################################### # 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 17663 _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' . . . 17663 1 2 '3D HNCA' . . . 17663 1 3 '3D HBHA(CO)NH' . . . 17663 1 4 '3D CBCA(CO)NH' . . . 17663 1 5 '3D 1H-15N NOESY' . . . 17663 1 6 '3D 1H-15N TOCSY' . . . 17663 1 7 '3D HNCO' . . . 17663 1 8 '3D HN(CA)CO' . . . 17663 1 9 '3D HNCACB' . . . 17663 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 19 19 LEU H H 1 8.075 0.01 . 1 . . . . 60 LEU H . 17663 1 2 . 1 1 19 19 LEU HA H 1 4.270 0.01 . 1 . . . . 60 LEU HA . 17663 1 3 . 1 1 19 19 LEU HB2 H 1 1.580 0.01 . 1 . . . . 60 LEU HB2 . 17663 1 4 . 1 1 19 19 LEU C C 13 177.370 0.1 . 1 . . . . 60 LEU C . 17663 1 5 . 1 1 19 19 LEU CA C 13 55.620 0.1 . 1 . . . . 60 LEU CA . 17663 1 6 . 1 1 19 19 LEU CB C 13 42.270 0.1 . 1 . . . . 60 LEU CB . 17663 1 7 . 1 1 19 19 LEU N N 15 122.200 0.1 . 1 . . . . 60 LEU N . 17663 1 8 . 1 1 20 20 LYS H H 1 8.212 0.01 . 1 . . . . 61 LYS H . 17663 1 9 . 1 1 20 20 LYS HA H 1 4.250 0.01 . 1 . . . . 61 LYS HA . 17663 1 10 . 1 1 20 20 LYS HB2 H 1 1.760 0.01 . 1 . . . . 61 LYS HB2 . 17663 1 11 . 1 1 20 20 LYS C C 13 176.600 0.1 . 1 . . . . 61 LYS C . 17663 1 12 . 1 1 20 20 LYS CA C 13 56.400 0.1 . 1 . . . . 61 LYS CA . 17663 1 13 . 1 1 20 20 LYS CB C 13 32.600 0.1 . 1 . . . . 61 LYS CB . 17663 1 14 . 1 1 20 20 LYS N N 15 121.865 0.1 . 1 . . . . 61 LYS N . 17663 1 15 . 1 1 21 21 ARG H H 1 8.322 0.01 . 1 . . . . 62 ARG H . 17663 1 16 . 1 1 21 21 ARG HA H 1 4.260 0.01 . 1 . . . . 62 ARG HA . 17663 1 17 . 1 1 21 21 ARG HB2 H 1 1.760 0.01 . 1 . . . . 62 ARG HB2 . 17663 1 18 . 1 1 21 21 ARG C C 13 176.270 0.1 . 1 . . . . 62 ARG C . 17663 1 19 . 1 1 21 21 ARG CA C 13 56.480 0.1 . 1 . . . . 62 ARG CA . 17663 1 20 . 1 1 21 21 ARG CB C 13 30.500 0.1 . 1 . . . . 62 ARG CB . 17663 1 21 . 1 1 21 21 ARG N N 15 121.818 0.1 . 1 . . . . 62 ARG N . 17663 1 22 . 1 1 22 22 GLU H H 1 8.341 0.01 . 1 . . . . 63 GLU H . 17663 1 23 . 1 1 22 22 GLU HA H 1 4.280 0.01 . 1 . . . . 63 GLU HA . 17663 1 24 . 1 1 22 22 GLU HB2 H 1 2.330 0.01 . 1 . . . . 63 GLU HB2 . 17663 1 25 . 1 1 22 22 GLU C C 13 175.850 0.1 . 1 . . . . 63 GLU C . 17663 1 26 . 1 1 22 22 GLU CA C 13 55.950 0.1 . 1 . . . . 63 GLU CA . 17663 1 27 . 1 1 22 22 GLU CB C 13 29.450 0.1 . 1 . . . . 63 GLU CB . 17663 1 28 . 1 1 22 22 GLU N N 15 121.488 0.1 . 1 . . . . 63 GLU N . 17663 1 29 . 1 1 23 23 ARG H H 1 8.353 0.01 . 1 . . . . 64 ARG H . 17663 1 30 . 1 1 23 23 ARG HA H 1 4.320 0.01 . 1 . . . . 64 ARG HA . 17663 1 31 . 1 1 23 23 ARG HB2 H 1 1.740 0.01 . 1 . . . . 64 ARG HB2 . 17663 1 32 . 1 1 23 23 ARG C C 13 176.040 0.1 . 1 . . . . 64 ARG C . 17663 1 33 . 1 1 23 23 ARG CA C 13 56.050 0.1 . 1 . . . . 64 ARG CA . 17663 1 34 . 1 1 23 23 ARG CB C 13 30.920 0.1 . 1 . . . . 64 ARG CB . 17663 1 35 . 1 1 23 23 ARG N N 15 122.574 0.1 . 1 . . . . 64 ARG N . 17663 1 36 . 1 1 24 24 GLN H H 1 8.226 0.01 . 1 . . . . 65 GLN H . 17663 1 37 . 1 1 24 24 GLN C C 13 176.590 0.1 . 1 . . . . 65 GLN C . 17663 1 38 . 1 1 24 24 GLN CA C 13 56.250 0.1 . 1 . . . . 65 GLN CA . 17663 1 39 . 1 1 24 24 GLN CB C 13 30.780 0.1 . 1 . . . . 65 GLN CB . 17663 1 40 . 1 1 24 24 GLN N N 15 122.037 0.1 . 1 . . . . 65 GLN N . 17663 1 41 . 1 1 25 25 ARG H H 1 8.203 0.01 . 1 . . . . 66 ARG H . 17663 1 42 . 1 1 25 25 ARG HA H 1 4.260 0.01 . 1 . . . . 66 ARG HA . 17663 1 43 . 1 1 25 25 ARG HB2 H 1 1.760 0.01 . 1 . . . . 66 ARG HB2 . 17663 1 44 . 1 1 25 25 ARG C C 13 176.380 0.1 . 1 . . . . 66 ARG C . 17663 1 45 . 1 1 25 25 ARG CA C 13 56.580 0.1 . 1 . . . . 66 ARG CA . 17663 1 46 . 1 1 25 25 ARG CB C 13 32.650 0.1 . 1 . . . . 66 ARG CB . 17663 1 47 . 1 1 25 25 ARG N N 15 122.043 0.1 . 1 . . . . 66 ARG N . 17663 1 48 . 1 1 26 26 SER H H 1 8.271 0.01 . 1 . . . . 67 SER H . 17663 1 49 . 1 1 26 26 SER HA H 1 4.440 0.01 . 1 . . . . 67 SER HA . 17663 1 50 . 1 1 26 26 SER HB2 H 1 3.840 0.01 . 1 . . . . 67 SER HB2 . 17663 1 51 . 1 1 26 26 SER N N 15 116.511 0.1 . 1 . . . . 67 SER N . 17663 1 52 . 1 1 27 27 PRO C C 13 176.730 0.1 . 1 . . . . 68 PRO C . 17663 1 53 . 1 1 27 27 PRO CA C 13 63.410 0.1 . 1 . . . . 68 PRO CA . 17663 1 54 . 1 1 27 27 PRO CB C 13 31.900 0.1 . 1 . . . . 68 PRO CB . 17663 1 55 . 1 1 28 28 ILE H H 1 8.073 0.01 . 1 . . . . 69 ILE H . 17663 1 56 . 1 1 28 28 ILE HA H 1 4.040 0.01 . 1 . . . . 69 ILE HA . 17663 1 57 . 1 1 28 28 ILE HB H 1 1.710 0.01 . 1 . . . . 69 ILE HB . 17663 1 58 . 1 1 28 28 ILE C C 13 176.380 0.1 . 1 . . . . 69 ILE C . 17663 1 59 . 1 1 28 28 ILE CA C 13 61.400 0.1 . 1 . . . . 69 ILE CA . 17663 1 60 . 1 1 28 28 ILE CB C 13 38.560 0.1 . 1 . . . . 69 ILE CB . 17663 1 61 . 1 1 28 28 ILE N N 15 120.489 0.1 . 1 . . . . 69 ILE N . 17663 1 62 . 1 1 29 29 THR H H 1 7.913 0.01 . 1 . . . . 70 THR H . 17663 1 63 . 1 1 29 29 THR HA H 1 4.280 0.01 . 1 . . . . 70 THR HA . 17663 1 64 . 1 1 29 29 THR HB H 1 4.130 0.01 . 1 . . . . 70 THR HB . 17663 1 65 . 1 1 29 29 THR C C 13 174.210 0.1 . 1 . . . . 70 THR C . 17663 1 66 . 1 1 29 29 THR CA C 13 61.620 0.1 . 1 . . . . 70 THR CA . 17663 1 67 . 1 1 29 29 THR CB C 13 69.870 0.1 . 1 . . . . 70 THR CB . 17663 1 68 . 1 1 29 29 THR N N 15 117.277 0.1 . 1 . . . . 70 THR N . 17663 1 69 . 1 1 30 30 TRP H H 1 8.004 0.01 . 1 . . . . 71 TRP H . 17663 1 70 . 1 1 30 30 TRP HA H 1 4.640 0.01 . 1 . . . . 71 TRP HA . 17663 1 71 . 1 1 30 30 TRP HB2 H 1 3.210 0.01 . 1 . . . . 71 TRP HB2 . 17663 1 72 . 1 1 30 30 TRP C C 13 176.100 0.1 . 1 . . . . 71 TRP C . 17663 1 73 . 1 1 30 30 TRP CA C 13 57.350 0.1 . 1 . . . . 71 TRP CA . 17663 1 74 . 1 1 30 30 TRP CB C 13 29.610 0.1 . 1 . . . . 71 TRP CB . 17663 1 75 . 1 1 30 30 TRP N N 15 122.898 0.1 . 1 . . . . 71 TRP N . 17663 1 76 . 1 1 31 31 GLU H H 1 8.235 0.01 . 1 . . . . 72 GLU H . 17663 1 77 . 1 1 31 31 GLU HA H 1 4.100 0.01 . 1 . . . . 72 GLU HA . 17663 1 78 . 1 1 31 31 GLU HB2 H 1 2.000 0.01 . 1 . . . . 72 GLU HB2 . 17663 1 79 . 1 1 31 31 GLU C C 13 176.200 0.1 . 1 . . . . 72 GLU C . 17663 1 80 . 1 1 31 31 GLU CA C 13 57.040 0.1 . 1 . . . . 72 GLU CA . 17663 1 81 . 1 1 31 31 GLU CB C 13 30.700 0.1 . 1 . . . . 72 GLU CB . 17663 1 82 . 1 1 31 31 GLU N N 15 121.842 0.1 . 1 . . . . 72 GLU N . 17663 1 83 . 1 1 32 32 HIS H H 1 8.201 0.01 . 1 . . . . 73 HIS H . 17663 1 84 . 1 1 32 32 HIS HA H 1 4.570 0.01 . 1 . . . . 73 HIS HA . 17663 1 85 . 1 1 32 32 HIS HB2 H 1 3.090 0.01 . 1 . . . . 73 HIS HB2 . 17663 1 86 . 1 1 32 32 HIS C C 13 176.400 0.1 . 1 . . . . 73 HIS C . 17663 1 87 . 1 1 32 32 HIS CA C 13 56.010 0.1 . 1 . . . . 73 HIS CA . 17663 1 88 . 1 1 32 32 HIS CB C 13 29.800 0.1 . 1 . . . . 73 HIS CB . 17663 1 89 . 1 1 32 32 HIS N N 15 119.145 0.1 . 1 . . . . 73 HIS N . 17663 1 90 . 1 1 33 33 GLN H H 1 8.401 0.01 . 1 . . . . 74 GLN H . 17663 1 91 . 1 1 33 33 GLN HA H 1 4.250 0.01 . 1 . . . . 74 GLN HA . 17663 1 92 . 1 1 33 33 GLN HB2 H 1 2.230 0.01 . 1 . . . . 74 GLN HB2 . 17663 1 93 . 1 1 33 33 GLN C C 13 176.030 0.1 . 1 . . . . 74 GLN C . 17663 1 94 . 1 1 33 33 GLN CA C 13 56.750 0.1 . 1 . . . . 74 GLN CA . 17663 1 95 . 1 1 33 33 GLN CB C 13 30.380 0.1 . 1 . . . . 74 GLN CB . 17663 1 96 . 1 1 33 33 GLN N N 15 121.955 0.1 . 1 . . . . 74 GLN N . 17663 1 97 . 1 1 34 34 SER H H 1 8.315 0.01 . 1 . . . . 75 SER H . 17663 1 98 . 1 1 34 34 SER HA H 1 4.700 0.01 . 1 . . . . 75 SER HA . 17663 1 99 . 1 1 34 34 SER HB2 H 1 3.810 0.01 . 1 . . . . 75 SER HB2 . 17663 1 100 . 1 1 34 34 SER C C 13 172.700 0.1 . 1 . . . . 75 SER C . 17663 1 101 . 1 1 34 34 SER CA C 13 56.380 0.1 . 1 . . . . 75 SER CA . 17663 1 102 . 1 1 34 34 SER CB C 13 63.440 0.1 . 1 . . . . 75 SER CB . 17663 1 103 . 1 1 34 34 SER N N 15 118.548 0.1 . 1 . . . . 75 SER N . 17663 1 104 . 1 1 35 35 PRO C C 13 177.170 0.1 . 1 . . . . 76 PRO C . 17663 1 105 . 1 1 35 35 PRO CA C 13 63.600 0.1 . 1 . . . . 76 PRO CA . 17663 1 106 . 1 1 35 35 PRO CB C 13 31.830 0.1 . 1 . . . . 76 PRO CB . 17663 1 107 . 1 1 36 36 LEU H H 1 8.105 0.01 . 1 . . . . 77 LEU H . 17663 1 108 . 1 1 36 36 LEU HA H 1 4.270 0.01 . 1 . . . . 77 LEU HA . 17663 1 109 . 1 1 36 36 LEU HB2 H 1 1.580 0.01 . 1 . . . . 77 LEU HB2 . 17663 1 110 . 1 1 36 36 LEU C C 13 177.590 0.1 . 1 . . . . 77 LEU C . 17663 1 111 . 1 1 36 36 LEU CA C 13 55.510 0.1 . 1 . . . . 77 LEU CA . 17663 1 112 . 1 1 36 36 LEU CB C 13 42.140 0.1 . 1 . . . . 77 LEU CB . 17663 1 113 . 1 1 36 36 LEU N N 15 120.396 0.1 . 1 . . . . 77 LEU N . 17663 1 114 . 1 1 37 37 SER H H 1 8.003 0.01 . 1 . . . . 78 SER H . 17663 1 115 . 1 1 37 37 SER HA H 1 4.370 0.01 . 1 . . . . 78 SER HA . 17663 1 116 . 1 1 37 37 SER HB2 H 1 3.850 0.01 . 1 . . . . 78 SER HB2 . 17663 1 117 . 1 1 37 37 SER C C 13 174.560 0.1 . 1 . . . . 78 SER C . 17663 1 118 . 1 1 37 37 SER CA C 13 58.580 0.1 . 1 . . . . 78 SER CA . 17663 1 119 . 1 1 37 37 SER CB C 13 63.770 0.1 . 1 . . . . 78 SER CB . 17663 1 120 . 1 1 37 37 SER N N 15 115.557 0.1 . 1 . . . . 78 SER N . 17663 1 121 . 1 1 38 38 ARG H H 1 8.137 0.01 . 1 . . . . 79 ARG H . 17663 1 122 . 1 1 38 38 ARG HA H 1 4.280 0.01 . 1 . . . . 79 ARG HA . 17663 1 123 . 1 1 38 38 ARG HB2 H 1 1.740 0.01 . 1 . . . . 79 ARG HB2 . 17663 1 124 . 1 1 38 38 ARG C C 13 175.920 0.1 . 1 . . . . 79 ARG C . 17663 1 125 . 1 1 38 38 ARG CA C 13 56.300 0.1 . 1 . . . . 79 ARG CA . 17663 1 126 . 1 1 38 38 ARG CB C 13 30.700 0.1 . 1 . . . . 79 ARG CB . 17663 1 127 . 1 1 38 38 ARG N N 15 122.601 0.1 . 1 . . . . 79 ARG N . 17663 1 128 . 1 1 39 39 VAL H H 1 7.890 0.01 . 1 . . . . 80 VAL H . 17663 1 129 . 1 1 39 39 VAL HA H 1 4.020 0.01 . 1 . . . . 80 VAL HA . 17663 1 130 . 1 1 39 39 VAL HB H 1 1.950 0.01 . 1 . . . . 80 VAL HB . 17663 1 131 . 1 1 39 39 VAL C C 13 175.650 0.1 . 1 . . . . 80 VAL C . 17663 1 132 . 1 1 39 39 VAL CA C 13 62.400 0.1 . 1 . . . . 80 VAL CA . 17663 1 133 . 1 1 39 39 VAL CB C 13 32.780 0.1 . 1 . . . . 80 VAL CB . 17663 1 134 . 1 1 39 39 VAL N N 15 120.225 0.1 . 1 . . . . 80 VAL N . 17663 1 135 . 1 1 40 40 TYR H H 1 8.219 0.01 . 1 . . . . 81 TYR H . 17663 1 136 . 1 1 40 40 TYR HA H 1 4.510 0.01 . 1 . . . . 81 TYR HA . 17663 1 137 . 1 1 40 40 TYR HB2 H 1 2.920 0.01 . 1 . . . . 81 TYR HB2 . 17663 1 138 . 1 1 40 40 TYR C C 13 175.270 0.1 . 1 . . . . 81 TYR C . 17663 1 139 . 1 1 40 40 TYR CA C 13 56.090 0.1 . 1 . . . . 81 TYR CA . 17663 1 140 . 1 1 40 40 TYR CB C 13 39.410 0.1 . 1 . . . . 81 TYR CB . 17663 1 141 . 1 1 40 40 TYR N N 15 124.479 0.1 . 1 . . . . 81 TYR N . 17663 1 142 . 1 1 41 41 ARG H H 1 8.015 0.01 . 1 . . . . 82 ARG H . 17663 1 143 . 1 1 41 41 ARG HA H 1 4.280 0.01 . 1 . . . . 82 ARG HA . 17663 1 144 . 1 1 41 41 ARG HB2 H 1 1.670 0.01 . 1 . . . . 82 ARG HB2 . 17663 1 145 . 1 1 41 41 ARG C C 13 175.300 0.1 . 1 . . . . 82 ARG C . 17663 1 146 . 1 1 41 41 ARG CA C 13 55.400 0.1 . 1 . . . . 82 ARG CA . 17663 1 147 . 1 1 41 41 ARG CB C 13 30.800 0.1 . 1 . . . . 82 ARG CB . 17663 1 148 . 1 1 41 41 ARG N N 15 123.825 0.1 . 1 . . . . 82 ARG N . 17663 1 149 . 1 1 42 42 SER H H 1 8.239 0.01 . 1 . . . . 83 SER H . 17663 1 150 . 1 1 42 42 SER HA H 1 4.610 0.01 . 1 . . . . 83 SER HA . 17663 1 151 . 1 1 42 42 SER HB2 H 1 3.810 0.01 . 1 . . . . 83 SER HB2 . 17663 1 152 . 1 1 42 42 SER CA C 13 56.510 0.1 . 1 . . . . 83 SER CA . 17663 1 153 . 1 1 42 42 SER CB C 13 63.490 0.1 . 1 . . . . 83 SER CB . 17663 1 154 . 1 1 42 42 SER N N 15 118.856 0.1 . 1 . . . . 83 SER N . 17663 1 155 . 1 1 43 43 PRO C C 13 176.680 0.1 . 1 . . . . 84 PRO C . 17663 1 156 . 1 1 43 43 PRO CA C 13 63.100 0.1 . 1 . . . . 84 PRO CA . 17663 1 157 . 1 1 43 43 PRO CB C 13 31.700 0.1 . 1 . . . . 84 PRO CB . 17663 1 158 . 1 1 44 44 SER H H 1 8.309 0.01 . 1 . . . . 85 SER H . 17663 1 159 . 1 1 44 44 SER HA H 1 4.690 0.01 . 1 . . . . 85 SER HA . 17663 1 160 . 1 1 44 44 SER HB2 H 1 3.800 0.01 . 1 . . . . 85 SER HB2 . 17663 1 161 . 1 1 44 44 SER C C 13 173.000 0.1 . 1 . . . . 85 SER C . 17663 1 162 . 1 1 44 44 SER CA C 13 56.500 0.1 . 1 . . . . 85 SER CA . 17663 1 163 . 1 1 44 44 SER CB C 13 62.770 0.1 . 1 . . . . 85 SER CB . 17663 1 164 . 1 1 44 44 SER N N 15 117.352 0.1 . 1 . . . . 85 SER N . 17663 1 165 . 1 1 45 45 PRO C C 13 176.900 0.1 . 1 . . . . 86 PRO C . 17663 1 166 . 1 1 45 45 PRO CA C 13 63.500 0.1 . 1 . . . . 86 PRO CA . 17663 1 167 . 1 1 45 45 PRO CB C 13 31.900 0.1 . 1 . . . . 86 PRO CB . 17663 1 168 . 1 1 46 46 MET H H 1 8.266 0.01 . 1 . . . . 87 MET H . 17663 1 169 . 1 1 46 46 MET HA H 1 4.340 0.01 . 1 . . . . 87 MET HA . 17663 1 170 . 1 1 46 46 MET HB2 H 1 2.470 0.01 . 1 . . . . 87 MET HB . 17663 1 171 . 1 1 46 46 MET HB3 H 1 2.470 0.01 . 1 . . . . 87 MET HB . 17663 1 172 . 1 1 46 46 MET C C 13 176.140 0.1 . 1 . . . . 87 MET C . 17663 1 173 . 1 1 46 46 MET CA C 13 55.780 0.1 . 1 . . . . 87 MET CA . 17663 1 174 . 1 1 46 46 MET CB C 13 32.500 0.1 . 1 . . . . 87 MET CB . 17663 1 175 . 1 1 46 46 MET N N 15 120.071 0.1 . 1 . . . . 87 MET N . 17663 1 176 . 1 1 47 47 ARG H H 1 8.127 0.01 . 1 . . . . 88 ARG H . 17663 1 177 . 1 1 47 47 ARG HA H 1 4.230 0.01 . 1 . . . . 88 ARG HA . 17663 1 178 . 1 1 47 47 ARG HB2 H 1 1.630 0.01 . 1 . . . . 88 ARG HB2 . 17663 1 179 . 1 1 47 47 ARG C C 13 175.830 0.1 . 1 . . . . 88 ARG C . 17663 1 180 . 1 1 47 47 ARG CA C 13 56.100 0.1 . 1 . . . . 88 ARG CA . 17663 1 181 . 1 1 47 47 ARG CB C 13 30.700 0.1 . 1 . . . . 88 ARG CB . 17663 1 182 . 1 1 47 47 ARG N N 15 121.938 0.1 . 1 . . . . 88 ARG N . 17663 1 183 . 1 1 48 48 PHE H H 1 8.195 0.01 . 1 . . . . 89 PHE H . 17663 1 184 . 1 1 48 48 PHE HA H 1 4.610 0.01 . 1 . . . . 89 PHE HA . 17663 1 185 . 1 1 48 48 PHE HB2 H 1 3.180 0.01 . 1 . . . . 89 PHE HB2 . 17663 1 186 . 1 1 48 48 PHE C C 13 176.190 0.1 . 1 . . . . 89 PHE C . 17663 1 187 . 1 1 48 48 PHE CA C 13 57.780 0.1 . 1 . . . . 89 PHE CA . 17663 1 188 . 1 1 48 48 PHE CB C 13 39.390 0.1 . 1 . . . . 89 PHE CB . 17663 1 189 . 1 1 48 48 PHE N N 15 120.675 0.1 . 1 . . . . 89 PHE N . 17663 1 190 . 1 1 49 49 GLY H H 1 8.255 0.01 . 1 . . . . 90 GLY H . 17663 1 191 . 1 1 49 49 GLY HA2 H 1 3.880 0.01 . 1 . . . . 90 GLY HA2 . 17663 1 192 . 1 1 49 49 GLY C C 13 173.750 0.1 . 1 . . . . 90 GLY C . 17663 1 193 . 1 1 49 49 GLY CA C 13 45.190 0.1 . 1 . . . . 90 GLY CA . 17663 1 194 . 1 1 49 49 GLY N N 15 109.906 0.1 . 1 . . . . 90 GLY N . 17663 1 195 . 1 1 50 50 LYS H H 1 8.106 0.01 . 1 . . . . 91 LYS H . 17663 1 196 . 1 1 50 50 LYS HA H 1 4.300 0.01 . 1 . . . . 91 LYS HA . 17663 1 197 . 1 1 50 50 LYS HB2 H 1 1.700 0.01 . 1 . . . . 91 LYS HB2 . 17663 1 198 . 1 1 50 50 LYS C C 13 176.360 0.1 . 1 . . . . 91 LYS C . 17663 1 199 . 1 1 50 50 LYS CA C 13 56.180 0.1 . 1 . . . . 91 LYS CA . 17663 1 200 . 1 1 50 50 LYS CB C 13 33.080 0.1 . 1 . . . . 91 LYS CB . 17663 1 201 . 1 1 50 50 LYS N N 15 120.740 0.1 . 1 . . . . 91 LYS N . 17663 1 202 . 1 1 51 51 ARG H H 1 8.327 0.01 . 1 . . . . 92 ARG H . 17663 1 203 . 1 1 51 51 ARG HA H 1 4.550 0.01 . 1 . . . . 92 ARG HA . 17663 1 204 . 1 1 51 51 ARG HB2 H 1 1.690 0.01 . 1 . . . . 92 ARG HB2 . 17663 1 205 . 1 1 51 51 ARG C C 13 174.200 0.1 . 1 . . . . 92 ARG C . 17663 1 206 . 1 1 51 51 ARG CA C 13 54.000 0.1 . 1 . . . . 92 ARG CA . 17663 1 207 . 1 1 51 51 ARG CB C 13 30.000 0.1 . 1 . . . . 92 ARG CB . 17663 1 208 . 1 1 51 51 ARG N N 15 123.498 0.1 . 1 . . . . 92 ARG N . 17663 1 209 . 1 1 52 52 PRO C C 13 177.140 0.1 . 1 . . . . 93 PRO C . 17663 1 210 . 1 1 52 52 PRO CA C 13 63.150 0.1 . 1 . . . . 93 PRO CA . 17663 1 211 . 1 1 52 52 PRO CB C 13 31.000 0.1 . 1 . . . . 93 PRO CB . 17663 1 212 . 1 1 53 53 ARG H H 1 8.395 0.01 . 1 . . . . 94 ARG H . 17663 1 213 . 1 1 53 53 ARG HA H 1 4.260 0.01 . 1 . . . . 94 ARG HA . 17663 1 214 . 1 1 53 53 ARG HB2 H 1 1.740 0.01 . 1 . . . . 94 ARG HB2 . 17663 1 215 . 1 1 53 53 ARG C C 13 176.300 0.1 . 1 . . . . 94 ARG C . 17663 1 216 . 1 1 53 53 ARG CA C 13 56.220 0.1 . 1 . . . . 94 ARG CA . 17663 1 217 . 1 1 53 53 ARG CB C 13 30.900 0.1 . 1 . . . . 94 ARG CB . 17663 1 218 . 1 1 53 53 ARG N N 15 121.776 0.1 . 1 . . . . 94 ARG N . 17663 1 219 . 1 1 54 54 ILE H H 1 8.165 0.01 . 1 . . . . 95 ILE H . 17663 1 220 . 1 1 54 54 ILE HA H 1 4.220 0.01 . 1 . . . . 95 ILE HA . 17663 1 221 . 1 1 54 54 ILE HB H 1 1.840 0.01 . 1 . . . . 95 ILE HB . 17663 1 222 . 1 1 54 54 ILE C C 13 176.130 0.1 . 1 . . . . 95 ILE C . 17663 1 223 . 1 1 54 54 ILE CA C 13 61.260 0.1 . 1 . . . . 95 ILE CA . 17663 1 224 . 1 1 54 54 ILE CB C 13 38.880 0.1 . 1 . . . . 95 ILE CB . 17663 1 225 . 1 1 54 54 ILE N N 15 122.408 0.1 . 1 . . . . 95 ILE N . 17663 1 226 . 1 1 55 55 SER H H 1 8.395 0.01 . 1 . . . . 96 SER H . 17663 1 227 . 1 1 55 55 SER HA H 1 4.480 0.01 . 1 . . . . 96 SER HA . 17663 1 228 . 1 1 55 55 SER HB2 H 1 3.830 0.01 . 1 . . . . 96 SER HB2 . 17663 1 229 . 1 1 55 55 SER CA C 13 58.100 0.1 . 1 . . . . 96 SER CA . 17663 1 230 . 1 1 55 55 SER N N 15 120.189 0.1 . 1 . . . . 96 SER N . 17663 1 231 . 1 1 56 56 SER H H 1 8.373 0.01 . 1 . . . . 97 SER H . 17663 1 232 . 1 1 56 56 SER HB2 H 1 3.820 0.01 . 1 . . . . 97 SER HB2 . 17663 1 233 . 1 1 56 56 SER CA C 13 58.300 0.1 . 1 . . . . 97 SER CA . 17663 1 234 . 1 1 56 56 SER N N 15 118.475 0.1 . 1 . . . . 97 SER N . 17663 1 235 . 1 1 57 57 ASN H H 1 8.452 0.01 . 1 . . . . 98 ASN H . 17663 1 236 . 1 1 57 57 ASN HB2 H 1 2.770 0.01 . 1 . . . . 98 ASN HB2 . 17663 1 237 . 1 1 57 57 ASN N N 15 121.155 0.1 . 1 . . . . 98 ASN N . 17663 1 238 . 1 1 58 58 SER H H 1 8.263 0.01 . 1 . . . . 99 SER H . 17663 1 239 . 1 1 58 58 SER HA H 1 4.440 0.01 . 1 . . . . 99 SER HA . 17663 1 240 . 1 1 58 58 SER HB2 H 1 3.840 0.01 . 1 . . . . 99 SER HB2 . 17663 1 241 . 1 1 58 58 SER C C 13 176.700 0.1 . 1 . . . . 99 SER C . 17663 1 242 . 1 1 58 58 SER N N 15 116.131 0.1 . 1 . . . . 99 SER N . 17663 1 243 . 1 1 59 59 THR H H 1 8.210 0.01 . 1 . . . . 100 THR H . 17663 1 244 . 1 1 59 59 THR HA H 1 4.360 0.01 . 1 . . . . 100 THR HA . 17663 1 245 . 1 1 59 59 THR HG21 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 246 . 1 1 59 59 THR HG22 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 247 . 1 1 59 59 THR HG23 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 248 . 1 1 59 59 THR C C 13 174.750 0.1 . 1 . . . . 100 THR C . 17663 1 249 . 1 1 59 59 THR CA C 13 62.000 0.1 . 1 . . . . 100 THR CA . 17663 1 250 . 1 1 59 59 THR CB C 13 69.860 0.1 . 1 . . . . 100 THR CB . 17663 1 251 . 1 1 59 59 THR N N 15 115.500 0.1 . 1 . . . . 100 THR N . 17663 1 252 . 1 1 60 60 SER H H 1 8.229 0.01 . 1 . . . . 101 SER H . 17663 1 253 . 1 1 60 60 SER HA H 1 4.430 0.01 . 1 . . . . 101 SER HA . 17663 1 254 . 1 1 60 60 SER HB2 H 1 3.850 0.01 . 1 . . . . 101 SER HB2 . 17663 1 255 . 1 1 60 60 SER C C 13 174.300 0.1 . 1 . . . . 101 SER C . 17663 1 256 . 1 1 60 60 SER CA C 13 58.400 0.1 . 1 . . . . 101 SER CA . 17663 1 257 . 1 1 60 60 SER CB C 13 63.800 0.1 . 1 . . . . 101 SER CB . 17663 1 258 . 1 1 60 60 SER N N 15 117.988 0.1 . 1 . . . . 101 SER N . 17663 1 259 . 1 1 61 61 ARG H H 1 8.324 0.01 . 1 . . . . 102 ARG H . 17663 1 260 . 1 1 61 61 ARG HA H 1 4.320 0.01 . 1 . . . . 102 ARG HA . 17663 1 261 . 1 1 61 61 ARG HB2 H 1 1.780 0.01 . 1 . . . . 102 ARG HB2 . 17663 1 262 . 1 1 61 61 ARG C C 13 176.200 0.1 . 1 . . . . 102 ARG C . 17663 1 263 . 1 1 61 61 ARG CA C 13 56.500 0.1 . 1 . . . . 102 ARG CA . 17663 1 264 . 1 1 61 61 ARG CB C 13 30.900 0.1 . 1 . . . . 102 ARG CB . 17663 1 265 . 1 1 61 61 ARG N N 15 122.946 0.1 . 1 . . . . 102 ARG N . 17663 1 266 . 1 1 62 62 SER H H 1 8.371 0.01 . 1 . . . . 103 SER H . 17663 1 267 . 1 1 62 62 SER HA H 1 4.430 0.01 . 1 . . . . 103 SER HA . 17663 1 268 . 1 1 62 62 SER HB2 H 1 3.820 0.01 . 1 . . . . 103 SER HB2 . 17663 1 269 . 1 1 62 62 SER C C 13 173.250 0.1 . 1 . . . . 103 SER C . 17663 1 270 . 1 1 62 62 SER CA C 13 56.430 0.1 . 1 . . . . 103 SER CA . 17663 1 271 . 1 1 62 62 SER CB C 13 63.600 0.1 . 1 . . . . 103 SER CB . 17663 1 272 . 1 1 62 62 SER N N 15 118.309 0.1 . 1 . . . . 103 SER N . 17663 1 273 . 1 1 63 63 CYS H H 1 8.305 0.01 . 1 . . . . 104 CYS H . 17663 1 274 . 1 1 63 63 CYS HA H 1 4.500 0.01 . 1 . . . . 104 CYS HA . 17663 1 275 . 1 1 63 63 CYS HB2 H 1 2.920 0.01 . 1 . . . . 104 CYS HB2 . 17663 1 276 . 1 1 63 63 CYS C C 13 174.300 0.1 . 1 . . . . 104 CYS C . 17663 1 277 . 1 1 63 63 CYS CA C 13 58.220 0.1 . 1 . . . . 104 CYS CA . 17663 1 278 . 1 1 63 63 CYS CB C 13 27.600 0.1 . 1 . . . . 104 CYS CB . 17663 1 279 . 1 1 63 63 CYS N N 15 121.242 0.1 . 1 . . . . 104 CYS N . 17663 1 280 . 1 1 64 64 LYS H H 1 8.385 0.01 . 1 . . . . 105 LYS H . 17663 1 281 . 1 1 64 64 LYS HA H 1 4.330 0.01 . 1 . . . . 105 LYS HA . 17663 1 282 . 1 1 64 64 LYS HB2 H 1 1.740 0.01 . 1 . . . . 105 LYS HB2 . 17663 1 283 . 1 1 64 64 LYS C C 13 176.700 0.1 . 1 . . . . 105 LYS C . 17663 1 284 . 1 1 64 64 LYS CA C 13 56.600 0.1 . 1 . . . . 105 LYS CA . 17663 1 285 . 1 1 64 64 LYS N N 15 123.788 0.1 . 1 . . . . 105 LYS N . 17663 1 286 . 1 1 65 65 THR H H 1 8.063 0.01 . 1 . . . . 106 THR H . 17663 1 287 . 1 1 65 65 THR HA H 1 4.300 0.01 . 1 . . . . 106 THR HA . 17663 1 288 . 1 1 65 65 THR HB H 1 4.080 0.01 . 1 . . . . 106 THR HB . 17663 1 289 . 1 1 65 65 THR C C 13 174.400 0.1 . 1 . . . . 106 THR C . 17663 1 290 . 1 1 65 65 THR CA C 13 62.000 0.1 . 1 . . . . 106 THR CA . 17663 1 291 . 1 1 65 65 THR CB C 13 69.000 0.1 . 1 . . . . 106 THR CB . 17663 1 292 . 1 1 65 65 THR N N 15 115.019 0.1 . 1 . . . . 106 THR N . 17663 1 293 . 1 1 66 66 SER H H 1 8.414 0.01 . 1 . . . . 107 SER H . 17663 1 294 . 1 1 66 66 SER HA H 1 4.450 0.01 . 1 . . . . 107 SER HA . 17663 1 295 . 1 1 66 66 SER HB2 H 1 3.860 0.01 . 1 . . . . 107 SER HB2 . 17663 1 296 . 1 1 66 66 SER C C 13 174.800 0.1 . 1 . . . . 107 SER C . 17663 1 297 . 1 1 66 66 SER CA C 13 58.450 0.1 . 1 . . . . 107 SER CA . 17663 1 298 . 1 1 66 66 SER CB C 13 63.800 0.1 . 1 . . . . 107 SER CB . 17663 1 299 . 1 1 66 66 SER N N 15 118.711 0.1 . 1 . . . . 107 SER N . 17663 1 300 . 1 1 67 67 TRP H H 1 8.332 0.01 . 1 . . . . 108 TRP H . 17663 1 301 . 1 1 67 67 TRP HA H 1 4.540 0.01 . 1 . . . . 108 TRP HA . 17663 1 302 . 1 1 67 67 TRP HB2 H 1 3.270 0.01 . 1 . . . . 108 TRP HB2 . 17663 1 303 . 1 1 67 67 TRP C C 13 176.400 0.1 . 1 . . . . 108 TRP C . 17663 1 304 . 1 1 67 67 TRP CA C 13 58.740 0.1 . 1 . . . . 108 TRP CA . 17663 1 305 . 1 1 67 67 TRP CB C 13 30.190 0.1 . 1 . . . . 108 TRP CB . 17663 1 306 . 1 1 67 67 TRP N N 15 123.645 0.1 . 1 . . . . 108 TRP N . 17663 1 307 . 1 1 68 68 ALA H H 1 8.022 0.01 . 1 . . . . 109 ALA H . 17663 1 308 . 1 1 68 68 ALA HA H 1 4.010 0.01 . 1 . . . . 109 ALA HA . 17663 1 309 . 1 1 68 68 ALA HB1 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 310 . 1 1 68 68 ALA HB2 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 311 . 1 1 68 68 ALA HB3 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 312 . 1 1 68 68 ALA C C 13 178.400 0.1 . 1 . . . . 109 ALA C . 17663 1 313 . 1 1 68 68 ALA CA C 13 53.710 0.1 . 1 . . . . 109 ALA CA . 17663 1 314 . 1 1 68 68 ALA CB C 13 18.700 0.1 . 1 . . . . 109 ALA CB . 17663 1 315 . 1 1 68 68 ALA N N 15 122.841 0.1 . 1 . . . . 109 ALA N . 17663 1 316 . 1 1 69 69 ASP H H 1 7.912 0.01 . 1 . . . . 110 ASP H . 17663 1 317 . 1 1 69 69 ASP HA H 1 4.450 0.01 . 1 . . . . 110 ASP HA . 17663 1 318 . 1 1 69 69 ASP HB2 H 1 2.650 0.01 . 1 . . . . 110 ASP HB2 . 17663 1 319 . 1 1 69 69 ASP C C 13 176.900 0.1 . 1 . . . . 110 ASP C . 17663 1 320 . 1 1 69 69 ASP CA C 13 55.400 0.1 . 1 . . . . 110 ASP CA . 17663 1 321 . 1 1 69 69 ASP CB C 13 41.100 0.1 . 1 . . . . 110 ASP CB . 17663 1 322 . 1 1 69 69 ASP N N 15 118.235 0.1 . 1 . . . . 110 ASP N . 17663 1 323 . 1 1 70 70 ARG H H 1 7.929 0.01 . 1 . . . . 111 ARG H . 17663 1 324 . 1 1 70 70 ARG HA H 1 4.150 0.01 . 1 . . . . 111 ARG HA . 17663 1 325 . 1 1 70 70 ARG HB2 H 1 1.770 0.01 . 1 . . . . 111 ARG HB2 . 17663 1 326 . 1 1 70 70 ARG C C 13 177.500 0.1 . 1 . . . . 111 ARG C . 17663 1 327 . 1 1 70 70 ARG CA C 13 57.460 0.1 . 1 . . . . 111 ARG CA . 17663 1 328 . 1 1 70 70 ARG CB C 13 30.410 0.1 . 1 . . . . 111 ARG CB . 17663 1 329 . 1 1 70 70 ARG N N 15 120.570 0.1 . 1 . . . . 111 ARG N . 17663 1 330 . 1 1 71 71 VAL H H 1 7.959 0.01 . 1 . . . . 112 VAL H . 17663 1 331 . 1 1 71 71 VAL HA H 1 3.850 0.01 . 1 . . . . 112 VAL HA . 17663 1 332 . 1 1 71 71 VAL HB H 1 1.980 0.01 . 1 . . . . 112 VAL HB . 17663 1 333 . 1 1 71 71 VAL C C 13 177.200 0.1 . 1 . . . . 112 VAL C . 17663 1 334 . 1 1 71 71 VAL CA C 13 64.020 0.1 . 1 . . . . 112 VAL CA . 17663 1 335 . 1 1 71 71 VAL CB C 13 32.400 0.1 . 1 . . . . 112 VAL CB . 17663 1 336 . 1 1 71 71 VAL N N 15 120.269 0.1 . 1 . . . . 112 VAL N . 17663 1 337 . 1 1 72 72 ARG H H 1 8.007 0.01 . 1 . . . . 113 ARG H . 17663 1 338 . 1 1 72 72 ARG HA H 1 4.170 0.01 . 1 . . . . 113 ARG HA . 17663 1 339 . 1 1 72 72 ARG HB2 H 1 1.800 0.01 . 1 . . . . 113 ARG HB2 . 17663 1 340 . 1 1 72 72 ARG C C 13 177.360 0.1 . 1 . . . . 113 ARG C . 17663 1 341 . 1 1 72 72 ARG CA C 13 57.450 0.1 . 1 . . . . 113 ARG CA . 17663 1 342 . 1 1 72 72 ARG CB C 13 29.900 0.1 . 1 . . . . 113 ARG CB . 17663 1 343 . 1 1 72 72 ARG N N 15 123.036 0.1 . 1 . . . . 113 ARG N . 17663 1 344 . 1 1 73 73 GLU H H 1 8.227 0.01 . 1 . . . . 114 GLU H . 17663 1 345 . 1 1 73 73 GLU HA H 1 4.130 0.01 . 1 . . . . 114 GLU HA . 17663 1 346 . 1 1 73 73 GLU HB2 H 1 2.240 0.01 . 1 . . . . 114 GLU HB2 . 17663 1 347 . 1 1 73 73 GLU C C 13 177.140 0.1 . 1 . . . . 114 GLU C . 17663 1 348 . 1 1 73 73 GLU CA C 13 57.700 0.1 . 1 . . . . 114 GLU CA . 17663 1 349 . 1 1 73 73 GLU CB C 13 29.800 0.1 . 1 . . . . 114 GLU CB . 17663 1 350 . 1 1 73 73 GLU N N 15 121.058 0.1 . 1 . . . . 114 GLU N . 17663 1 351 . 1 1 74 74 ALA H H 1 8.096 0.01 . 1 . . . . 115 ALA H . 17663 1 352 . 1 1 74 74 ALA HA H 1 4.200 0.01 . 1 . . . . 115 ALA HA . 17663 1 353 . 1 1 74 74 ALA HB1 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 354 . 1 1 74 74 ALA HB2 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 355 . 1 1 74 74 ALA HB3 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 356 . 1 1 74 74 ALA C C 13 178.470 0.1 . 1 . . . . 115 ALA C . 17663 1 357 . 1 1 74 74 ALA CA C 13 53.400 0.1 . 1 . . . . 115 ALA CA . 17663 1 358 . 1 1 74 74 ALA CB C 13 19.000 0.1 . 1 . . . . 115 ALA CB . 17663 1 359 . 1 1 74 74 ALA N N 15 123.707 0.1 . 1 . . . . 115 ALA N . 17663 1 360 . 1 1 75 75 ALA H H 1 8.000 0.01 . 1 . . . . 116 ALA H . 17663 1 361 . 1 1 75 75 ALA HA H 1 4.200 0.01 . 1 . . . . 116 ALA HA . 17663 1 362 . 1 1 75 75 ALA HB1 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 363 . 1 1 75 75 ALA HB2 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 364 . 1 1 75 75 ALA HB3 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 365 . 1 1 75 75 ALA C C 13 178.200 0.1 . 1 . . . . 116 ALA C . 17663 1 366 . 1 1 75 75 ALA CA C 13 53.200 0.1 . 1 . . . . 116 ALA CA . 17663 1 367 . 1 1 75 75 ALA CB C 13 18.800 0.1 . 1 . . . . 116 ALA CB . 17663 1 368 . 1 1 75 75 ALA N N 15 121.797 0.1 . 1 . . . . 116 ALA N . 17663 1 369 . 1 1 76 76 ALA H H 1 7.931 0.01 . 1 . . . . 117 ALA H . 17663 1 370 . 1 1 76 76 ALA HA H 1 4.220 0.01 . 1 . . . . 117 ALA HA . 17663 1 371 . 1 1 76 76 ALA HB1 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 372 . 1 1 76 76 ALA HB2 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 373 . 1 1 76 76 ALA HB3 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 374 . 1 1 76 76 ALA C C 13 178.040 0.1 . 1 . . . . 117 ALA C . 17663 1 375 . 1 1 76 76 ALA CA C 13 52.920 0.1 . 1 . . . . 117 ALA CA . 17663 1 376 . 1 1 76 76 ALA CB C 13 18.950 0.1 . 1 . . . . 117 ALA CB . 17663 1 377 . 1 1 76 76 ALA N N 15 121.680 0.1 . 1 . . . . 117 ALA N . 17663 1 378 . 1 1 77 77 GLN H H 1 7.983 0.01 . 1 . . . . 118 GLN H . 17663 1 379 . 1 1 77 77 GLN HA H 1 4.250 0.01 . 1 . . . . 118 GLN HA . 17663 1 380 . 1 1 77 77 GLN HB2 H 1 1.990 0.01 . 1 . . . . 118 GLN HB2 . 17663 1 381 . 1 1 77 77 GLN C C 13 176.000 0.1 . 1 . . . . 118 GLN C . 17663 1 382 . 1 1 77 77 GLN CA C 13 55.990 0.1 . 1 . . . . 118 GLN CA . 17663 1 383 . 1 1 77 77 GLN CB C 13 29.200 0.1 . 1 . . . . 118 GLN CB . 17663 1 384 . 1 1 77 77 GLN N N 15 118.001 0.1 . 1 . . . . 118 GLN N . 17663 1 385 . 1 1 78 78 ARG H H 1 8.089 0.01 . 1 . . . . 119 ARG H . 17663 1 386 . 1 1 78 78 ARG HA H 1 4.290 0.01 . 1 . . . . 119 ARG HA . 17663 1 387 . 1 1 78 78 ARG HB2 H 1 1.760 0.01 . 1 . . . . 119 ARG HB2 . 17663 1 388 . 1 1 78 78 ARG C C 13 176.000 0.1 . 1 . . . . 119 ARG C . 17663 1 389 . 1 1 78 78 ARG CA C 13 56.200 0.1 . 1 . . . . 119 ARG CA . 17663 1 390 . 1 1 78 78 ARG CB C 13 30.800 0.1 . 1 . . . . 119 ARG CB . 17663 1 391 . 1 1 78 78 ARG N N 15 121.473 0.1 . 1 . . . . 119 ARG N . 17663 1 392 . 1 1 79 79 ARG H H 1 8.271 0.01 . 1 . . . . 120 ARG H . 17663 1 393 . 1 1 79 79 ARG HA H 1 4.590 0.01 . 1 . . . . 120 ARG HA . 17663 1 394 . 1 1 79 79 ARG HB2 H 1 1.690 0.01 . 1 . . . . 120 ARG HB2 . 17663 1 395 . 1 1 79 79 ARG C C 13 174.130 0.1 . 1 . . . . 120 ARG C . 17663 1 396 . 1 1 79 79 ARG CA C 13 54.000 0.1 . 1 . . . . 120 ARG CA . 17663 1 397 . 1 1 79 79 ARG CB C 13 30.230 0.1 . 1 . . . . 120 ARG CB . 17663 1 398 . 1 1 79 79 ARG N N 15 123.317 0.1 . 1 . . . . 120 ARG N . 17663 1 399 . 1 1 80 80 PRO C C 13 176.840 0.1 . 1 . . . . 121 PRO C . 17663 1 400 . 1 1 80 80 PRO CA C 13 63.100 0.1 . 1 . . . . 121 PRO CA . 17663 1 401 . 1 1 80 80 PRO CB C 13 31.700 0.1 . 1 . . . . 121 PRO CB . 17663 1 402 . 1 1 81 81 SER H H 1 8.403 0.01 . 1 . . . . 122 SER H . 17663 1 403 . 1 1 81 81 SER HA H 1 4.370 0.01 . 1 . . . . 122 SER HA . 17663 1 404 . 1 1 81 81 SER HB2 H 1 3.820 0.01 . 1 . . . . 122 SER HB2 . 17663 1 405 . 1 1 81 81 SER C C 13 174.200 0.1 . 1 . . . . 122 SER C . 17663 1 406 . 1 1 81 81 SER CA C 13 58.340 0.1 . 1 . . . . 122 SER CA . 17663 1 407 . 1 1 81 81 SER CB C 13 64.000 0.1 . 1 . . . . 122 SER CB . 17663 1 408 . 1 1 81 81 SER N N 15 116.602 0.1 . 1 . . . . 122 SER N . 17663 1 409 . 1 1 82 82 ARG H H 1 8.240 0.01 . 1 . . . . 123 ARG H . 17663 1 410 . 1 1 82 82 ARG HA H 1 4.600 0.01 . 1 . . . . 123 ARG HA . 17663 1 411 . 1 1 82 82 ARG HB2 H 1 1.650 0.01 . 1 . . . . 123 ARG HB2 . 17663 1 412 . 1 1 82 82 ARG C C 13 174.070 0.1 . 1 . . . . 123 ARG C . 17663 1 413 . 1 1 82 82 ARG CA C 13 53.960 0.1 . 1 . . . . 123 ARG CA . 17663 1 414 . 1 1 82 82 ARG CB C 13 29.800 0.1 . 1 . . . . 123 ARG CB . 17663 1 415 . 1 1 82 82 ARG N N 15 123.301 0.1 . 1 . . . . 123 ARG N . 17663 1 416 . 1 1 83 83 PRO C C 13 176.440 0.1 . 1 . . . . 124 PRO C . 17663 1 417 . 1 1 83 83 PRO CA C 13 63.160 0.1 . 1 . . . . 124 PRO CA . 17663 1 418 . 1 1 83 83 PRO CB C 13 31.920 0.1 . 1 . . . . 124 PRO CB . 17663 1 419 . 1 1 84 84 PHE H H 1 8.249 0.01 . 1 . . . . 125 PHE H . 17663 1 420 . 1 1 84 84 PHE HA H 1 4.550 0.01 . 1 . . . . 125 PHE HA . 17663 1 421 . 1 1 84 84 PHE HB2 H 1 3.030 0.01 . 1 . . . . 125 PHE HB . 17663 1 422 . 1 1 84 84 PHE HB3 H 1 3.030 0.01 . 1 . . . . 125 PHE HB . 17663 1 423 . 1 1 84 84 PHE C C 13 175.350 0.1 . 1 . . . . 125 PHE C . 17663 1 424 . 1 1 84 84 PHE CA C 13 57.850 0.1 . 1 . . . . 125 PHE CA . 17663 1 425 . 1 1 84 84 PHE CB C 13 39.620 0.1 . 1 . . . . 125 PHE CB . 17663 1 426 . 1 1 84 84 PHE N N 15 120.831 0.1 . 1 . . . . 125 PHE N . 17663 1 427 . 1 1 85 85 ARG H H 1 8.034 0.01 . 1 . . . . 126 ARG H . 17663 1 428 . 1 1 85 85 ARG HA H 1 4.250 0.01 . 1 . . . . 126 ARG HA . 17663 1 429 . 1 1 85 85 ARG HB2 H 1 1.650 0.01 . 1 . . . . 126 ARG HB2 . 17663 1 430 . 1 1 85 85 ARG C C 13 175.200 0.1 . 1 . . . . 126 ARG C . 17663 1 431 . 1 1 85 85 ARG CA C 13 55.460 0.1 . 1 . . . . 126 ARG CA . 17663 1 432 . 1 1 85 85 ARG CB C 13 31.130 0.1 . 1 . . . . 126 ARG CB . 17663 1 433 . 1 1 85 85 ARG N N 15 123.657 0.1 . 1 . . . . 126 ARG N . 17663 1 434 . 1 1 86 86 LYS H H 1 8.244 0.01 . 1 . . . . 127 LYS H . 17663 1 435 . 1 1 86 86 LYS HA H 1 4.400 0.01 . 1 . . . . 127 LYS HA . 17663 1 436 . 1 1 86 86 LYS HB2 H 1 1.670 0.01 . 1 . . . . 127 LYS HB2 . 17663 1 437 . 1 1 86 86 LYS C C 13 174.580 0.1 . 1 . . . . 127 LYS C . 17663 1 438 . 1 1 86 86 LYS CA C 13 54.510 0.1 . 1 . . . . 127 LYS CA . 17663 1 439 . 1 1 86 86 LYS CB C 13 32.420 0.1 . 1 . . . . 127 LYS CB . 17663 1 440 . 1 1 86 86 LYS N N 15 124.400 0.1 . 1 . . . . 127 LYS N . 17663 1 441 . 1 1 87 87 PRO C C 13 176.620 0.1 . 1 . . . . 128 PRO C . 17663 1 442 . 1 1 87 87 PRO CA C 13 63.250 0.1 . 1 . . . . 128 PRO CA . 17663 1 443 . 1 1 87 87 PRO CB C 13 31.890 0.1 . 1 . . . . 128 PRO CB . 17663 1 444 . 1 1 88 88 TYR H H 1 8.141 0.01 . 1 . . . . 129 TYR H . 17663 1 445 . 1 1 88 88 TYR HA H 1 4.500 0.01 . 1 . . . . 129 TYR HA . 17663 1 446 . 1 1 88 88 TYR HB2 H 1 2.940 0.01 . 1 . . . . 129 TYR HB2 . 17663 1 447 . 1 1 88 88 TYR C C 13 175.620 0.1 . 1 . . . . 129 TYR C . 17663 1 448 . 1 1 88 88 TYR CA C 13 57.960 0.1 . 1 . . . . 129 TYR CA . 17663 1 449 . 1 1 88 88 TYR CB C 13 38.770 0.1 . 1 . . . . 129 TYR CB . 17663 1 450 . 1 1 88 88 TYR N N 15 120.461 0.1 . 1 . . . . 129 TYR N . 17663 1 451 . 1 1 89 89 SER H H 1 7.969 0.01 . 1 . . . . 130 SER H . 17663 1 452 . 1 1 89 89 SER HA H 1 4.350 0.01 . 1 . . . . 130 SER HA . 17663 1 453 . 1 1 89 89 SER HB2 H 1 3.690 0.01 . 1 . . . . 130 SER HB2 . 17663 1 454 . 1 1 89 89 SER C C 13 176.000 0.1 . 1 . . . . 130 SER C . 17663 1 455 . 1 1 89 89 SER CA C 13 57.900 0.1 . 1 . . . . 130 SER CA . 17663 1 456 . 1 1 89 89 SER CB C 13 64.150 0.1 . 1 . . . . 130 SER CB . 17663 1 457 . 1 1 89 89 SER N N 15 118.064 0.1 . 1 . . . . 130 SER N . 17663 1 458 . 1 1 90 90 HIS H H 1 8.232 0.01 . 1 . . . . 131 HIS H . 17663 1 459 . 1 1 90 90 HIS HA H 1 4.270 0.01 . 1 . . . . 131 HIS HA . 17663 1 460 . 1 1 90 90 HIS HB2 H 1 3.090 0.01 . 1 . . . . 131 HIS HB2 . 17663 1 461 . 1 1 90 90 HIS N N 15 122.200 0.1 . 1 . . . . 131 HIS N . 17663 1 462 . 1 1 91 91 PRO C C 13 177.010 0.1 . 1 . . . . 132 PRO C . 17663 1 463 . 1 1 91 91 PRO CA C 13 63.430 0.1 . 1 . . . . 132 PRO CA . 17663 1 464 . 1 1 91 91 PRO CB C 13 32.040 0.1 . 1 . . . . 132 PRO CB . 17663 1 465 . 1 1 92 92 ARG H H 1 8.685 0.01 . 1 . . . . 133 ARG H . 17663 1 466 . 1 1 92 92 ARG HA H 1 4.310 0.01 . 1 . . . . 133 ARG HA . 17663 1 467 . 1 1 92 92 ARG HB2 H 1 1.790 0.01 . 1 . . . . 133 ARG HB2 . 17663 1 468 . 1 1 92 92 ARG C C 13 176.120 0.1 . 1 . . . . 133 ARG C . 17663 1 469 . 1 1 92 92 ARG CA C 13 56.360 0.1 . 1 . . . . 133 ARG CA . 17663 1 470 . 1 1 92 92 ARG CB C 13 30.700 0.1 . 1 . . . . 133 ARG CB . 17663 1 471 . 1 1 92 92 ARG N N 15 121.606 0.1 . 1 . . . . 133 ARG N . 17663 1 472 . 1 1 93 93 ASN H H 1 8.401 0.01 . 1 . . . . 134 ASN H . 17663 1 473 . 1 1 93 93 ASN HA H 1 4.660 0.01 . 1 . . . . 134 ASN HA . 17663 1 474 . 1 1 93 93 ASN HB2 H 1 2.760 0.01 . 1 . . . . 134 ASN HB2 . 17663 1 475 . 1 1 93 93 ASN C C 13 175.160 0.1 . 1 . . . . 134 ASN C . 17663 1 476 . 1 1 93 93 ASN CA C 13 53.100 0.1 . 1 . . . . 134 ASN CA . 17663 1 477 . 1 1 93 93 ASN CB C 13 39.250 0.1 . 1 . . . . 134 ASN CB . 17663 1 478 . 1 1 93 93 ASN N N 15 119.336 0.1 . 1 . . . . 134 ASN N . 17663 1 479 . 1 1 94 94 GLY H H 1 8.115 0.01 . 1 . . . . 135 GLY H . 17663 1 480 . 1 1 94 94 GLY HA2 H 1 4.060 0.01 . 1 . . . . 135 GLY HA2 . 17663 1 481 . 1 1 94 94 GLY C C 13 173.660 0.1 . 1 . . . . 135 GLY C . 17663 1 482 . 1 1 94 94 GLY CA C 13 44.790 0.1 . 1 . . . . 135 GLY CA . 17663 1 483 . 1 1 94 94 GLY N N 15 109.202 0.1 . 1 . . . . 135 GLY N . 17663 1 484 . 1 1 95 95 PRO C C 13 177.050 0.1 . 1 . . . . 136 PRO C . 17663 1 485 . 1 1 95 95 PRO CA C 13 63.240 0.1 . 1 . . . . 136 PRO CA . 17663 1 486 . 1 1 95 95 PRO CB C 13 32.150 0.1 . 1 . . . . 136 PRO CB . 17663 1 487 . 1 1 96 96 LEU H H 1 8.288 0.01 . 1 . . . . 137 LEU H . 17663 1 488 . 1 1 96 96 LEU HA H 1 4.270 0.01 . 1 . . . . 137 LEU HA . 17663 1 489 . 1 1 96 96 LEU HB2 H 1 1.570 0.01 . 1 . . . . 137 LEU HB2 . 17663 1 490 . 1 1 96 96 LEU C C 13 177.490 0.1 . 1 . . . . 137 LEU C . 17663 1 491 . 1 1 96 96 LEU CA C 13 55.320 0.1 . 1 . . . . 137 LEU CA . 17663 1 492 . 1 1 96 96 LEU CB C 13 42.160 0.1 . 1 . . . . 137 LEU CB . 17663 1 493 . 1 1 96 96 LEU N N 15 121.837 0.1 . 1 . . . . 137 LEU N . 17663 1 494 . 1 1 97 97 ARG H H 1 8.268 0.01 . 1 . . . . 138 ARG H . 17663 1 495 . 1 1 97 97 ARG HA H 1 4.290 0.01 . 1 . . . . 138 ARG HA . 17663 1 496 . 1 1 97 97 ARG HB2 H 1 1.740 0.01 . 1 . . . . 138 ARG HB2 . 17663 1 497 . 1 1 97 97 ARG C C 13 175.930 0.1 . 1 . . . . 138 ARG C . 17663 1 498 . 1 1 97 97 ARG CA C 13 56.030 0.1 . 1 . . . . 138 ARG CA . 17663 1 499 . 1 1 97 97 ARG CB C 13 30.580 0.1 . 1 . . . . 138 ARG CB . 17663 1 500 . 1 1 97 97 ARG N N 15 121.708 0.1 . 1 . . . . 138 ARG N . 17663 1 501 . 1 1 98 98 ASN H H 1 8.411 0.01 . 1 . . . . 139 ASN H . 17663 1 502 . 1 1 98 98 ASN HA H 1 4.670 0.01 . 1 . . . . 139 ASN HA . 17663 1 503 . 1 1 98 98 ASN HB2 H 1 2.770 0.01 . 1 . . . . 139 ASN HB2 . 17663 1 504 . 1 1 98 98 ASN C C 13 175.700 0.1 . 1 . . . . 139 ASN C . 17663 1 505 . 1 1 98 98 ASN CA C 13 53.420 0.1 . 1 . . . . 139 ASN CA . 17663 1 506 . 1 1 98 98 ASN CB C 13 38.910 0.1 . 1 . . . . 139 ASN CB . 17663 1 507 . 1 1 98 98 ASN N N 15 119.542 0.1 . 1 . . . . 139 ASN N . 17663 1 508 . 1 1 99 99 GLY H H 1 8.415 0.01 . 1 . . . . 140 GLY H . 17663 1 509 . 1 1 99 99 GLY HA2 H 1 3.930 0.01 . 1 . . . . 140 GLY HA2 . 17663 1 510 . 1 1 99 99 GLY C C 13 174.190 0.1 . 1 . . . . 140 GLY C . 17663 1 511 . 1 1 99 99 GLY CA C 13 45.540 0.1 . 1 . . . . 140 GLY CA . 17663 1 512 . 1 1 99 99 GLY N N 15 109.346 0.1 . 1 . . . . 140 GLY N . 17663 1 513 . 1 1 100 100 LEU H H 1 8.014 0.01 . 1 . . . . 141 LEU H . 17663 1 514 . 1 1 100 100 LEU HA H 1 4.270 0.01 . 1 . . . . 141 LEU HA . 17663 1 515 . 1 1 100 100 LEU HB2 H 1 1.540 0.01 . 1 . . . . 141 LEU HB2 . 17663 1 516 . 1 1 100 100 LEU C C 13 177.440 0.1 . 1 . . . . 141 LEU C . 17663 1 517 . 1 1 100 100 LEU CA C 13 55.230 0.1 . 1 . . . . 141 LEU CA . 17663 1 518 . 1 1 100 100 LEU CB C 13 42.300 0.1 . 1 . . . . 141 LEU CB . 17663 1 519 . 1 1 100 100 LEU N N 15 121.110 0.1 . 1 . . . . 141 LEU N . 17663 1 520 . 1 1 101 101 GLU H H 1 8.394 0.01 . 1 . . . . 142 GLU H . 17663 1 521 . 1 1 101 101 GLU HA H 1 4.150 0.01 . 1 . . . . 142 GLU HA . 17663 1 522 . 1 1 101 101 GLU HB2 H 1 2.120 0.01 . 1 . . . . 142 GLU HB2 . 17663 1 523 . 1 1 101 101 GLU C C 13 176.220 0.1 . 1 . . . . 142 GLU C . 17663 1 524 . 1 1 101 101 GLU CA C 13 56.780 0.1 . 1 . . . . 142 GLU CA . 17663 1 525 . 1 1 101 101 GLU CB C 13 30.010 0.1 . 1 . . . . 142 GLU CB . 17663 1 526 . 1 1 101 101 GLU N N 15 120.849 0.1 . 1 . . . . 142 GLU N . 17663 1 stop_ save_