0.008 . 1 . . . . 857 MET CO . 25355 1 1056 . 1 1 261 261 MET CA C 13 56.909 0.016 . 1 . . . . 857 MET CA . 25355 1 1057 . 1 1 261 261 MET CB C 13 30.957 0.134 . 1 . . . . 857 MET CB . 25355 1 1058 . 1 1 261 261 MET N N 15 122.626 0.024 . 1 . . . . 857 MET N . 25355 1 1059 . 1 1 262 262 ASP H H 1 8.780 0.009 . 1 . . . . 858 ASP HN . 25355 1 1060 . 1 1 262 262 ASP C C 13 174.274 0.017 . 1 . . . . 858 ASP CO . 25355 1 1061 . 1 1 262 262 ASP CA C 13 55.685 0.030 . 1 . . . . 858 ASP CA . 25355 1 1062 . 1 1 262 262 ASP CB C 13 38.745 0.090 . 1 . . . . 858 ASP CB . 25355 1 1063 . 1 1 262 262 ASP N N 15 120.853 0.059 . 1 . . . . 858 ASP N . 25355 1 1064 . 1 1 263 263 CYS H H 1 7.843 0.003 . 1 . . . . 859 CYS HN . 25355 1 1065 . 1 1 263 263 CYS C C 13 172.934 0.000 . 1 . . . . 859 CYS CO . 25355 1 1066 . 1 1 263 263 CYS CA C 13 56.627 0.000 . 1 . . . . 859 CYS CA . 25355 1 1067 . 1 1 263 263 CYS CB C 13 28.899 0.000 . 1 . . . . 859 CYS CB . 25355 1 1068 . 1 1 263 263 CYS N N 15 120.856 0.018 . 1 . . . . 859 CYS N . 25355 1 1069 . 1 1 265 265 SER C C 13 178.619 0.000 . 1 . . . . 861 SER CO . 25355 1 1070 . 1 1 265 265 SER CA C 13 56.077 0.000 . 1 . . . . 861 SER CA . 25355 1 1071 . 1 1 265 265 SER CB C 13 63.596 0.000 . 1 . . . . 861 SER CB . 25355 1 1072 . 1 1 266 266 ALA H H 1 7.900 0.008 . 1 . . . . 862 ALA HN . 25355 1 1073 . 1 1 266 266 ALA C C 13 180.844 0.000 . 1 . . . . 862 ALA CO . 25355 1 1074 . 1 1 266 266 ALA CA C 13 54.481 0.086 . 1 . . . . 862 ALA CA . 25355 1 1075 . 1 1 266 266 ALA CB C 13 17.617 0.018 . 1 . . . . 862 ALA CB . 25355 1 1076 . 1 1 266 266 ALA N N 15 122.846 0.065 . 1 . . . . 862 ALA N . 25355 1 1077 . 1 1 267 267 LEU H H 1 6.950 0.005 . 1 . . . . 863 LEU HN . 25355 1 1078 . 1 1 267 267 LEU C C 13 177.743 0.010 . 1 . . . . 863 LEU CO . 25355 1 1079 . 1 1 267 267 LEU CA C 13 56.088 0.067 . 1 . . . . 863 LEU CA . 25355 1 1080 . 1 1 267 267 LEU CB C 13 41.944 0.018 . 1 . . . . 863 LEU CB . 25355 1 1081 . 1 1 267 267 LEU N N 15 115.539 0.068 . 1 . . . . 863 LEU N . 25355 1 1082 . 1 1 268 268 HIS H H 1 7.415 0.005 . 1 . . . . 864 HIS HN . 25355 1 1083 . 1 1 268 268 HIS C C 13 176.440 0.002 . 1 . . . . 864 HIS CO . 25355 1 1084 . 1 1 268 268 HIS CA C 13 59.406 0.008 . 1 . . . . 864 HIS CA . 25355 1 1085 . 1 1 268 268 HIS CB C 13 30.664 0.086 . 1 . . . . 864 HIS CB . 25355 1 1086 . 1 1 268 268 HIS N N 15 120.768 0.043 . 1 . . . . 864 HIS N . 25355 1 1087 . 1 1 269 269 GLN H H 1 8.455 0.006 . 1 . . . . 865 GLN HN . 25355 1 1088 . 1 1 269 269 GLN C C 13 176.800 0.011 . 1 . . . . 865 GLN CO . 25355 1 1089 . 1 1 269 269 GLN CA C 13 57.966 0.017 . 1 . . . . 865 GLN CA . 25355 1 1090 . 1 1 269 269 GLN CB C 13 27.122 0.089 . 1 . . . . 865 GLN CB . 25355 1 1091 . 1 1 269 269 GLN N N 15 117.363 0.033 . 1 . . . . 865 GLN N . 25355 1 1092 . 1 1 270 270 LEU H H 1 6.709 0.010 . 1 . . . . 866 LEU HN . 25355 1 1093 . 1 1 270 270 LEU C C 13 178.428 0.048 . 1 . . . . 866 LEU CO . 25355 1 1094 . 1 1 270 270 LEU CA C 13 56.764 0.041 . 1 . . . . 866 LEU CA . 25355 1 1095 . 1 1 270 270 LEU CB C 13 40.437 0.021 . 1 . . . . 866 LEU CB . 25355 1 1096 . 1 1 270 270 LEU N N 15 118.820 0.028 . 1 . . . . 866 LEU N . 25355 1 1097 . 1 1 271 271 MET H H 1 7.214 0.008 . 1 . . . . 867 MET HN . 25355 1 1098 . 1 1 271 271 MET C C 13 175.728 0.006 . 1 . . . . 867 MET CO . 25355 1 1099 . 1 1 271 271 MET CA C 13 60.020 0.049 . 1 . . . . 867 MET CA . 25355 1 1100 . 1 1 271 271 MET CB C 13 30.616 0.027 . 1 . . . . 867 MET CB . 25355 1 1101 . 1 1 271 271 MET N N 15 120.153 0.046 . 1 . . . . 867 MET N . 25355 1 1102 . 1 1 272 272 LEU H H 1 7.333 0.008 . 1 . . . . 868 LEU HN . 25355 1 1103 . 1 1 272 272 LEU C C 13 180.940 0.020 . 1 . . . . 868 LEU CO . 25355 1 1104 . 1 1 272 272 LEU CA C 13 57.056 0.114 . 1 . . . . 868 LEU CA . 25355 1 1105 . 1 1 272 272 LEU CB C 13 39.784 0.072 . 1 . . . . 868 LEU CB . 25355 1 1106 . 1 1 272 272 LEU N N 15 114.250 0.063 . 1 . . . . 868 LEU N . 25355 1 1107 . 1 1 273 273 ASP H H 1 7.886 0.007 . 1 . . . . 869 ASP HN . 25355 1 1108 . 1 1 273 273 ASP C C 13 179.054 0.000 . 1 . . . . 869 ASP CO . 25355 1 1109 . 1 1 273 273 ASP CA C 13 56.746 0.000 . 1 . . . . 869 ASP CA . 25355 1 1110 . 1 1 273 273 ASP CB C 13 39.216 0.000 . 1 . . . . 869 ASP CB . 25355 1 1111 . 1 1 273 273 ASP N N 15 121.716 0.023 . 1 . . . . 869 ASP N . 25355 1 1112 . 1 1 274 274 CYS C C 13 174.048 0.000 . 1 . . . . 870 CYS CO . 25355 1 1113 . 1 1 274 274 CYS CA C 13 63.600 0.000 . 1 . . . . 870 CYS CA . 25355 1 1114 . 1 1 274 274 CYS CB C 13 25.410 0.000 . 1 . . . . 870 CYS CB . 25355 1 1115 . 1 1 275 275 TRP H H 1 6.822 0.008 . 1 . . . . 871 TRP HN . 25355 1 1116 . 1 1 275 275 TRP C C 13 176.579 0.007 . 1 . . . . 871 TRP CO . 25355 1 1117 . 1 1 275 275 TRP CA C 13 51.951 0.004 . 1 . . . . 871 TRP CA . 25355 1 1118 . 1 1 275 275 TRP CB C 13 26.194 0.061 . 1 . . . . 871 TRP CB . 25355 1 1119 . 1 1 275 275 TRP N N 15 113.478 0.028 . 1 . . . . 871 TRP N . 25355 1 1120 . 1 1 276 276 GLN H H 1 6.876 0.008 . 1 . . . . 872 GLN HN . 25355 1 1121 . 1 1 276 276 GLN C C 13 177.616 0.002 . 1 . . . . 872 GLN CO . 25355 1 1122 . 1 1 276 276 GLN CA C 13 56.511 0.070 . 1 . . . . 872 GLN CA . 25355 1 1123 . 1 1 276 276 GLN CB C 13 27.979 0.004 . 1 . . . . 872 GLN CB . 25355 1 1124 . 1 1 276 276 GLN N N 15 119.487 0.023 . 1 . . . . 872 GLN N . 25355 1 1125 . 1 1 277 277 LYS H H 1 9.076 0.005 . 1 . . . . 873 LYS HN . 25355 1 1126 . 1 1 277 277 LYS C C 13 176.670 0.007 . 1 . . . . 873 LYS CO . 25355 1 1127 . 1 1 277 277 LYS CA C 13 59.933 0.154 . 1 . . . . 873 LYS CA . 25355 1 1128 . 1 1 277 277 LYS CB C 13 32.085 0.003 . 1 . . . . 873 LYS CB . 25355 1 1129 . 1 1 277 277 LYS N N 15 125.638 0.024 . 1 . . . . 873 LYS N . 25355 1 1130 . 1 1 278 278 ASP H H 1 8.456 0.009 . 1 . . . . 874 ASP HN . 25355 1 1131 . 1 1 278 278 ASP C C 13 177.667 0.008 . 1 . . . . 874 ASP CO . 25355 1 1132 . 1 1 278 278 ASP CA C 13 52.716 0.041 . 1 . . . . 874 ASP CA . 25355 1 1133 . 1 1 278 278 ASP CB C 13 39.915 0.004 . 1 . . . . 874 ASP CB . 25355 1 1134 . 1 1 278 278 ASP N N 15 118.065 0.026 . 1 . . . . 874 ASP N . 25355 1 1135 . 1 1 279 279 ARG H H 1 8.615 0.003 . 1 . . . . 875 ARG HN . 25355 1 1136 . 1 1 279 279 ARG C C 13 177.171 0.012 . 1 . . . . 875 ARG CO . 25355 1 1137 . 1 1 279 279 ARG CA C 13 57.966 0.007 . 1 . . . . 875 ARG CA . 25355 1 1138 . 1 1 279 279 ARG CB C 13 28.587 0.047 . 1 . . . . 875 ARG CB . 25355 1 1139 . 1 1 279 279 ARG N N 15 127.079 0.039 . 1 . . . . 875 ARG N . 25355 1 1140 . 1 1 280 280 ASN H H 1 8.676 0.008 . 1 . . . . 876 ASN HN . 25355 1 1141 . 1 1 280 280 ASN C C 13 175.743 0.000 . 1 . . . . 876 ASN CO . 25355 1 1142 . 1 1 280 280 ASN CA C 13 54.646 0.000 . 1 . . . . 876 ASN CA . 25355 1 1143 . 1 1 280 280 ASN CB C 13 37.454 0.000 . 1 . . . . 876 ASN CB . 25355 1 1144 . 1 1 280 280 ASN N N 15 118.498 0.059 . 1 . . . . 876 ASN N . 25355 1 1145 . 1 1 281 281 HIS C C 13 175.546 0.000 . 1 . . . . 877 HIS CO . 25355 1 1146 . 1 1 281 281 HIS CA C 13 54.287 0.000 . 1 . . . . 877 HIS CA . 25355 1 1147 . 1 1 281 281 HIS CB C 13 30.606 0.000 . 1 . . . . 877 HIS CB . 25355 1 1148 . 1 1 282 282 ARG H H 1 6.802 0.006 . 1 . . . . 878 ARG HN . 25355 1 1149 . 1 1 282 282 ARG C C 13 173.752 0.000 . 1 . . . . 878 ARG CO . 25355 1 1150 . 1 1 282 282 ARG CB C 13 28.753 0.000 . 1 . . . . 878 ARG CB . 25355 1 1151 . 1 1 282 282 ARG N N 15 119.804 0.042 . 1 . . . . 878 ARG N . 25355 1 1152 . 1 1 283 283 PRO C C 13 175.717 0.000 . 1 . . . . 879 PRO CO . 25355 1 1153 . 1 1 283 283 PRO CA C 13 61.844 0.000 . 1 . . . . 879 PRO CA . 25355 1 1154 . 1 1 283 283 PRO CB C 13 30.820 0.000 . 1 . . . . 879 PRO CB . 25355 1 1155 . 1 1 284 284 LYS H H 1 8.031 0.007 . 1 . . . . 880 LYS HN . 25355 1 1156 . 1 1 284 284 LYS C C 13 179.577 0.022 . 1 . . . . 880 LYS CO . 25355 1 1157 . 1 1 284 284 LYS CA C 13 54.181 0.040 . 1 . . . . 880 LYS CA . 25355 1 1158 . 1 1 284 284 LYS CB C 13 32.377 0.046 . 1 . . . . 880 LYS CB . 25355 1 1159 . 1 1 284 284 LYS N N 15 117.646 0.025 . 1 . . . . 880 LYS N . 25355 1 1160 . 1 1 285 285 PHE H H 1 9.456 0.016 . 1 . . . . 881 PHE HN . 25355 1 1161 . 1 1 285 285 PHE C C 13 178.593 0.002 . 1 . . . . 881 PHE CO . 25355 1 1162 . 1 1 285 285 PHE CA C 13 63.974 0.002 . 1 . . . . 881 PHE CA . 25355 1 1163 . 1 1 285 285 PHE CB C 13 36.900 0.072 . 1 . . . . 881 PHE CB . 25355 1 1164 . 1 1 285 285 PHE N N 15 120.483 0.054 . 1 . . . . 881 PHE N . 25355 1 1165 . 1 1 286 286 GLY H H 1 9.134 0.007 . 1 . . . . 882 GLY HN . 25355 1 1166 . 1 1 286 286 GLY C C 13 176.118 0.038 . 1 . . . . 882 GLY CO . 25355 1 1167 . 1 1 286 286 GLY CA C 13 46.978 0.014 . 1 . . . . 882 GLY CA . 25355 1 1168 . 1 1 286 286 GLY N N 15 106.129 0.036 . 1 . . . . 882 GLY N . 25355 1 1169 . 1 1 287 287 GLN H H 1 6.785 0.009 . 1 . . . . 883 GLN HN . 25355 1 1170 . 1 1 287 287 GLN C C 13 178.956 0.024 . 1 . . . . 883 GLN CO . 25355 1 1171 . 1 1 287 287 GLN CA C 13 57.628 0.121 . 1 . . . . 883 GLN CA . 25355 1 1172 . 1 1 287 287 GLN CB C 13 28.004 0.000 . 1 . . . . 883 GLN CB . 25355 1 1173 . 1 1 287 287 GLN N N 15 121.194 0.044 . 1 . . . . 883 GLN N . 25355 1 1174 . 1 1 288 288 ILE H H 1 7.741 0.004 . 1 . . . . 884 ILE HN . 25355 1 1175 . 1 1 288 288 ILE C C 13 177.526 0.006 . 1 . . . . 884 ILE CO . 25355 1 1176 . 1 1 288 288 ILE CA C 13 66.137 0.041 . 1 . . . . 884 ILE CA . 25355 1 1177 . 1 1 288 288 ILE CB C 13 36.985 0.010 . 1 . . . . 884 ILE CB . 25355 1 1178 . 1 1 288 288 ILE N N 15 123.288 0.067 . 1 . . . . 884 ILE N . 25355 1 1179 . 1 1 289 289 VAL H H 1 8.175 0.004 . 1 . . . . 885 VAL HN . 25355 1 1180 . 1 1 289 289 VAL C C 13 177.012 0.003 . 1 . . . . 885 VAL CO . 25355 1 1181 . 1 1 289 289 VAL CA C 13 67.428 0.009 . 1 . . . . 885 VAL CA . 25355 1 1182 . 1 1 289 289 VAL CB C 13 30.878 0.032 . 1 . . . . 885 VAL CB . 25355 1 1183 . 1 1 289 289 VAL N N 15 118.757 0.035 . 1 . . . . 885 VAL N . 25355 1 1184 . 1 1 290 290 ASN H H 1 7.409 0.004 . 1 . . . . 886 ASN HN . 25355 1 1185 . 1 1 290 290 ASN C C 13 177.971 0.009 . 1 . . . . 886 ASN CO . 25355 1 1186 . 1 1 290 290 ASN CA C 13 56.071 0.036 . 1 . . . . 886 ASN CA . 25355 1 1187 . 1 1 290 290 ASN CB C 13 37.984 0.063 . 1 . . . . 886 ASN CB . 25355 1 1188 . 1 1 290 290 ASN N N 15 115.910 0.055 . 1 . . . . 886 ASN N . 25355 1 1189 . 1 1 291 291 THR H H 1 8.390 0.006 . 1 . . . . 887 THR HN . 25355 1 1190 . 1 1 291 291 THR C C 13 176.326 0.000 . 1 . . . . 887 THR CO . 25355 1 1191 . 1 1 291 291 THR CA C 13 66.885 0.030 . 1 . . . . 887 THR CA . 25355 1 1192 . 1 1 291 291 THR CB C 13 68.229 0.046 . 1 . . . . 887 THR CB . 25355 1 1193 . 1 1 291 291 THR N N 15 119.448 0.048 . 1 . . . . 887 THR N . 25355 1 1194 . 1 1 292 292 LEU H H 1 8.344 0.005 . 1 . . . . 888 LEU HN . 25355 1 1195 . 1 1 292 292 LEU C C 13 178.992 0.042 . 1 . . . . 888 LEU CO . 25355 1 1196 . 1 1 292 292 LEU CA C 13 57.700 0.011 . 1 . . . . 888 LEU CA . 25355 1 1197 . 1 1 292 292 LEU CB C 13 40.362 0.024 . 1 . . . . 888 LEU CB . 25355 1 1198 . 1 1 292 292 LEU N N 15 122.903 0.028 . 1 . . . . 888 LEU N . 25355 1 1199 . 1 1 293 293 ASP H H 1 8.654 0.005 . 1 . . . . 889 ASP HN . 25355 1 1200 . 1 1 293 293 ASP C C 13 179.320 0.013 . 1 . . . . 889 ASP CO . 25355 1 1201 . 1 1 293 293 ASP CA C 13 57.353 0.076 . 1 . . . . 889 ASP CA . 25355 1 1202 . 1 1 293 293 ASP CB C 13 39.387 0.000 . 1 . . . . 889 ASP CB . 25355 1 1203 . 1 1 293 293 ASP N N 15 120.030 0.039 . 1 . . . . 889 ASP N . 25355 1 1204 . 1 1 294 294 LYS H H 1 7.644 0.004 . 1 . . . . 890 LYS HN . 25355 1 1205 . 1 1 294 294 LYS C C 13 179.040 0.019 . 1 . . . . 890 LYS CO . 25355 1 1206 . 1 1 294 294 LYS CA C 13 59.447 0.028 . 1 . . . . 890 LYS CA . 25355 1 1207 . 1 1 294 294 LYS CB C 13 31.212 0.092 . 1 . . . . 890 LYS CB . 25355 1 1208 . 1 1 294 294 LYS N N 15 120.377 0.041 . 1 . . . . 890 LYS N . 25355 1 1209 . 1 1 295 295 MET H H 1 7.461 0.007 . 1 . . . . 891 MET HN . 25355 1 1210 . 1 1 295 295 MET C C 13 176.864 0.014 . 1 . . . . 891 MET CO . 25355 1 1211 . 1 1 295 295 MET CA C 13 58.829 0.038 . 1 . . . . 891 MET CA . 25355 1 1212 . 1 1 295 295 MET CB C 13 31.789 0.072 . 1 . . . . 891 MET CB . 25355 1 1213 . 1 1 295 295 MET N N 15 119.486 0.009 . 1 . . . . 891 MET N . 25355 1 1214 . 1 1 296 296 ILE H H 1 7.676 0.007 . 1 . . . . 892 ILE HN . 25355 1 1215 . 1 1 296 296 ILE C C 13 177.673 0.032 . 1 . . . . 892 ILE CO . 25355 1 1216 . 1 1 296 296 ILE CA C 13 63.916 0.014 . 1 . . . . 892 ILE CA . 25355 1 1217 . 1 1 296 296 ILE CB C 13 37.572 0.001 . 1 . . . . 892 ILE CB . 25355 1 1218 . 1 1 296 296 ILE N N 15 116.947 0.063 . 1 . . . . 892 ILE N . 25355 1 1219 . 1 1 297 297 ARG H H 1 7.571 0.004 . 1 . . . . 893 ARG HN . 25355 1 1220 . 1 1 297 297 ARG C C 13 176.086 0.027 . 1 . . . . 893 ARG CO . 25355 1 1221 . 1 1 297 297 ARG CA C 13 57.004 0.026 . 1 . . . . 893 ARG CA . 25355 1 1222 . 1 1 297 297 ARG CB C 13 29.864 0.041 . 1 . . . . 893 ARG CB . 25355 1 1223 . 1 1 297 297 ARG N N 15 116.594 0.042 . 1 . . . . 893 ARG N . 25355 1 1224 . 1 1 298 298 ASN H H 1 7.389 0.007 . 1 . . . . 894 ASN HN . 25355 1 1225 . 1 1 298 298 ASN C C 13 172.766 0.000 . 1 . . . . 894 ASN CO . 25355 1 1226 . 1 1 298 298 ASN CA C 13 50.394 0.000 . 1 . . . . 894 ASN CA . 25355 1 1227 . 1 1 298 298 ASN CB C 13 38.619 0.000 . 1 . . . . 894 ASN CB . 25355 1 1228 . 1 1 298 298 ASN N N 15 116.502 0.024 . 1 . . . . 894 ASN N . 25355 1 1229 . 1 1 300 300 ASN C C 13 177.704 0.000 . 1 . . . . 896 ASN CO . 25355 1 1230 . 1 1 300 300 ASN CA C 13 55.253 0.000 . 1 . . . . 896 ASN CA . 25355 1 1231 . 1 1 300 300 ASN CB C 13 37.063 0.000 . 1 . . . . 896 ASN CB . 25355 1 1232 . 1 1 301 301 SER H H 1 8.378 0.004 . 1 . . . . 897 SER HN . 25355 1 1233 . 1 1 301 301 SER C C 13 175.235 0.000 . 1 . . . . 897 SER CO . 25355 1 1234 . 1 1 301 301 SER CA C 13 60.308 0.002 . 1 . . . . 897 SER CA . 25355 1 1235 . 1 1 301 301 SER CB C 13 63.142 0.004 . 1 . . . . 897 SER CB . 25355 1 1236 . 1 1 301 301 SER N N 15 116.602 0.090 . 1 . . . . 897 SER N . 25355 1 1237 . 1 1 302 302 LEU H H 1 7.437 0.004 . 1 . . . . 898 LEU HN . 25355 1 1238 . 1 1 302 302 LEU C C 13 176.048 0.061 . 1 . . . . 898 LEU CO . 25355 1 1239 . 1 1 302 302 LEU CA C 13 54.375 0.051 . 1 . . . . 898 LEU CA . 25355 1 1240 . 1 1 302 302 LEU CB C 13 40.834 0.004 . 1 . . . . 898 LEU CB . 25355 1 1241 . 1 1 302 302 LEU N N 15 121.664 0.014 . 1 . . . . 898 LEU N . 25355 1 1242 . 1 1 303 303 LYS H H 1 7.251 0.007 . 1 . . . . 899 LYS HN . 25355 1 1243 . 1 1 303 303 LYS C C 13 176.327 0.018 . 1 . . . . 899 LYS CO . 25355 1 1244 . 1 1 303 303 LYS CA C 13 56.374 0.010 . 1 . . . . 899 LYS CA . 25355 1 1245 . 1 1 303 303 LYS CB C 13 32.472 0.063 . 1 . . . . 899 LYS CB . 25355 1 1246 . 1 1 303 303 LYS N N 15 119.411 0.048 . 1 . . . . 899 LYS N . 25355 1 1247 . 1 1 304 304 ALA H H 1 7.930 0.006 . 1 . . . . 900 ALA HN . 25355 1 1248 . 1 1 304 304 ALA C C 13 177.594 0.010 . 1 . . . . 900 ALA CO . 25355 1 1249 . 1 1 304 304 ALA CA C 13 52.117 0.022 . 1 . . . . 900 ALA CA . 25355 1 1250 . 1 1 304 304 ALA CB C 13 18.106 0.022 . 1 . . . . 900 ALA CB . 25355 1 1251 . 1 1 304 304 ALA N N 15 123.975 0.044 . 1 . . . . 900 ALA N . 25355 1 1252 . 1 1 305 305 MET H H 1 8.415 0.011 . 1 . . . . 901 MET HN . 25355 1 1253 . 1 1 305 305 MET C C 13 175.700 0.007 . 1 . . . . 901 MET CO . 25355 1 1254 . 1 1 305 305 MET CA C 13 54.417 0.008 . 1 . . . . 901 MET CA . 25355 1 1255 . 1 1 305 305 MET CB C 13 32.763 0.043 . 1 . . . . 901 MET CB . 25355 1 1256 . 1 1 305 305 MET N N 15 122.240 0.024 . 1 . . . . 901 MET N . 25355 1 1257 . 1 1 306 306 ALA H H 1 8.246 0.008 . 1 . . . . 902 ALA HN . 25355 1 1258 . 1 1 306 306 ALA C C 13 175.330 0.000 . 1 . . . . 902 ALA CO . 25355 1 1259 . 1 1 306 306 ALA CA C 13 50.185 0.000 . 1 . . . . 902 ALA CA . 25355 1 1260 . 1 1 306 306 ALA CB C 13 17.387 0.000 . 1 . . . . 902 ALA CB . 25355 1 1261 . 1 1 306 306 ALA N N 15 126.935 0.018 . 1 . . . . 902 ALA N . 25355 1 1262 . 1 1 307 307 PRO C C 13 176.802 0.000 . 1 . . . . 903 PRO CO . 25355 1 1263 . 1 1 307 307 PRO CA C 13 62.401 0.000 . 1 . . . . 903 PRO CA . 25355 1 1264 . 1 1 307 307 PRO CB C 13 31.250 0.000 . 1 . . . . 903 PRO CB . 25355 1 1265 . 1 1 308 308 LEU H H 1 8.285 0.009 . 1 . . . . 904 LEU HN . 25355 1 1266 . 1 1 308 308 LEU C C 13 177.579 0.016 . 1 . . . . 904 LEU CO . 25355 1 1267 . 1 1 308 308 LEU CA C 13 54.894 0.032 . 1 . . . . 904 LEU CA . 25355 1 1268 . 1 1 308 308 LEU CB C 13 41.297 0.033 . 1 . . . . 904 LEU CB . 25355 1 1269 . 1 1 308 308 LEU N N 15 122.827 0.018 . 1 . . . . 904 LEU N . 25355 1 1270 . 1 1 309 309 SER H H 1 8.197 0.009 . 1 . . . . 905 SER HN . 25355 1 1271 . 1 1 309 309 SER C C 13 173.569 0.006 . 1 . . . . 905 SER CO . 25355 1 1272 . 1 1 309 309 SER CA C 13 57.762 0.005 . 1 . . . . 905 SER CA . 25355 1 1273 . 1 1 309 309 SER CB C 13 63.510 0.055 . 1 . . . . 905 SER CB . 25355 1 1274 . 1 1 309 309 SER N N 15 117.330 0.051 . 1 . . . . 905 SER N . 25355 1 1275 . 1 1 310 310 SER H H 1 7.901 0.009 . 1 . . . . 906 SER HN . 25355 1 1276 . 1 1 310 310 SER C C 13 178.582 0.000 . 1 . . . . 906 SER CO . 25355 1 1277 . 1 1 310 310 SER CA C 13 59.646 0.000 . 1 . . . . 906 SER CA . 25355 1 1278 . 1 1 310 310 SER CB C 13 64.273 0.000 . 1 . . . . 906 SER CB . 25355 1 1279 . 1 1 310 310 SER N N 15 123.715 0.085 . 1 . . . . 906 SER N . 25355 1 stop_ save_