################################### # 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 15271 _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' . . . 15271 1 2 '3D HNCO' . . . 15271 1 3 '3D HNCA' . . . 15271 1 4 '3D HNCACB' . . . 15271 1 5 '3D HN(CO)CA' . . . 15271 1 6 '3D HN(COCA)CB' . . . 15271 1 10 '3D HCCH-TOCSY' . . . 15271 1 11 '3D 1H-15N TOCSY' . . . 15271 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 3 3 GLU H H 1 8.600 0.000 . 1 . . . . 3 GLU H . 15271 1 2 . 1 1 3 3 GLU HA H 1 4.440 0.000 . 1 . . . . 3 GLU HA . 15271 1 3 . 1 1 3 3 GLU HB2 H 1 2.250 0.000 . 2 . . . . 3 GLU HB2 . 15271 1 4 . 1 1 3 3 GLU HB3 H 1 2.210 0.000 . 2 . . . . 3 GLU HB3 . 15271 1 5 . 1 1 3 3 GLU HG2 H 1 2.020 0.000 . 2 . . . . 3 GLU QG . 15271 1 6 . 1 1 3 3 GLU HG3 H 1 2.020 0.000 . 2 . . . . 3 GLU QG . 15271 1 7 . 1 1 3 3 GLU C C 13 175.200 0.000 . 1 . . . . 3 GLU C . 15271 1 8 . 1 1 3 3 GLU CA C 13 56.430 0.000 . 1 . . . . 3 GLU CA . 15271 1 9 . 1 1 3 3 GLU CB C 13 29.570 0.000 . 1 . . . . 3 GLU CB . 15271 1 10 . 1 1 3 3 GLU CG C 13 36.880 0.000 . 1 . . . . 3 GLU CG . 15271 1 11 . 1 1 3 3 GLU N N 15 121.820 0.000 . 1 . . . . 3 GLU N . 15271 1 12 . 1 1 4 4 SER H H 1 8.010 0.000 . 1 . . . . 4 SER H . 15271 1 13 . 1 1 4 4 SER HA H 1 5.020 0.000 . 1 . . . . 4 SER HA . 15271 1 14 . 1 1 4 4 SER HB2 H 1 3.460 0.000 . 2 . . . . 4 SER HB2 . 15271 1 15 . 1 1 4 4 SER HB3 H 1 3.830 0.000 . 2 . . . . 4 SER HB3 . 15271 1 16 . 1 1 4 4 SER C C 13 176.620 0.000 . 1 . . . . 4 SER C . 15271 1 17 . 1 1 4 4 SER CA C 13 55.340 0.000 . 1 . . . . 4 SER CA . 15271 1 18 . 1 1 4 4 SER CB C 13 65.260 0.000 . 1 . . . . 4 SER CB . 15271 1 19 . 1 1 4 4 SER N N 15 115.340 0.000 . 1 . . . . 4 SER N . 15271 1 20 . 1 1 5 5 CYS H H 1 11.330 0.000 . 1 . . . . 5 CYS H . 15271 1 21 . 1 1 5 5 CYS HA H 1 4.850 0.000 . 1 . . . . 5 CYS HA . 15271 1 22 . 1 1 5 5 CYS HB2 H 1 2.290 0.000 . 2 . . . . 5 CYS HB2 . 15271 1 23 . 1 1 5 5 CYS HB3 H 1 3.580 0.000 . 2 . . . . 5 CYS HB3 . 15271 1 24 . 1 1 5 5 CYS CA C 13 55.600 0.000 . 1 . . . . 5 CYS CA . 15271 1 25 . 1 1 5 5 CYS CB C 13 40.310 0.000 . 1 . . . . 5 CYS CB . 15271 1 26 . 1 1 5 5 CYS N N 15 127.810 0.000 . 1 . . . . 5 CYS N . 15271 1 27 . 1 1 6 6 LYS H H 1 8.840 0.000 . 1 . . . . 6 LYS H . 15271 1 28 . 1 1 6 6 LYS HA H 1 3.840 0.000 . 1 . . . . 6 LYS HA . 15271 1 29 . 1 1 6 6 LYS HB2 H 1 1.620 0.000 . 2 . . . . 6 LYS HB2 . 15271 1 30 . 1 1 6 6 LYS HB3 H 1 1.540 0.000 . 2 . . . . 6 LYS HB3 . 15271 1 31 . 1 1 6 6 LYS HD2 H 1 1.650 0.000 . 2 . . . . 6 LYS QD . 15271 1 32 . 1 1 6 6 LYS HD3 H 1 1.650 0.000 . 2 . . . . 6 LYS QD . 15271 1 33 . 1 1 6 6 LYS HE2 H 1 2.970 0.000 . 2 . . . . 6 LYS QE . 15271 1 34 . 1 1 6 6 LYS HE3 H 1 2.970 0.000 . 2 . . . . 6 LYS QE . 15271 1 35 . 1 1 6 6 LYS HG2 H 1 1.280 0.000 . 2 . . . . 6 LYS HG2 . 15271 1 36 . 1 1 6 6 LYS HG3 H 1 1.350 0.000 . 2 . . . . 6 LYS HG3 . 15271 1 37 . 1 1 6 6 LYS C C 13 178.570 0.000 . 1 . . . . 6 LYS C . 15271 1 38 . 1 1 6 6 LYS CA C 13 59.190 0.000 . 1 . . . . 6 LYS CA . 15271 1 39 . 1 1 6 6 LYS CB C 13 31.790 0.000 . 1 . . . . 6 LYS CB . 15271 1 40 . 1 1 6 6 LYS CD C 13 28.890 0.000 . 1 . . . . 6 LYS CD . 15271 1 41 . 1 1 6 6 LYS CE C 13 41.800 0.000 . 1 . . . . 6 LYS CE . 15271 1 42 . 1 1 6 6 LYS CG C 13 24.370 0.000 . 1 . . . . 6 LYS CG . 15271 1 43 . 1 1 6 6 LYS N N 15 124.300 0.000 . 1 . . . . 6 LYS N . 15271 1 44 . 1 1 7 7 GLY H H 1 9.190 0.000 . 1 . . . . 7 GLY H . 15271 1 45 . 1 1 7 7 GLY HA2 H 1 3.870 0.000 . 2 . . . . 7 GLY HA2 . 15271 1 46 . 1 1 7 7 GLY HA3 H 1 4.130 0.000 . 2 . . . . 7 GLY HA3 . 15271 1 47 . 1 1 7 7 GLY C C 13 175.640 0.000 . 1 . . . . 7 GLY C . 15271 1 48 . 1 1 7 7 GLY CA C 13 46.310 0.000 . 1 . . . . 7 GLY CA . 15271 1 49 . 1 1 7 7 GLY N N 15 116.180 0.000 . 1 . . . . 7 GLY N . 15271 1 50 . 1 1 8 8 ARG H H 1 8.410 0.000 . 1 . . . . 8 ARG H . 15271 1 51 . 1 1 8 8 ARG HA H 1 4.620 0.000 . 1 . . . . 8 ARG HA . 15271 1 52 . 1 1 8 8 ARG HB2 H 1 2.280 0.000 . 2 . . . . 8 ARG QB . 15271 1 53 . 1 1 8 8 ARG HB3 H 1 2.280 0.000 . 2 . . . . 8 ARG QB . 15271 1 54 . 1 1 8 8 ARG HD2 H 1 3.400 0.000 . 2 . . . . 8 ARG HD2 . 15271 1 55 . 1 1 8 8 ARG HD3 H 1 3.570 0.000 . 2 . . . . 8 ARG HD3 . 15271 1 56 . 1 1 8 8 ARG HE H 1 7.987 0.000 . 1 . . . . 8 ARG HE . 15271 1 57 . 1 1 8 8 ARG HG2 H 1 1.580 0.000 . 2 . . . . 8 ARG HG2 . 15271 1 58 . 1 1 8 8 ARG HG3 H 1 1.620 0.000 . 2 . . . . 8 ARG HG3 . 15271 1 59 . 1 1 8 8 ARG C C 13 177.010 0.000 . 1 . . . . 8 ARG C . 15271 1 60 . 1 1 8 8 ARG CA C 13 56.470 0.000 . 1 . . . . 8 ARG CA . 15271 1 61 . 1 1 8 8 ARG CB C 13 32.710 0.000 . 1 . . . . 8 ARG CB . 15271 1 62 . 1 1 8 8 ARG CD C 13 44.080 0.000 . 1 . . . . 8 ARG CD . 15271 1 63 . 1 1 8 8 ARG CG C 13 26.250 0.000 . 1 . . . . 8 ARG CG . 15271 1 64 . 1 1 8 8 ARG N N 15 118.720 0.000 . 1 . . . . 8 ARG N . 15271 1 65 . 1 1 9 9 CYS H H 1 8.570 0.000 . 1 . . . . 9 CYS H . 15271 1 66 . 1 1 9 9 CYS HA H 1 4.620 0.000 . 1 . . . . 9 CYS HA . 15271 1 67 . 1 1 9 9 CYS HB2 H 1 3.330 0.000 . 2 . . . . 9 CYS HB2 . 15271 1 68 . 1 1 9 9 CYS HB3 H 1 2.990 0.000 . 2 . . . . 9 CYS HB3 . 15271 1 69 . 1 1 9 9 CYS C C 13 176.250 0.000 . 1 . . . . 9 CYS C . 15271 1 70 . 1 1 9 9 CYS CA C 13 57.510 0.000 . 1 . . . . 9 CYS CA . 15271 1 71 . 1 1 9 9 CYS CB C 13 37.800 0.000 . 1 . . . . 9 CYS CB . 15271 1 72 . 1 1 9 9 CYS N N 15 117.380 0.000 . 1 . . . . 9 CYS N . 15271 1 73 . 1 1 10 10 THR H H 1 8.320 0.000 . 1 . . . . 10 THR H . 15271 1 74 . 1 1 10 10 THR HA H 1 4.600 0.000 . 1 . . . . 10 THR HA . 15271 1 75 . 1 1 10 10 THR HG21 H 1 1.140 0.000 . 1 . . . . 10 THR QG2 . 15271 1 76 . 1 1 10 10 THR HG22 H 1 1.140 0.000 . 1 . . . . 10 THR QG2 . 15271 1 77 . 1 1 10 10 THR HG23 H 1 1.140 0.000 . 1 . . . . 10 THR QG2 . 15271 1 78 . 1 1 10 10 THR C C 13 174.760 0.000 . 1 . . . . 10 THR C . 15271 1 79 . 1 1 10 10 THR CA C 13 61.420 0.000 . 1 . . . . 10 THR CA . 15271 1 80 . 1 1 10 10 THR CB C 13 68.780 0.000 . 1 . . . . 10 THR CB . 15271 1 81 . 1 1 10 10 THR N N 15 108.210 0.000 . 1 . . . . 10 THR N . 15271 1 82 . 1 1 11 11 GLU H H 1 7.510 0.000 . 1 . . . . 11 GLU H . 15271 1 83 . 1 1 11 11 GLU HA H 1 4.220 0.000 . 1 . . . . 11 GLU HA . 15271 1 84 . 1 1 11 11 GLU HB2 H 1 2.130 0.000 . 2 . . . . 11 GLU QB . 15271 1 85 . 1 1 11 11 GLU HB3 H 1 2.130 0.000 . 2 . . . . 11 GLU QB . 15271 1 86 . 1 1 11 11 GLU HG2 H 1 2.400 0.000 . 2 . . . . 11 GLU HG2 . 15271 1 87 . 1 1 11 11 GLU HG3 H 1 2.540 0.000 . 2 . . . . 11 GLU HG3 . 15271 1 88 . 1 1 11 11 GLU C C 13 177.210 0.000 . 1 . . . . 11 GLU C . 15271 1 89 . 1 1 11 11 GLU CA C 13 57.610 0.000 . 1 . . . . 11 GLU CA . 15271 1 90 . 1 1 11 11 GLU CB C 13 30.730 0.000 . 1 . . . . 11 GLU CB . 15271 1 91 . 1 1 11 11 GLU CG C 13 36.120 0.000 . 1 . . . . 11 GLU CG . 15271 1 92 . 1 1 11 11 GLU N N 15 122.680 0.000 . 1 . . . . 11 GLU N . 15271 1 93 . 1 1 12 12 GLY H H 1 8.550 0.000 . 1 . . . . 12 GLY H . 15271 1 94 . 1 1 12 12 GLY HA2 H 1 3.960 0.000 . 2 . . . . 12 GLY HA2 . 15271 1 95 . 1 1 12 12 GLY HA3 H 1 4.060 0.000 . 2 . . . . 12 GLY HA3 . 15271 1 96 . 1 1 12 12 GLY C C 13 172.980 0.000 . 1 . . . . 12 GLY C . 15271 1 97 . 1 1 12 12 GLY CA C 13 44.270 0.000 . 1 . . . . 12 GLY CA . 15271 1 98 . 1 1 12 12 GLY N N 15 109.410 0.000 . 1 . . . . 12 GLY N . 15271 1 99 . 1 1 13 13 PHE H H 1 8.560 0.000 . 1 . . . . 13 PHE H . 15271 1 100 . 1 1 13 13 PHE HA H 1 4.160 0.000 . 1 . . . . 13 PHE HA . 15271 1 101 . 1 1 13 13 PHE HB2 H 1 2.980 0.000 . 2 . . . . 13 PHE HB2 . 15271 1 102 . 1 1 13 13 PHE HB3 H 1 2.730 0.000 . 2 . . . . 13 PHE HB3 . 15271 1 103 . 1 1 13 13 PHE HD1 H 1 7.000 0.000 . 3 . . . . 13 PHE QD . 15271 1 104 . 1 1 13 13 PHE HD2 H 1 7.000 0.000 . 3 . . . . 13 PHE QD . 15271 1 105 . 1 1 13 13 PHE HE1 H 1 7.060 0.000 . 3 . . . . 13 PHE QE . 15271 1 106 . 1 1 13 13 PHE HE2 H 1 7.060 0.000 . 3 . . . . 13 PHE QE . 15271 1 107 . 1 1 13 13 PHE C C 13 175.250 0.000 . 1 . . . . 13 PHE C . 15271 1 108 . 1 1 13 13 PHE CA C 13 59.080 0.000 . 1 . . . . 13 PHE CA . 15271 1 109 . 1 1 13 13 PHE CB C 13 39.550 0.000 . 1 . . . . 13 PHE CB . 15271 1 110 . 1 1 13 13 PHE CD1 C 13 131.390 0.000 . 3 . . . . 13 PHE CD1 . 15271 1 111 . 1 1 13 13 PHE CE1 C 13 129.620 0.000 . 3 . . . . 13 PHE CE1 . 15271 1 112 . 1 1 13 13 PHE N N 15 121.670 0.000 . 1 . . . . 13 PHE N . 15271 1 113 . 1 1 14 14 ASN H H 1 8.240 0.000 . 1 . . . . 14 ASN H . 15271 1 114 . 1 1 14 14 ASN HA H 1 4.630 0.000 . 1 . . . . 14 ASN HA . 15271 1 115 . 1 1 14 14 ASN HB2 H 1 2.530 0.000 . 2 . . . . 14 ASN HB2 . 15271 1 116 . 1 1 14 14 ASN HB3 H 1 2.680 0.000 . 2 . . . . 14 ASN HB3 . 15271 1 117 . 1 1 14 14 ASN HD21 H 1 6.660 0.000 . 2 . . . . 14 ASN QD2 . 15271 1 118 . 1 1 14 14 ASN HD22 H 1 6.660 0.000 . 2 . . . . 14 ASN QD2 . 15271 1 119 . 1 1 14 14 ASN C C 13 175.350 0.000 . 1 . . . . 14 ASN C . 15271 1 120 . 1 1 14 14 ASN CA C 13 51.840 0.000 . 1 . . . . 14 ASN CA . 15271 1 121 . 1 1 14 14 ASN CB C 13 40.040 0.000 . 1 . . . . 14 ASN CB . 15271 1 122 . 1 1 14 14 ASN N N 15 126.670 0.000 . 1 . . . . 14 ASN N . 15271 1 123 . 1 1 15 15 VAL H H 1 8.370 0.000 . 1 . . . . 15 VAL H . 15271 1 124 . 1 1 15 15 VAL HA H 1 3.660 0.000 . 1 . . . . 15 VAL HA . 15271 1 125 . 1 1 15 15 VAL HB H 1 2.150 0.000 . 1 . . . . 15 VAL HB . 15271 1 126 . 1 1 15 15 VAL HG11 H 1 0.930 0.000 . 2 . . . . 15 VAL QG1 . 15271 1 127 . 1 1 15 15 VAL HG12 H 1 0.930 0.000 . 2 . . . . 15 VAL QG1 . 15271 1 128 . 1 1 15 15 VAL HG13 H 1 0.930 0.000 . 2 . . . . 15 VAL QG1 . 15271 1 129 . 1 1 15 15 VAL HG21 H 1 1.020 0.000 . 2 . . . . 15 VAL QG2 . 15271 1 130 . 1 1 15 15 VAL HG22 H 1 1.020 0.000 . 2 . . . . 15 VAL QG2 . 15271 1 131 . 1 1 15 15 VAL HG23 H 1 1.020 0.000 . 2 . . . . 15 VAL QG2 . 15271 1 132 . 1 1 15 15 VAL C C 13 176.050 0.000 . 1 . . . . 15 VAL C . 15271 1 133 . 1 1 15 15 VAL CA C 13 63.680 0.000 . 1 . . . . 15 VAL CA . 15271 1 134 . 1 1 15 15 VAL CB C 13 31.930 0.000 . 1 . . . . 15 VAL CB . 15271 1 135 . 1 1 15 15 VAL CG1 C 13 19.990 0.000 . 2 . . . . 15 VAL CG1 . 15271 1 136 . 1 1 15 15 VAL CG2 C 13 20.590 0.000 . 2 . . . . 15 VAL CG2 . 15271 1 137 . 1 1 15 15 VAL N N 15 123.430 0.000 . 1 . . . . 15 VAL N . 15271 1 138 . 1 1 16 16 ASP H H 1 8.010 0.000 . 1 . . . . 16 ASP H . 15271 1 139 . 1 1 16 16 ASP HA H 1 4.600 0.000 . 1 . . . . 16 ASP HA . 15271 1 140 . 1 1 16 16 ASP HB2 H 1 2.510 0.000 . 2 . . . . 16 ASP HB2 . 15271 1 141 . 1 1 16 16 ASP HB3 H 1 2.720 0.000 . 2 . . . . 16 ASP HB3 . 15271 1 142 . 1 1 16 16 ASP C C 13 176.080 0.000 . 1 . . . . 16 ASP C . 15271 1 143 . 1 1 16 16 ASP CA C 13 54.990 0.000 . 1 . . . . 16 ASP CA . 15271 1 144 . 1 1 16 16 ASP CB C 13 41.510 0.000 . 1 . . . . 16 ASP CB . 15271 1 145 . 1 1 16 16 ASP N N 15 118.860 0.000 . 1 . . . . 16 ASP N . 15271 1 146 . 1 1 17 17 LYS H H 1 7.370 0.000 . 1 . . . . 17 LYS H . 15271 1 147 . 1 1 17 17 LYS HA H 1 4.580 0.000 . 1 . . . . 17 LYS HA . 15271 1 148 . 1 1 17 17 LYS HB2 H 1 1.730 0.000 . 2 . . . . 17 LYS HB2 . 15271 1 149 . 1 1 17 17 LYS HB3 H 1 1.970 0.000 . 2 . . . . 17 LYS HB3 . 15271 1 150 . 1 1 17 17 LYS HD2 H 1 1.680 0.000 . 2 . . . . 17 LYS QD . 15271 1 151 . 1 1 17 17 LYS HD3 H 1 1.680 0.000 . 2 . . . . 17 LYS QD . 15271 1 152 . 1 1 17 17 LYS HE2 H 1 2.950 0.000 . 2 . . . . 17 LYS HE2 . 15271 1 153 . 1 1 17 17 LYS HE3 H 1 2.850 0.000 . 2 . . . . 17 LYS HE3 . 15271 1 154 . 1 1 17 17 LYS HG2 H 1 1.360 0.000 . 2 . . . . 17 LYS HG2 . 15271 1 155 . 1 1 17 17 LYS HG3 H 1 1.180 0.000 . 2 . . . . 17 LYS HG3 . 15271 1 156 . 1 1 17 17 LYS CA C 13 54.100 0.000 . 1 . . . . 17 LYS CA . 15271 1 157 . 1 1 17 17 LYS CB C 13 34.480 0.000 . 1 . . . . 17 LYS CB . 15271 1 158 . 1 1 17 17 LYS CD C 13 28.680 0.000 . 1 . . . . 17 LYS CD . 15271 1 159 . 1 1 17 17 LYS CE C 13 42.510 0.000 . 1 . . . . 17 LYS CE . 15271 1 160 . 1 1 17 17 LYS CG C 13 25.010 0.000 . 1 . . . . 17 LYS CG . 15271 1 161 . 1 1 17 17 LYS N N 15 118.710 0.000 . 1 . . . . 17 LYS N . 15271 1 162 . 1 1 18 18 LYS H H 1 8.890 0.000 . 1 . . . . 18 LYS H . 15271 1 163 . 1 1 18 18 LYS HA H 1 4.110 0.000 . 1 . . . . 18 LYS HA . 15271 1 164 . 1 1 18 18 LYS HB2 H 1 1.860 0.000 . 2 . . . . 18 LYS HB2 . 15271 1 165 . 1 1 18 18 LYS HB3 H 1 1.780 0.000 . 2 . . . . 18 LYS HB3 . 15271 1 166 . 1 1 18 18 LYS HD2 H 1 1.630 0.000 . 2 . . . . 18 LYS QD . 15271 1 167 . 1 1 18 18 LYS HD3 H 1 1.630 0.000 . 2 . . . . 18 LYS QD . 15271 1 168 . 1 1 18 18 LYS HE2 H 1 2.970 0.000 . 2 . . . . 18 LYS QE . 15271 1 169 . 1 1 18 18 LYS HE3 H 1 2.970 0.000 . 2 . . . . 18 LYS QE . 15271 1 170 . 1 1 18 18 LYS HG2 H 1 1.430 0.000 . 2 . . . . 18 LYS HG2 . 15271 1 171 . 1 1 18 18 LYS HG3 H 1 1.480 0.000 . 2 . . . . 18 LYS HG3 . 15271 1 172 . 1 1 18 18 LYS CA C 13 57.460 0.000 . 1 . . . . 18 LYS CA . 15271 1 173 . 1 1 18 18 LYS CB C 13 32.830 0.000 . 1 . . . . 18 LYS CB . 15271 1 174 . 1 1 18 18 LYS CD C 13 28.890 0.000 . 1 . . . . 18 LYS CD . 15271 1 175 . 1 1 18 18 LYS CE C 13 41.960 0.000 . 1 . . . . 18 LYS CE . 15271 1 176 . 1 1 18 18 LYS CG C 13 24.980 0.000 . 1 . . . . 18 LYS CG . 15271 1 177 . 1 1 18 18 LYS N N 15 119.200 0.000 . 1 . . . . 18 LYS N . 15271 1 178 . 1 1 19 19 CYS H H 1 7.880 0.000 . 1 . . . . 19 CYS H . 15271 1 179 . 1 1 19 19 CYS HA H 1 4.970 0.000 . 1 . . . . 19 CYS HA . 15271 1 180 . 1 1 19 19 CYS HB2 H 1 3.200 0.000 . 2 . . . . 19 CYS HB2 . 15271 1 181 . 1 1 19 19 CYS HB3 H 1 3.260 0.000 . 2 . . . . 19 CYS HB3 . 15271 1 182 . 1 1 19 19 CYS C C 13 172.580 0.000 . 1 . . . . 19 CYS C . 15271 1 183 . 1 1 19 19 CYS CA C 13 53.780 0.000 . 1 . . . . 19 CYS CA . 15271 1 184 . 1 1 19 19 CYS CB C 13 42.980 0.000 . 1 . . . . 19 CYS CB . 15271 1 185 . 1 1 19 19 CYS N N 15 112.370 0.000 . 1 . . . . 19 CYS N . 15271 1 186 . 1 1 20 20 GLN H H 1 8.900 0.000 . 1 . . . . 20 GLN H . 15271 1 187 . 1 1 20 20 GLN HA H 1 4.550 0.000 . 1 . . . . 20 GLN HA . 15271 1 188 . 1 1 20 20 GLN HB2 H 1 1.690 0.000 . 2 . . . . 20 GLN QB . 15271 1 189 . 1 1 20 20 GLN HB3 H 1 1.690 0.000 . 2 . . . . 20 GLN QB . 15271 1 190 . 1 1 20 20 GLN HG2 H 1 2.590 0.000 . 2 . . . . 20 GLN QG . 15271 1 191 . 1 1 20 20 GLN HG3 H 1 2.590 0.000 . 2 . . . . 20 GLN QG . 15271 1 192 . 1 1 20 20 GLN C C 13 175.920 0.000 . 1 . . . . 20 GLN C . 15271 1 193 . 1 1 20 20 GLN CA C 13 54.820 0.000 . 1 . . . . 20 GLN CA . 15271 1 194 . 1 1 20 20 GLN CB C 13 31.860 0.000 . 1 . . . . 20 GLN CB . 15271 1 195 . 1 1 20 20 GLN N N 15 120.190 0.000 . 1 . . . . 20 GLN N . 15271 1 196 . 1 1 21 21 CYS H H 1 8.800 0.000 . 1 . . . . 21 CYS H . 15271 1 197 . 1 1 21 21 CYS HA H 1 5.030 0.000 . 1 . . . . 21 CYS HA . 15271 1 198 . 1 1 21 21 CYS HB2 H 1 2.720 0.000 . 2 . . . . 21 CYS HB2 . 15271 1 199 . 1 1 21 21 CYS HB3 H 1 3.580 0.000 . 2 . . . . 21 CYS HB3 . 15271 1 200 . 1 1 21 21 CYS CA C 13 54.650 0.000 . 1 . . . . 21 CYS CA . 15271 1 201 . 1 1 21 21 CYS CB C 13 44.030 0.000 . 1 . . . . 21 CYS CB . 15271 1 202 . 1 1 21 21 CYS N N 15 115.910 0.000 . 1 . . . . 21 CYS N . 15271 1 203 . 1 1 22 22 ASP H H 1 8.100 0.000 . 1 . . . . 22 ASP H . 15271 1 204 . 1 1 22 22 ASP HA H 1 4.900 0.000 . 1 . . . . 22 ASP HA . 15271 1 205 . 1 1 22 22 ASP HB2 H 1 2.870 0.000 . 2 . . . . 22 ASP HB2 . 15271 1 206 . 1 1 22 22 ASP HB3 H 1 2.440 0.000 . 2 . . . . 22 ASP HB3 . 15271 1 207 . 1 1 22 22 ASP C C 13 176.140 0.000 . 1 . . . . 22 ASP C . 15271 1 208 . 1 1 22 22 ASP CA C 13 52.570 0.000 . 1 . . . . 22 ASP CA . 15271 1 209 . 1 1 22 22 ASP CB C 13 43.400 0.000 . 1 . . . . 22 ASP CB . 15271 1 210 . 1 1 22 22 ASP N N 15 118.910 0.000 . 1 . . . . 22 ASP N . 15271 1 211 . 1 1 23 23 GLU H H 1 8.830 0.000 . 1 . . . . 23 GLU H . 15271 1 212 . 1 1 23 23 GLU HA H 1 4.190 0.000 . 1 . . . . 23 GLU HA . 15271 1 213 . 1 1 23 23 GLU HB2 H 1 2.150 0.000 . 2 . . . . 23 GLU HB2 . 15271 1 214 . 1 1 23 23 GLU HB3 H 1 2.120 0.000 . 2 . . . . 23 GLU HB3 . 15271 1 215 . 1 1 23 23 GLU HG2 H 1 2.400 0.000 . 2 . . . . 23 GLU QG . 15271 1 216 . 1 1 23 23 GLU HG3 H 1 2.400 0.000 . 2 . . . . 23 GLU QG . 15271 1 217 . 1 1 23 23 GLU C C 13 178.210 0.000 . 1 . . . . 23 GLU C . 15271 1 218 . 1 1 23 23 GLU CA C 13 59.260 0.000 . 1 . . . . 23 GLU CA . 15271 1 219 . 1 1 23 23 GLU CB C 13 29.630 0.000 . 1 . . . . 23 GLU CB . 15271 1 220 . 1 1 23 23 GLU CG C 13 36.140 0.000 . 1 . . . . 23 GLU CG . 15271 1 221 . 1 1 23 23 GLU N N 15 118.670 0.000 . 1 . . . . 23 GLU N . 15271 1 222 . 1 1 24 24 LEU H H 1 7.940 0.000 . 1 . . . . 24 LEU H . 15271 1 223 . 1 1 24 24 LEU HA H 1 4.560 0.000 . 1 . . . . 24 LEU HA . 15271 1 224 . 1 1 24 24 LEU HB2 H 1 1.870 0.000 . 2 . . . . 24 LEU HB2 . 15271 1 225 . 1 1 24 24 LEU HB3 H 1 1.730 0.000 . 2 . . . . 24 LEU HB3 . 15271 1 226 . 1 1 24 24 LEU HD11 H 1 0.880 0.000 . 2 . . . . 24 LEU QD1 . 15271 1 227 . 1 1 24 24 LEU HD12 H 1 0.880 0.000 . 2 . . . . 24 LEU QD1 . 15271 1 228 . 1 1 24 24 LEU HD13 H 1 0.880 0.000 . 2 . . . . 24 LEU QD1 . 15271 1 229 . 1 1 24 24 LEU HD21 H 1 0.680 0.000 . 2 . . . . 24 LEU QD2 . 15271 1 230 . 1 1 24 24 LEU HD22 H 1 0.680 0.000 . 2 . . . . 24 LEU QD2 . 15271 1 231 . 1 1 24 24 LEU HD23 H 1 0.680 0.000 . 2 . . . . 24 LEU QD2 . 15271 1 232 . 1 1 24 24 LEU HG H 1 1.600 0.000 . 1 . . . . 24 LEU HG . 15271 1 233 . 1 1 24 24 LEU C C 13 178.120 0.000 . 1 . . . . 24 LEU C . 15271 1 234 . 1 1 24 24 LEU CA C 13 54.950 0.000 . 1 . . . . 24 LEU CA . 15271 1 235 . 1 1 24 24 LEU CB C 13 41.780 0.000 . 1 . . . . 24 LEU CB . 15271 1 236 . 1 1 24 24 LEU CD1 C 13 25.380 0.000 . 2 . . . . 24 LEU CD1 . 15271 1 237 . 1 1 24 24 LEU CD2 C 13 22.890 0.000 . 2 . . . . 24 LEU CD2 . 15271 1 238 . 1 1 24 24 LEU CG C 13 27.150 0.000 . 1 . . . . 24 LEU CG . 15271 1 239 . 1 1 24 24 LEU N N 15 118.710 0.000 . 1 . . . . 24 LEU N . 15271 1 240 . 1 1 25 25 CYS H H 1 8.020 0.000 . 1 . . . . 25 CYS H . 15271 1 241 . 1 1 25 25 CYS HA H 1 4.500 0.000 . 1 . . . . 25 CYS HA . 15271 1 242 . 1 1 25 25 CYS HB2 H 1 2.870 0.000 . 2 . . . . 25 CYS HB2 . 15271 1 243 . 1 1 25 25 CYS HB3 H 1 3.030 0.000 . 2 . . . . 25 CYS HB3 . 15271 1 244 . 1 1 25 25 CYS C C 13 177.150 0.000 . 1 . . . . 25 CYS C . 15271 1 245 . 1 1 25 25 CYS CA C 13 59.110 0.000 . 1 . . . . 25 CYS CA . 15271 1 246 . 1 1 25 25 CYS CB C 13 39.630 0.000 . 1 . . . . 25 CYS CB . 15271 1 247 . 1 1 25 25 CYS N N 15 120.160 0.000 . 1 . . . . 25 CYS N . 15271 1 248 . 1 1 26 26 SER H H 1 8.250 0.000 . 1 . . . . 26 SER H . 15271 1 249 . 1 1 26 26 SER HA H 1 4.150 0.000 . 1 . . . . 26 SER HA . 15271 1 250 . 1 1 26 26 SER HB2 H 1 3.900 0.000 . 2 . . . . 26 SER HB2 . 15271 1 251 . 1 1 26 26 SER HB3 H 1 3.870 0.000 . 2 . . . . 26 SER HB3 . 15271 1 252 . 1 1 26 26 SER C C 13 177.130 0.000 . 1 . . . . 26 SER C . 15271 1 253 . 1 1 26 26 SER CA C 13 62.390 0.000 . 1 . . . . 26 SER CA . 15271 1 254 . 1 1 26 26 SER CB C 13 66.320 0.000 . 1 . . . . 26 SER CB . 15271 1 255 . 1 1 26 26 SER N N 15 119.160 0.000 . 1 . . . . 26 SER N . 15271 1 256 . 1 1 27 27 TYR H H 1 7.680 0.000 . 1 . . . . 27 TYR H . 15271 1 257 . 1 1 27 27 TYR HA H 1 4.090 0.000 . 1 . . . . 27 TYR HA . 15271 1 258 . 1 1 27 27 TYR HB2 H 1 2.710 0.000 . 2 . . . . 27 TYR HB2 . 15271 1 259 . 1 1 27 27 TYR HB3 H 1 2.900 0.000 . 2 . . . . 27 TYR HB3 . 15271 1 260 . 1 1 27 27 TYR HD1 H 1 6.420 0.000 . 3 . . . . 27 TYR QD . 15271 1 261 . 1 1 27 27 TYR HD2 H 1 6.420 0.000 . 3 . . . . 27 TYR QD . 15271 1 262 . 1 1 27 27 TYR HE1 H 1 6.600 0.000 . 3 . . . . 27 TYR QE . 15271 1 263 . 1 1 27 27 TYR HE2 H 1 6.600 0.000 . 3 . . . . 27 TYR QE . 15271 1 264 . 1 1 27 27 TYR C C 13 176.860 0.000 . 1 . . . . 27 TYR C . 15271 1 265 . 1 1 27 27 TYR CA C 13 60.630 0.000 . 1 . . . . 27 TYR CA . 15271 1 266 . 1 1 27 27 TYR CB C 13 37.780 0.000 . 1 . . . . 27 TYR CB . 15271 1 267 . 1 1 27 27 TYR CD1 C 13 132.890 0.000 . 3 . . . . 27 TYR CD1 . 15271 1 268 . 1 1 27 27 TYR CE1 C 13 118.040 0.000 . 3 . . . . 27 TYR CE1 . 15271 1 269 . 1 1 27 27 TYR N N 15 124.450 0.000 . 1 . . . . 27 TYR N . 15271 1 270 . 1 1 28 28 TYR H H 1 7.290 0.000 . 1 . . . . 28 TYR H . 15271 1 271 . 1 1 28 28 TYR HA H 1 4.320 0.000 . 1 . . . . 28 TYR HA . 15271 1 272 . 1 1 28 28 TYR HB2 H 1 3.320 0.000 . 2 . . . . 28 TYR HB2 . 15271 1 273 . 1 1 28 28 TYR HB3 H 1 2.650 0.000 . 2 . . . . 28 TYR HB3 . 15271 1 274 . 1 1 28 28 TYR HD1 H 1 7.160 0.000 . 3 . . . . 28 TYR QD . 15271 1 275 . 1 1 28 28 TYR HD2 H 1 7.160 0.000 . 3 . . . . 28 TYR QD . 15271 1 276 . 1 1 28 28 TYR HE1 H 1 6.770 0.000 . 3 . . . . 28 TYR QE . 15271 1 277 . 1 1 28 28 TYR HE2 H 1 6.770 0.000 . 3 . . . . 28 TYR QE . 15271 1 278 . 1 1 28 28 TYR C C 13 174.410 0.000 . 1 . . . . 28 TYR C . 15271 1 279 . 1 1 28 28 TYR CA C 13 58.660 0.000 . 1 . . . . 28 TYR CA . 15271 1 280 . 1 1 28 28 TYR CB C 13 38.300 0.000 . 1 . . . . 28 TYR CB . 15271 1 281 . 1 1 28 28 TYR CD1 C 13 133.500 0.000 . 3 . . . . 28 TYR CD1 . 15271 1 282 . 1 1 28 28 TYR CE1 C 13 118.190 0.000 . 3 . . . . 28 TYR CE1 . 15271 1 283 . 1 1 28 28 TYR N N 15 115.510 0.000 . 1 . . . . 28 TYR N . 15271 1 284 . 1 1 29 29 GLN H H 1 7.900 0.000 . 1 . . . . 29 GLN H . 15271 1 285 . 1 1 29 29 GLN HA H 1 4.110 0.000 . 1 . . . . 29 GLN HA . 15271 1 286 . 1 1 29 29 GLN HB2 H 1 2.260 0.000 . 2 . . . . 29 GLN QB . 15271 1 287 . 1 1 29 29 GLN HB3 H 1 2.260 0.000 . 2 . . . . 29 GLN QB . 15271 1 288 . 1 1 29 29 GLN HG2 H 1 2.260 0.000 . 2 . . . . 29 GLN QG . 15271 1 289 . 1 1 29 29 GLN HG3 H 1 2.260 0.000 . 2 . . . . 29 GLN QG . 15271 1 290 . 1 1 29 29 GLN C C 13 176.000 0.000 . 1 . . . . 29 GLN C . 15271 1 291 . 1 1 29 29 GLN CA C 13 57.070 0.000 . 1 . . . . 29 GLN CA . 15271 1 292 . 1 1 29 29 GLN CB C 13 26.060 0.000 . 1 . . . . 29 GLN CB . 15271 1 293 . 1 1 29 29 GLN CG C 13 34.330 0.000 . 1 . . . . 29 GLN CG . 15271 1 294 . 1 1 29 29 GLN N N 15 116.630 0.000 . 1 . . . . 29 GLN N . 15271 1 295 . 1 1 30 30 SER H H 1 8.750 0.000 . 1 . . . . 30 SER H . 15271 1 296 . 1 1 30 30 SER HA H 1 4.230 0.000 . 1 . . . . 30 SER HA . 15271 1 297 . 1 1 30 30 SER HB2 H 1 3.590 0.000 . 2 . . . . 30 SER QB . 15271 1 298 . 1 1 30 30 SER HB3 H 1 3.590 0.000 . 2 . . . . 30 SER QB . 15271 1 299 . 1 1 30 30 SER CA C 13 56.990 0.000 . 1 . . . . 30 SER CA . 15271 1 300 . 1 1 30 30 SER CB C 13 65.640 0.000 . 1 . . . . 30 SER CB . 15271 1 301 . 1 1 30 30 SER N N 15 110.860 0.000 . 1 . . . . 30 SER N . 15271 1 302 . 1 1 31 31 CYS H H 1 8.050 0.000 . 1 . . . . 31 CYS H . 15271 1 303 . 1 1 31 31 CYS HA H 1 5.040 0.000 . 1 . . . . 31 CYS HA . 15271 1 304 . 1 1 31 31 CYS HB2 H 1 3.130 0.000 . 2 . . . . 31 CYS HB2 . 15271 1 305 . 1 1 31 31 CYS HB3 H 1 2.730 0.000 . 2 . . . . 31 CYS HB3 . 15271 1 306 . 1 1 31 31 CYS C C 13 177.760 0.000 . 1 . . . . 31 CYS C . 15271 1 307 . 1 1 31 31 CYS CA C 13 54.470 0.000 . 1 . . . . 31 CYS CA . 15271 1 308 . 1 1 31 31 CYS CB C 13 40.960 0.000 . 1 . . . . 31 CYS CB . 15271 1 309 . 1 1 31 31 CYS N N 15 122.850 0.000 . 1 . . . . 31 CYS N . 15271 1 310 . 1 1 32 32 CYS H H 1 8.430 0.000 . 1 . . . . 32 CYS H . 15271 1 311 . 1 1 32 32 CYS HA H 1 4.800 0.000 . 1 . . . . 32 CYS HA . 15271 1 312 . 1 1 32 32 CYS HB2 H 1 3.300 0.000 . 2 . . . . 32 CYS HB2 . 15271 1 313 . 1 1 32 32 CYS HB3 H 1 3.500 0.000 . 2 . . . . 32 CYS HB3 . 15271 1 314 . 1 1 32 32 CYS C C 13 176.690 0.000 . 1 . . . . 32 CYS C . 15271 1 315 . 1 1 32 32 CYS CA C 13 55.180 0.000 . 1 . . . . 32 CYS CA . 15271 1 316 . 1 1 32 32 CYS CB C 13 41.380 0.000 . 1 . . . . 32 CYS CB . 15271 1 317 . 1 1 32 32 CYS N N 15 120.850 0.000 . 1 . . . . 32 CYS N . 15271 1 318 . 1 1 33 33 THR H H 1 9.390 0.000 . 1 . . . . 33 THR H . 15271 1 319 . 1 1 33 33 THR HA H 1 4.050 0.000 . 1 . . . . 33 THR HA . 15271 1 320 . 1 1 33 33 THR HB H 1 4.340 0.000 . 1 . . . . 33 THR HB . 15271 1 321 . 1 1 33 33 THR HG21 H 1 1.350 0.000 . 1 . . . . 33 THR QG2 . 15271 1 322 . 1 1 33 33 THR HG22 H 1 1.350 0.000 . 1 . . . . 33 THR QG2 . 15271 1 323 . 1 1 33 33 THR HG23 H 1 1.350 0.000 . 1 . . . . 33 THR QG2 . 15271 1 324 . 1 1 33 33 THR C C 13 175.260 0.000 . 1 . . . . 33 THR C . 15271 1 325 . 1 1 33 33 THR CA C 13 65.930 0.000 . 1 . . . . 33 THR CA . 15271 1 326 . 1 1 33 33 THR CB C 13 68.730 0.000 . 1 . . . . 33 THR CB . 15271 1 327 . 1 1 33 33 THR CG2 C 13 21.910 0.000 . 1 . . . . 33 THR CG2 . 15271 1 328 . 1 1 33 33 THR N N 15 116.890 0.000 . 1 . . . . 33 THR N . 15271 1 329 . 1 1 34 34 ASP H H 1 7.800 0.000 . 1 . . . . 34 ASP H . 15271 1 330 . 1 1 34 34 ASP HA H 1 4.890 0.000 . 1 . . . . 34 ASP HA . 15271 1 331 . 1 1 34 34 ASP HB2 H 1 3.230 0.000 . 2 . . . . 34 ASP HB2 . 15271 1 332 . 1 1 34 34 ASP HB3 H 1 2.500 0.000 . 2 . . . . 34 ASP HB3 . 15271 1 333 . 1 1 34 34 ASP CA C 13 52.460 0.000 . 1 . . . . 34 ASP CA . 15271 1 334 . 1 1 34 34 ASP CB C 13 39.870 0.000 . 1 . . . . 34 ASP CB . 15271 1 335 . 1 1 34 34 ASP N N 15 118.320 0.000 . 1 . . . . 34 ASP N . 15271 1 336 . 1 1 35 35 TYR H H 1 7.660 0.000 . 1 . . . . 35 TYR H . 15271 1 337 . 1 1 35 35 TYR HA H 1 3.810 0.000 . 1 . . . . 35 TYR HA . 15271 1 338 . 1 1 35 35 TYR HB2 H 1 2.970 0.000 . 2 . . . . 35 TYR HB2 . 15271 1 339 . 1 1 35 35 TYR HB3 H 1 3.570 0.000 . 2 . . . . 35 TYR HB3 . 15271 1 340 . 1 1 35 35 TYR HD1 H 1 7.160 0.000 . 3 . . . . 35 TYR QD . 15271 1 341 . 1 1 35 35 TYR HD2 H 1 7.160 0.000 . 3 . . . . 35 TYR QD . 15271 1 342 . 1 1 35 35 TYR HE1 H 1 6.680 0.000 . 3 . . . . 35 TYR QE . 15271 1 343 . 1 1 35 35 TYR HE2 H 1 6.680 0.000 . 3 . . . . 35 TYR QE . 15271 1 344 . 1 1 35 35 TYR C C 13 176.700 0.000 . 1 . . . . 35 TYR C . 15271 1 345 . 1 1 35 35 TYR CA C 13 62.860 0.000 . 1 . . . . 35 TYR CA . 15271 1 346 . 1 1 35 35 TYR CB C 13 39.560 0.000 . 1 . . . . 35 TYR CB . 15271 1 347 . 1 1 35 35 TYR CD1 C 13 133.360 0.000 . 3 . . . . 35 TYR CD1 . 15271 1 348 . 1 1 35 35 TYR CE1 C 13 118.200 0.000 . 3 . . . . 35 TYR CE1 . 15271 1 349 . 1 1 35 35 TYR N N 15 119.280 0.000 . 1 . . . . 35 TYR N . 15271 1 350 . 1 1 36 36 THR H H 1 8.550 0.000 . 1 . . . . 36 THR H . 15271 1 351 . 1 1 36 36 THR HA H 1 3.320 0.000 . 1 . . . . 36 THR HA . 15271 1 352 . 1 1 36 36 THR HB H 1 4.120 0.000 . 1 . . . . 36 THR HB . 15271 1 353 . 1 1 36 36 THR HG21 H 1 1.200 0.000 . 1 . . . . 36 THR QG2 . 15271 1 354 . 1 1 36 36 THR HG22 H 1 1.200 0.000 . 1 . . . . 36 THR QG2 . 15271 1 355 . 1 1 36 36 THR HG23 H 1 1.200 0.000 . 1 . . . . 36 THR QG2 . 15271 1 356 . 1 1 36 36 THR C C 13 176.100 0.000 . 1 . . . . 36 THR C . 15271 1 357 . 1 1 36 36 THR CA C 13 66.320 0.000 . 1 . . . . 36 THR CA . 15271 1 358 . 1 1 36 36 THR CB C 13 67.990 0.000 . 1 . . . . 36 THR CB . 15271 1 359 . 1 1 36 36 THR CG2 C 13 22.360 0.000 . 1 . . . . 36 THR CG2 . 15271 1 360 . 1 1 36 36 THR N N 15 113.140 0.000 . 1 . . . . 36 THR N . 15271 1 361 . 1 1 37 37 ALA H H 1 7.510 0.000 . 1 . . . . 37 ALA H . 15271 1 362 . 1 1 37 37 ALA HA H 1 3.990 0.000 . 1 . . . . 37 ALA HA . 15271 1 363 . 1 1 37 37 ALA HB1 H 1 1.370 0.000 . 1 . . . . 37 ALA QB . 15271 1 364 . 1 1 37 37 ALA HB2 H 1 1.370 0.000 . 1 . . . . 37 ALA QB . 15271 1 365 . 1 1 37 37 ALA HB3 H 1 1.370 0.000 . 1 . . . . 37 ALA QB . 15271 1 366 . 1 1 37 37 ALA C C 13 179.460 0.000 . 1 . . . . 37 ALA C . 15271 1 367 . 1 1 37 37 ALA CA C 13 54.570 0.000 . 1 . . . . 37 ALA CA . 15271 1 368 . 1 1 37 37 ALA CB C 13 18.940 0.000 . 1 . . . . 37 ALA CB . 15271 1 369 . 1 1 37 37 ALA N N 15 122.350 0.000 . 1 . . . . 37 ALA N . 15271 1 370 . 1 1 38 38 GLU H H 1 8.080 0.000 . 1 . . . . 38 GLU H . 15271 1 371 . 1 1 38 38 GLU HA H 1 4.150 0.000 . 1 . . . . 38 GLU HA . 15271 1 372 . 1 1 38 38 GLU HB2 H 1 1.880 0.000 . 2 . . . . 38 GLU HB2 . 15271 1 373 . 1 1 38 38 GLU HB3 H 1 1.590 0.000 . 2 . . . . 38 GLU HB3 . 15271 1 374 . 1 1 38 38 GLU HG2 H 1 1.870 0.000 . 2 . . . . 38 GLU HG2 . 15271 1 375 . 1 1 38 38 GLU HG3 H 1 2.200 0.000 . 2 . . . . 38 GLU HG3 . 15271 1 376 . 1 1 38 38 GLU C C 13 178.230 0.000 . 1 . . . . 38 GLU C . 15271 1 377 . 1 1 38 38 GLU CA C 13 57.620 0.000 . 1 . . . . 38 GLU CA . 15271 1 378 . 1 1 38 38 GLU CB C 13 30.600 0.000 . 1 . . . . 38 GLU CB . 15271 1 379 . 1 1 38 38 GLU CG C 13 35.570 0.000 . 1 . . . . 38 GLU CG . 15271 1 380 . 1 1 38 38 GLU N N 15 112.820 0.000 . 1 . . . . 38 GLU N . 15271 1 381 . 1 1 39 39 CYS H H 1 8.370 0.000 . 1 . . . . 39 CYS H . 15271 1 382 . 1 1 39 39 CYS HA H 1 4.980 0.000 . 1 . . . . 39 CYS HA . 15271 1 383 . 1 1 39 39 CYS HB2 H 1 2.200 0.000 . 2 . . . . 39 CYS HB2 . 15271 1 384 . 1 1 39 39 CYS HB3 H 1 3.210 0.000 . 2 . . . . 39 CYS HB3 . 15271 1 385 . 1 1 39 39 CYS C C 13 175.460 0.000 . 1 . . . . 39 CYS C . 15271 1 386 . 1 1 39 39 CYS CA C 13 52.530 0.000 . 1 . . . . 39 CYS CA . 15271 1 387 . 1 1 39 39 CYS CB C 13 37.290 0.000 . 1 . . . . 39 CYS CB . 15271 1 388 . 1 1 39 39 CYS N N 15 113.740 0.000 . 1 . . . . 39 CYS N . 15271 1 389 . 1 1 40 40 LYS H H 1 7.580 0.000 . 1 . . . . 40 LYS H . 15271 1 390 . 1 1 40 40 LYS HA H 1 4.490 0.000 . 1 . . . . 40 LYS HA . 15271 1 391 . 1 1 40 40 LYS HB2 H 1 1.740 0.000 . 2 . . . . 40 LYS HB2 . 15271 1 392 . 1 1 40 40 LYS HB3 H 1 1.720 0.000 . 2 . . . . 40 LYS HB3 . 15271 1 393 . 1 1 40 40 LYS HD2 H 1 1.700 0.000 . 2 . . . . 40 LYS QD . 15271 1 394 . 1 1 40 40 LYS HD3 H 1 1.700 0.000 . 2 . . . . 40 LYS QD . 15271 1 395 . 1 1 40 40 LYS HE2 H 1 2.990 0.000 . 2 . . . . 40 LYS QE . 15271 1 396 . 1 1 40 40 LYS HE3 H 1 2.990 0.000 . 2 . . . . 40 LYS QE . 15271 1 397 . 1 1 40 40 LYS HG2 H 1 1.180 0.000 . 2 . . . . 40 LYS HG2 . 15271 1 398 . 1 1 40 40 LYS HG3 H 1 1.250 0.000 . 2 . . . . 40 LYS HG3 . 15271 1 399 . 1 1 40 40 LYS C C 13 173.380 0.000 . 1 . . . . 40 LYS C . 15271 1 400 . 1 1 40 40 LYS CA C 13 54.840 0.000 . 1 . . . . 40 LYS CA . 15271 1 401 . 1 1 40 40 LYS CB C 13 31.870 0.000 . 1 . . . . 40 LYS CB . 15271 1 402 . 1 1 40 40 LYS CD C 13 28.940 0.000 . 1 . . . . 40 LYS CD . 15271 1 403 . 1 1 40 40 LYS CE C 13 42.070 0.000 . 1 . . . . 40 LYS CE . 15271 1 404 . 1 1 40 40 LYS CG C 13 24.320 0.000 . 1 . . . . 40 LYS CG . 15271 1 405 . 1 1 40 40 LYS N N 15 120.190 0.000 . 1 . . . . 40 LYS N . 15271 1 406 . 1 1 41 41 PRO HA H 1 4.340 0.000 . 1 . . . . 41 PRO HA . 15271 1 407 . 1 1 41 41 PRO HB2 H 1 2.240 0.000 . 2 . . . . 41 PRO QB . 15271 1 408 . 1 1 41 41 PRO HB3 H 1 2.240 0.000 . 2 . . . . 41 PRO QB . 15271 1 409 . 1 1 41 41 PRO HD2 H 1 3.520 0.000 . 2 . . . . 41 PRO HD2 . 15271 1 410 . 1 1 41 41 PRO HD3 H 1 3.280 0.000 . 2 . . . . 41 PRO HD3 . 15271 1 411 . 1 1 41 41 PRO HG2 H 1 1.890 0.000 . 2 . . . . 41 PRO QG . 15271 1 412 . 1 1 41 41 PRO HG3 H 1 1.890 0.000 . 2 . . . . 41 PRO QG . 15271 1 413 . 1 1 41 41 PRO C C 13 177.410 0.000 . 1 . . . . 41 PRO C . 15271 1 414 . 1 1 41 41 PRO CA C 13 63.750 0.000 . 1 . . . . 41 PRO CA . 15271 1 415 . 1 1 41 41 PRO CB C 13 31.850 0.000 . 1 . . . . 41 PRO CB . 15271 1 416 . 1 1 41 41 PRO CD C 13 50.620 0.000 . 1 . . . . 41 PRO CD . 15271 1 417 . 1 1 41 41 PRO CG C 13 27.390 0.000 . 1 . . . . 41 PRO CG . 15271 1 418 . 1 1 42 42 GLN H H 1 8.570 0.000 . 1 . . . . 42 GLN H . 15271 1 419 . 1 1 42 42 GLN HA H 1 4.280 0.000 . 1 . . . . 42 GLN HA . 15271 1 420 . 1 1 42 42 GLN HB2 H 1 1.950 0.000 . 2 . . . . 42 GLN HB2 . 15271 1 421 . 1 1 42 42 GLN HB3 H 1 2.070 0.000 . 2 . . . . 42 GLN HB3 . 15271 1 422 . 1 1 42 42 GLN HG2 H 1 2.370 0.000 . 2 . . . . 42 GLN QG . 15271 1 423 . 1 1 42 42 GLN HG3 H 1 2.370 0.000 . 2 . . . . 42 GLN QG . 15271 1 424 . 1 1 42 42 GLN C C 13 176.290 0.000 . 1 . . . . 42 GLN C . 15271 1 425 . 1 1 42 42 GLN CA C 13 56.080 0.000 . 1 . . . . 42 GLN CA . 15271 1 426 . 1 1 42 42 GLN CB C 13 29.280 0.000 . 1 . . . . 42 GLN CB . 15271 1 427 . 1 1 42 42 GLN N N 15 120.040 0.000 . 1 . . . . 42 GLN N . 15271 1 428 . 1 1 43 43 VAL H H 1 8.130 0.000 . 1 . . . . 43 VAL H . 15271 1 429 . 1 1 43 43 VAL HA H 1 4.140 0.000 . 1 . . . . 43 VAL HA . 15271 1 430 . 1 1 43 43 VAL HB H 1 2.070 0.000 . 1 . . . . 43 VAL HB . 15271 1 431 . 1 1 43 43 VAL HG11 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 432 . 1 1 43 43 VAL HG12 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 433 . 1 1 43 43 VAL HG13 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 434 . 1 1 43 43 VAL HG21 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 435 . 1 1 43 43 VAL HG22 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 436 . 1 1 43 43 VAL HG23 H 1 0.910 0.000 . 2 . . . . 43 VAL QQG . 15271 1 437 . 1 1 43 43 VAL C C 13 176.370 0.000 . 1 . . . . 43 VAL C . 15271 1 438 . 1 1 43 43 VAL CA C 13 62.570 0.000 . 1 . . . . 43 VAL CA . 15271 1 439 . 1 1 43 43 VAL CB C 13 32.680 0.000 . 1 . . . . 43 VAL CB . 15271 1 440 . 1 1 43 43 VAL CG1 C 13 20.940 0.000 . 2 . . . . 43 VAL CG1 . 15271 1 441 . 1 1 43 43 VAL N N 15 121.060 0.000 . 1 . . . . 43 VAL N . 15271 1 442 . 1 1 44 44 THR H H 1 8.230 0.000 . 1 . . . . 44 THR H . 15271 1 443 . 1 1 44 44 THR HA H 1 4.330 0.000 . 1 . . . . 44 THR HA . 15271 1 444 . 1 1 44 44 THR HB H 1 4.160 0.000 . 1 . . . . 44 THR HB . 15271 1 445 . 1 1 44 44 THR HG21 H 1 1.160 0.000 . 1 . . . . 44 THR QG2 . 15271 1 446 . 1 1 44 44 THR HG22 H 1 1.160 0.000 . 1 . . . . 44 THR QG2 . 15271 1 447 . 1 1 44 44 THR HG23 H 1 1.160 0.000 . 1 . . . . 44 THR QG2 . 15271 1 448 . 1 1 44 44 THR C C 13 174.420 0.000 . 1 . . . . 44 THR C . 15271 1 449 . 1 1 44 44 THR CA C 13 61.810 0.000 . 1 . . . . 44 THR CA . 15271 1 450 . 1 1 44 44 THR CB C 13 69.830 0.000 . 1 . . . . 44 THR CB . 15271 1 451 . 1 1 44 44 THR CG2 C 13 21.270 0.000 . 1 . . . . 44 THR CG2 . 15271 1 452 . 1 1 44 44 THR N N 15 117.970 0.000 . 1 . . . . 44 THR N . 15271 1 453 . 1 1 45 45 ARG H H 1 8.380 0.000 . 1 . . . . 45 ARG H . 15271 1 454 . 1 1 45 45 ARG HA H 1 4.340 0.000 . 1 . . . . 45 ARG HA . 15271 1 455 . 1 1 45 45 ARG HB2 H 1 1.720 0.000 . 2 . . . . 45 ARG HB2 . 15271 1 456 . 1 1 45 45 ARG HB3 H 1 1.840 0.000 . 2 . . . . 45 ARG HB3 . 15271 1 457 . 1 1 45 45 ARG HD2 H 1 3.110 0.000 . 2 . . . . 45 ARG QD . 15271 1 458 . 1 1 45 45 ARG HD3 H 1 3.110 0.000 . 2 . . . . 45 ARG QD . 15271 1 459 . 1 1 45 45 ARG HG2 H 1 1.560 0.000 . 2 . . . . 45 ARG HG2 . 15271 1 460 . 1 1 45 45 ARG HG3 H 1 1.590 0.000 . 2 . . . . 45 ARG HG3 . 15271 1 461 . 1 1 45 45 ARG C C 13 176.620 0.000 . 1 . . . . 45 ARG C . 15271 1 462 . 1 1 45 45 ARG CA C 13 56.350 0.000 . 1 . . . . 45 ARG CA . 15271 1 463 . 1 1 45 45 ARG CB C 13 30.960 0.000 . 1 . . . . 45 ARG CB . 15271 1 464 . 1 1 45 45 ARG CD C 13 43.170 0.000 . 1 . . . . 45 ARG CD . 15271 1 465 . 1 1 45 45 ARG CG C 13 26.920 0.000 . 1 . . . . 45 ARG CG . 15271 1 466 . 1 1 45 45 ARG N N 15 123.510 0.000 . 1 . . . . 45 ARG N . 15271 1 467 . 1 1 46 46 GLY H H 1 8.400 0.000 . 1 . . . . 46 GLY H . 15271 1 468 . 1 1 46 46 GLY HA2 H 1 3.920 0.000 . 2 . . . . 46 GLY QA . 15271 1 469 . 1 1 46 46 GLY HA3 H 1 3.920 0.000 . 2 . . . . 46 GLY QA . 15271 1 470 . 1 1 46 46 GLY C C 13 173.650 0.000 . 1 . . . . 46 GLY C . 15271 1 471 . 1 1 46 46 GLY CA C 13 45.290 0.000 . 1 . . . . 46 GLY CA . 15271 1 472 . 1 1 46 46 GLY N N 15 109.880 0.000 . 1 . . . . 46 GLY N . 15271 1 473 . 1 1 47 47 ASP H H 1 8.220 0.000 . 1 . . . . 47 ASP H . 15271 1 474 . 1 1 47 47 ASP HA H 1 4.530 0.000 . 1 . . . . 47 ASP HA . 15271 1 475 . 1 1 47 47 ASP HB2 H 1 2.590 0.000 . 2 . . . . 47 ASP QB . 15271 1 476 . 1 1 47 47 ASP HB3 H 1 2.590 0.000 . 2 . . . . 47 ASP QB . 15271 1 477 . 1 1 47 47 ASP C C 13 176.180 0.000 . 1 . . . . 47 ASP C . 15271 1 478 . 1 1 47 47 ASP CA C 13 54.110 0.000 . 1 . . . . 47 ASP CA . 15271 1 479 . 1 1 47 47 ASP CB C 13 41.180 0.000 . 1 . . . . 47 ASP CB . 15271 1 480 . 1 1 47 47 ASP N N 15 119.960 0.000 . 1 . . . . 47 ASP N . 15271 1 stop_ save_