################################### # 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 17143 _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' . . . 17143 1 2 '3D HNCO' . . . 17143 1 3 '3D HNCA' . . . 17143 1 4 '3D HNCACB' . . . 17143 1 5 '3D HN(CO)CA' . . . 17143 1 6 '3D HN(COCA)CB' . . . 17143 1 7 '3D HN(CA)CO' . . . 17143 1 8 '3D HBHA(CO)NH' . . . 17143 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 $NMRPipe . . 17143 1 2 $NMRView . . 17143 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 6 6 SER HA H 1 4.410 0.030 . 1 . . . . 3 S HA . 17143 1 2 . 1 1 6 6 SER C C 13 175.020 0.300 . 1 . . . . 3 S C . 17143 1 3 . 1 1 6 6 SER CA C 13 58.590 0.300 . 1 . . . . 3 S CA . 17143 1 4 . 1 1 6 6 SER CB C 13 64.026 0.300 . 1 . . . . 3 S CB . 17143 1 5 . 1 1 7 7 THR H H 1 8.160 0.030 . 1 . . . . 4 T H . 17143 1 6 . 1 1 7 7 THR HA H 1 4.210 0.030 . 1 . . . . 4 T HA . 17143 1 7 . 1 1 7 7 THR C C 13 174.390 0.300 . 1 . . . . 4 T C . 17143 1 8 . 1 1 7 7 THR CA C 13 62.151 0.300 . 1 . . . . 4 T CA . 17143 1 9 . 1 1 7 7 THR CB C 13 69.719 0.300 . 1 . . . . 4 T CB . 17143 1 10 . 1 1 7 7 THR N N 15 115.160 0.300 . 1 . . . . 4 T N . 17143 1 11 . 1 1 8 8 ASP H H 1 8.234 0.030 . 1 . . . . 5 D H . 17143 1 12 . 1 1 8 8 ASP HA H 1 4.540 0.030 . 1 . . . . 5 D HA . 17143 1 13 . 1 1 8 8 ASP C C 13 176.580 0.300 . 1 . . . . 5 D C . 17143 1 14 . 1 1 8 8 ASP CA C 13 54.542 0.300 . 1 . . . . 5 D CA . 17143 1 15 . 1 1 8 8 ASP CB C 13 41.236 0.300 . 1 . . . . 5 D CB . 17143 1 16 . 1 1 8 8 ASP N N 15 122.750 0.300 . 1 . . . . 5 D N . 17143 1 17 . 1 1 9 9 VAL H H 1 8.072 0.030 . 1 . . . . 6 V H . 17143 1 18 . 1 1 9 9 VAL HA H 1 4.060 0.030 . 1 . . . . 6 V HA . 17143 1 19 . 1 1 9 9 VAL C C 13 176.650 0.300 . 1 . . . . 6 V C . 17143 1 20 . 1 1 9 9 VAL CA C 13 62.527 0.300 . 1 . . . . 6 V CA . 17143 1 21 . 1 1 9 9 VAL CB C 13 32.394 0.300 . 1 . . . . 6 V CB . 17143 1 22 . 1 1 9 9 VAL N N 15 119.830 0.300 . 1 . . . . 6 V N . 17143 1 23 . 1 1 10 10 SER H H 1 8.371 0.030 . 1 . . . . 7 S H . 17143 1 24 . 1 1 10 10 SER HA H 1 4.330 0.030 . 1 . . . . 7 S HA . 17143 1 25 . 1 1 10 10 SER C C 13 175.090 0.300 . 1 . . . . 7 S C . 17143 1 26 . 1 1 10 10 SER CA C 13 58.898 0.300 . 1 . . . . 7 S CA . 17143 1 27 . 1 1 10 10 SER CB C 13 63.849 0.300 . 1 . . . . 7 S CB . 17143 1 28 . 1 1 10 10 SER N N 15 118.640 0.300 . 1 . . . . 7 S N . 17143 1 29 . 1 1 11 11 SER H H 1 8.324 0.030 . 1 . . . . 8 S H . 17143 1 30 . 1 1 11 11 SER C C 13 175.110 0.300 . 1 . . . . 8 S C . 17143 1 31 . 1 1 11 11 SER N N 15 110.590 0.300 . 1 . . . . 8 S N . 17143 1 32 . 1 1 12 12 GLY C C 13 174.310 0.300 . 1 . . . . 9 G C . 17143 1 33 . 1 1 12 12 GLY CA C 13 45.465 0.300 . 1 . . . . 9 G CA . 17143 1 34 . 1 1 13 13 VAL H H 1 7.886 0.030 . 1 . . . . 10 V H . 17143 1 35 . 1 1 13 13 VAL HA H 1 4.050 0.030 . 1 . . . . 10 V HA . 17143 1 36 . 1 1 13 13 VAL C C 13 176.460 0.300 . 1 . . . . 10 V C . 17143 1 37 . 1 1 13 13 VAL CA C 13 62.483 0.300 . 1 . . . . 10 V CA . 17143 1 38 . 1 1 13 13 VAL CB C 13 32.506 0.300 . 1 . . . . 10 V CB . 17143 1 39 . 1 1 13 13 VAL N N 15 118.690 0.300 . 1 . . . . 10 V N . 17143 1 40 . 1 1 14 14 SER H H 1 8.312 0.030 . 1 . . . . 11 S H . 17143 1 41 . 1 1 14 14 SER C C 13 174.510 0.300 . 1 . . . . 11 S C . 17143 1 42 . 1 1 14 14 SER CA C 13 58.418 0.300 . 1 . . . . 11 S CA . 17143 1 43 . 1 1 14 14 SER CB C 13 63.790 0.300 . 1 . . . . 11 S CB . 17143 1 44 . 1 1 14 14 SER N N 15 118.460 0.300 . 1 . . . . 11 S N . 17143 1 45 . 1 1 16 16 CYS HA H 1 4.280 0.030 . 1 . . . . 13 C HA . 17143 1 46 . 1 1 16 16 CYS C C 13 174.450 0.300 . 1 . . . . 13 C C . 17143 1 47 . 1 1 16 16 CYS CA C 13 58.764 0.300 . 1 . . . . 13 C CA . 17143 1 48 . 1 1 16 16 CYS CB C 13 27.622 0.300 . 1 . . . . 13 C CB . 17143 1 49 . 1 1 17 17 TYR H H 1 8.131 0.030 . 1 . . . . 14 Y H . 17143 1 50 . 1 1 17 17 TYR HA H 1 4.520 0.030 . 1 . . . . 14 Y HA . 17143 1 51 . 1 1 17 17 TYR C C 13 176.780 0.300 . 1 . . . . 14 Y C . 17143 1 52 . 1 1 17 17 TYR CA C 13 56.692 0.300 . 1 . . . . 14 Y CA . 17143 1 53 . 1 1 17 17 TYR CB C 13 37.716 0.300 . 1 . . . . 14 Y CB . 17143 1 54 . 1 1 17 17 TYR N N 15 121.160 0.300 . 1 . . . . 14 Y N . 17143 1 55 . 1 1 18 18 VAL H H 1 7.387 0.030 . 1 . . . . 15 V H . 17143 1 56 . 1 1 18 18 VAL HA H 1 4.270 0.030 . 1 . . . . 15 V HA . 17143 1 57 . 1 1 18 18 VAL C C 13 176.420 0.300 . 1 . . . . 15 V C . 17143 1 58 . 1 1 18 18 VAL CA C 13 61.599 0.300 . 1 . . . . 15 V CA . 17143 1 59 . 1 1 18 18 VAL CB C 13 32.453 0.300 . 1 . . . . 15 V CB . 17143 1 60 . 1 1 18 18 VAL N N 15 113.530 0.300 . 1 . . . . 15 V N . 17143 1 61 . 1 1 19 19 PHE H H 1 7.272 0.030 . 1 . . . . 16 F H . 17143 1 62 . 1 1 19 19 PHE HA H 1 3.950 0.030 . 1 . . . . 16 F HA . 17143 1 63 . 1 1 19 19 PHE C C 13 177.950 0.300 . 1 . . . . 16 F C . 17143 1 64 . 1 1 19 19 PHE CA C 13 62.281 0.300 . 1 . . . . 16 F CA . 17143 1 65 . 1 1 19 19 PHE CB C 13 38.656 0.300 . 1 . . . . 16 F CB . 17143 1 66 . 1 1 19 19 PHE N N 15 121.120 0.300 . 1 . . . . 16 F N . 17143 1 67 . 1 1 20 20 LYS H H 1 8.575 0.030 . 1 . . . . 17 K H . 17143 1 68 . 1 1 20 20 LYS C C 13 180.800 0.300 . 1 . . . . 17 K C . 17143 1 69 . 1 1 20 20 LYS CA C 13 60.913 0.300 . 1 . . . . 17 K CA . 17143 1 70 . 1 1 20 20 LYS CB C 13 31.689 0.300 . 1 . . . . 17 K CB . 17143 1 71 . 1 1 20 20 LYS N N 15 119.160 0.300 . 1 . . . . 17 K N . 17143 1 72 . 1 1 21 21 SER H H 1 8.228 0.030 . 1 . . . . 18 S H . 17143 1 73 . 1 1 21 21 SER CA C 13 61.564 0.300 . 1 . . . . 18 S CA . 17143 1 74 . 1 1 21 21 SER N N 15 116.440 0.300 . 1 . . . . 18 S N . 17143 1 75 . 1 1 22 22 ARG HA H 1 4.120 0.030 . 1 . . . . 19 R HA . 17143 1 76 . 1 1 22 22 ARG C C 13 179.830 0.300 . 1 . . . . 19 R C . 17143 1 77 . 1 1 22 22 ARG CA C 13 59.280 0.300 . 1 . . . . 19 R CA . 17143 1 78 . 1 1 22 22 ARG CB C 13 30.686 0.300 . 1 . . . . 19 R CB . 17143 1 79 . 1 1 23 23 LEU H H 1 8.703 0.030 . 1 . . . . 20 L H . 17143 1 80 . 1 1 23 23 LEU HA H 1 4.210 0.030 . 1 . . . . 20 L HA . 17143 1 81 . 1 1 23 23 LEU C C 13 177.930 0.300 . 1 . . . . 20 L C . 17143 1 82 . 1 1 23 23 LEU CA C 13 57.755 0.300 . 1 . . . . 20 L CA . 17143 1 83 . 1 1 23 23 LEU CB C 13 41.442 0.300 . 1 . . . . 20 L CB . 17143 1 84 . 1 1 23 23 LEU N N 15 122.780 0.300 . 1 . . . . 20 L N . 17143 1 85 . 1 1 24 24 GLN H H 1 8.000 0.030 . 1 . . . . 21 Q H . 17143 1 86 . 1 1 24 24 GLN HA H 1 3.910 0.030 . 1 . . . . 21 Q HA . 17143 1 87 . 1 1 24 24 GLN C C 13 178.590 0.300 . 1 . . . . 21 Q C . 17143 1 88 . 1 1 24 24 GLN CA C 13 59.451 0.300 . 1 . . . . 21 Q CA . 17143 1 89 . 1 1 24 24 GLN CB C 13 27.965 0.300 . 1 . . . . 21 Q CB . 17143 1 90 . 1 1 24 24 GLN N N 15 120.270 0.300 . 1 . . . . 21 Q N . 17143 1 91 . 1 1 25 25 GLU H H 1 8.172 0.030 . 1 . . . . 22 E H . 17143 1 92 . 1 1 25 25 GLU HA H 1 3.970 0.030 . 1 . . . . 22 E HA . 17143 1 93 . 1 1 25 25 GLU C C 13 178.860 0.300 . 1 . . . . 22 E C . 17143 1 94 . 1 1 25 25 GLU CA C 13 59.546 0.300 . 1 . . . . 22 E CA . 17143 1 95 . 1 1 25 25 GLU CB C 13 29.386 0.300 . 1 . . . . 22 E CB . 17143 1 96 . 1 1 25 25 GLU N N 15 119.610 0.300 . 1 . . . . 22 E N . 17143 1 97 . 1 1 26 26 TYR H H 1 8.099 0.030 . 1 . . . . 23 Y H . 17143 1 98 . 1 1 26 26 TYR HA H 1 4.050 0.030 . 1 . . . . 23 Y HA . 17143 1 99 . 1 1 26 26 TYR C C 13 176.790 0.300 . 1 . . . . 23 Y C . 17143 1 100 . 1 1 26 26 TYR CA C 13 62.218 0.300 . 1 . . . . 23 Y CA . 17143 1 101 . 1 1 26 26 TYR CB C 13 38.382 0.300 . 1 . . . . 23 Y CB . 17143 1 102 . 1 1 26 26 TYR N N 15 122.630 0.300 . 1 . . . . 23 Y N . 17143 1 103 . 1 1 27 27 ALA H H 1 8.431 0.030 . 1 . . . . 24 A H . 17143 1 104 . 1 1 27 27 ALA HA H 1 3.920 0.030 . 1 . . . . 24 A HA . 17143 1 105 . 1 1 27 27 ALA C C 13 179.250 0.300 . 1 . . . . 24 A C . 17143 1 106 . 1 1 27 27 ALA CA C 13 55.582 0.300 . 1 . . . . 24 A CA . 17143 1 107 . 1 1 27 27 ALA CB C 13 17.599 0.300 . 1 . . . . 24 A CB . 17143 1 108 . 1 1 27 27 ALA N N 15 120.250 0.300 . 1 . . . . 24 A N . 17143 1 109 . 1 1 28 28 GLN H H 1 8.073 0.030 . 1 . . . . 25 Q H . 17143 1 110 . 1 1 28 28 GLN C C 13 179.760 0.300 . 1 . . . . 25 Q C . 17143 1 111 . 1 1 28 28 GLN CA C 13 58.782 0.300 . 1 . . . . 25 Q CA . 17143 1 112 . 1 1 28 28 GLN CB C 13 28.655 0.300 . 1 . . . . 25 Q CB . 17143 1 113 . 1 1 28 28 GLN N N 15 115.210 0.300 . 1 . . . . 25 Q N . 17143 1 114 . 1 1 29 29 LYS HA H 1 3.710 0.030 . 1 . . . . 26 K HA . 17143 1 115 . 1 1 29 29 LYS C C 13 177.970 0.300 . 1 . . . . 26 K C . 17143 1 116 . 1 1 29 29 LYS CA C 13 59.316 0.300 . 1 . . . . 26 K CA . 17143 1 117 . 1 1 29 29 LYS CB C 13 31.968 0.300 . 1 . . . . 26 K CB . 17143 1 118 . 1 1 30 30 TYR H H 1 7.542 0.030 . 1 . . . . 27 Y H . 17143 1 119 . 1 1 30 30 TYR HA H 1 4.180 0.030 . 1 . . . . 27 Y HA . 17143 1 120 . 1 1 30 30 TYR C C 13 173.330 0.300 . 1 . . . . 27 Y C . 17143 1 121 . 1 1 30 30 TYR CA C 13 58.900 0.300 . 1 . . . . 27 Y CA . 17143 1 122 . 1 1 30 30 TYR CB C 13 37.075 0.300 . 1 . . . . 27 Y CB . 17143 1 123 . 1 1 30 30 TYR N N 15 114.480 0.300 . 1 . . . . 27 Y N . 17143 1 124 . 1 1 31 31 LYS H H 1 7.596 0.030 . 1 . . . . 28 K H . 17143 1 125 . 1 1 31 31 LYS HA H 1 3.810 0.030 . 1 . . . . 28 K HA . 17143 1 126 . 1 1 31 31 LYS C C 13 175.750 0.300 . 1 . . . . 28 K C . 17143 1 127 . 1 1 31 31 LYS CA C 13 57.154 0.300 . 1 . . . . 28 K CA . 17143 1 128 . 1 1 31 31 LYS CB C 13 28.355 0.300 . 1 . . . . 28 K CB . 17143 1 129 . 1 1 31 31 LYS N N 15 116.640 0.300 . 1 . . . . 28 K N . 17143 1 130 . 1 1 32 32 LEU H H 1 8.794 0.030 . 1 . . . . 29 L H . 17143 1 131 . 1 1 32 32 LEU C C 13 174.430 0.300 . 1 . . . . 29 L C . 17143 1 132 . 1 1 32 32 LEU CA C 13 52.172 0.300 . 1 . . . . 29 L CA . 17143 1 133 . 1 1 32 32 LEU CB C 13 42.165 0.300 . 1 . . . . 29 L CB . 17143 1 134 . 1 1 32 32 LEU N N 15 119.670 0.300 . 1 . . . . 29 L N . 17143 1 135 . 1 1 35 35 PRO HA H 1 4.340 0.030 . 1 . . . . 32 P HA . 17143 1 136 . 1 1 35 35 PRO C C 13 175.300 0.300 . 1 . . . . 32 P C . 17143 1 137 . 1 1 35 35 PRO CA C 13 63.464 0.300 . 1 . . . . 32 P CA . 17143 1 138 . 1 1 35 35 PRO CB C 13 32.689 0.300 . 1 . . . . 32 P CB . 17143 1 139 . 1 1 36 36 VAL H H 1 7.511 0.030 . 1 . . . . 33 V H . 17143 1 140 . 1 1 36 36 VAL HA H 1 4.220 0.030 . 1 . . . . 33 V HA . 17143 1 141 . 1 1 36 36 VAL C C 13 173.790 0.300 . 1 . . . . 33 V C . 17143 1 142 . 1 1 36 36 VAL CA C 13 61.224 0.300 . 1 . . . . 33 V CA . 17143 1 143 . 1 1 36 36 VAL CB C 13 35.224 0.300 . 1 . . . . 33 V CB . 17143 1 144 . 1 1 36 36 VAL N N 15 122.150 0.300 . 1 . . . . 33 V N . 17143 1 145 . 1 1 37 37 TYR H H 1 8.762 0.030 . 1 . . . . 34 Y H . 17143 1 146 . 1 1 37 37 TYR HA H 1 5.020 0.030 . 1 . . . . 34 Y HA . 17143 1 147 . 1 1 37 37 TYR C C 13 176.470 0.300 . 1 . . . . 34 Y C . 17143 1 148 . 1 1 37 37 TYR CA C 13 57.611 0.300 . 1 . . . . 34 Y CA . 17143 1 149 . 1 1 37 37 TYR CB C 13 40.297 0.300 . 1 . . . . 34 Y CB . 17143 1 150 . 1 1 37 37 TYR N N 15 123.800 0.300 . 1 . . . . 34 Y N . 17143 1 151 . 1 1 38 38 GLU H H 1 9.362 0.030 . 1 . . . . 35 E H . 17143 1 152 . 1 1 38 38 GLU HA H 1 4.610 0.030 . 1 . . . . 35 E HA . 17143 1 153 . 1 1 38 38 GLU C C 13 176.250 0.300 . 1 . . . . 35 E C . 17143 1 154 . 1 1 38 38 GLU CA C 13 54.704 0.300 . 1 . . . . 35 E CA . 17143 1 155 . 1 1 38 38 GLU CB C 13 32.997 0.300 . 1 . . . . 35 E CB . 17143 1 156 . 1 1 38 38 GLU N N 15 123.010 0.300 . 1 . . . . 35 E N . 17143 1 157 . 1 1 39 39 ILE H H 1 8.873 0.030 . 1 . . . . 36 I H . 17143 1 158 . 1 1 39 39 ILE HA H 1 5.000 0.030 . 1 . . . . 36 I HA . 17143 1 159 . 1 1 39 39 ILE C C 13 174.980 0.300 . 1 . . . . 36 I C . 17143 1 160 . 1 1 39 39 ILE CA C 13 58.454 0.300 . 1 . . . . 36 I CA . 17143 1 161 . 1 1 39 39 ILE CB C 13 40.867 0.300 . 1 . . . . 36 I CB . 17143 1 162 . 1 1 39 39 ILE N N 15 123.360 0.300 . 1 . . . . 36 I N . 17143 1 163 . 1 1 40 40 VAL H H 1 8.820 0.030 . 1 . . . . 37 V H . 17143 1 164 . 1 1 40 40 VAL HA H 1 4.170 0.030 . 1 . . . . 37 V HA . 17143 1 165 . 1 1 40 40 VAL C C 13 174.200 0.300 . 1 . . . . 37 V C . 17143 1 166 . 1 1 40 40 VAL CA C 13 61.924 0.300 . 1 . . . . 37 V CA . 17143 1 167 . 1 1 40 40 VAL CB C 13 34.438 0.300 . 1 . . . . 37 V CB . 17143 1 168 . 1 1 40 40 VAL N N 15 127.130 0.300 . 1 . . . . 37 V N . 17143 1 169 . 1 1 41 41 LYS H H 1 8.447 0.030 . 1 . . . . 38 K H . 17143 1 170 . 1 1 41 41 LYS HA H 1 4.730 0.030 . 1 . . . . 38 K HA . 17143 1 171 . 1 1 41 41 LYS C C 13 175.550 0.300 . 1 . . . . 38 K C . 17143 1 172 . 1 1 41 41 LYS CA C 13 54.566 0.300 . 1 . . . . 38 K CA . 17143 1 173 . 1 1 41 41 LYS CB C 13 34.666 0.300 . 1 . . . . 38 K CB . 17143 1 174 . 1 1 41 41 LYS N N 15 127.300 0.300 . 1 . . . . 38 K N . 17143 1 175 . 1 1 42 42 GLU H H 1 8.658 0.030 . 1 . . . . 39 E H . 17143 1 176 . 1 1 42 42 GLU HA H 1 4.490 0.030 . 1 . . . . 39 E HA . 17143 1 177 . 1 1 42 42 GLU C C 13 175.170 0.300 . 1 . . . . 39 E C . 17143 1 178 . 1 1 42 42 GLU CA C 13 55.056 0.300 . 1 . . . . 39 E CA . 17143 1 179 . 1 1 42 42 GLU CB C 13 33.337 0.300 . 1 . . . . 39 E CB . 17143 1 180 . 1 1 42 42 GLU N N 15 123.990 0.300 . 1 . . . . 39 E N . 17143 1 181 . 1 1 43 43 GLY H H 1 8.306 0.030 . 1 . . . . 40 G H . 17143 1 182 . 1 1 43 43 GLY C C 13 175.150 0.300 . 1 . . . . 40 G C . 17143 1 183 . 1 1 43 43 GLY CA C 13 44.114 0.300 . 1 . . . . 40 G CA . 17143 1 184 . 1 1 43 43 GLY N N 15 108.470 0.300 . 1 . . . . 40 G N . 17143 1 185 . 1 1 46 46 HIS HA H 1 4.550 0.030 . 1 . . . . 43 H HA . 17143 1 186 . 1 1 46 46 HIS C C 13 175.290 0.300 . 1 . . . . 43 H C . 17143 1 187 . 1 1 46 46 HIS CA C 13 56.642 0.300 . 1 . . . . 43 H CA . 17143 1 188 . 1 1 46 46 HIS CB C 13 30.074 0.300 . 1 . . . . 43 H CB . 17143 1 189 . 1 1 47 47 LYS H H 1 7.477 0.030 . 1 . . . . 44 K H . 17143 1 190 . 1 1 47 47 LYS HA H 1 4.270 0.030 . 1 . . . . 44 K HA . 17143 1 191 . 1 1 47 47 LYS C C 13 173.780 0.300 . 1 . . . . 44 K C . 17143 1 192 . 1 1 47 47 LYS CA C 13 55.644 0.300 . 1 . . . . 44 K CA . 17143 1 193 . 1 1 47 47 LYS CB C 13 32.260 0.300 . 1 . . . . 44 K CB . 17143 1 194 . 1 1 47 47 LYS N N 15 123.940 0.300 . 1 . . . . 44 K N . 17143 1 195 . 1 1 48 48 SER H H 1 8.013 0.030 . 1 . . . . 45 S H . 17143 1 196 . 1 1 48 48 SER HA H 1 4.260 0.030 . 1 . . . . 45 S HA . 17143 1 197 . 1 1 48 48 SER C C 13 172.790 0.300 . 1 . . . . 45 S C . 17143 1 198 . 1 1 48 48 SER CA C 13 59.171 0.300 . 1 . . . . 45 S CA . 17143 1 199 . 1 1 48 48 SER CB C 13 64.368 0.300 . 1 . . . . 45 S CB . 17143 1 200 . 1 1 48 48 SER N N 15 117.640 0.300 . 1 . . . . 45 S N . 17143 1 201 . 1 1 49 49 LEU H H 1 8.301 0.030 . 1 . . . . 46 L H . 17143 1 202 . 1 1 49 49 LEU HA H 1 4.890 0.030 . 1 . . . . 46 L HA . 17143 1 203 . 1 1 49 49 LEU C C 13 176.900 0.300 . 1 . . . . 46 L C . 17143 1 204 . 1 1 49 49 LEU CA C 13 53.100 0.300 . 1 . . . . 46 L CA . 17143 1 205 . 1 1 49 49 LEU CB C 13 44.854 0.300 . 1 . . . . 46 L CB . 17143 1 206 . 1 1 49 49 LEU N N 15 121.190 0.300 . 1 . . . . 46 L N . 17143 1 207 . 1 1 50 50 PHE H H 1 9.342 0.030 . 1 . . . . 47 F H . 17143 1 208 . 1 1 50 50 PHE HA H 1 5.130 0.030 . 1 . . . . 47 F HA . 17143 1 209 . 1 1 50 50 PHE C C 13 174.390 0.300 . 1 . . . . 47 F C . 17143 1 210 . 1 1 50 50 PHE CA C 13 57.950 0.300 . 1 . . . . 47 F CA . 17143 1 211 . 1 1 50 50 PHE CB C 13 43.642 0.300 . 1 . . . . 47 F CB . 17143 1 212 . 1 1 50 50 PHE N N 15 118.030 0.300 . 1 . . . . 47 F N . 17143 1 213 . 1 1 51 51 GLN H H 1 8.547 0.030 . 1 . . . . 48 Q H . 17143 1 214 . 1 1 51 51 GLN HA H 1 4.510 0.030 . 1 . . . . 48 Q HA . 17143 1 215 . 1 1 51 51 GLN C C 13 173.660 0.300 . 1 . . . . 48 Q C . 17143 1 216 . 1 1 51 51 GLN CA C 13 55.049 0.300 . 1 . . . . 48 Q CA . 17143 1 217 . 1 1 51 51 GLN CB C 13 32.317 0.300 . 1 . . . . 48 Q CB . 17143 1 218 . 1 1 51 51 GLN N N 15 118.130 0.300 . 1 . . . . 48 Q N . 17143 1 219 . 1 1 52 52 SER H H 1 9.097 0.030 . 1 . . . . 49 S H . 17143 1 220 . 1 1 52 52 SER HA H 1 5.640 0.030 . 1 . . . . 49 S HA . 17143 1 221 . 1 1 52 52 SER C C 13 172.990 0.300 . 1 . . . . 49 S C . 17143 1 222 . 1 1 52 52 SER CA C 13 55.574 0.300 . 1 . . . . 49 S CA . 17143 1 223 . 1 1 52 52 SER CB C 13 66.214 0.300 . 1 . . . . 49 S CB . 17143 1 224 . 1 1 52 52 SER N N 15 117.520 0.300 . 1 . . . . 49 S N . 17143 1 225 . 1 1 53 53 THR H H 1 8.477 0.030 . 1 . . . . 50 T H . 17143 1 226 . 1 1 53 53 THR HA H 1 5.210 0.030 . 1 . . . . 50 T HA . 17143 1 227 . 1 1 53 53 THR C C 13 172.790 0.300 . 1 . . . . 50 T C . 17143 1 228 . 1 1 53 53 THR CA C 13 61.510 0.300 . 1 . . . . 50 T CA . 17143 1 229 . 1 1 53 53 THR CB C 13 72.716 0.300 . 1 . . . . 50 T CB . 17143 1 230 . 1 1 53 53 THR N N 15 124.240 0.300 . 1 . . . . 50 T N . 17143 1 231 . 1 1 54 54 VAL H H 1 9.260 0.030 . 1 . . . . 51 V H . 17143 1 232 . 1 1 54 54 VAL HA H 1 4.980 0.030 . 1 . . . . 51 V HA . 17143 1 233 . 1 1 54 54 VAL C C 13 172.310 0.300 . 1 . . . . 51 V C . 17143 1 234 . 1 1 54 54 VAL CA C 13 57.702 0.300 . 1 . . . . 51 V CA . 17143 1 235 . 1 1 54 54 VAL CB C 13 34.626 0.300 . 1 . . . . 51 V CB . 17143 1 236 . 1 1 54 54 VAL N N 15 125.340 0.300 . 1 . . . . 51 V N . 17143 1 237 . 1 1 55 55 ILE H H 1 8.908 0.030 . 1 . . . . 52 I H . 17143 1 238 . 1 1 55 55 ILE HA H 1 4.810 0.030 . 1 . . . . 52 I HA . 17143 1 239 . 1 1 55 55 ILE C C 13 176.620 0.300 . 1 . . . . 52 I C . 17143 1 240 . 1 1 55 55 ILE CA C 13 60.379 0.300 . 1 . . . . 52 I CA . 17143 1 241 . 1 1 55 55 ILE CB C 13 39.154 0.300 . 1 . . . . 52 I CB . 17143 1 242 . 1 1 55 55 ILE N N 15 127.680 0.300 . 1 . . . . 52 I N . 17143 1 243 . 1 1 56 56 LEU H H 1 8.955 0.030 . 1 . . . . 53 L H . 17143 1 244 . 1 1 56 56 LEU HA H 1 4.820 0.030 . 1 . . . . 53 L HA . 17143 1 245 . 1 1 56 56 LEU C C 13 176.590 0.300 . 1 . . . . 53 L C . 17143 1 246 . 1 1 56 56 LEU CA C 13 53.133 0.300 . 1 . . . . 53 L CA . 17143 1 247 . 1 1 56 56 LEU CB C 13 45.131 0.300 . 1 . . . . 53 L CB . 17143 1 248 . 1 1 56 56 LEU N N 15 129.100 0.300 . 1 . . . . 53 L N . 17143 1 249 . 1 1 57 57 ASP H H 1 9.930 0.030 . 1 . . . . 54 D H . 17143 1 250 . 1 1 57 57 ASP HA H 1 4.210 0.030 . 1 . . . . 54 D HA . 17143 1 251 . 1 1 57 57 ASP C C 13 175.280 0.300 . 1 . . . . 54 D C . 17143 1 252 . 1 1 57 57 ASP CA C 13 54.660 0.300 . 1 . . . . 54 D CA . 17143 1 253 . 1 1 57 57 ASP CB C 13 41.334 0.300 . 1 . . . . 54 D CB . 17143 1 254 . 1 1 57 57 ASP N N 15 131.490 0.300 . 1 . . . . 54 D N . 17143 1 255 . 1 1 58 58 GLY H H 1 8.120 0.030 . 1 . . . . 55 G H . 17143 1 256 . 1 1 58 58 GLY C C 13 174.350 0.300 . 1 . . . . 55 G C . 17143 1 257 . 1 1 58 58 GLY CA C 13 45.368 0.300 . 1 . . . . 55 G CA . 17143 1 258 . 1 1 58 58 GLY N N 15 101.610 0.300 . 1 . . . . 55 G N . 17143 1 259 . 1 1 59 59 VAL H H 1 7.628 0.030 . 1 . . . . 56 V H . 17143 1 260 . 1 1 59 59 VAL HA H 1 3.760 0.030 . 1 . . . . 56 V HA . 17143 1 261 . 1 1 59 59 VAL C C 13 173.420 0.300 . 1 . . . . 56 V C . 17143 1 262 . 1 1 59 59 VAL CA C 13 61.934 0.300 . 1 . . . . 56 V CA . 17143 1 263 . 1 1 59 59 VAL CB C 13 32.797 0.300 . 1 . . . . 56 V CB . 17143 1 264 . 1 1 59 59 VAL N N 15 123.920 0.300 . 1 . . . . 56 V N . 17143 1 265 . 1 1 60 60 ARG H H 1 7.789 0.030 . 1 . . . . 57 R H . 17143 1 266 . 1 1 60 60 ARG HA H 1 4.420 0.030 . 1 . . . . 57 R HA . 17143 1 267 . 1 1 60 60 ARG C C 13 175.650 0.300 . 1 . . . . 57 R C . 17143 1 268 . 1 1 60 60 ARG CA C 13 55.274 0.300 . 1 . . . . 57 R CA . 17143 1 269 . 1 1 60 60 ARG CB C 13 32.035 0.300 . 1 . . . . 57 R CB . 17143 1 270 . 1 1 60 60 ARG N N 15 123.800 0.300 . 1 . . . . 57 R N . 17143 1 271 . 1 1 61 61 TYR H H 1 9.091 0.030 . 1 . . . . 58 Y H . 17143 1 272 . 1 1 61 61 TYR HA H 1 4.580 0.030 . 1 . . . . 58 Y HA . 17143 1 273 . 1 1 61 61 TYR C C 13 174.480 0.300 . 1 . . . . 58 Y C . 17143 1 274 . 1 1 61 61 TYR CA C 13 56.721 0.300 . 1 . . . . 58 Y CA . 17143 1 275 . 1 1 61 61 TYR CB C 13 39.282 0.300 . 1 . . . . 58 Y CB . 17143 1 276 . 1 1 61 61 TYR N N 15 122.690 0.300 . 1 . . . . 58 Y N . 17143 1 277 . 1 1 62 62 ASN H H 1 8.902 0.030 . 1 . . . . 59 N H . 17143 1 278 . 1 1 62 62 ASN HA H 1 5.240 0.030 . 1 . . . . 59 N HA . 17143 1 279 . 1 1 62 62 ASN C C 13 175.380 0.300 . 1 . . . . 59 N C . 17143 1 280 . 1 1 62 62 ASN CA C 13 52.689 0.300 . 1 . . . . 59 N CA . 17143 1 281 . 1 1 62 62 ASN CB C 13 40.881 0.300 . 1 . . . . 59 N CB . 17143 1 282 . 1 1 62 62 ASN N N 15 121.250 0.300 . 1 . . . . 59 N N . 17143 1 283 . 1 1 63 63 SER H H 1 9.404 0.030 . 1 . . . . 60 S H . 17143 1 284 . 1 1 63 63 SER C C 13 175.310 0.300 . 1 . . . . 60 S C . 17143 1 285 . 1 1 63 63 SER CA C 13 58.565 0.300 . 1 . . . . 60 S CA . 17143 1 286 . 1 1 63 63 SER CB C 13 67.135 0.300 . 1 . . . . 60 S CB . 17143 1 287 . 1 1 63 63 SER N N 15 114.980 0.300 . 1 . . . . 60 S N . 17143 1 288 . 1 1 65 65 PRO HA H 1 4.630 0.030 . 1 . . . . 62 P HA . 17143 1 289 . 1 1 65 65 PRO C C 13 178.490 0.300 . 1 . . . . 62 P C . 17143 1 290 . 1 1 65 65 PRO CA C 13 62.380 0.300 . 1 . . . . 62 P CA . 17143 1 291 . 1 1 65 65 PRO CB C 13 32.051 0.300 . 1 . . . . 62 P CB . 17143 1 292 . 1 1 66 66 GLY H H 1 8.691 0.030 . 1 . . . . 63 G H . 17143 1 293 . 1 1 66 66 GLY C C 13 174.800 0.300 . 1 . . . . 63 G C . 17143 1 294 . 1 1 66 66 GLY CA C 13 47.183 0.300 . 1 . . . . 63 G CA . 17143 1 295 . 1 1 66 66 GLY N N 15 104.740 0.300 . 1 . . . . 63 G N . 17143 1 296 . 1 1 67 67 PHE H H 1 8.383 0.030 . 1 . . . . 64 F H . 17143 1 297 . 1 1 67 67 PHE HA H 1 4.190 0.030 . 1 . . . . 64 F HA . 17143 1 298 . 1 1 67 67 PHE C C 13 176.860 0.300 . 1 . . . . 64 F C . 17143 1 299 . 1 1 67 67 PHE CA C 13 59.966 0.300 . 1 . . . . 64 F CA . 17143 1 300 . 1 1 67 67 PHE CB C 13 40.718 0.300 . 1 . . . . 64 F CB . 17143 1 301 . 1 1 67 67 PHE N N 15 117.500 0.300 . 1 . . . . 64 F N . 17143 1 302 . 1 1 68 68 PHE H H 1 9.202 0.030 . 1 . . . . 65 F H . 17143 1 303 . 1 1 68 68 PHE HA H 1 5.060 0.030 . 1 . . . . 65 F HA . 17143 1 304 . 1 1 68 68 PHE C C 13 175.760 0.300 . 1 . . . . 65 F C . 17143 1 305 . 1 1 68 68 PHE CA C 13 57.773 0.300 . 1 . . . . 65 F CA . 17143 1 306 . 1 1 68 68 PHE CB C 13 39.239 0.300 . 1 . . . . 65 F CB . 17143 1 307 . 1 1 68 68 PHE N N 15 117.050 0.300 . 1 . . . . 65 F N . 17143 1 308 . 1 1 69 69 ASN H H 1 7.517 0.030 . 1 . . . . 66 N H . 17143 1 309 . 1 1 69 69 ASN HA H 1 4.210 0.030 . 1 . . . . 66 N HA . 17143 1 310 . 1 1 69 69 ASN C C 13 173.410 0.300 . 1 . . . . 66 N C . 17143 1 311 . 1 1 69 69 ASN CA C 13 52.160 0.300 . 1 . . . . 66 N CA . 17143 1 312 . 1 1 69 69 ASN CB C 13 41.307 0.300 . 1 . . . . 66 N CB . 17143 1 313 . 1 1 69 69 ASN N N 15 113.210 0.300 . 1 . . . . 66 N N . 17143 1 314 . 1 1 70 70 ARG H H 1 8.056 0.030 . 1 . . . . 67 R H . 17143 1 315 . 1 1 70 70 ARG HA H 1 3.100 0.030 . 1 . . . . 67 R HA . 17143 1 316 . 1 1 70 70 ARG C C 13 176.900 0.300 . 1 . . . . 67 R C . 17143 1 317 . 1 1 70 70 ARG CA C 13 59.300 0.300 . 1 . . . . 67 R CA . 17143 1 318 . 1 1 70 70 ARG CB C 13 30.046 0.300 . 1 . . . . 67 R CB . 17143 1 319 . 1 1 70 70 ARG N N 15 120.880 0.300 . 1 . . . . 67 R N . 17143 1 320 . 1 1 71 71 LYS H H 1 7.906 0.030 . 1 . . . . 68 K H . 17143 1 321 . 1 1 71 71 LYS HA H 1 3.660 0.030 . 1 . . . . 68 K HA . 17143 1 322 . 1 1 71 71 LYS C C 13 178.790 0.300 . 1 . . . . 68 K C . 17143 1 323 . 1 1 71 71 LYS CA C 13 59.633 0.300 . 1 . . . . 68 K CA . 17143 1 324 . 1 1 71 71 LYS CB C 13 31.818 0.300 . 1 . . . . 68 K CB . 17143 1 325 . 1 1 71 71 LYS N N 15 118.800 0.300 . 1 . . . . 68 K N . 17143 1 326 . 1 1 72 72 ALA H H 1 7.934 0.030 . 1 . . . . 69 A H . 17143 1 327 . 1 1 72 72 ALA HA H 1 3.670 0.030 . 1 . . . . 69 A HA . 17143 1 328 . 1 1 72 72 ALA C C 13 179.490 0.300 . 1 . . . . 69 A C . 17143 1 329 . 1 1 72 72 ALA CA C 13 54.490 0.300 . 1 . . . . 69 A CA . 17143 1 330 . 1 1 72 72 ALA CB C 13 18.723 0.300 . 1 . . . . 69 A CB . 17143 1 331 . 1 1 72 72 ALA N N 15 119.940 0.300 . 1 . . . . 69 A N . 17143 1 332 . 1 1 73 73 ALA H H 1 6.740 0.030 . 1 . . . . 70 A H . 17143 1 333 . 1 1 73 73 ALA HA H 1 3.130 0.030 . 1 . . . . 70 A HA . 17143 1 334 . 1 1 73 73 ALA C C 13 179.120 0.300 . 1 . . . . 70 A C . 17143 1 335 . 1 1 73 73 ALA CA C 13 54.895 0.300 . 1 . . . . 70 A CA . 17143 1 336 . 1 1 73 73 ALA CB C 13 17.724 0.300 . 1 . . . . 70 A CB . 17143 1 337 . 1 1 73 73 ALA N N 15 119.600 0.300 . 1 . . . . 70 A N . 17143 1 338 . 1 1 74 74 GLU H H 1 7.995 0.030 . 1 . . . . 71 E H . 17143 1 339 . 1 1 74 74 GLU HA H 1 3.910 0.030 . 1 . . . . 71 E HA . 17143 1 340 . 1 1 74 74 GLU C C 13 178.950 0.300 . 1 . . . . 71 E C . 17143 1 341 . 1 1 74 74 GLU CA C 13 59.486 0.300 . 1 . . . . 71 E CA . 17143 1 342 . 1 1 74 74 GLU CB C 13 30.319 0.300 . 1 . . . . 71 E CB . 17143 1 343 . 1 1 74 74 GLU N N 15 118.060 0.300 . 1 . . . . 71 E N . 17143 1 344 . 1 1 75 75 GLN H H 1 7.800 0.030 . 1 . . . . 72 Q H . 17143 1 345 . 1 1 75 75 GLN HA H 1 3.910 0.030 . 1 . . . . 72 Q HA . 17143 1 346 . 1 1 75 75 GLN C C 13 177.830 0.300 . 1 . . . . 72 Q C . 17143 1 347 . 1 1 75 75 GLN CA C 13 59.136 0.300 . 1 . . . . 72 Q CA . 17143 1 348 . 1 1 75 75 GLN CB C 13 27.078 0.300 . 1 . . . . 72 Q CB . 17143 1 349 . 1 1 75 75 GLN N N 15 114.750 0.300 . 1 . . . . 72 Q N . 17143 1 350 . 1 1 76 76 SER H H 1 7.167 0.030 . 1 . . . . 73 S H . 17143 1 351 . 1 1 76 76 SER HA H 1 4.210 0.030 . 1 . . . . 73 S HA . 17143 1 352 . 1 1 76 76 SER C C 13 176.230 0.300 . 1 . . . . 73 S C . 17143 1 353 . 1 1 76 76 SER CA C 13 60.151 0.300 . 1 . . . . 73 S CA . 17143 1 354 . 1 1 76 76 SER CB C 13 64.234 0.300 . 1 . . . . 73 S CB . 17143 1 355 . 1 1 76 76 SER N N 15 111.760 0.300 . 1 . . . . 73 S N . 17143 1 356 . 1 1 77 77 ALA H H 1 8.041 0.030 . 1 . . . . 74 A H . 17143 1 357 . 1 1 77 77 ALA C C 13 178.310 0.300 . 1 . . . . 74 A C . 17143 1 358 . 1 1 77 77 ALA CA C 13 60.147 0.300 . 1 . . . . 74 A CA . 17143 1 359 . 1 1 77 77 ALA CB C 13 17.546 0.300 . 1 . . . . 74 A CB . 17143 1 360 . 1 1 77 77 ALA N N 15 121.780 0.300 . 1 . . . . 74 A N . 17143 1 361 . 1 1 79 79 GLU HA H 1 3.160 0.030 . 1 . . . . 76 E HA . 17143 1 362 . 1 1 79 79 GLU C C 13 179.100 0.300 . 1 . . . . 76 E C . 17143 1 363 . 1 1 79 79 GLU CA C 13 60.001 0.300 . 1 . . . . 76 E CA . 17143 1 364 . 1 1 79 79 GLU CB C 13 28.808 0.300 . 1 . . . . 76 E CB . 17143 1 365 . 1 1 80 80 VAL H H 1 8.219 0.030 . 1 . . . . 77 V H . 17143 1 366 . 1 1 80 80 VAL HA H 1 3.230 0.030 . 1 . . . . 77 V HA . 17143 1 367 . 1 1 80 80 VAL C C 13 178.220 0.300 . 1 . . . . 77 V C . 17143 1 368 . 1 1 80 80 VAL CA C 13 67.113 0.300 . 1 . . . . 77 V CA . 17143 1 369 . 1 1 80 80 VAL CB C 13 31.537 0.300 . 1 . . . . 77 V CB . 17143 1 370 . 1 1 80 80 VAL N N 15 120.900 0.300 . 1 . . . . 77 V N . 17143 1 371 . 1 1 81 81 ALA H H 1 7.939 0.030 . 1 . . . . 78 A H . 17143 1 372 . 1 1 81 81 ALA HA H 1 2.750 0.030 . 1 . . . . 78 A HA . 17143 1 373 . 1 1 81 81 ALA C C 13 178.970 0.300 . 1 . . . . 78 A C . 17143 1 374 . 1 1 81 81 ALA CA C 13 55.178 0.300 . 1 . . . . 78 A CA . 17143 1 375 . 1 1 81 81 ALA CB C 13 18.280 0.300 . 1 . . . . 78 A CB . 17143 1 376 . 1 1 81 81 ALA N N 15 121.780 0.300 . 1 . . . . 78 A N . 17143 1 377 . 1 1 82 82 LEU H H 1 8.209 0.030 . 1 . . . . 79 L H . 17143 1 378 . 1 1 82 82 LEU HA H 1 3.410 0.030 . 1 . . . . 79 L HA . 17143 1 379 . 1 1 82 82 LEU C C 13 179.810 0.300 . 1 . . . . 79 L C . 17143 1 380 . 1 1 82 82 LEU CA C 13 58.056 0.300 . 1 . . . . 79 L CA . 17143 1 381 . 1 1 82 82 LEU CB C 13 41.977 0.300 . 1 . . . . 79 L CB . 17143 1 382 . 1 1 82 82 LEU N N 15 115.590 0.300 . 1 . . . . 79 L N . 17143 1 383 . 1 1 83 83 ARG H H 1 7.907 0.030 . 1 . . . . 80 R H . 17143 1 384 . 1 1 83 83 ARG HA H 1 3.890 0.030 . 1 . . . . 80 R HA . 17143 1 385 . 1 1 83 83 ARG C C 13 179.360 0.300 . 1 . . . . 80 R C . 17143 1 386 . 1 1 83 83 ARG CA C 13 59.392 0.300 . 1 . . . . 80 R CA . 17143 1 387 . 1 1 83 83 ARG CB C 13 30.047 0.300 . 1 . . . . 80 R CB . 17143 1 388 . 1 1 83 83 ARG N N 15 120.280 0.300 . 1 . . . . 80 R N . 17143 1 389 . 1 1 84 84 GLU H H 1 8.119 0.030 . 1 . . . . 81 E H . 17143 1 390 . 1 1 84 84 GLU HA H 1 3.980 0.030 . 1 . . . . 81 E HA . 17143 1 391 . 1 1 84 84 GLU C C 13 180.320 0.300 . 1 . . . . 81 E C . 17143 1 392 . 1 1 84 84 GLU CA C 13 58.715 0.300 . 1 . . . . 81 E CA . 17143 1 393 . 1 1 84 84 GLU CB C 13 29.468 0.300 . 1 . . . . 81 E CB . 17143 1 394 . 1 1 84 84 GLU N N 15 119.350 0.300 . 1 . . . . 81 E N . 17143 1 395 . 1 1 85 85 LEU H H 1 8.621 0.030 . 1 . . . . 82 L H . 17143 1 396 . 1 1 85 85 LEU HA H 1 3.890 0.030 . 1 . . . . 82 L HA . 17143 1 397 . 1 1 85 85 LEU C C 13 179.470 0.300 . 1 . . . . 82 L C . 17143 1 398 . 1 1 85 85 LEU CA C 13 57.338 0.300 . 1 . . . . 82 L CA . 17143 1 399 . 1 1 85 85 LEU CB C 13 41.733 0.300 . 1 . . . . 82 L CB . 17143 1 400 . 1 1 85 85 LEU N N 15 121.600 0.300 . 1 . . . . 82 L N . 17143 1 401 . 1 1 86 86 ALA H H 1 7.595 0.030 . 1 . . . . 83 A H . 17143 1 402 . 1 1 86 86 ALA HA H 1 4.120 0.030 . 1 . . . . 83 A HA . 17143 1 403 . 1 1 86 86 ALA C C 13 179.080 0.300 . 1 . . . . 83 A C . 17143 1 404 . 1 1 86 86 ALA CA C 13 53.799 0.300 . 1 . . . . 83 A CA . 17143 1 405 . 1 1 86 86 ALA CB C 13 18.238 0.300 . 1 . . . . 83 A CB . 17143 1 406 . 1 1 86 86 ALA N N 15 120.870 0.300 . 1 . . . . 83 A N . 17143 1 407 . 1 1 87 87 LYS H H 1 7.552 0.030 . 1 . . . . 84 K H . 17143 1 408 . 1 1 87 87 LYS HA H 1 4.100 0.030 . 1 . . . . 84 K HA . 17143 1 409 . 1 1 87 87 LYS C C 13 177.880 0.300 . 1 . . . . 84 K C . 17143 1 410 . 1 1 87 87 LYS CA C 13 58.007 0.300 . 1 . . . . 84 K CA . 17143 1 411 . 1 1 87 87 LYS CB C 13 32.527 0.300 . 1 . . . . 84 K CB . 17143 1 412 . 1 1 87 87 LYS N N 15 117.850 0.300 . 1 . . . . 84 K N . 17143 1 413 . 1 1 88 88 SER H H 1 7.958 0.030 . 1 . . . . 85 S H . 17143 1 414 . 1 1 88 88 SER HA H 1 4.360 0.030 . 1 . . . . 85 S HA . 17143 1 415 . 1 1 88 88 SER C C 13 175.420 0.300 . 1 . . . . 85 S C . 17143 1 416 . 1 1 88 88 SER CA C 13 59.350 0.300 . 1 . . . . 85 S CA . 17143 1 417 . 1 1 88 88 SER CB C 13 63.693 0.300 . 1 . . . . 85 S CB . 17143 1 418 . 1 1 88 88 SER N N 15 114.140 0.300 . 1 . . . . 85 S N . 17143 1 419 . 1 1 89 89 SER H H 1 8.095 0.030 . 1 . . . . 86 S H . 17143 1 420 . 1 1 89 89 SER C C 13 178.900 0.300 . 1 . . . . 86 S C . 17143 1 421 . 1 1 89 89 SER CA C 13 59.274 0.300 . 1 . . . . 86 S CA . 17143 1 422 . 1 1 89 89 SER CB C 13 63.719 0.300 . 1 . . . . 86 S CB . 17143 1 423 . 1 1 89 89 SER N N 15 117.360 0.300 . 1 . . . . 86 S N . 17143 1 424 . 1 1 90 90 GLU HA H 1 4.160 0.030 . 1 . . . . 87 E HA . 17143 1 425 . 1 1 90 90 GLU C C 13 177.180 0.300 . 1 . . . . 87 E C . 17143 1 426 . 1 1 90 90 GLU CA C 13 57.316 0.300 . 1 . . . . 87 E CA . 17143 1 427 . 1 1 90 90 GLU CB C 13 29.793 0.300 . 1 . . . . 87 E CB . 17143 1 428 . 1 1 91 91 LEU H H 1 8.058 0.030 . 1 . . . . 88 L H . 17143 1 429 . 1 1 91 91 LEU HA H 1 4.250 0.030 . 1 . . . . 88 L HA . 17143 1 430 . 1 1 91 91 LEU C C 13 177.910 0.300 . 1 . . . . 88 L C . 17143 1 431 . 1 1 91 91 LEU CA C 13 55.725 0.300 . 1 . . . . 88 L CA . 17143 1 432 . 1 1 91 91 LEU CB C 13 42.155 0.300 . 1 . . . . 88 L CB . 17143 1 433 . 1 1 91 91 LEU N N 15 121.560 0.300 . 1 . . . . 88 L N . 17143 1 434 . 1 1 92 92 SER H H 1 8.122 0.030 . 1 . . . . 89 S H . 17143 1 435 . 1 1 92 92 SER HA H 1 4.320 0.030 . 1 . . . . 89 S HA . 17143 1 436 . 1 1 92 92 SER C C 13 174.800 0.300 . 1 . . . . 89 S C . 17143 1 437 . 1 1 92 92 SER CA C 13 58.910 0.300 . 1 . . . . 89 S CA . 17143 1 438 . 1 1 92 92 SER CB C 13 63.709 0.300 . 1 . . . . 89 S CB . 17143 1 439 . 1 1 92 92 SER N N 15 115.480 0.300 . 1 . . . . 89 S N . 17143 1 440 . 1 1 93 93 GLN H H 1 8.242 0.030 . 1 . . . . 90 Q H . 17143 1 441 . 1 1 93 93 GLN HA H 1 4.260 0.030 . 1 . . . . 90 Q HA . 17143 1 442 . 1 1 93 93 GLN C C 13 175.960 0.300 . 1 . . . . 90 Q C . 17143 1 443 . 1 1 93 93 GLN CA C 13 55.963 0.300 . 1 . . . . 90 Q CA . 17143 1 444 . 1 1 93 93 GLN CB C 13 29.286 0.300 . 1 . . . . 90 Q CB . 17143 1 445 . 1 1 93 93 GLN N N 15 121.210 0.300 . 1 . . . . 90 Q N . 17143 1 446 . 1 1 94 94 CYS H H 1 8.256 0.030 . 1 . . . . 91 C H . 17143 1 447 . 1 1 94 94 CYS HA H 1 4.390 0.030 . 1 . . . . 91 C HA . 17143 1 448 . 1 1 94 94 CYS C C 13 174.720 0.300 . 1 . . . . 91 C C . 17143 1 449 . 1 1 94 94 CYS CA C 13 58.741 0.300 . 1 . . . . 91 C CA . 17143 1 450 . 1 1 94 94 CYS CB C 13 27.983 0.300 . 1 . . . . 91 C CB . 17143 1 451 . 1 1 94 94 CYS N N 15 120.040 0.300 . 1 . . . . 91 C N . 17143 1 452 . 1 1 95 95 VAL H H 1 8.185 0.030 . 1 . . . . 92 V H . 17143 1 453 . 1 1 95 95 VAL HA H 1 4.100 0.030 . 1 . . . . 92 V HA . 17143 1 454 . 1 1 95 95 VAL C C 13 176.110 0.300 . 1 . . . . 92 V C . 17143 1 455 . 1 1 95 95 VAL CA C 13 62.370 0.300 . 1 . . . . 92 V CA . 17143 1 456 . 1 1 95 95 VAL CB C 13 32.747 0.300 . 1 . . . . 92 V CB . 17143 1 457 . 1 1 95 95 VAL N N 15 122.030 0.300 . 1 . . . . 92 V N . 17143 1 458 . 1 1 96 96 SER H H 1 8.317 0.030 . 1 . . . . 93 S H . 17143 1 459 . 1 1 96 96 SER HA H 1 4.340 0.030 . 1 . . . . 93 S HA . 17143 1 460 . 1 1 96 96 SER C C 13 174.020 0.300 . 1 . . . . 93 S C . 17143 1 461 . 1 1 96 96 SER CA C 13 58.260 0.300 . 1 . . . . 93 S CA . 17143 1 462 . 1 1 96 96 SER CB C 13 63.856 0.300 . 1 . . . . 93 S CB . 17143 1 463 . 1 1 96 96 SER N N 15 119.350 0.300 . 1 . . . . 93 S N . 17143 1 464 . 1 1 97 97 GLN H H 1 8.297 0.030 . 1 . . . . 94 Q H . 17143 1 465 . 1 1 97 97 GLN C C 13 173.820 0.300 . 1 . . . . 94 Q C . 17143 1 466 . 1 1 97 97 GLN CA C 13 53.664 0.300 . 1 . . . . 94 Q CA . 17143 1 467 . 1 1 97 97 GLN CB C 13 29.116 0.300 . 1 . . . . 94 Q CB . 17143 1 468 . 1 1 97 97 GLN N N 15 123.040 0.300 . 1 . . . . 94 Q N . 17143 1 469 . 1 1 98 98 PRO HA H 1 3.870 0.030 . 1 . . . . 95 P HA . 17143 1 470 . 1 1 98 98 PRO C C 13 176.790 0.300 . 1 . . . . 95 P C . 17143 1 471 . 1 1 98 98 PRO CA C 13 63.138 0.300 . 1 . . . . 95 P CA . 17143 1 472 . 1 1 98 98 PRO CB C 13 32.007 0.300 . 1 . . . . 95 P CB . 17143 1 473 . 1 1 99 99 VAL H H 1 8.202 0.030 . 1 . . . . 96 V H . 17143 1 474 . 1 1 99 99 VAL HA H 1 3.940 0.030 . 1 . . . . 96 V HA . 17143 1 475 . 1 1 99 99 VAL C C 13 175.990 0.300 . 1 . . . . 96 V C . 17143 1 476 . 1 1 99 99 VAL CA C 13 62.415 0.300 . 1 . . . . 96 V CA . 17143 1 477 . 1 1 99 99 VAL CB C 13 32.640 0.300 . 1 . . . . 96 V CB . 17143 1 478 . 1 1 99 99 VAL N N 15 120.270 0.300 . 1 . . . . 96 V N . 17143 1 479 . 1 1 100 100 HIS H H 1 8.352 0.030 . 1 . . . . 97 H H . 17143 1 480 . 1 1 100 100 HIS HA H 1 4.590 0.030 . 1 . . . . 97 H HA . 17143 1 481 . 1 1 100 100 HIS C C 13 175.090 0.300 . 1 . . . . 97 H C . 17143 1 482 . 1 1 100 100 HIS CA C 13 55.761 0.300 . 1 . . . . 97 H CA . 17143 1 483 . 1 1 100 100 HIS CB C 13 30.585 0.300 . 1 . . . . 97 H CB . 17143 1 484 . 1 1 100 100 HIS N N 15 122.910 0.300 . 1 . . . . 97 H N . 17143 1 485 . 1 1 101 101 GLU H H 1 8.446 0.030 . 1 . . . . 98 E H . 17143 1 486 . 1 1 101 101 GLU HA H 1 4.270 0.030 . 1 . . . . 98 E HA . 17143 1 487 . 1 1 101 101 GLU C C 13 176.570 0.300 . 1 . . . . 98 E C . 17143 1 488 . 1 1 101 101 GLU CA C 13 56.706 0.300 . 1 . . . . 98 E CA . 17143 1 489 . 1 1 101 101 GLU CB C 13 30.386 0.300 . 1 . . . . 98 E CB . 17143 1 490 . 1 1 101 101 GLU N N 15 122.980 0.300 . 1 . . . . 98 E N . 17143 1 491 . 1 1 102 102 THR H H 1 8.194 0.030 . 1 . . . . 99 T H . 17143 1 492 . 1 1 102 102 THR HA H 1 4.230 0.030 . 1 . . . . 99 T HA . 17143 1 493 . 1 1 102 102 THR C C 13 174.360 0.300 . 1 . . . . 99 T C . 17143 1 494 . 1 1 102 102 THR CA C 13 61.843 0.300 . 1 . . . . 99 T CA . 17143 1 495 . 1 1 102 102 THR CB C 13 70.065 0.300 . 1 . . . . 99 T CB . 17143 1 496 . 1 1 102 102 THR N N 15 114.420 0.300 . 1 . . . . 99 T N . 17143 1 497 . 1 1 103 103 GLY H H 1 8.031 0.030 . 1 . . . . 100 G H . 17143 1 498 . 1 1 103 103 GLY C C 13 179.050 0.300 . 1 . . . . 100 G C . 17143 1 499 . 1 1 103 103 GLY CA C 13 46.279 0.300 . 1 . . . . 100 G CA . 17143 1 500 . 1 1 103 103 GLY N N 15 117.310 0.300 . 1 . . . . 100 G N . 17143 1 stop_ save_