################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17621 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2y4q/ebi/ef_shift.csh' _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 NOESY' 1 $sample_1 solution 17621 1 2 '2D TOCSY' 1 $sample_1 solution 17621 1 3 '2D DQF COSY' 1 $sample_1 solution 17621 1 4 '2D HSQC 15N' 1 $sample_1 solution 17621 1 5 '2D HSQC 13C' 1 $sample_1 solution 17621 1 6 '3D HNCACB' 1 $sample_1 solution 17621 1 7 '3D CBCACONH' 1 $sample_1 solution 17621 1 8 '3D HNCO' 1 $sample_1 solution 17621 1 9 '3D HNCACO' 1 $sample_1 solution 17621 1 10 '3D HBHACONH' 1 $sample_1 solution 17621 1 11 '3D HNHB' 1 $sample_1 solution 17621 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 N N 15 108.400 0.010 . 1 . . . . 714 GLY N . 17621 1 2 . 1 1 2 2 GLY H H 1 8.651 0.001 . 1 . . . . 715 GLY H . 17621 1 3 . 1 1 2 2 GLY CA C 13 44.980 0.010 . 1 . . . . 715 GLY CA . 17621 1 4 . 1 1 3 3 SER H H 1 8.527 0.001 . 1 . . . . 716 SER H . 17621 1 5 . 1 1 3 3 SER HA H 1 4.503 0.001 . 1 . . . . 716 SER HA . 17621 1 6 . 1 1 3 3 SER CA C 13 58.330 0.010 . 1 . . . . 716 SER CA . 17621 1 7 . 1 1 3 3 SER CB C 13 63.850 0.010 . 1 . . . . 716 SER CB . 17621 1 8 . 1 1 3 3 SER N N 15 116.040 0.010 . 1 . . . . 716 SER N . 17621 1 9 . 1 1 4 4 LEU H H 1 8.490 0.001 . 1 . . . . 717 LEU H . 17621 1 10 . 1 1 4 4 LEU HA H 1 4.407 0.001 . 1 . . . . 717 LEU HA . 17621 1 11 . 1 1 4 4 LEU HB2 H 1 1.444 0.001 . 1 . . . . 717 LEU HB2 . 17621 1 12 . 1 1 4 4 LEU HB3 H 1 1.624 0.001 . 1 . . . . 717 LEU HB3 . 17621 1 13 . 1 1 4 4 LEU HG H 1 1.575 0.001 . 1 . . . . 717 LEU HG . 17621 1 14 . 1 1 4 4 LEU CA C 13 54.770 0.010 . 1 . . . . 717 LEU CA . 17621 1 15 . 1 1 4 4 LEU CB C 13 43.300 0.010 . 1 . . . . 717 LEU CB . 17621 1 16 . 1 1 4 4 LEU CD2 C 13 22.790 0.010 . 1 . . . . 717 LEU CD2 . 17621 1 17 . 1 1 4 4 LEU N N 15 124.310 0.010 . 1 . . . . 717 LEU N . 17621 1 18 . 1 1 5 5 LYS H H 1 8.271 0.001 . 1 . . . . 718 LYS H . 17621 1 19 . 1 1 5 5 LYS HA H 1 4.498 0.001 . 1 . . . . 718 LYS HA . 17621 1 20 . 1 1 5 5 LYS HB2 H 1 2.023 0.001 . 2 . . . . 718 LYS HB2 . 17621 1 21 . 1 1 5 5 LYS HB3 H 1 1.930 0.001 . 2 . . . . 718 LYS HB3 . 17621 1 22 . 1 1 5 5 LYS HG2 H 1 1.507 0.001 . 2 . . . . 718 LYS HG2 . 17621 1 23 . 1 1 5 5 LYS HG3 H 1 1.595 0.001 . 2 . . . . 718 LYS HG3 . 17621 1 24 . 1 1 5 5 LYS CA C 13 54.840 0.010 . 1 . . . . 718 LYS CA . 17621 1 25 . 1 1 5 5 LYS CB C 13 33.580 0.010 . 1 . . . . 718 LYS CB . 17621 1 26 . 1 1 5 5 LYS N N 15 122.470 0.010 . 1 . . . . 718 LYS N . 17621 1 27 . 1 1 6 6 LYS H H 1 8.897 0.001 . 1 . . . . 719 LYS H . 17621 1 28 . 1 1 6 6 LYS HA H 1 3.860 0.001 . 1 . . . . 719 LYS HA . 17621 1 29 . 1 1 6 6 LYS HB2 H 1 1.911 0.001 . 2 . . . . 719 LYS HB2 . 17621 1 30 . 1 1 6 6 LYS HB3 H 1 1.839 0.001 . 2 . . . . 719 LYS HB3 . 17621 1 31 . 1 1 6 6 LYS HG2 H 1 1.431 0.001 . 2 . . . . 719 LYS HG2 . 17621 1 32 . 1 1 6 6 LYS HG3 H 1 1.380 0.001 . 2 . . . . 719 LYS HG3 . 17621 1 33 . 1 1 6 6 LYS HD2 H 1 1.645 0.001 . 2 . . . . 719 LYS HD2 . 17621 1 34 . 1 1 6 6 LYS HD3 H 1 1.725 0.001 . 2 . . . . 719 LYS HD3 . 17621 1 35 . 1 1 6 6 LYS CA C 13 59.380 0.010 . 1 . . . . 719 LYS CA . 17621 1 36 . 1 1 6 6 LYS CB C 13 33.130 0.010 . 1 . . . . 719 LYS CB . 17621 1 37 . 1 1 6 6 LYS N N 15 124.350 0.010 . 1 . . . . 719 LYS N . 17621 1 38 . 1 1 7 7 ASN H H 1 8.770 0.001 . 1 . . . . 720 ASN H . 17621 1 39 . 1 1 7 7 ASN HA H 1 4.545 0.001 . 1 . . . . 720 ASN HA . 17621 1 40 . 1 1 7 7 ASN HD21 H 1 6.909 0.001 . 1 . . . . 720 ASN HD21 . 17621 1 41 . 1 1 7 7 ASN HD22 H 1 7.852 0.001 . 1 . . . . 720 ASN HD22 . 17621 1 42 . 1 1 8 8 THR H H 1 7.417 0.001 . 1 . . . . 721 THR H . 17621 1 43 . 1 1 8 8 THR HA H 1 3.685 0.001 . 1 . . . . 721 THR HA . 17621 1 44 . 1 1 8 8 THR HB H 1 4.283 0.001 . 1 . . . . 721 THR HB . 17621 1 45 . 1 1 9 9 VAL H H 1 7.808 0.001 . 1 . . . . 722 VAL H . 17621 1 46 . 1 1 9 9 VAL HA H 1 3.548 0.001 . 1 . . . . 722 VAL HA . 17621 1 47 . 1 1 9 9 VAL HB H 1 2.188 0.001 . 1 . . . . 722 VAL HB . 17621 1 48 . 1 1 9 9 VAL CA C 13 66.890 0.010 . 1 . . . . 722 VAL CA . 17621 1 49 . 1 1 9 9 VAL CB C 13 29.510 0.010 . 1 . . . . 722 VAL CB . 17621 1 50 . 1 1 9 9 VAL CG1 C 13 19.810 0.010 . 1 . . . . 722 VAL CG1 . 17621 1 51 . 1 1 9 9 VAL CG2 C 13 24.960 0.010 . 1 . . . . 722 VAL CG2 . 17621 1 52 . 1 1 9 9 VAL N N 15 121.190 0.010 . 1 . . . . 722 VAL N . 17621 1 53 . 1 1 10 10 ASP H H 1 8.688 0.001 . 1 . . . . 723 ASP H . 17621 1 54 . 1 1 10 10 ASP HA H 1 4.458 0.001 . 1 . . . . 723 ASP HA . 17621 1 55 . 1 1 10 10 ASP HB2 H 1 2.746 0.001 . 2 . . . . 723 ASP HB2 . 17621 1 56 . 1 1 10 10 ASP HB3 H 1 2.778 0.001 . 2 . . . . 723 ASP HB3 . 17621 1 57 . 1 1 10 10 ASP CA C 13 57.020 0.010 . 1 . . . . 723 ASP CA . 17621 1 58 . 1 1 10 10 ASP CB C 13 39.770 0.010 . 1 . . . . 723 ASP CB . 17621 1 59 . 1 1 10 10 ASP N N 15 121.510 0.010 . 1 . . . . 723 ASP N . 17621 1 60 . 1 1 11 11 ASP H H 1 8.498 0.001 . 1 . . . . 724 ASP H . 17621 1 61 . 1 1 11 11 ASP HA H 1 4.529 0.001 . 1 . . . . 724 ASP HA . 17621 1 62 . 1 1 11 11 ASP HB2 H 1 2.826 0.001 . 2 . . . . 724 ASP HB2 . 17621 1 63 . 1 1 11 11 ASP HB3 H 1 2.453 0.001 . 2 . . . . 724 ASP HB3 . 17621 1 64 . 1 1 11 11 ASP CA C 13 57.100 0.010 . 1 . . . . 724 ASP CA . 17621 1 65 . 1 1 11 11 ASP N N 15 122.620 0.010 . 1 . . . . 724 ASP N . 17621 1 66 . 1 1 12 12 ILE H H 1 8.215 0.001 . 1 . . . . 725 ILE H . 17621 1 67 . 1 1 12 12 ILE HA H 1 3.512 0.001 . 1 . . . . 725 ILE HA . 17621 1 68 . 1 1 12 12 ILE HB H 1 1.825 0.001 . 1 . . . . 725 ILE HB . 17621 1 69 . 1 1 12 12 ILE CA C 13 65.460 0.010 . 1 . . . . 725 ILE CA . 17621 1 70 . 1 1 12 12 ILE CG2 C 13 15.590 0.010 . 1 . . . . 725 ILE CG2 . 17621 1 71 . 1 1 12 12 ILE N N 15 120.590 0.010 . 1 . . . . 725 ILE N . 17621 1 72 . 1 1 13 13 SER H H 1 8.299 0.001 . 1 . . . . 726 SER H . 17621 1 73 . 1 1 13 13 SER HA H 1 4.050 0.001 . 1 . . . . 726 SER HA . 17621 1 74 . 1 1 13 13 SER CA C 13 59.470 0.010 . 1 . . . . 726 SER CA . 17621 1 75 . 1 1 13 13 SER CB C 13 63.180 0.010 . 1 . . . . 726 SER CB . 17621 1 76 . 1 1 13 13 SER N N 15 116.010 0.010 . 1 . . . . 726 SER N . 17621 1 77 . 1 1 14 14 GLU H H 1 7.938 0.001 . 1 . . . . 727 GLU H . 17621 1 78 . 1 1 14 14 GLU HA H 1 4.148 0.001 . 1 . . . . 727 GLU HA . 17621 1 79 . 1 1 14 14 GLU HB2 H 1 2.126 0.001 . 2 . . . . 727 GLU HB2 . 17621 1 80 . 1 1 14 14 GLU HB3 H 1 2.085 0.001 . 2 . . . . 727 GLU HB3 . 17621 1 81 . 1 1 14 14 GLU CA C 13 58.750 0.010 . 1 . . . . 727 GLU CA . 17621 1 82 . 1 1 14 14 GLU CB C 13 29.170 0.010 . 1 . . . . 727 GLU CB . 17621 1 83 . 1 1 14 14 GLU N N 15 121.040 0.010 . 1 . . . . 727 GLU N . 17621 1 84 . 1 1 15 15 SER H H 1 7.990 0.001 . 1 . . . . 728 SER H . 17621 1 85 . 1 1 15 15 SER HA H 1 4.136 0.001 . 1 . . . . 728 SER HA . 17621 1 86 . 1 1 15 15 SER HB2 H 1 3.799 0.001 . 2 . . . . 728 SER HB2 . 17621 1 87 . 1 1 15 15 SER HB3 H 1 3.724 0.001 . 2 . . . . 728 SER HB3 . 17621 1 88 . 1 1 15 15 SER CA C 13 62.590 0.010 . 1 . . . . 728 SER CA . 17621 1 89 . 1 1 15 15 SER N N 15 117.340 0.010 . 1 . . . . 728 SER N . 17621 1 90 . 1 1 16 16 LEU H H 1 8.552 0.001 . 1 . . . . 729 LEU H . 17621 1 91 . 1 1 16 16 LEU HA H 1 3.724 0.001 . 1 . . . . 729 LEU HA . 17621 1 92 . 1 1 16 16 LEU HB2 H 1 1.729 0.001 . 1 . . . . 729 LEU HB2 . 17621 1 93 . 1 1 16 16 LEU HB3 H 1 1.129 0.001 . 1 . . . . 729 LEU HB3 . 17621 1 94 . 1 1 16 16 LEU HG H 1 1.480 0.001 . 1 . . . . 729 LEU HG . 17621 1 95 . 1 1 16 16 LEU CA C 13 57.700 0.010 . 1 . . . . 729 LEU CA . 17621 1 96 . 1 1 16 16 LEU CB C 13 41.930 0.010 . 1 . . . . 729 LEU CB . 17621 1 97 . 1 1 16 16 LEU CD1 C 13 24.100 0.010 . 1 . . . . 729 LEU CD1 . 17621 1 98 . 1 1 16 16 LEU CD2 C 13 21.600 0.010 . 1 . . . . 729 LEU CD2 . 17621 1 99 . 1 1 16 16 LEU N N 15 121.370 0.010 . 1 . . . . 729 LEU N . 17621 1 100 . 1 1 17 17 ARG H H 1 7.987 0.001 . 1 . . . . 730 ARG H . 17621 1 101 . 1 1 17 17 ARG HA H 1 4.025 0.001 . 1 . . . . 730 ARG HA . 17621 1 102 . 1 1 17 17 ARG HB2 H 1 1.723 0.001 . 2 . . . . 730 ARG HB2 . 17621 1 103 . 1 1 17 17 ARG HB3 H 1 1.963 0.001 . 2 . . . . 730 ARG HB3 . 17621 1 104 . 1 1 17 17 ARG HD2 H 1 3.253 0.001 . 2 . . . . 730 ARG HD2 . 17621 1 105 . 1 1 17 17 ARG HD3 H 1 3.194 0.001 . 2 . . . . 730 ARG HD3 . 17621 1 106 . 1 1 17 17 ARG HE H 1 7.604 0.001 . 1 . . . . 730 ARG HE . 17621 1 107 . 1 1 17 17 ARG CA C 13 59.070 0.010 . 1 . . . . 730 ARG CA . 17621 1 108 . 1 1 17 17 ARG CB C 13 29.740 0.010 . 1 . . . . 730 ARG CB . 17621 1 109 . 1 1 17 17 ARG N N 15 120.240 0.010 . 1 . . . . 730 ARG N . 17621 1 110 . 1 1 18 18 GLN H H 1 8.067 0.001 . 1 . . . . 731 GLN H . 17621 1 111 . 1 1 18 18 GLN HA H 1 4.153 0.001 . 1 . . . . 731 GLN HA . 17621 1 112 . 1 1 18 18 GLN HB2 H 1 2.150 0.001 . 2 . . . . 731 GLN HB2 . 17621 1 113 . 1 1 18 18 GLN HB3 H 1 2.213 0.001 . 2 . . . . 731 GLN HB3 . 17621 1 114 . 1 1 18 18 GLN HG2 H 1 2.539 0.001 . 2 . . . . 731 GLN HG2 . 17621 1 115 . 1 1 18 18 GLN HG3 H 1 2.447 0.001 . 2 . . . . 731 GLN HG3 . 17621 1 116 . 1 1 18 18 GLN HE21 H 1 6.841 0.001 . 1 . . . . 731 GLN HE21 . 17621 1 117 . 1 1 18 18 GLN HE22 H 1 7.607 0.001 . 1 . . . . 731 GLN HE22 . 17621 1 118 . 1 1 18 18 GLN CA C 13 57.750 0.010 . 1 . . . . 731 GLN CA . 17621 1 119 . 1 1 18 18 GLN CB C 13 28.270 0.010 . 1 . . . . 731 GLN CB . 17621 1 120 . 1 1 18 18 GLN N N 15 118.960 0.010 . 1 . . . . 731 GLN N . 17621 1 121 . 1 1 19 19 GLY H H 1 7.834 0.001 . 1 . . . . 732 GLY H . 17621 1 122 . 1 1 19 19 GLY HA3 H 1 3.724 0.001 . 1 . . . . 732 GLY HA3 . 17621 1 123 . 1 1 19 19 GLY CA C 13 44.920 0.010 . 1 . . . . 732 GLY CA . 17621 1 124 . 1 1 19 19 GLY N N 15 106.040 0.010 . 1 . . . . 732 GLY N . 17621 1 125 . 1 1 20 20 GLY H H 1 7.696 0.001 . 1 . . . . 733 GLY H . 17621 1 126 . 1 1 20 20 GLY HA3 H 1 3.902 0.001 . 1 . . . . 733 GLY HA3 . 17621 1 127 . 1 1 20 20 GLY CA C 13 45.820 0.010 . 1 . . . . 733 GLY CA . 17621 1 128 . 1 1 20 20 GLY N N 15 106.660 0.010 . 1 . . . . 733 GLY N . 17621 1 129 . 1 1 21 21 GLY H H 1 8.683 0.001 . 1 . . . . 734 GLY H . 17621 1 130 . 1 1 21 21 GLY HA3 H 1 3.506 0.001 . 1 . . . . 734 GLY HA3 . 17621 1 131 . 1 1 21 21 GLY CA C 13 44.990 0.010 . 1 . . . . 734 GLY CA . 17621 1 132 . 1 1 21 21 GLY N N 15 106.660 0.010 . 1 . . . . 734 GLY N . 17621 1 133 . 1 1 22 22 LYS H H 1 7.308 0.001 . 1 . . . . 735 LYS H . 17621 1 134 . 1 1 22 22 LYS HA H 1 5.144 0.001 . 1 . . . . 735 LYS HA . 17621 1 135 . 1 1 22 22 LYS HB2 H 1 1.564 0.001 . 2 . . . . 735 LYS HB2 . 17621 1 136 . 1 1 22 22 LYS HB3 H 1 1.823 0.001 . 2 . . . . 735 LYS HB3 . 17621 1 137 . 1 1 22 22 LYS CA C 13 55.060 0.010 . 1 . . . . 735 LYS CA . 17621 1 138 . 1 1 22 22 LYS CB C 13 34.920 0.010 . 1 . . . . 735 LYS CB . 17621 1 139 . 1 1 22 22 LYS N N 15 117.470 0.010 . 1 . . . . 735 LYS N . 17621 1 140 . 1 1 23 23 LEU H H 1 8.253 0.001 . 1 . . . . 736 LEU H . 17621 1 141 . 1 1 23 23 LEU HA H 1 4.831 0.001 . 1 . . . . 736 LEU HA . 17621 1 142 . 1 1 23 23 LEU HB2 H 1 1.438 0.001 . 2 . . . . 736 LEU HB2 . 17621 1 143 . 1 1 23 23 LEU HB3 H 1 1.603 0.001 . 2 . . . . 736 LEU HB3 . 17621 1 144 . 1 1 23 23 LEU HG H 1 1.589 0.001 . 1 . . . . 736 LEU HG . 17621 1 145 . 1 1 23 23 LEU CA C 13 53.880 0.010 . 1 . . . . 736 LEU CA . 17621 1 146 . 1 1 23 23 LEU CB C 13 47.840 0.010 . 1 . . . . 736 LEU CB . 17621 1 147 . 1 1 23 23 LEU CD1 C 13 22.880 0.010 . 1 . . . . 736 LEU CD1 . 17621 1 148 . 1 1 23 23 LEU CD2 C 13 22.630 0.010 . 1 . . . . 736 LEU CD2 . 17621 1 149 . 1 1 23 23 LEU N N 15 120.090 0.010 . 1 . . . . 736 LEU N . 17621 1 150 . 1 1 24 24 ASN H H 1 8.959 0.001 . 1 . . . . 737 ASN H . 17621 1 151 . 1 1 24 24 ASN HA H 1 5.126 0.001 . 1 . . . . 737 ASN HA . 17621 1 152 . 1 1 24 24 ASN HB2 H 1 2.958 0.001 . 2 . . . . 737 ASN HB2 . 17621 1 153 . 1 1 24 24 ASN HB3 H 1 3.305 0.001 . 2 . . . . 737 ASN HB3 . 17621 1 154 . 1 1 24 24 ASN HD21 H 1 7.025 0.001 . 1 . . . . 737 ASN HD21 . 17621 1 155 . 1 1 24 24 ASN HD22 H 1 7.583 0.001 . 1 . . . . 737 ASN HD22 . 17621 1 156 . 1 1 24 24 ASN CA C 13 51.950 0.010 . 1 . . . . 737 ASN CA . 17621 1 157 . 1 1 24 24 ASN CB C 13 39.030 0.010 . 1 . . . . 737 ASN CB . 17621 1 158 . 1 1 24 24 ASN N N 15 120.680 0.010 . 1 . . . . 737 ASN N . 17621 1 159 . 1 1 25 25 PHE H H 1 8.388 0.001 . 1 . . . . 738 PHE H . 17621 1 160 . 1 1 25 25 PHE HA H 1 3.723 0.001 . 1 . . . . 738 PHE HA . 17621 1 161 . 1 1 25 25 PHE HB2 H 1 2.587 0.001 . 1 . . . . 738 PHE HB2 . 17621 1 162 . 1 1 25 25 PHE HB3 H 1 2.800 0.001 . 1 . . . . 738 PHE HB3 . 17621 1 163 . 1 1 25 25 PHE HZ H 1 7.188 0.001 . 1 . . . . 738 PHE HZ . 17621 1 164 . 1 1 25 25 PHE CA C 13 60.170 0.010 . 1 . . . . 738 PHE CA . 17621 1 165 . 1 1 25 25 PHE CB C 13 38.380 0.010 . 1 . . . . 738 PHE CB . 17621 1 166 . 1 1 25 25 PHE N N 15 119.070 0.010 . 1 . . . . 738 PHE N . 17621 1 167 . 1 1 26 26 ASP H H 1 8.341 0.001 . 1 . . . . 739 ASP H . 17621 1 168 . 1 1 26 26 ASP HA H 1 4.207 0.001 . 1 . . . . 739 ASP HA . 17621 1 169 . 1 1 26 26 ASP HB2 H 1 2.704 0.001 . 2 . . . . 739 ASP HB2 . 17621 1 170 . 1 1 26 26 ASP HB3 H 1 2.650 0.001 . 2 . . . . 739 ASP HB3 . 17621 1 171 . 1 1 26 26 ASP CA C 13 57.880 0.010 . 1 . . . . 739 ASP CA . 17621 1 172 . 1 1 26 26 ASP CB C 13 40.400 0.010 . 1 . . . . 739 ASP CB . 17621 1 173 . 1 1 26 26 ASP N N 15 118.180 0.010 . 1 . . . . 739 ASP N . 17621 1 174 . 1 1 27 27 GLU H H 1 8.265 0.001 . 1 . . . . 740 GLU H . 17621 1 175 . 1 1 27 27 GLU HA H 1 4.012 0.001 . 1 . . . . 740 GLU HA . 17621 1 176 . 1 1 27 27 GLU HB2 H 1 2.021 0.001 . 1 . . . . 740 GLU HB2 . 17621 1 177 . 1 1 27 27 GLU HB3 H 1 2.175 0.001 . 1 . . . . 740 GLU HB3 . 17621 1 178 . 1 1 27 27 GLU HG2 H 1 2.322 0.001 . 2 . . . . 740 GLU HG2 . 17621 1 179 . 1 1 27 27 GLU HG3 H 1 2.500 0.001 . 2 . . . . 740 GLU HG3 . 17621 1 180 . 1 1 27 27 GLU CA C 13 58.840 0.010 . 1 . . . . 740 GLU CA . 17621 1 181 . 1 1 27 27 GLU CB C 13 30.010 0.010 . 1 . . . . 740 GLU CB . 17621 1 182 . 1 1 27 27 GLU N N 15 119.850 0.010 . 1 . . . . 740 GLU N . 17621 1 183 . 1 1 28 28 LEU H H 1 8.346 0.001 . 1 . . . . 741 LEU H . 17621 1 184 . 1 1 28 28 LEU HA H 1 4.058 0.001 . 1 . . . . 741 LEU HA . 17621 1 185 . 1 1 28 28 LEU HB2 H 1 1.777 0.001 . 1 . . . . 741 LEU HB2 . 17621 1 186 . 1 1 28 28 LEU HB3 H 1 1.578 0.001 . 1 . . . . 741 LEU HB3 . 17621 1 187 . 1 1 28 28 LEU HG H 1 1.589 0.001 . 1 . . . . 741 LEU HG . 17621 1 188 . 1 1 28 28 LEU CA C 13 57.620 0.010 . 1 . . . . 741 LEU CA . 17621 1 189 . 1 1 28 28 LEU CB C 13 41.540 0.010 . 1 . . . . 741 LEU CB . 17621 1 190 . 1 1 28 28 LEU CD1 C 13 22.670 0.010 . 1 . . . . 741 LEU CD1 . 17621 1 191 . 1 1 28 28 LEU N N 15 120.870 0.010 . 1 . . . . 741 LEU N . 17621 1 192 . 1 1 29 29 ARG H H 1 8.987 0.001 . 1 . . . . 742 ARG H . 17621 1 193 . 1 1 29 29 ARG HA H 1 3.739 0.001 . 1 . . . . 742 ARG HA . 17621 1 194 . 1 1 29 29 ARG HB2 H 1 1.773 0.001 . 1 . . . . 742 ARG HB2 . 17621 1 195 . 1 1 29 29 ARG HB3 H 1 1.518 0.001 . 1 . . . . 742 ARG HB3 . 17621 1 196 . 1 1 29 29 ARG HG2 H 1 1.428 0.001 . 2 . . . . 742 ARG HG2 . 17621 1 197 . 1 1 29 29 ARG HG3 H 1 1.506 0.001 . 2 . . . . 742 ARG HG3 . 17621 1 198 . 1 1 29 29 ARG HE H 1 7.629 0.001 . 1 . . . . 742 ARG HE . 17621 1 199 . 1 1 29 29 ARG CA C 13 59.920 0.010 . 1 . . . . 742 ARG CA . 17621 1 200 . 1 1 29 29 ARG CB C 13 29.620 0.010 . 1 . . . . 742 ARG CB . 17621 1 201 . 1 1 29 29 ARG N N 15 119.180 0.010 . 1 . . . . 742 ARG N . 17621 1 202 . 1 1 30 30 GLN H H 1 7.695 0.001 . 1 . . . . 743 GLN H . 17621 1 203 . 1 1 30 30 GLN HA H 1 3.967 0.001 . 1 . . . . 743 GLN HA . 17621 1 204 . 1 1 30 30 GLN HE21 H 1 6.863 0.001 . 1 . . . . 743 GLN HE21 . 17621 1 205 . 1 1 30 30 GLN HE22 H 1 7.531 0.001 . 1 . . . . 743 GLN HE22 . 17621 1 206 . 1 1 30 30 GLN CA C 13 58.800 0.010 . 1 . . . . 743 GLN CA . 17621 1 207 . 1 1 30 30 GLN CB C 13 28.190 0.010 . 1 . . . . 743 GLN CB . 17621 1 208 . 1 1 30 30 GLN N N 15 116.390 0.010 . 1 . . . . 743 GLN N . 17621 1 209 . 1 1 31 31 ASP H H 1 7.830 0.001 . 1 . . . . 744 ASP H . 17621 1 210 . 1 1 31 31 ASP HA H 1 4.441 0.001 . 1 . . . . 744 ASP HA . 17621 1 211 . 1 1 31 31 ASP HB2 H 1 2.815 0.001 . 2 . . . . 744 ASP HB2 . 17621 1 212 . 1 1 31 31 ASP HB3 H 1 2.651 0.001 . 2 . . . . 744 ASP HB3 . 17621 1 213 . 1 1 31 31 ASP CA C 13 56.880 0.010 . 1 . . . . 744 ASP CA . 17621 1 214 . 1 1 31 31 ASP CB C 13 41.070 0.010 . 1 . . . . 744 ASP CB . 17621 1 215 . 1 1 31 31 ASP N N 15 119.790 0.010 . 1 . . . . 744 ASP N . 17621 1 216 . 1 1 32 32 LEU H H 1 8.619 0.001 . 1 . . . . 745 LEU H . 17621 1 217 . 1 1 32 32 LEU HA H 1 4.118 0.001 . 1 . . . . 745 LEU HA . 17621 1 218 . 1 1 32 32 LEU HB2 H 1 1.117 0.001 . 1 . . . . 745 LEU HB2 . 17621 1 219 . 1 1 32 32 LEU HB3 H 1 1.852 0.001 . 1 . . . . 745 LEU HB3 . 17621 1 220 . 1 1 32 32 LEU HG H 1 1.897 0.001 . 1 . . . . 745 LEU HG . 17621 1 221 . 1 1 32 32 LEU CA C 13 57.370 0.010 . 1 . . . . 745 LEU CA . 17621 1 222 . 1 1 32 32 LEU CB C 13 41.410 0.010 . 1 . . . . 745 LEU CB . 17621 1 223 . 1 1 32 32 LEU CD1 C 13 24.100 0.010 . 1 . . . . 745 LEU CD1 . 17621 1 224 . 1 1 32 32 LEU CD2 C 13 20.450 0.010 . 1 . . . . 745 LEU CD2 . 17621 1 225 . 1 1 32 32 LEU N N 15 116.790 0.010 . 1 . . . . 745 LEU N . 17621 1 226 . 1 1 33 33 LYS H H 1 8.840 0.001 . 1 . . . . 746 LYS H . 17621 1 227 . 1 1 33 33 LYS HA H 1 4.442 0.001 . 1 . . . . 746 LYS HA . 17621 1 228 . 1 1 33 33 LYS HG2 H 1 1.430 0.001 . 2 . . . . 746 LYS HG2 . 17621 1 229 . 1 1 33 33 LYS HG3 H 1 1.621 0.001 . 2 . . . . 746 LYS HG3 . 17621 1 230 . 1 1 33 33 LYS HD2 H 1 1.783 0.001 . 2 . . . . 746 LYS HD2 . 17621 1 231 . 1 1 33 33 LYS HD3 H 1 1.607 0.001 . 2 . . . . 746 LYS HD3 . 17621 1 232 . 1 1 33 33 LYS HE2 H 1 2.992 0.001 . 2 . . . . 746 LYS HE2 . 17621 1 233 . 1 1 33 33 LYS HE3 H 1 2.965 0.001 . 2 . . . . 746 LYS HE3 . 17621 1 234 . 1 1 33 33 LYS CA C 13 59.260 0.010 . 1 . . . . 746 LYS CA . 17621 1 235 . 1 1 33 33 LYS CB C 13 30.860 0.010 . 1 . . . . 746 LYS CB . 17621 1 236 . 1 1 33 33 LYS N N 15 123.090 0.010 . 1 . . . . 746 LYS N . 17621 1 237 . 1 1 34 34 GLY H H 1 7.955 0.001 . 1 . . . . 747 GLY H . 17621 1 238 . 1 1 34 34 GLY CA C 13 46.240 0.010 . 1 . . . . 747 GLY CA . 17621 1 239 . 1 1 34 34 GLY N N 15 108.200 0.010 . 1 . . . . 747 GLY N . 17621 1 240 . 1 1 35 35 LYS H H 1 7.301 0.001 . 1 . . . . 748 LYS H . 17621 1 241 . 1 1 35 35 LYS HA H 1 4.460 0.001 . 1 . . . . 748 LYS HA . 17621 1 242 . 1 1 35 35 LYS HB2 H 1 2.369 0.001 . 1 . . . . 748 LYS HB2 . 17621 1 243 . 1 1 35 35 LYS HB3 H 1 1.682 0.001 . 1 . . . . 748 LYS HB3 . 17621 1 244 . 1 1 35 35 LYS HG2 H 1 1.445 0.001 . 2 . . . . 748 LYS HG2 . 17621 1 245 . 1 1 35 35 LYS HG3 H 1 1.473 0.001 . 2 . . . . 748 LYS HG3 . 17621 1 246 . 1 1 35 35 LYS CA C 13 55.700 0.010 . 1 . . . . 748 LYS CA . 17621 1 247 . 1 1 35 35 LYS CB C 13 33.460 0.010 . 1 . . . . 748 LYS CB . 17621 1 248 . 1 1 35 35 LYS N N 15 118.100 0.010 . 1 . . . . 748 LYS N . 17621 1 249 . 1 1 36 36 GLY H H 1 7.808 0.001 . 1 . . . . 749 GLY H . 17621 1 250 . 1 1 36 36 GLY HA3 H 1 3.705 0.001 . 1 . . . . 749 GLY HA3 . 17621 1 251 . 1 1 36 36 GLY CA C 13 45.420 0.010 . 1 . . . . 749 GLY CA . 17621 1 252 . 1 1 36 36 GLY N N 15 106.220 0.010 . 1 . . . . 749 GLY N . 17621 1 253 . 1 1 37 37 HIS H H 1 7.723 0.001 . 1 . . . . 750 HIS H . 17621 1 254 . 1 1 37 37 HIS HA H 1 4.799 0.001 . 1 . . . . 750 HIS HA . 17621 1 255 . 1 1 37 37 HIS HB2 H 1 3.104 0.001 . 1 . . . . 750 HIS HB2 . 17621 1 256 . 1 1 37 37 HIS HB3 H 1 2.670 0.001 . 1 . . . . 750 HIS HB3 . 17621 1 257 . 1 1 37 37 HIS HD2 H 1 7.341 0.001 . 1 . . . . 750 HIS HD2 . 17621 1 258 . 1 1 37 37 HIS HE1 H 1 8.514 0.001 . 1 . . . . 750 HIS HE1 . 17621 1 259 . 1 1 37 37 HIS CA C 13 55.250 0.010 . 1 . . . . 750 HIS CA . 17621 1 260 . 1 1 37 37 HIS CB C 13 29.680 0.010 . 1 . . . . 750 HIS CB . 17621 1 261 . 1 1 37 37 HIS N N 15 118.120 0.010 . 1 . . . . 750 HIS N . 17621 1 262 . 1 1 38 38 THR H H 1 8.969 0.001 . 1 . . . . 751 THR H . 17621 1 263 . 1 1 38 38 THR HA H 1 4.429 0.001 . 1 . . . . 751 THR HA . 17621 1 264 . 1 1 38 38 THR HB H 1 4.719 0.001 . 1 . . . . 751 THR HB . 17621 1 265 . 1 1 38 38 THR CA C 13 60.480 0.010 . 1 . . . . 751 THR CA . 17621 1 266 . 1 1 38 38 THR CB C 13 70.720 0.010 . 1 . . . . 751 THR CB . 17621 1 267 . 1 1 38 38 THR N N 15 113.560 0.010 . 1 . . . . 751 THR N . 17621 1 268 . 1 1 39 39 ASP H H 1 8.810 0.001 . 1 . . . . 752 ASP H . 17621 1 269 . 1 1 39 39 ASP HA H 1 4.326 0.001 . 1 . . . . 752 ASP HA . 17621 1 270 . 1 1 39 39 ASP HB2 H 1 2.710 0.001 . 2 . . . . 752 ASP HB2 . 17621 1 271 . 1 1 39 39 ASP HB3 H 1 2.589 0.001 . 2 . . . . 752 ASP HB3 . 17621 1 272 . 1 1 39 39 ASP CA C 13 58.150 0.010 . 1 . . . . 752 ASP CA . 17621 1 273 . 1 1 39 39 ASP CB C 13 40.270 0.010 . 1 . . . . 752 ASP CB . 17621 1 274 . 1 1 39 39 ASP N N 15 120.280 0.010 . 1 . . . . 752 ASP N . 17621 1 275 . 1 1 40 40 ALA H H 1 8.437 0.001 . 1 . . . . 753 ALA H . 17621 1 276 . 1 1 40 40 ALA HA H 1 4.138 0.001 . 1 . . . . 753 ALA HA . 17621 1 277 . 1 1 40 40 ALA CA C 13 54.940 0.010 . 1 . . . . 753 ALA CA . 17621 1 278 . 1 1 40 40 ALA CB C 13 18.110 0.010 . 1 . . . . 753 ALA CB . 17621 1 279 . 1 1 40 40 ALA N N 15 119.940 0.010 . 1 . . . . 753 ALA N . 17621 1 280 . 1 1 41 41 GLU H H 1 7.788 0.001 . 1 . . . . 754 GLU H . 17621 1 281 . 1 1 41 41 GLU HA H 1 4.050 0.001 . 1 . . . . 754 GLU HA . 17621 1 282 . 1 1 41 41 GLU HB2 H 1 2.258 0.001 . 2 . . . . 754 GLU HB2 . 17621 1 283 . 1 1 41 41 GLU HB3 H 1 2.209 0.001 . 2 . . . . 754 GLU HB3 . 17621 1 284 . 1 1 41 41 GLU CA C 13 59.020 0.010 . 1 . . . . 754 GLU CA . 17621 1 285 . 1 1 41 41 GLU CB C 13 29.620 0.010 . 1 . . . . 754 GLU CB . 17621 1 286 . 1 1 41 41 GLU N N 15 119.930 0.010 . 1 . . . . 754 GLU N . 17621 1 287 . 1 1 42 42 ILE H H 1 8.044 0.001 . 1 . . . . 755 ILE H . 17621 1 288 . 1 1 42 42 ILE HA H 1 3.245 0.001 . 1 . . . . 755 ILE HA . 17621 1 289 . 1 1 42 42 ILE HB H 1 1.824 0.001 . 1 . . . . 755 ILE HB . 17621 1 290 . 1 1 42 42 ILE HG12 H 1 1.789 0.001 . 2 . . . . 755 ILE HG12 . 17621 1 291 . 1 1 42 42 ILE HG13 H 1 0.683 0.001 . 2 . . . . 755 ILE HG13 . 17621 1 292 . 1 1 42 42 ILE CA C 13 65.350 0.010 . 1 . . . . 755 ILE CA . 17621 1 293 . 1 1 42 42 ILE CB C 13 38.200 0.010 . 1 . . . . 755 ILE CB . 17621 1 294 . 1 1 42 42 ILE CG2 C 13 15.450 0.010 . 1 . . . . 755 ILE CG2 . 17621 1 295 . 1 1 42 42 ILE N N 15 118.860 0.010 . 1 . . . . 755 ILE N . 17621 1 296 . 1 1 43 43 GLU H H 1 8.554 0.001 . 1 . . . . 756 GLU H . 17621 1 297 . 1 1 43 43 GLU HA H 1 3.933 0.001 . 1 . . . . 756 GLU HA . 17621 1 298 . 1 1 43 43 GLU HG2 H 1 2.287 0.001 . 2 . . . . 756 GLU HG2 . 17621 1 299 . 1 1 43 43 GLU HG3 H 1 2.358 0.001 . 2 . . . . 756 GLU HG3 . 17621 1 300 . 1 1 43 43 GLU CA C 13 59.570 0.010 . 1 . . . . 756 GLU CA . 17621 1 301 . 1 1 43 43 GLU CB C 13 29.220 0.010 . 1 . . . . 756 GLU CB . 17621 1 302 . 1 1 43 43 GLU N N 15 118.240 0.010 . 1 . . . . 756 GLU N . 17621 1 303 . 1 1 44 44 ALA H H 1 7.650 0.001 . 1 . . . . 757 ALA H . 17621 1 304 . 1 1 44 44 ALA HA H 1 4.149 0.001 . 1 . . . . 757 ALA HA . 17621 1 305 . 1 1 44 44 ALA CA C 13 54.970 0.010 . 1 . . . . 757 ALA CA . 17621 1 306 . 1 1 44 44 ALA CB C 13 17.940 0.010 . 1 . . . . 757 ALA CB . 17621 1 307 . 1 1 44 44 ALA N N 15 120.860 0.010 . 1 . . . . 757 ALA N . 17621 1 308 . 1 1 45 45 ILE H H 1 7.873 0.001 . 1 . . . . 758 ILE H . 17621 1 309 . 1 1 45 45 ILE HA H 1 3.928 0.001 . 1 . . . . 758 ILE HA . 17621 1 310 . 1 1 45 45 ILE HB H 1 2.015 0.001 . 1 . . . . 758 ILE HB . 17621 1 311 . 1 1 45 45 ILE HG12 H 1 1.845 0.001 . 2 . . . . 758 ILE HG12 . 17621 1 312 . 1 1 45 45 ILE HG13 H 1 1.271 0.001 . 2 . . . . 758 ILE HG13 . 17621 1 313 . 1 1 45 45 ILE CA C 13 64.550 0.010 . 1 . . . . 758 ILE CA . 17621 1 314 . 1 1 45 45 ILE CB C 13 38.070 0.010 . 1 . . . . 758 ILE CB . 17621 1 315 . 1 1 45 45 ILE N N 15 119.260 0.010 . 1 . . . . 758 ILE N . 17621 1 316 . 1 1 46 46 PHE H H 1 8.532 0.001 . 1 . . . . 759 PHE H . 17621 1 317 . 1 1 46 46 PHE HA H 1 3.946 0.001 . 1 . . . . 759 PHE HA . 17621 1 318 . 1 1 46 46 PHE HZ H 1 6.893 0.001 . 1 . . . . 759 PHE HZ . 17621 1 319 . 1 1 46 46 PHE CA C 13 60.930 0.010 . 1 . . . . 759 PHE CA . 17621 1 320 . 1 1 46 46 PHE CB C 13 38.550 0.010 . 1 . . . . 759 PHE CB . 17621 1 321 . 1 1 46 46 PHE N N 15 120.430 0.010 . 1 . . . . 759 PHE N . 17621 1 322 . 1 1 47 47 THR H H 1 8.330 0.001 . 1 . . . . 760 THR H . 17621 1 323 . 1 1 47 47 THR HA H 1 3.994 0.001 . 1 . . . . 760 THR HA . 17621 1 324 . 1 1 47 47 THR HB H 1 4.202 0.001 . 1 . . . . 760 THR HB . 17621 1 325 . 1 1 47 47 THR CA C 13 65.600 0.010 . 1 . . . . 760 THR CA . 17621 1 326 . 1 1 47 47 THR CB C 13 68.780 0.010 . 1 . . . . 760 THR CB . 17621 1 327 . 1 1 47 47 THR N N 15 111.050 0.010 . 1 . . . . 760 THR N . 17621 1 328 . 1 1 48 48 LYS H H 1 7.389 0.001 . 1 . . . . 761 LYS H . 17621 1 329 . 1 1 48 48 LYS HA H 1 3.937 0.001 . 1 . . . . 761 LYS HA . 17621 1 330 . 1 1 48 48 LYS HB2 H 1 1.522 0.001 . 2 . . . . 761 LYS HB2 . 17621 1 331 . 1 1 48 48 LYS HB3 H 1 1.655 0.001 . 2 . . . . 761 LYS HB3 . 17621 1 332 . 1 1 48 48 LYS HG2 H 1 0.787 0.001 . 2 . . . . 761 LYS HG2 . 17621 1 333 . 1 1 48 48 LYS HG3 H 1 0.234 0.001 . 2 . . . . 761 LYS HG3 . 17621 1 334 . 1 1 48 48 LYS HD2 H 1 1.402 0.001 . 2 . . . . 761 LYS HD2 . 17621 1 335 . 1 1 48 48 LYS HD3 H 1 1.459 0.001 . 2 . . . . 761 LYS HD3 . 17621 1 336 . 1 1 48 48 LYS HE2 H 1 2.776 0.001 . 2 . . . . 761 LYS HE2 . 17621 1 337 . 1 1 48 48 LYS HE3 H 1 2.750 0.001 . 2 . . . . 761 LYS HE3 . 17621 1 338 . 1 1 48 48 LYS CA C 13 58.550 0.010 . 1 . . . . 761 LYS CA . 17621 1 339 . 1 1 48 48 LYS CB C 13 32.960 0.010 . 1 . . . . 761 LYS CB . 17621 1 340 . 1 1 48 48 LYS N N 15 119.390 0.010 . 1 . . . . 761 LYS N . 17621 1 341 . 1 1 49 49 TYR H H 1 7.857 0.001 . 1 . . . . 762 TYR H . 17621 1 342 . 1 1 49 49 TYR HA H 1 4.487 0.001 . 1 . . . . 762 TYR HA . 17621 1 343 . 1 1 49 49 TYR HB2 H 1 3.099 0.001 . 1 . . . . 762 TYR HB2 . 17621 1 344 . 1 1 49 49 TYR HB3 H 1 2.558 0.001 . 1 . . . . 762 TYR HB3 . 17621 1 345 . 1 1 49 49 TYR CA C 13 60.460 0.010 . 1 . . . . 762 TYR CA . 17621 1 346 . 1 1 49 49 TYR CB C 13 38.320 0.010 . 1 . . . . 762 TYR CB . 17621 1 347 . 1 1 50 50 ASP H H 1 7.881 0.001 . 1 . . . . 763 ASP H . 17621 1 348 . 1 1 50 50 ASP HA H 1 4.963 0.001 . 1 . . . . 763 ASP HA . 17621 1 349 . 1 1 50 50 ASP HB2 H 1 2.912 0.001 . 1 . . . . 763 ASP HB2 . 17621 1 350 . 1 1 50 50 ASP HB3 H 1 2.092 0.001 . 1 . . . . 763 ASP HB3 . 17621 1 351 . 1 1 50 50 ASP CA C 13 52.990 0.010 . 1 . . . . 763 ASP CA . 17621 1 352 . 1 1 50 50 ASP CB C 13 38.980 0.010 . 1 . . . . 763 ASP CB . 17621 1 353 . 1 1 50 50 ASP N N 15 120.830 0.010 . 1 . . . . 763 ASP N . 17621 1 354 . 1 1 51 51 GLN H H 1 7.926 0.001 . 1 . . . . 764 GLN H . 17621 1 355 . 1 1 51 51 GLN HA H 1 3.990 0.001 . 1 . . . . 764 GLN HA . 17621 1 356 . 1 1 51 51 GLN HB2 H 1 2.251 0.001 . 2 . . . . 764 GLN HB2 . 17621 1 357 . 1 1 51 51 GLN HB3 H 1 2.104 0.001 . 2 . . . . 764 GLN HB3 . 17621 1 358 . 1 1 51 51 GLN HG2 H 1 2.548 0.001 . 2 . . . . 764 GLN HG2 . 17621 1 359 . 1 1 51 51 GLN HG3 H 1 2.436 0.001 . 2 . . . . 764 GLN HG3 . 17621 1 360 . 1 1 51 51 GLN HE21 H 1 6.964 0.001 . 1 . . . . 764 GLN HE21 . 17621 1 361 . 1 1 51 51 GLN HE22 H 1 7.782 0.001 . 1 . . . . 764 GLN HE22 . 17621 1 362 . 1 1 51 51 GLN CA C 13 58.820 0.010 . 1 . . . . 764 GLN CA . 17621 1 363 . 1 1 51 51 GLN CB C 13 29.130 0.010 . 1 . . . . 764 GLN CB . 17621 1 364 . 1 1 51 51 GLN N N 15 121.030 0.010 . 1 . . . . 764 GLN N . 17621 1 365 . 1 1 52 52 ASP H H 1 8.068 0.001 . 1 . . . . 765 ASP H . 17621 1 366 . 1 1 52 52 ASP HA H 1 4.616 0.001 . 1 . . . . 765 ASP HA . 17621 1 367 . 1 1 52 52 ASP HB2 H 1 2.657 0.001 . 1 . . . . 765 ASP HB2 . 17621 1 368 . 1 1 52 52 ASP HB3 H 1 3.051 0.001 . 1 . . . . 765 ASP HB3 . 17621 1 369 . 1 1 52 52 ASP CA C 13 52.340 0.010 . 1 . . . . 765 ASP CA . 17621 1 370 . 1 1 52 52 ASP CB C 13 39.310 0.010 . 1 . . . . 765 ASP CB . 17621 1 371 . 1 1 52 52 ASP N N 15 114.210 0.010 . 1 . . . . 765 ASP N . 17621 1 372 . 1 1 53 53 GLY H H 1 7.599 0.001 . 1 . . . . 766 GLY H . 17621 1 373 . 1 1 53 53 GLY CA C 13 47.080 0.010 . 1 . . . . 766 GLY CA . 17621 1 374 . 1 1 53 53 GLY N N 15 108.270 0.010 . 1 . . . . 766 GLY N . 17621 1 375 . 1 1 54 54 ASP H H 1 8.058 0.001 . 1 . . . . 767 ASP H . 17621 1 376 . 1 1 54 54 ASP HA H 1 4.497 0.001 . 1 . . . . 767 ASP HA . 17621 1 377 . 1 1 54 54 ASP HB2 H 1 2.333 0.001 . 1 . . . . 767 ASP HB2 . 17621 1 378 . 1 1 54 54 ASP HB3 H 1 3.012 0.001 . 1 . . . . 767 ASP HB3 . 17621 1 379 . 1 1 54 54 ASP CA C 13 53.130 0.010 . 1 . . . . 767 ASP CA . 17621 1 380 . 1 1 54 54 ASP CB C 13 40.390 0.010 . 1 . . . . 767 ASP CB . 17621 1 381 . 1 1 54 54 ASP N N 15 119.790 0.010 . 1 . . . . 767 ASP N . 17621 1 382 . 1 1 55 55 GLN H H 1 10.051 0.001 . 1 . . . . 768 GLN H . 17621 1 383 . 1 1 55 55 GLN HA H 1 3.059 0.001 . 1 . . . . 768 GLN HA . 17621 1 384 . 1 1 55 55 GLN HG2 H 1 2.220 0.001 . 2 . . . . 768 GLN HG2 . 17621 1 385 . 1 1 55 55 GLN HG3 H 1 2.085 0.001 . 2 . . . . 768 GLN HG3 . 17621 1 386 . 1 1 55 55 GLN HE21 H 1 6.668 0.001 . 1 . . . . 768 GLN HE21 . 17621 1 387 . 1 1 55 55 GLN HE22 H 1 7.472 0.001 . 1 . . . . 768 GLN HE22 . 17621 1 388 . 1 1 55 55 GLN CA C 13 56.950 0.010 . 1 . . . . 768 GLN CA . 17621 1 389 . 1 1 55 55 GLN CB C 13 25.350 0.010 . 1 . . . . 768 GLN CB . 17621 1 390 . 1 1 56 56 GLU H H 1 7.963 0.001 . 1 . . . . 769 GLU H . 17621 1 391 . 1 1 56 56 GLU HA H 1 4.763 0.001 . 1 . . . . 769 GLU HA . 17621 1 392 . 1 1 56 56 GLU HB2 H 1 1.819 0.001 . 1 . . . . 769 GLU HB2 . 17621 1 393 . 1 1 56 56 GLU HB3 H 1 1.910 0.001 . 1 . . . . 769 GLU HB3 . 17621 1 394 . 1 1 56 56 GLU CA C 13 54.860 0.010 . 1 . . . . 769 GLU CA . 17621 1 395 . 1 1 56 56 GLU CB C 13 32.800 0.010 . 1 . . . . 769 GLU CB . 17621 1 396 . 1 1 56 56 GLU N N 15 117.640 0.010 . 1 . . . . 769 GLU N . 17621 1 397 . 1 1 57 57 LEU H H 1 9.307 0.001 . 1 . . . . 770 LEU H . 17621 1 398 . 1 1 57 57 LEU HA H 1 5.361 0.001 . 1 . . . . 770 LEU HA . 17621 1 399 . 1 1 57 57 LEU HB2 H 1 1.691 0.001 . 1 . . . . 770 LEU HB2 . 17621 1 400 . 1 1 57 57 LEU HB3 H 1 1.201 0.001 . 1 . . . . 770 LEU HB3 . 17621 1 401 . 1 1 57 57 LEU HG H 1 1.582 0.001 . 1 . . . . 770 LEU HG . 17621 1 402 . 1 1 57 57 LEU CA C 13 53.290 0.010 . 1 . . . . 770 LEU CA . 17621 1 403 . 1 1 57 57 LEU CB C 13 43.790 0.010 . 1 . . . . 770 LEU CB . 17621 1 404 . 1 1 57 57 LEU CD1 C 13 22.880 0.010 . 1 . . . . 770 LEU CD1 . 17621 1 405 . 1 1 57 57 LEU CD2 C 13 23.910 0.010 . 1 . . . . 770 LEU CD2 . 17621 1 406 . 1 1 58 58 THR H H 1 8.492 0.001 . 1 . . . . 771 THR H . 17621 1 407 . 1 1 58 58 THR HA H 1 5.063 0.001 . 1 . . . . 771 THR HA . 17621 1 408 . 1 1 58 58 THR HB H 1 4.845 0.001 . 1 . . . . 771 THR HB . 17621 1 409 . 1 1 58 58 THR CA C 13 59.620 0.010 . 1 . . . . 771 THR CA . 17621 1 410 . 1 1 58 58 THR CB C 13 72.050 0.010 . 1 . . . . 771 THR CB . 17621 1 411 . 1 1 58 58 THR N N 15 113.840 0.010 . 1 . . . . 771 THR N . 17621 1 412 . 1 1 59 59 GLU H H 1 8.399 0.001 . 1 . . . . 772 GLU H . 17621 1 413 . 1 1 59 59 GLU HA H 1 4.098 0.001 . 1 . . . . 772 GLU HA . 17621 1 414 . 1 1 59 59 GLU HB2 H 1 2.168 0.001 . 2 . . . . 772 GLU HB2 . 17621 1 415 . 1 1 59 59 GLU HB3 H 1 2.118 0.001 . 2 . . . . 772 GLU HB3 . 17621 1 416 . 1 1 59 59 GLU HG2 H 1 2.426 0.001 . 2 . . . . 772 GLU HG2 . 17621 1 417 . 1 1 59 59 GLU HG3 H 1 2.336 0.001 . 2 . . . . 772 GLU HG3 . 17621 1 418 . 1 1 60 60 HIS H H 1 8.631 0.001 . 1 . . . . 773 HIS H . 17621 1 419 . 1 1 60 60 HIS HA H 1 4.492 0.001 . 1 . . . . 773 HIS HA . 17621 1 420 . 1 1 60 60 HIS HB2 H 1 3.206 0.001 . 2 . . . . 773 HIS HB2 . 17621 1 421 . 1 1 60 60 HIS HB3 H 1 3.349 0.001 . 2 . . . . 773 HIS HB3 . 17621 1 422 . 1 1 60 60 HIS HD2 H 1 7.281 0.001 . 1 . . . . 773 HIS HD2 . 17621 1 423 . 1 1 60 60 HIS HE1 H 1 8.467 0.001 . 1 . . . . 773 HIS HE1 . 17621 1 424 . 1 1 60 60 HIS CA C 13 59.510 0.010 . 1 . . . . 773 HIS CA . 17621 1 425 . 1 1 60 60 HIS CB C 13 29.650 0.010 . 1 . . . . 773 HIS CB . 17621 1 426 . 1 1 61 61 GLU H H 1 7.785 0.001 . 1 . . . . 774 GLU H . 17621 1 427 . 1 1 61 61 GLU HA H 1 4.153 0.001 . 1 . . . . 774 GLU HA . 17621 1 428 . 1 1 61 61 GLU HB2 H 1 2.499 0.001 . 2 . . . . 774 GLU HB2 . 17621 1 429 . 1 1 61 61 GLU HB3 H 1 2.431 0.001 . 2 . . . . 774 GLU HB3 . 17621 1 430 . 1 1 61 61 GLU CA C 13 58.910 0.010 . 1 . . . . 774 GLU CA . 17621 1 431 . 1 1 61 61 GLU CB C 13 29.450 0.010 . 1 . . . . 774 GLU CB . 17621 1 432 . 1 1 61 61 GLU N N 15 120.620 0.010 . 1 . . . . 774 GLU N . 17621 1 433 . 1 1 62 62 HIS H H 1 8.750 0.001 . 1 . . . . 775 HIS H . 17621 1 434 . 1 1 62 62 HIS HA H 1 4.210 0.001 . 1 . . . . 775 HIS HA . 17621 1 435 . 1 1 62 62 HIS HB2 H 1 3.177 0.001 . 1 . . . . 775 HIS HB2 . 17621 1 436 . 1 1 62 62 HIS HB3 H 1 2.808 0.001 . 1 . . . . 775 HIS HB3 . 17621 1 437 . 1 1 62 62 HIS HD2 H 1 6.801 0.001 . 1 . . . . 775 HIS HD2 . 17621 1 438 . 1 1 62 62 HIS HE1 H 1 7.760 0.001 . 1 . . . . 775 HIS HE1 . 17621 1 439 . 1 1 62 62 HIS CA C 13 58.760 0.010 . 1 . . . . 775 HIS CA . 17621 1 440 . 1 1 62 62 HIS CB C 13 31.190 0.010 . 1 . . . . 775 HIS CB . 17621 1 441 . 1 1 62 62 HIS N N 15 119.600 0.010 . 1 . . . . 775 HIS N . 17621 1 442 . 1 1 63 63 GLN H H 1 8.153 0.001 . 1 . . . . 776 GLN H . 17621 1 443 . 1 1 63 63 GLN HA H 1 3.618 0.001 . 1 . . . . 776 GLN HA . 17621 1 444 . 1 1 63 63 GLN HB2 H 1 2.099 0.001 . 1 . . . . 776 GLN HB2 . 17621 1 445 . 1 1 63 63 GLN HB3 H 1 2.226 0.001 . 1 . . . . 776 GLN HB3 . 17621 1 446 . 1 1 63 63 GLN HE21 H 1 6.863 0.001 . 1 . . . . 776 GLN HE21 . 17621 1 447 . 1 1 63 63 GLN HE22 H 1 7.785 0.001 . 1 . . . . 776 GLN HE22 . 17621 1 448 . 1 1 63 63 GLN CA C 13 58.370 0.010 . 1 . . . . 776 GLN CA . 17621 1 449 . 1 1 63 63 GLN CB C 13 27.250 0.010 . 1 . . . . 776 GLN CB . 17621 1 450 . 1 1 63 63 GLN N N 15 119.470 0.010 . 1 . . . . 776 GLN N . 17621 1 451 . 1 1 64 64 GLN H H 1 7.219 0.001 . 1 . . . . 777 GLN H . 17621 1 452 . 1 1 64 64 GLN HA H 1 3.995 0.001 . 1 . . . . 777 GLN HA . 17621 1 453 . 1 1 64 64 GLN HB2 H 1 2.359 0.001 . 2 . . . . 777 GLN HB2 . 17621 1 454 . 1 1 64 64 GLN HB3 H 1 2.290 0.001 . 2 . . . . 777 GLN HB3 . 17621 1 455 . 1 1 64 64 GLN HE21 H 1 7.035 0.001 . 1 . . . . 777 GLN HE21 . 17621 1 456 . 1 1 64 64 GLN HE22 H 1 7.763 0.001 . 1 . . . . 777 GLN HE22 . 17621 1 457 . 1 1 64 64 GLN CA C 13 57.920 0.010 . 1 . . . . 777 GLN CA . 17621 1 458 . 1 1 64 64 GLN CB C 13 28.260 0.010 . 1 . . . . 777 GLN CB . 17621 1 459 . 1 1 64 64 GLN N N 15 116.210 0.010 . 1 . . . . 777 GLN N . 17621 1 460 . 1 1 65 65 MET H H 1 7.000 0.001 . 1 . . . . 778 MET H . 17621 1 461 . 1 1 65 65 MET HA H 1 3.441 0.001 . 1 . . . . 778 MET HA . 17621 1 462 . 1 1 65 65 MET HB2 H 1 1.551 0.001 . 2 . . . . 778 MET HB2 . 17621 1 463 . 1 1 65 65 MET HB3 H 1 1.795 0.001 . 2 . . . . 778 MET HB3 . 17621 1 464 . 1 1 65 65 MET HG2 H 1 1.187 0.001 . 2 . . . . 778 MET HG2 . 17621 1 465 . 1 1 65 65 MET HG3 H 1 0.886 0.001 . 2 . . . . 778 MET HG3 . 17621 1 466 . 1 1 65 65 MET CA C 13 58.870 0.010 . 1 . . . . 778 MET CA . 17621 1 467 . 1 1 65 65 MET N N 15 119.000 0.010 . 1 . . . . 778 MET N . 17621 1 468 . 1 1 66 66 ARG H H 1 7.482 0.001 . 1 . . . . 779 ARG H . 17621 1 469 . 1 1 66 66 ARG HA H 1 3.654 0.001 . 1 . . . . 779 ARG HA . 17621 1 470 . 1 1 66 66 ARG HB2 H 1 1.776 0.001 . 2 . . . . 779 ARG HB2 . 17621 1 471 . 1 1 66 66 ARG HB3 H 1 1.676 0.001 . 2 . . . . 779 ARG HB3 . 17621 1 472 . 1 1 66 66 ARG HG2 H 1 1.319 0.001 . 2 . . . . 779 ARG HG2 . 17621 1 473 . 1 1 66 66 ARG HG3 H 1 1.244 0.001 . 2 . . . . 779 ARG HG3 . 17621 1 474 . 1 1 66 66 ARG HD2 H 1 3.092 0.001 . 2 . . . . 779 ARG HD2 . 17621 1 475 . 1 1 66 66 ARG HD3 H 1 3.038 0.001 . 2 . . . . 779 ARG HD3 . 17621 1 476 . 1 1 66 66 ARG HE H 1 7.252 0.001 . 1 . . . . 779 ARG HE . 17621 1 477 . 1 1 67 67 ASP H H 1 8.332 0.001 . 1 . . . . 780 ASP H . 17621 1 478 . 1 1 67 67 ASP HA H 1 4.320 0.001 . 1 . . . . 780 ASP HA . 17621 1 479 . 1 1 67 67 ASP HB2 H 1 2.653 0.001 . 2 . . . . 780 ASP HB2 . 17621 1 480 . 1 1 67 67 ASP HB3 H 1 2.731 0.001 . 2 . . . . 780 ASP HB3 . 17621 1 481 . 1 1 67 67 ASP CA C 13 57.170 0.010 . 1 . . . . 780 ASP CA . 17621 1 482 . 1 1 67 67 ASP CB C 13 40.000 0.010 . 1 . . . . 780 ASP CB . 17621 1 483 . 1 1 68 68 ASP H H 1 8.328 0.001 . 1 . . . . 781 ASP H . 17621 1 484 . 1 1 68 68 ASP HA H 1 4.428 0.001 . 1 . . . . 781 ASP HA . 17621 1 485 . 1 1 68 68 ASP HB2 H 1 2.665 0.001 . 2 . . . . 781 ASP HB2 . 17621 1 486 . 1 1 68 68 ASP HB3 H 1 2.908 0.001 . 2 . . . . 781 ASP HB3 . 17621 1 487 . 1 1 68 68 ASP CA C 13 56.750 0.010 . 1 . . . . 781 ASP CA . 17621 1 488 . 1 1 68 68 ASP CB C 13 39.650 0.010 . 1 . . . . 781 ASP CB . 17621 1 489 . 1 1 68 68 ASP N N 15 121.270 0.010 . 1 . . . . 781 ASP N . 17621 1 490 . 1 1 69 69 LEU H H 1 7.952 0.001 . 1 . . . . 782 LEU H . 17621 1 491 . 1 1 69 69 LEU HA H 1 4.060 0.001 . 1 . . . . 782 LEU HA . 17621 1 492 . 1 1 69 69 LEU HB2 H 1 1.862 0.001 . 1 . . . . 782 LEU HB2 . 17621 1 493 . 1 1 69 69 LEU HB3 H 1 1.645 0.001 . 1 . . . . 782 LEU HB3 . 17621 1 494 . 1 1 69 69 LEU HG H 1 1.654 0.001 . 1 . . . . 782 LEU HG . 17621 1 495 . 1 1 69 69 LEU CA C 13 57.450 0.010 . 1 . . . . 782 LEU CA . 17621 1 496 . 1 1 69 69 LEU CB C 13 41.730 0.010 . 1 . . . . 782 LEU CB . 17621 1 497 . 1 1 69 69 LEU CD1 C 13 22.760 0.010 . 1 . . . . 782 LEU CD1 . 17621 1 498 . 1 1 69 69 LEU CD2 C 13 23.290 0.010 . 1 . . . . 782 LEU CD2 . 17621 1 499 . 1 1 69 69 LEU N N 15 121.120 0.010 . 1 . . . . 782 LEU N . 17621 1 500 . 1 1 70 70 GLU H H 1 7.808 0.001 . 1 . . . . 783 GLU H . 17621 1 501 . 1 1 70 70 GLU HA H 1 4.107 0.001 . 1 . . . . 783 GLU HA . 17621 1 502 . 1 1 70 70 GLU HB2 H 1 2.147 0.001 . 2 . . . . 783 GLU HB2 . 17621 1 503 . 1 1 70 70 GLU HB3 H 1 2.105 0.001 . 2 . . . . 783 GLU HB3 . 17621 1 504 . 1 1 70 70 GLU HG2 H 1 2.409 0.001 . 2 . . . . 783 GLU HG2 . 17621 1 505 . 1 1 70 70 GLU HG3 H 1 2.326 0.001 . 2 . . . . 783 GLU HG3 . 17621 1 506 . 1 1 70 70 GLU CA C 13 58.000 0.010 . 1 . . . . 783 GLU CA . 17621 1 507 . 1 1 70 70 GLU CB C 13 29.220 0.010 . 1 . . . . 783 GLU CB . 17621 1 508 . 1 1 70 70 GLU N N 15 118.160 0.010 . 1 . . . . 783 GLU N . 17621 1 509 . 1 1 71 71 LYS H H 1 7.830 0.001 . 1 . . . . 784 LYS H . 17621 1 510 . 1 1 71 71 LYS HA H 1 4.199 0.001 . 1 . . . . 784 LYS HA . 17621 1 511 . 1 1 71 71 LYS HB2 H 1 1.951 0.001 . 2 . . . . 784 LYS HB2 . 17621 1 512 . 1 1 71 71 LYS HB3 H 1 1.919 0.001 . 2 . . . . 784 LYS HB3 . 17621 1 513 . 1 1 71 71 LYS HG2 H 1 1.577 0.001 . 2 . . . . 784 LYS HG2 . 17621 1 514 . 1 1 71 71 LYS HG3 H 1 1.511 0.001 . 2 . . . . 784 LYS HG3 . 17621 1 515 . 1 1 71 71 LYS CA C 13 57.610 0.010 . 1 . . . . 784 LYS CA . 17621 1 516 . 1 1 71 71 LYS CB C 13 32.550 0.010 . 1 . . . . 784 LYS CB . 17621 1 517 . 1 1 71 71 LYS N N 15 119.000 0.010 . 1 . . . . 784 LYS N . 17621 1 518 . 1 1 72 72 GLU H H 1 7.951 0.001 . 1 . . . . 785 GLU H . 17621 1 519 . 1 1 72 72 GLU HA H 1 4.235 0.001 . 1 . . . . 785 GLU HA . 17621 1 520 . 1 1 72 72 GLU HB2 H 1 2.140 0.001 . 2 . . . . 785 GLU HB2 . 17621 1 521 . 1 1 72 72 GLU HB3 H 1 2.088 0.001 . 2 . . . . 785 GLU HB3 . 17621 1 522 . 1 1 72 72 GLU HG2 H 1 2.480 0.001 . 2 . . . . 785 GLU HG2 . 17621 1 523 . 1 1 72 72 GLU HG3 H 1 2.319 0.001 . 2 . . . . 785 GLU HG3 . 17621 1 524 . 1 1 72 72 GLU CA C 13 57.230 0.010 . 1 . . . . 785 GLU CA . 17621 1 525 . 1 1 72 72 GLU CB C 13 29.650 0.010 . 1 . . . . 785 GLU CB . 17621 1 526 . 1 1 72 72 GLU N N 15 119.210 0.010 . 1 . . . . 785 GLU N . 17621 1 527 . 1 1 73 73 ARG H H 1 7.964 0.001 . 1 . . . . 786 ARG H . 17621 1 528 . 1 1 73 73 ARG HA H 1 4.259 0.001 . 1 . . . . 786 ARG HA . 17621 1 529 . 1 1 73 73 ARG HB2 H 1 1.950 0.001 . 2 . . . . 786 ARG HB2 . 17621 1 530 . 1 1 73 73 ARG HB3 H 1 1.860 0.001 . 2 . . . . 786 ARG HB3 . 17621 1 531 . 1 1 73 73 ARG HG2 H 1 1.733 0.001 . 2 . . . . 786 ARG HG2 . 17621 1 532 . 1 1 73 73 ARG HG3 H 1 1.665 0.001 . 2 . . . . 786 ARG HG3 . 17621 1 533 . 1 1 73 73 ARG HD2 H 1 3.248 0.001 . 2 . . . . 786 ARG HD2 . 17621 1 534 . 1 1 73 73 ARG HD3 H 1 3.207 0.001 . 2 . . . . 786 ARG HD3 . 17621 1 535 . 1 1 73 73 ARG HE H 1 7.539 0.001 . 1 . . . . 786 ARG HE . 17621 1 536 . 1 1 73 73 ARG CA C 13 56.880 0.010 . 1 . . . . 786 ARG CA . 17621 1 537 . 1 1 73 73 ARG CB C 13 30.630 0.010 . 1 . . . . 786 ARG CB . 17621 1 538 . 1 1 73 73 ARG N N 15 120.090 0.010 . 1 . . . . 786 ARG N . 17621 1 539 . 1 1 74 74 GLU H H 1 8.339 0.001 . 1 . . . . 787 GLU H . 17621 1 540 . 1 1 74 74 GLU HA H 1 4.277 0.001 . 1 . . . . 787 GLU HA . 17621 1 541 . 1 1 74 74 GLU HB2 H 1 1.995 0.001 . 2 . . . . 787 GLU HB2 . 17621 1 542 . 1 1 74 74 GLU HB3 H 1 2.101 0.001 . 2 . . . . 787 GLU HB3 . 17621 1 543 . 1 1 74 74 GLU HG2 H 1 2.281 0.001 . 2 . . . . 787 GLU HG2 . 17621 1 544 . 1 1 74 74 GLU HG3 H 1 2.360 0.001 . 2 . . . . 787 GLU HG3 . 17621 1 545 . 1 1 74 74 GLU CA C 13 56.820 0.010 . 1 . . . . 787 GLU CA . 17621 1 546 . 1 1 74 74 GLU CB C 13 30.200 0.010 . 1 . . . . 787 GLU CB . 17621 1 547 . 1 1 74 74 GLU N N 15 121.220 0.010 . 1 . . . . 787 GLU N . 17621 1 548 . 1 1 75 75 ASP H H 1 8.339 0.001 . 1 . . . . 788 ASP H . 17621 1 549 . 1 1 75 75 ASP HA H 1 4.609 0.001 . 1 . . . . 788 ASP HA . 17621 1 550 . 1 1 75 75 ASP HB2 H 1 2.662 0.001 . 2 . . . . 788 ASP HB2 . 17621 1 551 . 1 1 75 75 ASP HB3 H 1 2.744 0.001 . 2 . . . . 788 ASP HB3 . 17621 1 552 . 1 1 75 75 ASP CA C 13 54.280 0.010 . 1 . . . . 788 ASP CA . 17621 1 553 . 1 1 75 75 ASP CB C 13 40.680 0.010 . 1 . . . . 788 ASP CB . 17621 1 554 . 1 1 75 75 ASP N N 15 120.350 0.010 . 1 . . . . 788 ASP N . 17621 1 555 . 1 1 76 76 LEU H H 1 8.017 0.001 . 1 . . . . 789 LEU H . 17621 1 556 . 1 1 76 76 LEU HA H 1 4.324 0.001 . 1 . . . . 789 LEU HA . 17621 1 557 . 1 1 76 76 LEU HB2 H 1 1.577 0.001 . 2 . . . . 789 LEU HB2 . 17621 1 558 . 1 1 76 76 LEU HB3 H 1 1.667 0.001 . 2 . . . . 789 LEU HB3 . 17621 1 559 . 1 1 76 76 LEU HG H 1 1.642 0.001 . 1 . . . . 789 LEU HG . 17621 1 560 . 1 1 76 76 LEU CA C 13 54.990 0.010 . 1 . . . . 789 LEU CA . 17621 1 561 . 1 1 76 76 LEU CB C 13 42.240 0.010 . 1 . . . . 789 LEU CB . 17621 1 562 . 1 1 76 76 LEU N N 15 121.660 0.010 . 1 . . . . 789 LEU N . 17621 1 563 . 1 1 77 77 ASP H H 1 8.298 0.001 . 1 . . . . 790 ASP H . 17621 1 564 . 1 1 77 77 ASP HA H 1 4.639 0.001 . 1 . . . . 790 ASP HA . 17621 1 565 . 1 1 77 77 ASP HB2 H 1 2.797 0.001 . 2 . . . . 790 ASP HB2 . 17621 1 566 . 1 1 77 77 ASP HB3 H 1 2.602 0.001 . 2 . . . . 790 ASP HB3 . 17621 1 567 . 1 1 77 77 ASP CA C 13 54.080 0.010 . 1 . . . . 790 ASP CA . 17621 1 568 . 1 1 77 77 ASP CB C 13 40.710 0.010 . 1 . . . . 790 ASP CB . 17621 1 569 . 1 1 77 77 ASP N N 15 120.600 0.010 . 1 . . . . 790 ASP N . 17621 1 570 . 1 1 78 78 LEU H H 1 8.105 0.001 . 1 . . . . 791 LEU H . 17621 1 571 . 1 1 78 78 LEU HA H 1 4.379 0.001 . 1 . . . . 791 LEU HA . 17621 1 572 . 1 1 78 78 LEU HG H 1 1.629 0.001 . 1 . . . . 791 LEU HG . 17621 1 573 . 1 1 78 78 LEU CA C 13 54.690 0.010 . 1 . . . . 791 LEU CA . 17621 1 574 . 1 1 78 78 LEU CB C 13 42.740 0.010 . 1 . . . . 791 LEU CB . 17621 1 575 . 1 1 78 78 LEU N N 15 122.400 0.010 . 1 . . . . 791 LEU N . 17621 1 576 . 1 1 79 79 ASP H H 1 7.945 0.001 . 1 . . . . 792 ASP H . 17621 1 577 . 1 1 79 79 ASP HA H 1 4.386 0.001 . 1 . . . . 792 ASP HA . 17621 1 578 . 1 1 79 79 ASP HB2 H 1 2.670 0.001 . 2 . . . . 792 ASP HB2 . 17621 1 579 . 1 1 79 79 ASP HB3 H 1 2.602 0.001 . 2 . . . . 792 ASP HB3 . 17621 1 580 . 1 1 79 79 ASP CA C 13 55.500 0.010 . 1 . . . . 792 ASP CA . 17621 1 581 . 1 1 79 79 ASP N N 15 125.990 0.010 . 1 . . . . 792 ASP N . 17621 1 stop_ save_