################################### # 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 25722 _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' . . . 25722 1 2 '2D 1H-1H TOCSY' . . . 25722 1 3 '2D 1H-1H NOESY' . . . 25722 1 4 '3D 1H-15N NOESY' . . . 25722 1 5 '3D 1H-15N TOCSY' . . . 25722 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 $CNS . . 25722 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 GLY H H 1 8.3960 0.0000 . 1 . . . A 627 GLY H1 . 25722 1 2 . 1 1 1 1 GLY N N 15 119.4640 0.0000 . 1 . . . A 627 GLY N . 25722 1 3 . 1 1 2 2 GLY H H 1 8.7270 0.0000 . 1 . . . A 628 GLY H . 25722 1 4 . 1 1 2 2 GLY N N 15 113.0060 0.0000 . 1 . . . A 628 GLY N . 25722 1 5 . 1 1 3 3 ILE H H 1 8.5600 0.0000 . 1 . . . A 629 ILE H . 25722 1 6 . 1 1 3 3 ILE HA H 1 4.2480 0.0000 . 1 . . . A 629 ILE HA . 25722 1 7 . 1 1 3 3 ILE HB H 1 1.5610 0.0000 . 1 . . . A 629 ILE HB . 25722 1 8 . 1 1 3 3 ILE HG12 H 1 0.8520 0.0000 . 2 . . . A 629 ILE HG12 . 25722 1 9 . 1 1 3 3 ILE HG13 H 1 0.8520 0.0000 . 2 . . . A 629 ILE HG13 . 25722 1 10 . 1 1 3 3 ILE HG21 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG21 . 25722 1 11 . 1 1 3 3 ILE HG22 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG22 . 25722 1 12 . 1 1 3 3 ILE HG23 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG23 . 25722 1 13 . 1 1 3 3 ILE N N 15 122.7300 0.0000 . 1 . . . A 629 ILE N . 25722 1 14 . 1 1 4 4 ARG H H 1 8.0290 0.0000 . 1 . . . A 630 ARG H . 25722 1 15 . 1 1 4 4 ARG N N 15 119.8800 0.0000 . 1 . . . A 630 ARG N . 25722 1 16 . 1 1 5 5 LYS H H 1 8.6640 0.0000 . 1 . . . A 631 LYS H . 25722 1 17 . 1 1 5 5 LYS N N 15 119.0400 0.0000 . 1 . . . A 631 LYS N . 25722 1 18 . 1 1 6 6 THR H H 1 8.3760 0.0000 . 1 . . . A 632 THR H . 25722 1 19 . 1 1 6 6 THR N N 15 109.9500 0.0000 . 1 . . . A 632 THR N . 25722 1 20 . 1 1 7 7 ARG H H 1 8.0170 0.0000 . 1 . . . A 633 ARG H . 25722 1 21 . 1 1 7 7 ARG HA H 1 3.6800 0.0000 . 1 . . . A 633 ARG HA . 25722 1 22 . 1 1 7 7 ARG N N 15 120.9500 0.0000 . 1 . . . A 633 ARG N . 25722 1 23 . 1 1 8 8 GLU H H 1 7.2600 0.0000 . 1 . . . A 634 GLU H . 25722 1 24 . 1 1 8 8 GLU HA H 1 4.0800 0.0000 . 1 . . . A 634 GLU HA . 25722 1 25 . 1 1 8 8 GLU HB2 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HB2 . 25722 1 26 . 1 1 8 8 GLU HB3 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HB3 . 25722 1 27 . 1 1 8 8 GLU HG2 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HG2 . 25722 1 28 . 1 1 8 8 GLU HG3 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HG3 . 25722 1 29 . 1 1 8 8 GLU N N 15 118.2010 0.0000 . 1 . . . A 634 GLU N . 25722 1 30 . 1 1 9 9 THR H H 1 8.1370 0.0000 . 1 . . . A 635 THR H . 25722 1 31 . 1 1 9 9 THR N N 15 115.2740 0.0000 . 1 . . . A 635 THR N . 25722 1 32 . 1 1 10 10 GLU H H 1 8.2740 0.0000 . 1 . . . A 636 GLU H . 25722 1 33 . 1 1 10 10 GLU HA H 1 4.1080 0.0000 . 1 . . . A 636 GLU HA . 25722 1 34 . 1 1 10 10 GLU HB2 H 1 2.0700 0.0000 . 2 . . . A 636 GLU HB2 . 25722 1 35 . 1 1 10 10 GLU HB3 H 1 2.0700 0.0000 . 2 . . . A 636 GLU HB3 . 25722 1 36 . 1 1 10 10 GLU N N 15 115.3010 0.0000 . 1 . . . A 636 GLU N . 25722 1 37 . 1 1 11 11 ARG H H 1 7.8100 0.0000 . 1 . . . A 637 ARG H . 25722 1 38 . 1 1 11 11 ARG HA H 1 3.7590 0.0000 . 1 . . . A 637 ARG HA . 25722 1 39 . 1 1 11 11 ARG HG2 H 1 1.5900 0.0000 . 2 . . . A 637 ARG HG2 . 25722 1 40 . 1 1 11 11 ARG HG3 H 1 1.5900 0.0000 . 2 . . . A 637 ARG HG3 . 25722 1 41 . 1 1 11 11 ARG N N 15 120.1740 0.0000 . 1 . . . A 637 ARG N . 25722 1 42 . 1 1 12 12 LEU H H 1 8.1700 0.0000 . 1 . . . A 638 LEU H . 25722 1 43 . 1 1 12 12 LEU HA H 1 3.4500 0.0000 . 1 . . . A 638 LEU HA . 25722 1 44 . 1 1 12 12 LEU HD11 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD11 . 25722 1 45 . 1 1 12 12 LEU HD12 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD12 . 25722 1 46 . 1 1 12 12 LEU HD13 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD13 . 25722 1 47 . 1 1 12 12 LEU HD21 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD21 . 25722 1 48 . 1 1 12 12 LEU HD22 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD22 . 25722 1 49 . 1 1 12 12 LEU HD23 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD23 . 25722 1 50 . 1 1 12 12 LEU N N 15 120.6580 0.0000 . 1 . . . A 638 LEU N . 25722 1 51 . 1 1 13 13 ARG H H 1 7.5100 0.0000 . 1 . . . A 639 ARG H . 25722 1 52 . 1 1 13 13 ARG HA H 1 3.9240 0.0000 . 1 . . . A 639 ARG HA . 25722 1 53 . 1 1 13 13 ARG HD2 H 1 2.2100 0.0000 . 2 . . . A 639 ARG HD2 . 25722 1 54 . 1 1 13 13 ARG HD3 H 1 2.2100 0.0000 . 2 . . . A 639 ARG HD3 . 25722 1 55 . 1 1 13 13 ARG N N 15 116.3250 0.0000 . 1 . . . A 639 ARG N . 25722 1 56 . 1 1 14 14 ARG H H 1 7.9250 0.0000 . 1 . . . A 640 ARG H . 25722 1 57 . 1 1 14 14 ARG HA H 1 4.0150 0.0000 . 1 . . . A 640 ARG HA . 25722 1 58 . 1 1 14 14 ARG HD2 H 1 2.2200 0.0000 . 2 . . . A 640 ARG HD2 . 25722 1 59 . 1 1 14 14 ARG HD3 H 1 2.2200 0.0000 . 2 . . . A 640 ARG HD3 . 25722 1 60 . 1 1 14 14 ARG N N 15 117.9040 0.0000 . 1 . . . A 640 ARG N . 25722 1 61 . 1 1 15 15 GLN H H 1 8.6820 0.0000 . 1 . . . A 641 GLN H . 25722 1 62 . 1 1 15 15 GLN N N 15 118.2030 0.0000 . 1 . . . A 641 GLN N . 25722 1 63 . 1 1 17 17 LEU H H 1 7.1390 0.0000 . 1 . . . A 643 LEU H . 25722 1 64 . 1 1 17 17 LEU N N 15 119.1400 0.0000 . 1 . . . A 643 LEU N . 25722 1 65 . 1 1 18 18 GLU H H 1 8.8490 0.0000 . 1 . . . A 644 GLU H . 25722 1 66 . 1 1 18 18 GLU N N 15 120.1400 0.0000 . 1 . . . A 644 GLU N . 25722 1 67 . 1 1 19 19 VAL H H 1 7.9860 0.0000 . 1 . . . A 645 VAL H . 25722 1 68 . 1 1 19 19 VAL HA H 1 3.9940 0.0000 . 1 . . . A 645 VAL HA . 25722 1 69 . 1 1 19 19 VAL HB H 1 1.7960 0.0000 . 1 . . . A 645 VAL HB . 25722 1 70 . 1 1 19 19 VAL N N 15 119.3300 0.0000 . 1 . . . A 645 VAL N . 25722 1 71 . 1 1 20 20 PHE H H 1 8.0270 0.0000 . 1 . . . A 646 PHE H . 25722 1 72 . 1 1 20 20 PHE HA H 1 4.4010 0.0000 . 1 . . . A 646 PHE HA . 25722 1 73 . 1 1 20 20 PHE HB2 H 1 2.7480 0.0000 . 2 . . . A 646 PHE HB2 . 25722 1 74 . 1 1 20 20 PHE HB3 H 1 3.0300 0.0000 . 2 . . . A 646 PHE HB3 . 25722 1 75 . 1 1 20 20 PHE N N 15 115.4580 0.0000 . 1 . . . A 646 PHE N . 25722 1 76 . 1 1 21 21 TRP H H 1 7.0700 0.0000 . 1 . . . A 647 TRP H . 25722 1 77 . 1 1 21 21 TRP HA H 1 4.5800 0.0000 . 1 . . . A 647 TRP HA . 25722 1 78 . 1 1 21 21 TRP HB2 H 1 3.1640 0.0000 . 2 . . . A 647 TRP HB2 . 25722 1 79 . 1 1 21 21 TRP HB3 H 1 3.1640 0.0000 . 2 . . . A 647 TRP HB3 . 25722 1 80 . 1 1 21 21 TRP N N 15 120.2280 0.0000 . 1 . . . A 647 TRP N . 25722 1 81 . 1 1 22 22 GLY H H 1 8.2450 0.0000 . 1 . . . A 648 GLY H . 25722 1 82 . 1 1 22 22 GLY HA2 H 1 4.0400 0.0000 . 2 . . . A 648 GLY HA2 . 25722 1 83 . 1 1 22 22 GLY HA3 H 1 4.0400 0.0000 . 2 . . . A 648 GLY HA3 . 25722 1 84 . 1 1 22 22 GLY N N 15 108.0000 0.0000 . 1 . . . A 648 GLY N . 25722 1 85 . 1 1 23 23 GLN H H 1 7.6820 0.0000 . 1 . . . A 649 GLN H . 25722 1 86 . 1 1 23 23 GLN N N 15 119.5160 0.0000 . 1 . . . A 649 GLN N . 25722 1 87 . 1 1 24 24 ASP H H 1 7.8800 0.0000 . 1 . . . A 650 ASP H . 25722 1 88 . 1 1 24 24 ASP N N 15 114.5990 0.0000 . 1 . . . A 650 ASP N . 25722 1 89 . 1 1 25 25 HIS H H 1 8.9680 0.0000 . 1 . . . A 651 HIS H . 25722 1 90 . 1 1 25 25 HIS N N 15 126.8200 0.0000 . 1 . . . A 651 HIS N . 25722 1 91 . 1 1 26 26 LYS HA H 1 4.0250 0.0000 . 1 . . . A 652 LYS HA . 25722 1 92 . 1 1 26 26 LYS N N 15 119.7470 0.0000 . 1 . . . A 652 LYS N . 25722 1 93 . 1 1 27 27 VAL H H 1 8.2900 0.0000 . 1 . . . A 653 VAL H . 25722 1 94 . 1 1 27 27 VAL HA H 1 3.8100 0.0000 . 1 . . . A 653 VAL HA . 25722 1 95 . 1 1 27 27 VAL HG11 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG11 . 25722 1 96 . 1 1 27 27 VAL HG12 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG12 . 25722 1 97 . 1 1 27 27 VAL HG13 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG13 . 25722 1 98 . 1 1 27 27 VAL HG21 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG21 . 25722 1 99 . 1 1 27 27 VAL HG22 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG22 . 25722 1 100 . 1 1 27 27 VAL HG23 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG23 . 25722 1 101 . 1 1 27 27 VAL N N 15 120.5910 0.0000 . 1 . . . A 653 VAL N . 25722 1 102 . 1 1 28 28 ASP H H 1 7.8860 0.0000 . 1 . . . A 654 ASP H . 25722 1 103 . 1 1 28 28 ASP HA H 1 3.9940 0.0000 . 1 . . . A 654 ASP HA . 25722 1 104 . 1 1 28 28 ASP HB2 H 1 2.2900 0.0000 . 2 . . . A 654 ASP HB2 . 25722 1 105 . 1 1 28 28 ASP HB3 H 1 2.2900 0.0000 . 2 . . . A 654 ASP HB3 . 25722 1 106 . 1 1 28 28 ASP N N 15 119.9620 0.0000 . 1 . . . A 654 ASP N . 25722 1 107 . 1 1 29 29 PHE H H 1 8.3570 0.0000 . 1 . . . A 655 PHE H . 25722 1 108 . 1 1 29 29 PHE HA H 1 4.4600 0.0000 . 1 . . . A 655 PHE HA . 25722 1 109 . 1 1 29 29 PHE HB2 H 1 2.9800 0.0000 . 2 . . . A 655 PHE HB2 . 25722 1 110 . 1 1 29 29 PHE HB3 H 1 2.9800 0.0000 . 2 . . . A 655 PHE HB3 . 25722 1 111 . 1 1 29 29 PHE N N 15 123.2050 0.0000 . 1 . . . A 655 PHE N . 25722 1 112 . 1 1 30 30 ILE H H 1 7.1500 0.0000 . 1 . . . A 656 ILE H . 25722 1 113 . 1 1 30 30 ILE HA H 1 4.1300 0.0000 . 1 . . . A 656 ILE HA . 25722 1 114 . 1 1 30 30 ILE HB H 1 1.6000 0.0000 . 1 . . . A 656 ILE HB . 25722 1 115 . 1 1 30 30 ILE HG12 H 1 1.1800 0.0000 . 2 . . . A 656 ILE HG12 . 25722 1 116 . 1 1 30 30 ILE HG13 H 1 1.1800 0.0000 . 2 . . . A 656 ILE HG13 . 25722 1 117 . 1 1 30 30 ILE HG21 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG21 . 25722 1 118 . 1 1 30 30 ILE HG22 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG22 . 25722 1 119 . 1 1 30 30 ILE HG23 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG23 . 25722 1 120 . 1 1 30 30 ILE HD11 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD11 . 25722 1 121 . 1 1 30 30 ILE HD12 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD12 . 25722 1 122 . 1 1 30 30 ILE HD13 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD13 . 25722 1 123 . 1 1 30 30 ILE N N 15 122.3290 0.0000 . 1 . . . A 656 ILE N . 25722 1 124 . 1 1 31 31 LEU H H 1 9.0100 0.0000 . 1 . . . A 657 LEU H . 25722 1 125 . 1 1 31 31 LEU HA H 1 4.4020 0.0000 . 1 . . . A 657 LEU HA . 25722 1 126 . 1 1 31 31 LEU N N 15 123.1050 0.0000 . 1 . . . A 657 LEU N . 25722 1 127 . 1 1 32 32 GLN H H 1 6.9640 0.0000 . 1 . . . A 658 GLN H . 25722 1 128 . 1 1 32 32 GLN N N 15 114.5500 0.0000 . 1 . . . A 658 GLN N . 25722 1 129 . 1 1 33 33 ARG H H 1 7.4790 0.0000 . 1 . . . A 659 ARG H . 25722 1 130 . 1 1 33 33 ARG N N 15 116.0340 0.0000 . 1 . . . A 659 ARG N . 25722 1 131 . 1 1 34 34 GLU H H 1 8.8350 0.0000 . 1 . . . A 660 GLU H . 25722 1 132 . 1 1 34 34 GLU N N 15 117.6300 0.0000 . 1 . . . A 660 GLU N . 25722 1 133 . 1 1 36 36 TYR H H 1 8.2210 0.0000 . 1 . . . A 662 TYR H . 25722 1 134 . 1 1 36 36 TYR N N 15 119.8000 0.0000 . 1 . . . A 662 TYR N . 25722 1 135 . 1 1 37 37 CYS H H 1 8.2330 0.0000 . 1 . . . A 663 CYS H . 25722 1 136 . 1 1 37 37 CYS HA H 1 4.3300 0.0000 . 1 . . . A 663 CYS HA . 25722 1 137 . 1 1 37 37 CYS HB2 H 1 2.6100 0.0000 . 2 . . . A 663 CYS HB2 . 25722 1 138 . 1 1 37 37 CYS HB3 H 1 2.6100 0.0000 . 2 . . . A 663 CYS HB3 . 25722 1 139 . 1 1 37 37 CYS N N 15 118.3190 0.0000 . 1 . . . A 663 CYS N . 25722 1 140 . 1 1 38 38 ARG H H 1 7.2680 0.0000 . 1 . . . A 664 ARG H . 25722 1 141 . 1 1 38 38 ARG HA H 1 4.0860 0.0000 . 1 . . . A 664 ARG HA . 25722 1 142 . 1 1 38 38 ARG HD2 H 1 2.2090 0.0000 . 2 . . . A 664 ARG HD2 . 25722 1 143 . 1 1 38 38 ARG HD3 H 1 2.2090 0.0000 . 2 . . . A 664 ARG HD3 . 25722 1 144 . 1 1 38 38 ARG N N 15 114.3910 0.0000 . 1 . . . A 664 ARG N . 25722 1 145 . 1 1 39 39 ASP H H 1 8.6200 0.0000 . 1 . . . A 665 ASP H . 25722 1 146 . 1 1 39 39 ASP HA H 1 4.5900 0.0000 . 1 . . . A 665 ASP HA . 25722 1 147 . 1 1 39 39 ASP HB2 H 1 2.6200 0.0000 . 2 . . . A 665 ASP HB2 . 25722 1 148 . 1 1 39 39 ASP HB3 H 1 2.6200 0.0000 . 2 . . . A 665 ASP HB3 . 25722 1 149 . 1 1 39 39 ASP N N 15 122.8970 0.0000 . 1 . . . A 665 ASP N . 25722 1 150 . 1 1 40 40 ILE H H 1 6.9760 0.0000 . 1 . . . A 666 ILE H . 25722 1 151 . 1 1 40 40 ILE HA H 1 3.8100 0.0000 . 1 . . . A 666 ILE HA . 25722 1 152 . 1 1 40 40 ILE HG21 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG21 . 25722 1 153 . 1 1 40 40 ILE HG22 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG22 . 25722 1 154 . 1 1 40 40 ILE HG23 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG23 . 25722 1 155 . 1 1 40 40 ILE HD11 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD11 . 25722 1 156 . 1 1 40 40 ILE HD12 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD12 . 25722 1 157 . 1 1 40 40 ILE HD13 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD13 . 25722 1 158 . 1 1 40 40 ILE N N 15 116.6200 0.0000 . 1 . . . A 666 ILE N . 25722 1 159 . 1 1 41 41 ASN H H 1 7.3970 0.0000 . 1 . . . A 667 ASN H . 25722 1 160 . 1 1 41 41 ASN HA H 1 4.3200 0.0000 . 1 . . . A 667 ASN HA . 25722 1 161 . 1 1 41 41 ASN HB2 H 1 2.9180 0.0000 . 2 . . . A 667 ASN HB2 . 25722 1 162 . 1 1 41 41 ASN HB3 H 1 2.9180 0.0000 . 2 . . . A 667 ASN HB3 . 25722 1 163 . 1 1 41 41 ASN N N 15 124.7620 0.0000 . 1 . . . A 667 ASN N . 25722 1 164 . 1 1 42 42 GLN H H 1 7.2670 0.0000 . 1 . . . A 668 GLN H . 25722 1 165 . 1 1 42 42 GLN HA H 1 4.9330 0.0000 . 1 . . . A 668 GLN HA . 25722 1 166 . 1 1 42 42 GLN HB2 H 1 1.9710 0.0000 . 2 . . . A 668 GLN HB2 . 25722 1 167 . 1 1 42 42 GLN HB3 H 1 1.9710 0.0000 . 2 . . . A 668 GLN HB3 . 25722 1 168 . 1 1 42 42 GLN N N 15 114.3910 0.0000 . 1 . . . A 668 GLN N . 25722 1 169 . 1 1 43 43 LEU H H 1 8.3090 0.0000 . 1 . . . A 669 LEU H . 25722 1 170 . 1 1 43 43 LEU HA H 1 3.3600 0.0000 . 1 . . . A 669 LEU HA . 25722 1 171 . 1 1 43 43 LEU HB2 H 1 1.0000 0.0000 . 2 . . . A 669 LEU HB2 . 25722 1 172 . 1 1 43 43 LEU HB3 H 1 2.7100 0.0000 . 2 . . . A 669 LEU HB3 . 25722 1 173 . 1 1 43 43 LEU HG H 1 1.0000 0.0000 . 1 . . . A 669 LEU HG . 25722 1 174 . 1 1 43 43 LEU HD11 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD11 . 25722 1 175 . 1 1 43 43 LEU HD12 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD12 . 25722 1 176 . 1 1 43 43 LEU HD13 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD13 . 25722 1 177 . 1 1 43 43 LEU HD21 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD21 . 25722 1 178 . 1 1 43 43 LEU HD22 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD22 . 25722 1 179 . 1 1 43 43 LEU HD23 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD23 . 25722 1 180 . 1 1 43 43 LEU N N 15 121.3870 0.0000 . 1 . . . A 669 LEU N . 25722 1 181 . 1 1 44 44 SER H H 1 7.4480 0.0000 . 1 . . . A 670 SER H . 25722 1 182 . 1 1 44 44 SER HA H 1 4.3040 0.0000 . 1 . . . A 670 SER HA . 25722 1 183 . 1 1 44 44 SER HB2 H 1 3.9350 0.0000 . 2 . . . A 670 SER HB2 . 25722 1 184 . 1 1 44 44 SER HB3 H 1 3.9350 0.0000 . 2 . . . A 670 SER HB3 . 25722 1 185 . 1 1 44 44 SER N N 15 112.3050 0.0000 . 1 . . . A 670 SER N . 25722 1 186 . 1 1 45 45 GLU H H 1 7.8310 0.0000 . 1 . . . A 671 GLU H . 25722 1 187 . 1 1 45 45 GLU HA H 1 4.0110 0.0000 . 1 . . . A 671 GLU HA . 25722 1 188 . 1 1 45 45 GLU HB2 H 1 2.0030 0.0000 . 2 . . . A 671 GLU HB2 . 25722 1 189 . 1 1 45 45 GLU HB3 H 1 2.0030 0.0000 . 2 . . . A 671 GLU HB3 . 25722 1 190 . 1 1 45 45 GLU HG2 H 1 2.3790 0.0000 . 2 . . . A 671 GLU HG2 . 25722 1 191 . 1 1 45 45 GLU HG3 H 1 2.3790 0.0000 . 2 . . . A 671 GLU HG3 . 25722 1 192 . 1 1 45 45 GLU N N 15 120.7490 0.0000 . 1 . . . A 671 GLU N . 25722 1 193 . 1 1 46 46 ALA H H 1 7.7280 0.0000 . 1 . . . A 672 ALA H . 25722 1 194 . 1 1 46 46 ALA HA H 1 4.0840 0.0000 . 1 . . . A 672 ALA HA . 25722 1 195 . 1 1 46 46 ALA HB1 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB1 . 25722 1 196 . 1 1 46 46 ALA HB2 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB2 . 25722 1 197 . 1 1 46 46 ALA HB3 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB3 . 25722 1 198 . 1 1 46 46 ALA N N 15 119.6880 0.0000 . 1 . . . A 672 ALA N . 25722 1 199 . 1 1 47 47 LEU H H 1 8.1660 0.0000 . 1 . . . A 673 LEU H . 25722 1 200 . 1 1 47 47 LEU HA H 1 3.3700 0.0000 . 1 . . . A 673 LEU HA . 25722 1 201 . 1 1 47 47 LEU HB2 H 1 1.8700 0.0000 . 2 . . . A 673 LEU HB2 . 25722 1 202 . 1 1 47 47 LEU HB3 H 1 1.8700 0.0000 . 2 . . . A 673 LEU HB3 . 25722 1 203 . 1 1 47 47 LEU HD11 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD11 . 25722 1 204 . 1 1 47 47 LEU HD12 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD12 . 25722 1 205 . 1 1 47 47 LEU HD13 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD13 . 25722 1 206 . 1 1 47 47 LEU HD21 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD21 . 25722 1 207 . 1 1 47 47 LEU HD22 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD22 . 25722 1 208 . 1 1 47 47 LEU HD23 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD23 . 25722 1 209 . 1 1 47 47 LEU N N 15 119.2580 0.0000 . 1 . . . A 673 LEU N . 25722 1 210 . 1 1 48 48 LEU H H 1 7.7800 0.0000 . 1 . . . A 674 LEU H . 25722 1 211 . 1 1 48 48 LEU HA H 1 3.8260 0.0000 . 1 . . . A 674 LEU HA . 25722 1 212 . 1 1 48 48 LEU N N 15 121.4990 0.0000 . 1 . . . A 674 LEU N . 25722 1 213 . 1 1 49 49 SER H H 1 8.2770 0.0000 . 1 . . . A 675 SER H . 25722 1 214 . 1 1 49 49 SER HA H 1 4.6940 0.0000 . 1 . . . A 675 SER HA . 25722 1 215 . 1 1 49 49 SER HB2 H 1 3.8920 0.0000 . 2 . . . A 675 SER HB2 . 25722 1 216 . 1 1 49 49 SER HB3 H 1 3.8920 0.0000 . 2 . . . A 675 SER HB3 . 25722 1 217 . 1 1 49 49 SER N N 15 109.7420 0.0000 . 1 . . . A 675 SER N . 25722 1 218 . 1 1 50 50 LEU H H 1 7.7800 0.0000 . 1 . . . A 676 LEU H . 25722 1 219 . 1 1 50 50 LEU HA H 1 4.0450 0.0000 . 1 . . . A 676 LEU HA . 25722 1 220 . 1 1 50 50 LEU HB2 H 1 1.4600 0.0000 . 2 . . . A 676 LEU HB2 . 25722 1 221 . 1 1 50 50 LEU HB3 H 1 1.4600 0.0000 . 2 . . . A 676 LEU HB3 . 25722 1 222 . 1 1 50 50 LEU HG H 1 1.4600 0.0000 . 1 . . . A 676 LEU HG . 25722 1 223 . 1 1 50 50 LEU N N 15 121.8110 0.0000 . 1 . . . A 676 LEU N . 25722 1 224 . 1 1 51 51 ASN H H 1 7.7100 0.0000 . 1 . . . A 677 ASN H . 25722 1 225 . 1 1 51 51 ASN HA H 1 4.8050 0.0000 . 1 . . . A 677 ASN HA . 25722 1 226 . 1 1 51 51 ASN HB2 H 1 2.4820 0.0000 . 2 . . . A 677 ASN HB2 . 25722 1 227 . 1 1 51 51 ASN HB3 H 1 2.7910 0.0000 . 2 . . . A 677 ASN HB3 . 25722 1 228 . 1 1 51 51 ASN N N 15 122.5260 0.0000 . 1 . . . A 677 ASN N . 25722 1 229 . 1 1 52 52 PHE H H 1 9.3000 0.0000 . 1 . . . A 678 PHE H . 25722 1 230 . 1 1 52 52 PHE HA H 1 4.4700 0.0000 . 1 . . . A 678 PHE HA . 25722 1 231 . 1 1 52 52 PHE N N 15 128.5500 0.0000 . 1 . . . A 678 PHE N . 25722 1 stop_ save_