################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name StREM13_160-198 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' . . . 52390 1 2 '2D 1H-1H TOCSY' . . . 52390 1 3 '2D 1H-1H NOESY' . . . 52390 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52390 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLU H H 1 8.309 0.0 . 1 . . 515 . . 1 GLU H . 52390 1 2 . 1 . 1 1 1 GLU HA H 1 4.159 0.003 . 1 . . 517 . . 1 GLU HA . 52390 1 3 . 1 . 1 1 1 GLU HB2 H 1 1.900 0.002 . 2 . . 519 . . 1 GLU HB2 . 52390 1 4 . 1 . 1 1 1 GLU HB3 H 1 1.986 0.003 . 2 . . 520 . . 1 GLU HB3 . 52390 1 5 . 1 . 1 1 1 GLU HG2 H 1 2.375 0.008 . 1 . . 518 . . 1 GLU HG2 . 52390 1 6 . 1 . 1 1 1 GLU N N 15 126.009 . . 1 . . 516 . . 1 GLU N . 52390 1 7 . 1 . 1 2 2 GLU H H 1 8.198 0.001 . 1 . . 720 . . 2 GLU H . 52390 1 8 . 1 . 1 2 2 GLU HA H 1 4.180 0.002 . 1 . . 874 . . 2 GLU HA . 52390 1 9 . 1 . 1 2 2 GLU HB2 H 1 2.017 0.009 . 1 . . 1024 . . 2 GLU HB2 . 52390 1 10 . 1 . 1 2 2 GLU HG2 H 1 2.390 0.005 . 1 . . 1025 . . 2 GLU HG2 . 52390 1 11 . 1 . 1 2 2 GLU N N 15 120.920 . . 1 . . 721 . . 2 GLU N . 52390 1 12 . 1 . 1 3 3 LYS H H 1 8.182 0.001 . 1 . . 858 . . 3 LYS H . 52390 1 13 . 1 . 1 3 3 LYS HA H 1 4.167 0.002 . 1 . . 871 . . 3 LYS HA . 52390 1 14 . 1 . 1 3 3 LYS HB2 H 1 1.745 0.002 . 1 . . 869 . . 3 LYS HB2 . 52390 1 15 . 1 . 1 3 3 LYS HG2 H 1 1.312 0.001 . 2 . . 882 . . 3 LYS HG2 . 52390 1 16 . 1 . 1 3 3 LYS HG3 H 1 1.385 0.006 . 2 . . 883 . . 3 LYS HG3 . 52390 1 17 . 1 . 1 3 3 LYS HD2 H 1 1.618 0.001 . 1 . . 870 . . 3 LYS HD2 . 52390 1 18 . 1 . 1 3 3 LYS HE2 H 1 2.913 0.001 . 1 . . 859 . . 3 LYS HE2 . 52390 1 19 . 1 . 1 3 3 LYS HZ1 H 1 7.457 0.001 . 1 . . 872 . . 3 LYS HZ1 . 52390 1 20 . 1 . 1 3 3 LYS HZ2 H 1 7.457 0.001 . 1 . . 872 . . 3 LYS HZ2 . 52390 1 21 . 1 . 1 3 3 LYS HZ3 H 1 7.457 0.001 . 1 . . 872 . . 3 LYS HZ3 . 52390 1 22 . 1 . 1 3 3 LYS N N 15 122.184 . . 1 . . 711 . . 3 LYS N . 52390 1 23 . 1 . 1 4 4 ARG H H 1 8.132 0.003 . 1 . . 678 . . 4 ARG H . 52390 1 24 . 1 . 1 4 4 ARG HA H 1 4.147 0.001 . 1 . . 682 . . 4 ARG HA . 52390 1 25 . 1 . 1 4 4 ARG HB2 H 1 1.765 0.004 . 2 . . 679 . . 4 ARG HB2 . 52390 1 26 . 1 . 1 4 4 ARG HB3 H 1 1.720 0.001 . 2 . . 680 . . 4 ARG HB3 . 52390 1 27 . 1 . 1 4 4 ARG HG2 H 1 1.537 0.0 . 2 . . 677 . . 4 ARG HG2 . 52390 1 28 . 1 . 1 4 4 ARG HG3 H 1 1.594 0.001 . 2 . . 681 . . 4 ARG HG3 . 52390 1 29 . 1 . 1 4 4 ARG HD2 H 1 3.120 0.003 . 1 . . 683 . . 4 ARG HD2 . 52390 1 30 . 1 . 1 4 4 ARG HE H 1 7.126 0.004 . 1 . . 684 . . 4 ARG HE . 52390 1 31 . 1 . 1 4 4 ARG N N 15 121.518 . . 1 . . 699 . . 4 ARG N . 52390 1 32 . 1 . 1 5 5 ALA H H 1 8.203 0.002 . 1 . . 654 . . 5 ALA H . 52390 1 33 . 1 . 1 5 5 ALA HA H 1 4.178 0.001 . 1 . . 728 . . 5 ALA HA . 52390 1 34 . 1 . 1 5 5 ALA HB1 H 1 1.323 0.004 . 1 . . 655 . . 5 ALA HB1 . 52390 1 35 . 1 . 1 5 5 ALA HB2 H 1 1.323 0.004 . 1 . . 655 . . 5 ALA HB2 . 52390 1 36 . 1 . 1 5 5 ALA HB3 H 1 1.323 0.004 . 1 . . 655 . . 5 ALA HB3 . 52390 1 37 . 1 . 1 5 5 ALA N N 15 124.149 . . 1 . . 702 . . 5 ALA N . 52390 1 38 . 1 . 1 6 6 MET H H 1 8.127 0.002 . 1 . . 605 . . 6 MET H . 52390 1 39 . 1 . 1 6 6 MET HA H 1 4.326 0.005 . 1 . . 603 . . 6 MET HA . 52390 1 40 . 1 . 1 6 6 MET HB2 H 1 2.002 0.006 . 1 . . 606 . . 6 MET HB2 . 52390 1 41 . 1 . 1 6 6 MET HG2 H 1 2.549 0.002 . 2 . . 602 . . 6 MET HG2 . 52390 1 42 . 1 . 1 6 6 MET HG3 H 1 2.468 0.006 . 2 . . 604 . . 6 MET HG3 . 52390 1 43 . 1 . 1 6 6 MET N N 15 119.617 . . 1 . . 700 . . 6 MET N . 52390 1 44 . 1 . 1 7 7 ILE H H 1 7.992 0.002 . 1 . . 566 . . 7 ILE H . 52390 1 45 . 1 . 1 7 7 ILE HA H 1 3.968 0.003 . 1 . . 565 . . 7 ILE HA . 52390 1 46 . 1 . 1 7 7 ILE HB H 1 1.799 0.005 . 1 . . 567 . . 7 ILE HB . 52390 1 47 . 1 . 1 7 7 ILE HG12 H 1 1.438 0.004 . 1 . . 569 . . 7 ILE HG12 . 52390 1 48 . 1 . 1 7 7 ILE HG13 H 1 0.819 0.004 . 1 . . 570 . . 7 ILE HG13 . 52390 1 49 . 1 . 1 7 7 ILE HG21 H 1 1.110 0.006 . 1 . . 571 . . 7 ILE HG21 . 52390 1 50 . 1 . 1 7 7 ILE HG22 H 1 1.110 0.006 . 1 . . 571 . . 7 ILE HG22 . 52390 1 51 . 1 . 1 7 7 ILE HG23 H 1 1.110 0.006 . 1 . . 571 . . 7 ILE HG23 . 52390 1 52 . 1 . 1 7 7 ILE HD11 H 1 0.768 0.008 . 1 . . 873 . . 7 ILE HD11 . 52390 1 53 . 1 . 1 7 7 ILE HD12 H 1 0.768 0.008 . 1 . . 873 . . 7 ILE HD12 . 52390 1 54 . 1 . 1 7 7 ILE HD13 H 1 0.768 0.008 . 1 . . 873 . . 7 ILE HD13 . 52390 1 55 . 1 . 1 7 7 ILE N N 15 122.114 . . 1 . . 701 . . 7 ILE N . 52390 1 56 . 1 . 1 8 8 GLU H H 1 8.277 0.002 . 1 . . 664 . . 8 GLU H . 52390 1 57 . 1 . 1 8 8 GLU HA H 1 4.201 0.004 . 1 . . 666 . . 8 GLU HA . 52390 1 58 . 1 . 1 8 8 GLU HB2 H 1 1.917 0.002 . 2 . . 729 . . 8 GLU HB2 . 52390 1 59 . 1 . 1 8 8 GLU HB3 H 1 2.008 0.003 . 2 . . 730 . . 8 GLU HB3 . 52390 1 60 . 1 . 1 8 8 GLU HG2 H 1 2.382 0.003 . 1 . . 716 . . 8 GLU HG2 . 52390 1 61 . 1 . 1 8 8 GLU N N 15 123.483 . . 1 . . 665 . . 8 GLU N . 52390 1 62 . 1 . 1 9 9 ALA H H 1 8.161 0.005 . 1 . . 703 . . 9 ALA H . 52390 1 63 . 1 . 1 9 9 ALA HA H 1 4.187 0.001 . 1 . . 706 . . 9 ALA HA . 52390 1 64 . 1 . 1 9 9 ALA HB1 H 1 1.337 0.006 . 1 . . 704 . . 9 ALA HB1 . 52390 1 65 . 1 . 1 9 9 ALA HB2 H 1 1.337 0.006 . 1 . . 704 . . 9 ALA HB2 . 52390 1 66 . 1 . 1 9 9 ALA HB3 H 1 1.337 0.006 . 1 . . 704 . . 9 ALA HB3 . 52390 1 67 . 1 . 1 9 9 ALA N N 15 124.905 . . 1 . . 705 . . 9 ALA N . 52390 1 68 . 1 . 1 10 10 LYS H H 1 8.093 0.003 . 1 . . 660 . . 10 LYS H . 52390 1 69 . 1 . 1 10 10 LYS HA H 1 4.172 0.002 . 1 . . 661 . . 10 LYS HA . 52390 1 70 . 1 . 1 10 10 LYS HB2 H 1 1.759 0.001 . 2 . . 662 . . 10 LYS HB2 . 52390 1 71 . 1 . 1 10 10 LYS HB3 H 1 1.717 0.004 . 2 . . 894 . . 10 LYS HB3 . 52390 1 72 . 1 . 1 10 10 LYS HD2 H 1 1.597 0.004 . 1 . . 663 . . 10 LYS HD2 . 52390 1 73 . 1 . 1 10 10 LYS HE2 H 1 2.914 0.0 . 1 . . 724 . . 10 LYS HE2 . 52390 1 74 . 1 . 1 10 10 LYS HZ1 H 1 7.455 0.003 . 1 . . 867 . . 10 LYS HZ1 . 52390 1 75 . 1 . 1 10 10 LYS HZ2 H 1 7.455 0.003 . 1 . . 867 . . 10 LYS HZ2 . 52390 1 76 . 1 . 1 10 10 LYS HZ3 H 1 7.455 0.003 . 1 . . 867 . . 10 LYS HZ3 . 52390 1 77 . 1 . 1 10 10 LYS N N 15 120.228 . . 1 . . 586 . . 10 LYS N . 52390 1 78 . 1 . 1 11 11 ARG H H 1 8.209 0.003 . 1 . . 685 . . 11 ARG H . 52390 1 79 . 1 . 1 11 11 ARG HA H 1 4.223 0.003 . 1 . . 686 . . 11 ARG HA . 52390 1 80 . 1 . 1 11 11 ARG HB2 H 1 1.804 0.002 . 2 . . 689 . . 11 ARG HB2 . 52390 1 81 . 1 . 1 11 11 ARG HB3 H 1 1.749 0.0 . 2 . . 727 . . 11 ARG HB3 . 52390 1 82 . 1 . 1 11 11 ARG HG2 H 1 1.620 0.002 . 2 . . 690 . . 11 ARG HG2 . 52390 1 83 . 1 . 1 11 11 ARG HG3 H 1 1.565 0.004 . 2 . . 980 . . 11 ARG HG3 . 52390 1 84 . 1 . 1 11 11 ARG HD2 H 1 3.129 0.002 . 1 . . 688 . . 11 ARG HD2 . 52390 1 85 . 1 . 1 11 11 ARG HE H 1 7.143 0.001 . 1 . . 687 . . 11 ARG HE . 52390 1 86 . 1 . 1 11 11 ARG N N 15 121.387 . . 1 . . 698 . . 11 ARG N . 52390 1 87 . 1 . 1 12 12 GLY H H 1 8.361 0.007 . 1 . . 512 . . 12 GLY H . 52390 1 88 . 1 . 1 12 12 GLY HA2 H 1 3.877 0.006 . 1 . . 513 . . 12 GLY HA2 . 52390 1 89 . 1 . 1 12 12 GLY N N 15 109.196 . . 1 . . 514 . . 12 GLY N . 52390 1 90 . 1 . 1 13 13 GLU H H 1 8.446 0.005 . 1 . . 507 . . 13 GLU H . 52390 1 91 . 1 . 1 13 13 GLU HA H 1 4.224 0.006 . 1 . . 983 . . 13 GLU HA . 52390 1 92 . 1 . 1 13 13 GLU HB2 H 1 1.925 0.0 . 2 . . 510 . . 13 GLU HB2 . 52390 1 93 . 1 . 1 13 13 GLU HB3 H 1 2.005 0.003 . 2 . . 511 . . 13 GLU HB3 . 52390 1 94 . 1 . 1 13 13 GLU HG2 H 1 2.387 0.002 . 1 . . 509 . . 13 GLU HG2 . 52390 1 95 . 1 . 1 13 13 GLU N N 15 120.893 . . 1 . . 508 . . 13 GLU N . 52390 1 96 . 1 . 1 14 14 ASP H H 1 8.423 0.005 . 1 . . 594 . . 14 ASP H . 52390 1 97 . 1 . 1 14 14 ASP HA H 1 4.482 0.006 . 1 . . 596 . . 14 ASP HA . 52390 1 98 . 1 . 1 14 14 ASP HB2 H 1 2.759 0.007 . 1 . . 595 . . 14 ASP HB2 . 52390 1 99 . 1 . 1 14 14 ASP N N 15 120.137 . . 1 . . 597 . . 14 ASP N . 52390 1 100 . 1 . 1 15 15 LEU H H 1 8.005 0.003 . 1 . . 691 . . 15 LEU H . 52390 1 101 . 1 . 1 15 15 LEU HA H 1 4.138 0.002 . 1 . . 693 . . 15 LEU HA . 52390 1 102 . 1 . 1 15 15 LEU HB2 H 1 1.570 0.002 . 1 . . 694 . . 15 LEU HB2 . 52390 1 103 . 1 . 1 15 15 LEU HD11 H 1 0.789 0.002 . 2 . . 725 . . 15 LEU HD11 . 52390 1 104 . 1 . 1 15 15 LEU HD12 H 1 0.789 0.002 . 2 . . 725 . . 15 LEU HD12 . 52390 1 105 . 1 . 1 15 15 LEU HD13 H 1 0.789 0.002 . 2 . . 725 . . 15 LEU HD13 . 52390 1 106 . 1 . 1 15 15 LEU HD21 H 1 0.844 0.004 . 2 . . 726 . . 15 LEU HD21 . 52390 1 107 . 1 . 1 15 15 LEU HD22 H 1 0.844 0.004 . 2 . . 726 . . 15 LEU HD22 . 52390 1 108 . 1 . 1 15 15 LEU HD23 H 1 0.844 0.004 . 2 . . 726 . . 15 LEU HD23 . 52390 1 109 . 1 . 1 15 15 LEU N N 15 123.076 . . 1 . . 692 . . 15 LEU N . 52390 1 110 . 1 . 1 16 16 LEU H H 1 7.820 0.003 . 1 . . 879 . . 16 LEU H . 52390 1 111 . 1 . 1 16 16 LEU HA H 1 4.120 0.0 . 1 . . 885 . . 16 LEU HA . 52390 1 112 . 1 . 1 16 16 LEU HB2 H 1 1.586 0.001 . 2 . . 895 . . 16 LEU HB2 . 52390 1 113 . 1 . 1 16 16 LEU HB3 H 1 1.630 0.002 . 2 . . 1082 . . 16 LEU HB3 . 52390 1 114 . 1 . 1 16 16 LEU HG H 1 1.555 0.002 . 1 . . 1083 . . 16 LEU HG . 52390 1 115 . 1 . 1 16 16 LEU HD11 H 1 0.794 0.005 . 2 . . 880 . . 16 LEU HD11 . 52390 1 116 . 1 . 1 16 16 LEU HD12 H 1 0.794 0.005 . 2 . . 880 . . 16 LEU HD12 . 52390 1 117 . 1 . 1 16 16 LEU HD13 H 1 0.794 0.005 . 2 . . 880 . . 16 LEU HD13 . 52390 1 118 . 1 . 1 16 16 LEU HD21 H 1 0.842 0.005 . 2 . . 881 . . 16 LEU HD21 . 52390 1 119 . 1 . 1 16 16 LEU HD22 H 1 0.842 0.005 . 2 . . 881 . . 16 LEU HD22 . 52390 1 120 . 1 . 1 16 16 LEU HD23 H 1 0.842 0.005 . 2 . . 881 . . 16 LEU HD23 . 52390 1 121 . 1 . 1 16 16 LEU N N 15 120.800 . . 1 . . 884 . . 16 LEU N . 52390 1 122 . 1 . 1 17 17 LYS H H 1 7.940 0.001 . 1 . . 533 . . 17 LYS H . 52390 1 123 . 1 . 1 17 17 LYS HA H 1 4.027 0.002 . 1 . . 538 . . 17 LYS HA . 52390 1 124 . 1 . 1 17 17 LYS HB2 H 1 1.774 0.003 . 1 . . 537 . . 17 LYS HB2 . 52390 1 125 . 1 . 1 17 17 LYS HG2 H 1 1.363 0.003 . 2 . . 860 . . 17 LYS HG2 . 52390 1 126 . 1 . 1 17 17 LYS HG3 H 1 1.458 0.014 . 2 . . 861 . . 17 LYS HG3 . 52390 1 127 . 1 . 1 17 17 LYS HD2 H 1 1.631 0.005 . 1 . . 536 . . 17 LYS HD2 . 52390 1 128 . 1 . 1 17 17 LYS HE2 H 1 2.911 0.004 . 1 . . 535 . . 17 LYS HE2 . 52390 1 129 . 1 . 1 17 17 LYS HZ1 H 1 7.463 0.001 . 1 . . 868 . . 17 LYS HZ1 . 52390 1 130 . 1 . 1 17 17 LYS HZ2 H 1 7.463 0.001 . 1 . . 868 . . 17 LYS HZ2 . 52390 1 131 . 1 . 1 17 17 LYS HZ3 H 1 7.463 0.001 . 1 . . 868 . . 17 LYS HZ3 . 52390 1 132 . 1 . 1 17 17 LYS N N 15 119.828 . . 1 . . 534 . . 17 LYS N . 52390 1 133 . 1 . 1 18 18 ALA H H 1 7.922 0.006 . 1 . . 640 . . 18 ALA H . 52390 1 134 . 1 . 1 18 18 ALA HA H 1 4.099 0.003 . 1 . . 643 . . 18 ALA HA . 52390 1 135 . 1 . 1 18 18 ALA HB1 H 1 1.400 0.005 . 1 . . 641 . . 18 ALA HB1 . 52390 1 136 . 1 . 1 18 18 ALA HB2 H 1 1.400 0.005 . 1 . . 641 . . 18 ALA HB2 . 52390 1 137 . 1 . 1 18 18 ALA HB3 H 1 1.400 0.005 . 1 . . 641 . . 18 ALA HB3 . 52390 1 138 . 1 . 1 18 18 ALA N N 15 122.255 . . 1 . . 642 . . 18 ALA N . 52390 1 139 . 1 . 1 19 19 GLU H H 1 8.197 0.001 . 1 . . 718 . . 19 GLU H . 52390 1 140 . 1 . 1 19 19 GLU HA H 1 4.094 0.002 . 1 . . 887 . . 19 GLU HA . 52390 1 141 . 1 . 1 19 19 GLU HB2 H 1 2.012 0.003 . 2 . . 875 . . 19 GLU HB2 . 52390 1 142 . 1 . 1 19 19 GLU HB3 H 1 2.120 0.006 . 2 . . 985 . . 19 GLU HB3 . 52390 1 143 . 1 . 1 19 19 GLU HG2 H 1 2.413 0.009 . 2 . . 876 . . 19 GLU HG2 . 52390 1 144 . 1 . 1 19 19 GLU HG3 H 1 2.533 0.01 . 2 . . 984 . . 19 GLU HG3 . 52390 1 145 . 1 . 1 19 19 GLU N N 15 118.803 . . 1 . . 719 . . 19 GLU N . 52390 1 146 . 1 . 1 20 20 GLU H H 1 8.169 0.002 . 1 . . 712 . . 20 GLU H . 52390 1 147 . 1 . 1 20 20 GLU HA H 1 4.090 0.001 . 1 . . 717 . . 20 GLU HA . 52390 1 148 . 1 . 1 20 20 GLU HB2 H 1 2.081 0.01 . 2 . . 714 . . 20 GLU HB2 . 52390 1 149 . 1 . 1 20 20 GLU HB3 H 1 2.037 0.008 . 2 . . 888 . . 20 GLU HB3 . 52390 1 150 . 1 . 1 20 20 GLU HG2 H 1 2.519 0.01 . 2 . . 715 . . 20 GLU HG2 . 52390 1 151 . 1 . 1 20 20 GLU HG3 H 1 2.386 0.008 . 2 . . 886 . . 20 GLU HG3 . 52390 1 152 . 1 . 1 20 20 GLU N N 15 120.418 . . 1 . . 713 . . 20 GLU N . 52390 1 153 . 1 . 1 21 21 LEU H H 1 7.987 0.003 . 1 . . 722 . . 21 LEU H . 52390 1 154 . 1 . 1 21 21 LEU HA H 1 4.107 0.004 . 1 . . 889 . . 21 LEU HA . 52390 1 155 . 1 . 1 21 21 LEU HB2 H 1 1.652 0.004 . 1 . . 890 . . 21 LEU HB2 . 52390 1 156 . 1 . 1 21 21 LEU HG H 1 1.542 0.004 . 1 . . 893 . . 21 LEU HG . 52390 1 157 . 1 . 1 21 21 LEU HD11 H 1 0.815 0.004 . 2 . . 891 . . 21 LEU HD11 . 52390 1 158 . 1 . 1 21 21 LEU HD12 H 1 0.815 0.004 . 2 . . 891 . . 21 LEU HD12 . 52390 1 159 . 1 . 1 21 21 LEU HD13 H 1 0.815 0.004 . 2 . . 891 . . 21 LEU HD13 . 52390 1 160 . 1 . 1 21 21 LEU HD21 H 1 0.843 0.003 . 2 . . 892 . . 21 LEU HD21 . 52390 1 161 . 1 . 1 21 21 LEU HD22 H 1 0.843 0.003 . 2 . . 892 . . 21 LEU HD22 . 52390 1 162 . 1 . 1 21 21 LEU HD23 H 1 0.843 0.003 . 2 . . 892 . . 21 LEU HD23 . 52390 1 163 . 1 . 1 21 21 LEU N N 15 121.467 . . 1 . . 723 . . 21 LEU N . 52390 1 164 . 1 . 1 22 22 ALA H H 1 7.849 0.002 . 1 . . 585 . . 22 ALA H . 52390 1 165 . 1 . 1 22 22 ALA HA H 1 4.124 0.004 . 1 . . 580 . . 22 ALA HA . 52390 1 166 . 1 . 1 22 22 ALA HB1 H 1 1.378 0.006 . 1 . . 584 . . 22 ALA HB1 . 52390 1 167 . 1 . 1 22 22 ALA HB2 H 1 1.378 0.006 . 1 . . 584 . . 22 ALA HB2 . 52390 1 168 . 1 . 1 22 22 ALA HB3 H 1 1.378 0.006 . 1 . . 584 . . 22 ALA HB3 . 52390 1 169 . 1 . 1 22 22 ALA N N 15 122.103 . . 1 . . 708 . . 22 ALA N . 52390 1 170 . 1 . 1 23 23 ALA H H 1 7.815 0.002 . 1 . . 581 . . 23 ALA H . 52390 1 171 . 1 . 1 23 23 ALA HA H 1 4.093 0.002 . 1 . . 583 . . 23 ALA HA . 52390 1 172 . 1 . 1 23 23 ALA HB1 H 1 1.355 0.007 . 1 . . 582 . . 23 ALA HB1 . 52390 1 173 . 1 . 1 23 23 ALA HB2 H 1 1.355 0.007 . 1 . . 582 . . 23 ALA HB2 . 52390 1 174 . 1 . 1 23 23 ALA HB3 H 1 1.355 0.007 . 1 . . 582 . . 23 ALA HB3 . 52390 1 175 . 1 . 1 23 23 ALA N N 15 120.845 . . 1 . . 707 . . 23 ALA N . 52390 1 176 . 1 . 1 24 24 LYS H H 1 7.793 0.002 . 1 . . 528 . . 24 LYS H . 52390 1 177 . 1 . 1 24 24 LYS HA H 1 4.060 0.002 . 1 . . 644 . . 24 LYS HA . 52390 1 178 . 1 . 1 24 24 LYS HB2 H 1 1.660 0.009 . 1 . . 568 . . 24 LYS HB2 . 52390 1 179 . 1 . 1 24 24 LYS HG2 H 1 1.147 0.007 . 2 . . 645 . . 24 LYS HG2 . 52390 1 180 . 1 . 1 24 24 LYS HG3 H 1 1.260 0.003 . 2 . . 648 . . 24 LYS HG3 . 52390 1 181 . 1 . 1 24 24 LYS HD2 H 1 1.525 0.006 . 1 . . 646 . . 24 LYS HD2 . 52390 1 182 . 1 . 1 24 24 LYS HE2 H 1 2.848 0.007 . 1 . . 647 . . 24 LYS HE2 . 52390 1 183 . 1 . 1 24 24 LYS N N 15 118.849 . . 1 . . 529 . . 24 LYS N . 52390 1 184 . 1 . 1 25 25 TYR H H 1 7.836 0.003 . 1 . . 574 . . 25 TYR H . 52390 1 185 . 1 . 1 25 25 TYR HA H 1 4.455 0.003 . 1 . . 575 . . 25 TYR HA . 52390 1 186 . 1 . 1 25 25 TYR HB2 H 1 2.901 0.006 . 2 . . 576 . . 25 TYR HB2 . 52390 1 187 . 1 . 1 25 25 TYR HB3 H 1 3.022 0.004 . 2 . . 579 . . 25 TYR HB3 . 52390 1 188 . 1 . 1 25 25 TYR HD1 H 1 7.059 0.004 . 1 . . 578 . . 25 TYR HD1 . 52390 1 189 . 1 . 1 25 25 TYR HD2 H 1 7.059 0.004 . 1 . . 578 . . 25 TYR HD2 . 52390 1 190 . 1 . 1 25 25 TYR HE1 H 1 6.728 0.006 . 1 . . 577 . . 25 TYR HE1 . 52390 1 191 . 1 . 1 25 25 TYR HE2 H 1 6.728 0.006 . 1 . . 577 . . 25 TYR HE2 . 52390 1 192 . 1 . 1 25 25 TYR N N 15 122.280 . . 1 . . 667 . . 25 TYR N . 52390 1 193 . 1 . 1 26 26 ARG H H 1 7.832 0.004 . 1 . . 668 . . 26 ARG H . 52390 1 194 . 1 . 1 26 26 ARG HA H 1 4.163 0.002 . 1 . . 672 . . 26 ARG HA . 52390 1 195 . 1 . 1 26 26 ARG HB2 H 1 1.687 0.0 . 2 . . 673 . . 26 ARG HB2 . 52390 1 196 . 1 . 1 26 26 ARG HB3 H 1 1.739 0.005 . 2 . . 676 . . 26 ARG HB3 . 52390 1 197 . 1 . 1 26 26 ARG HG2 H 1 1.522 0.005 . 2 . . 674 . . 26 ARG HG2 . 52390 1 198 . 1 . 1 26 26 ARG HG3 H 1 1.554 0.001 . 2 . . 675 . . 26 ARG HG3 . 52390 1 199 . 1 . 1 26 26 ARG HD2 H 1 3.109 0.006 . 1 . . 669 . . 26 ARG HD2 . 52390 1 200 . 1 . 1 26 26 ARG HE H 1 7.102 0.007 . 1 . . 671 . . 26 ARG HE . 52390 1 201 . 1 . 1 26 26 ARG N N 15 119.430 . . 1 . . 670 . . 26 ARG N . 52390 1 202 . 1 . 1 27 27 ALA H H 1 8.108 0.003 . 1 . . 656 . . 27 ALA H . 52390 1 203 . 1 . 1 27 27 ALA HA H 1 4.271 0.005 . 1 . . 658 . . 27 ALA HA . 52390 1 204 . 1 . 1 27 27 ALA HB1 H 1 1.357 0.004 . 1 . . 659 . . 27 ALA HB1 . 52390 1 205 . 1 . 1 27 27 ALA HB2 H 1 1.357 0.004 . 1 . . 659 . . 27 ALA HB2 . 52390 1 206 . 1 . 1 27 27 ALA HB3 H 1 1.357 0.004 . 1 . . 659 . . 27 ALA HB3 . 52390 1 207 . 1 . 1 27 27 ALA N N 15 124.843 . . 1 . . 657 . . 27 ALA N . 52390 1 208 . 1 . 1 28 28 THR H H 1 8.019 0.007 . 1 . . 621 . . 28 THR H . 52390 1 209 . 1 . 1 28 28 THR HA H 1 4.268 0.005 . 1 . . 638 . . 28 THR HA . 52390 1 210 . 1 . 1 28 28 THR HB H 1 4.192 0.002 . 1 . . 639 . . 28 THR HB . 52390 1 211 . 1 . 1 28 28 THR HG1 H 1 5.246 . . 1 . . 1022 . . 28 THR HG1 . 52390 1 212 . 1 . 1 28 28 THR HG21 H 1 1.149 0.004 . 1 . . 637 . . 28 THR HG21 . 52390 1 213 . 1 . 1 28 28 THR HG22 H 1 1.149 0.004 . 1 . . 637 . . 28 THR HG22 . 52390 1 214 . 1 . 1 28 28 THR HG23 H 1 1.149 0.004 . 1 . . 637 . . 28 THR HG23 . 52390 1 215 . 1 . 1 28 28 THR N N 15 112.672 . . 1 . . 622 . . 28 THR N . 52390 1 216 . 1 . 1 29 29 GLY H H 1 8.277 0.006 . 1 . . 562 . . 29 GLY H . 52390 1 217 . 1 . 1 29 29 GLY HA2 H 1 3.940 0.011 . 1 . . 563 . . 29 GLY HA2 . 52390 1 218 . 1 . 1 29 29 GLY N N 15 110.982 . . 1 . . 564 . . 29 GLY N . 52390 1 219 . 1 . 1 30 30 THR H H 1 7.972 0.003 . 1 . . 530 . . 30 THR H . 52390 1 220 . 1 . 1 30 30 THR HA H 1 4.246 0.001 . 1 . . 532 . . 30 THR HA . 52390 1 221 . 1 . 1 30 30 THR HB H 1 4.087 0.003 . 1 . . 573 . . 30 THR HB . 52390 1 222 . 1 . 1 30 30 THR HG1 H 1 5.182 0.001 . 1 . . 1021 . . 30 THR HG1 . 52390 1 223 . 1 . 1 30 30 THR HG21 H 1 1.105 0.01 . 1 . . 572 . . 30 THR HG21 . 52390 1 224 . 1 . 1 30 30 THR HG22 H 1 1.105 0.01 . 1 . . 572 . . 30 THR HG22 . 52390 1 225 . 1 . 1 30 30 THR HG23 H 1 1.105 0.01 . 1 . . 572 . . 30 THR HG23 . 52390 1 226 . 1 . 1 30 30 THR N N 15 113.692 . . 1 . . 531 . . 30 THR N . 52390 1 227 . 1 . 1 31 31 ALA H H 1 8.256 0.003 . 1 . . 558 . . 31 ALA H . 52390 1 228 . 1 . 1 31 31 ALA HA H 1 4.491 0.004 . 1 . . 557 . . 31 ALA HA . 52390 1 229 . 1 . 1 31 31 ALA HB1 H 1 1.274 0.008 . 1 . . 556 . . 31 ALA HB1 . 52390 1 230 . 1 . 1 31 31 ALA HB2 H 1 1.274 0.008 . 1 . . 556 . . 31 ALA HB2 . 52390 1 231 . 1 . 1 31 31 ALA HB3 H 1 1.274 0.008 . 1 . . 556 . . 31 ALA HB3 . 52390 1 232 . 1 . 1 31 31 ALA N N 15 128.137 . . 1 . . 623 . . 31 ALA N . 52390 1 233 . 1 . 1 32 32 PRO HA H 1 4.312 0.006 . 1 . . 551 . . 32 PRO HA . 52390 1 234 . 1 . 1 32 32 PRO HB2 H 1 2.197 0.001 . 2 . . 546 . . 32 PRO HB2 . 52390 1 235 . 1 . 1 32 32 PRO HB3 H 1 1.794 0.002 . 2 . . 550 . . 32 PRO HB3 . 52390 1 236 . 1 . 1 32 32 PRO HG2 H 1 1.924 0.001 . 1 . . 549 . . 32 PRO HG2 . 52390 1 237 . 1 . 1 32 32 PRO HD2 H 1 3.700 0.009 . 2 . . 547 . . 32 PRO HD2 . 52390 1 238 . 1 . 1 32 32 PRO HD3 H 1 3.542 0.009 . 2 . . 548 . . 32 PRO HD3 . 52390 1 239 . 1 . 1 33 33 LYS H H 1 8.254 0.004 . 1 . . 598 . . 33 LYS H . 52390 1 240 . 1 . 1 33 33 LYS HA H 1 4.170 0.002 . 1 . . 600 . . 33 LYS HA . 52390 1 241 . 1 . 1 33 33 LYS HB2 H 1 1.704 0.002 . 1 . . 697 . . 33 LYS HB2 . 52390 1 242 . 1 . 1 33 33 LYS HG2 H 1 1.381 0.005 . 1 . . 696 . . 33 LYS HG2 . 52390 1 243 . 1 . 1 33 33 LYS HD2 H 1 1.584 0.001 . 1 . . 695 . . 33 LYS HD2 . 52390 1 244 . 1 . 1 33 33 LYS HE2 H 1 2.908 0.002 . 1 . . 601 . . 33 LYS HE2 . 52390 1 245 . 1 . 1 33 33 LYS HZ1 H 1 7.453 0.0 . 1 . . 599 . . 33 LYS HZ1 . 52390 1 246 . 1 . 1 33 33 LYS HZ2 H 1 7.453 0.0 . 1 . . 599 . . 33 LYS HZ2 . 52390 1 247 . 1 . 1 33 33 LYS HZ3 H 1 7.453 0.0 . 1 . . 599 . . 33 LYS HZ3 . 52390 1 248 . 1 . 1 33 33 LYS N N 15 121.666 . . 1 . . 653 . . 33 LYS N . 52390 1 249 . 1 . 1 34 34 LYS H H 1 8.220 0.001 . 1 . . 649 . . 34 LYS H . 52390 1 250 . 1 . 1 34 34 LYS HA H 1 4.212 0.003 . 1 . . 651 . . 34 LYS HA . 52390 1 251 . 1 . 1 34 34 LYS HB2 H 1 1.671 0.007 . 1 . . 862 . . 34 LYS HB2 . 52390 1 252 . 1 . 1 34 34 LYS HG2 H 1 1.329 0.008 . 2 . . 864 . . 34 LYS HG2 . 52390 1 253 . 1 . 1 34 34 LYS HG3 H 1 1.255 0.008 . 2 . . 865 . . 34 LYS HG3 . 52390 1 254 . 1 . 1 34 34 LYS HD2 H 1 1.583 0.005 . 1 . . 863 . . 34 LYS HD2 . 52390 1 255 . 1 . 1 34 34 LYS HE2 H 1 2.879 0.006 . 1 . . 650 . . 34 LYS HE2 . 52390 1 256 . 1 . 1 34 34 LYS HZ1 H 1 7.456 0.001 . 1 . . 866 . . 34 LYS HZ1 . 52390 1 257 . 1 . 1 34 34 LYS HZ2 H 1 7.456 0.001 . 1 . . 866 . . 34 LYS HZ2 . 52390 1 258 . 1 . 1 34 34 LYS HZ3 H 1 7.456 0.001 . 1 . . 866 . . 34 LYS HZ3 . 52390 1 259 . 1 . 1 34 34 LYS N N 15 123.120 . . 1 . . 652 . . 34 LYS N . 52390 1 260 . 1 . 1 35 35 ILE H H 1 8.159 0.005 . 1 . . 588 . . 35 ILE H . 52390 1 261 . 1 . 1 35 35 ILE HA H 1 4.070 0.005 . 1 . . 591 . . 35 ILE HA . 52390 1 262 . 1 . 1 35 35 ILE HB H 1 1.742 0.006 . 1 . . 590 . . 35 ILE HB . 52390 1 263 . 1 . 1 35 35 ILE HG12 H 1 1.069 0.01 . 2 . . 592 . . 35 ILE HG12 . 52390 1 264 . 1 . 1 35 35 ILE HG13 H 1 1.366 0.005 . 2 . . 1037 . . 35 ILE HG13 . 52390 1 265 . 1 . 1 35 35 ILE HG21 H 1 0.804 0.006 . 1 . . 587 . . 35 ILE HG21 . 52390 1 266 . 1 . 1 35 35 ILE HG22 H 1 0.804 0.006 . 1 . . 587 . . 35 ILE HG22 . 52390 1 267 . 1 . 1 35 35 ILE HG23 H 1 0.804 0.006 . 1 . . 587 . . 35 ILE HG23 . 52390 1 268 . 1 . 1 35 35 ILE HD11 H 1 0.745 0.01 . 1 . . 589 . . 35 ILE HD11 . 52390 1 269 . 1 . 1 35 35 ILE HD12 H 1 0.745 0.01 . 1 . . 589 . . 35 ILE HD12 . 52390 1 270 . 1 . 1 35 35 ILE HD13 H 1 0.745 0.01 . 1 . . 589 . . 35 ILE HD13 . 52390 1 271 . 1 . 1 35 35 ILE N N 15 123.423 . . 1 . . 709 . . 35 ILE N . 52390 1 272 . 1 . 1 36 36 LEU H H 1 8.265 0.005 . 1 . . 555 . . 36 LEU H . 52390 1 273 . 1 . 1 36 36 LEU HA H 1 4.287 0.002 . 1 . . 553 . . 36 LEU HA . 52390 1 274 . 1 . 1 36 36 LEU HB2 H 1 1.571 0.008 . 2 . . 878 . . 36 LEU HB2 . 52390 1 275 . 1 . 1 36 36 LEU HB3 H 1 1.591 0.015 . 2 . . 1202 . . 36 LEU HB3 . 52390 1 276 . 1 . 1 36 36 LEU HG H 1 1.514 0.004 . 1 . . 877 . . 36 LEU HG . 52390 1 277 . 1 . 1 36 36 LEU HD11 H 1 0.788 0.004 . 2 . . 552 . . 36 LEU HD11 . 52390 1 278 . 1 . 1 36 36 LEU HD12 H 1 0.788 0.004 . 2 . . 552 . . 36 LEU HD12 . 52390 1 279 . 1 . 1 36 36 LEU HD13 H 1 0.788 0.004 . 2 . . 552 . . 36 LEU HD13 . 52390 1 280 . 1 . 1 36 36 LEU HD21 H 1 0.845 0.006 . 2 . . 554 . . 36 LEU HD21 . 52390 1 281 . 1 . 1 36 36 LEU HD22 H 1 0.845 0.006 . 2 . . 554 . . 36 LEU HD22 . 52390 1 282 . 1 . 1 36 36 LEU HD23 H 1 0.845 0.006 . 2 . . 554 . . 36 LEU HD23 . 52390 1 283 . 1 . 1 36 36 LEU N N 15 126.696 . . 1 . . 710 . . 36 LEU N . 52390 1 284 . 1 . 1 37 37 GLY H H 1 8.202 0.004 . 1 . . 560 . . 37 GLY H . 52390 1 285 . 1 . 1 37 37 GLY HA2 H 1 3.808 0.011 . 1 . . 559 . . 37 GLY HA2 . 52390 1 286 . 1 . 1 37 37 GLY N N 15 109.441 . . 1 . . 561 . . 37 GLY N . 52390 1 287 . 1 . 1 38 38 ILE H H 1 7.662 0.003 . 1 . . 521 . . 38 ILE H . 52390 1 288 . 1 . 1 38 38 ILE HA H 1 4.057 0.001 . 1 . . 523 . . 38 ILE HA . 52390 1 289 . 1 . 1 38 38 ILE HB H 1 1.680 0.005 . 1 . . 524 . . 38 ILE HB . 52390 1 290 . 1 . 1 38 38 ILE HG12 H 1 1.212 0.008 . 1 . . 525 . . 38 ILE HG12 . 52390 1 291 . 1 . 1 38 38 ILE HG21 H 1 0.965 0.008 . 1 . . 526 . . 38 ILE HG21 . 52390 1 292 . 1 . 1 38 38 ILE HG22 H 1 0.965 0.008 . 1 . . 526 . . 38 ILE HG22 . 52390 1 293 . 1 . 1 38 38 ILE HG23 H 1 0.965 0.008 . 1 . . 526 . . 38 ILE HG23 . 52390 1 294 . 1 . 1 38 38 ILE HD11 H 1 0.721 0.011 . 1 . . 527 . . 38 ILE HD11 . 52390 1 295 . 1 . 1 38 38 ILE HD12 H 1 0.721 0.011 . 1 . . 527 . . 38 ILE HD12 . 52390 1 296 . 1 . 1 38 38 ILE HD13 H 1 0.721 0.011 . 1 . . 527 . . 38 ILE HD13 . 52390 1 297 . 1 . 1 38 38 ILE N N 15 119.271 . . 1 . . 522 . . 38 ILE N . 52390 1 298 . 1 . 1 39 39 PHE H H 1 8.086 0.012 . 1 . . 539 . . 39 PHE H . 52390 1 299 . 1 . 1 39 39 PHE HA H 1 4.525 0.005 . 1 . . 540 . . 39 PHE HA . 52390 1 300 . 1 . 1 39 39 PHE HB2 H 1 3.131 0.006 . 2 . . 541 . . 39 PHE HB2 . 52390 1 301 . 1 . 1 39 39 PHE HB3 H 1 2.910 0.001 . 2 . . 545 . . 39 PHE HB3 . 52390 1 302 . 1 . 1 39 39 PHE HD1 H 1 7.169 0.004 . 1 . . 544 . . 39 PHE HD1 . 52390 1 303 . 1 . 1 39 39 PHE HD2 H 1 7.169 0.004 . 1 . . 544 . . 39 PHE HD2 . 52390 1 304 . 1 . 1 39 39 PHE HE1 H 1 7.243 0.005 . 1 . . 543 . . 39 PHE HE1 . 52390 1 305 . 1 . 1 39 39 PHE HE2 H 1 7.243 0.005 . 1 . . 543 . . 39 PHE HE2 . 52390 1 306 . 1 . 1 39 39 PHE HZ H 1 7.203 0.009 . 1 . . 542 . . 39 PHE HZ . 52390 1 307 . 1 . 1 39 39 PHE N N 15 126.071 . . 1 . . 593 . . 39 PHE N . 52390 1 stop_ save_