################################### # 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 16850 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standart _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /home/nmr/Thrx_Norway/Trx_C35S.str' _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/HMQC' . . . 16850 1 2 'CBCANH (h{CA|Cca}NH)' . . . 16850 1 3 '3D CBCA(CO)NH' . . . 16850 1 4 '3D HNCA' . . . 16850 1 5 '3D HBHA(CO)NH' . . . 16850 1 6 'HBHANH (H{ca|cca}NH)' . . . 16850 1 7 '2D 1H-13C HSQC/HMQC' . . . 16850 1 8 '3D 1H-15N NOESY' . . . 16850 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 $CcpNmr_Analysis_2.1 . . 16850 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.Ambiguity_set_ID _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 LYS H H 1 8.330 . . 1 . . . . . 3 LYS H . 16850 1 2 . 1 1 3 3 LYS HA H 1 4.230 . . 1 . . . . . 3 LYS HA . 16850 1 3 . 1 1 3 3 LYS CA C 13 55.650 . . 1 . . . . . 3 LYS CA . 16850 1 4 . 1 1 3 3 LYS CB C 13 33.280 . . 1 . . . . . 3 LYS CB . 16850 1 5 . 1 1 3 3 LYS N N 15 128.720 . . 1 . . . . . 3 LYS N . 16850 1 6 . 1 1 4 4 GLN H H 1 8.760 . . 1 . . . . . 4 GLN H . 16850 1 7 . 1 1 4 4 GLN HA H 1 4.330 . . 1 . . . . . 4 GLN HA . 16850 1 8 . 1 1 4 4 GLN CA C 13 54.910 . . 1 . . . . . 4 GLN CA . 16850 1 9 . 1 1 4 4 GLN CB C 13 28.250 . . 1 . . . . . 4 GLN CB . 16850 1 10 . 1 1 4 4 GLN N N 15 127.800 . . 1 . . . . . 4 GLN N . 16850 1 11 . 1 1 5 5 ILE H H 1 8.720 . . 1 . . . . . 5 ILE H . 16850 1 12 . 1 1 5 5 ILE HA H 1 3.970 . . 1 . . . . . 5 ILE HA . 16850 1 13 . 1 1 5 5 ILE HB H 1 1.930 . . 1 . . . . . 5 ILE HB . 16850 1 14 . 1 1 5 5 ILE CA C 13 57.460 . . 1 . . . . . 5 ILE CA . 16850 1 15 . 1 1 5 5 ILE CB C 13 36.000 . . 1 . . . . . 5 ILE CB . 16850 1 16 . 1 1 5 5 ILE N N 15 128.600 . . 1 . . . . . 5 ILE N . 16850 1 17 . 1 1 6 6 GLU H H 1 8.990 . . 1 . . . . . 6 GLU H . 16850 1 18 . 1 1 6 6 GLU HA H 1 4.210 . . 1 . . . . . 6 GLU HA . 16850 1 19 . 1 1 6 6 GLU CA C 13 56.200 . . 1 . . . . . 6 GLU CA . 16850 1 20 . 1 1 6 6 GLU CB C 13 30.780 . . 1 . . . . . 6 GLU CB . 16850 1 21 . 1 1 6 6 GLU N N 15 124.270 . . 1 . . . . . 6 GLU N . 16850 1 22 . 1 1 7 7 SER H H 1 7.380 . . 1 . . . . . 7 SER H . 16850 1 23 . 1 1 7 7 SER HA H 1 4.530 . . 1 . . . . . 7 SER HA . 16850 1 24 . 1 1 7 7 SER HB2 H 1 3.810 . . 2 . . . . . 7 SER HB2 . 16850 1 25 . 1 1 7 7 SER HB3 H 1 3.960 . . 2 . . . . . 7 SER HB3 . 16850 1 26 . 1 1 7 7 SER CA C 13 57.320 . . 1 . . . . . 7 SER CA . 16850 1 27 . 1 1 7 7 SER CB C 13 66.370 . . 1 . . . . . 7 SER CB . 16850 1 28 . 1 1 7 7 SER N N 15 112.420 . . 1 . . . . . 7 SER N . 16850 1 29 . 1 1 8 8 LYS H H 1 9.400 . . 1 . . . . . 8 LYS H . 16850 1 30 . 1 1 8 8 LYS HA H 1 3.610 . . 1 . . . . . 8 LYS HA . 16850 1 31 . 1 1 8 8 LYS CA C 13 59.700 . . 1 . . . . . 8 LYS CA . 16850 1 32 . 1 1 8 8 LYS CB C 13 31.800 . . 1 . . . . . 8 LYS CB . 16850 1 33 . 1 1 8 8 LYS N N 15 123.000 . . 1 . . . . . 8 LYS N . 16850 1 34 . 1 1 9 9 THR H H 1 8.220 . . 1 . . . . . 9 THR H . 16850 1 35 . 1 1 9 9 THR HA H 1 3.680 . . 1 . . . . . 9 THR HA . 16850 1 36 . 1 1 9 9 THR CA C 13 66.400 . . 1 . . . . . 9 THR CA . 16850 1 37 . 1 1 9 9 THR CB C 13 68.300 . . 1 . . . . . 9 THR CB . 16850 1 38 . 1 1 9 9 THR N N 15 116.300 . . 1 . . . . . 9 THR N . 16850 1 39 . 1 1 10 10 ALA H H 1 7.960 . . 1 . . . . . 10 ALA H . 16850 1 40 . 1 1 10 10 ALA HA H 1 3.900 . . 1 . . . . . 10 ALA HA . 16850 1 41 . 1 1 10 10 ALA HB1 H 1 1.300 . . 1 . . . . . 10 ALA HB1 . 16850 1 42 . 1 1 10 10 ALA HB2 H 1 1.300 . . 1 . . . . . 10 ALA HB2 . 16850 1 43 . 1 1 10 10 ALA HB3 H 1 1.300 . . 1 . . . . . 10 ALA HB3 . 16850 1 44 . 1 1 10 10 ALA CA C 13 54.600 . . 1 . . . . . 10 ALA CA . 16850 1 45 . 1 1 10 10 ALA CB C 13 18.400 . . 1 . . . . . 10 ALA CB . 16850 1 46 . 1 1 10 10 ALA N N 15 124.500 . . 1 . . . . . 10 ALA N . 16850 1 47 . 1 1 11 11 PHE H H 1 8.100 . . 1 . . . . . 11 PHE H . 16850 1 48 . 1 1 11 11 PHE HA H 1 3.720 . . 1 . . . . . 11 PHE HA . 16850 1 49 . 1 1 11 11 PHE HB2 H 1 2.780 . . 2 . . . . . 11 PHE HB2 . 16850 1 50 . 1 1 11 11 PHE HB3 H 1 3.100 . . 2 . . . . . 11 PHE HB3 . 16850 1 51 . 1 1 11 11 PHE CA C 13 61.300 . . 1 . . . . . 11 PHE CA . 16850 1 52 . 1 1 11 11 PHE CB C 13 38.900 . . 1 . . . . . 11 PHE CB . 16850 1 53 . 1 1 11 11 PHE N N 15 121.700 . . 1 . . . . . 11 PHE N . 16850 1 54 . 1 1 12 12 GLN H H 1 8.150 . . 1 . . . . . 12 GLN H . 16850 1 55 . 1 1 12 12 GLN HA H 1 3.260 . . 1 . . . . . 12 GLN HA . 16850 1 56 . 1 1 12 12 GLN HB2 H 1 1.840 . . 1 . . . . . 12 GLN HB2 . 16850 1 57 . 1 1 12 12 GLN HB3 H 1 1.840 . . 1 . . . . . 12 GLN HB3 . 16850 1 58 . 1 1 12 12 GLN CA C 13 58.440 . . 1 . . . . . 12 GLN CA . 16850 1 59 . 1 1 12 12 GLN CB C 13 27.960 . . 1 . . . . . 12 GLN CB . 16850 1 60 . 1 1 12 12 GLN N N 15 118.290 . . 1 . . . . . 12 GLN N . 16850 1 61 . 1 1 13 13 GLU H H 1 8.270 . . 1 . . . . . 13 GLU H . 16850 1 62 . 1 1 13 13 GLU HA H 1 3.680 . . 1 . . . . . 13 GLU HA . 16850 1 63 . 1 1 13 13 GLU CA C 13 59.200 . . 1 . . . . . 13 GLU CA . 16850 1 64 . 1 1 13 13 GLU CB C 13 29.100 . . 1 . . . . . 13 GLU CB . 16850 1 65 . 1 1 13 13 GLU N N 15 118.400 . . 1 . . . . . 13 GLU N . 16850 1 66 . 1 1 14 14 ALA H H 1 7.800 . . 1 . . . . . 14 ALA H . 16850 1 67 . 1 1 14 14 ALA HA H 1 3.760 . . 1 . . . . . 14 ALA HA . 16850 1 68 . 1 1 14 14 ALA HB1 H 1 1.010 . . 1 . . . . . 14 ALA HB1 . 16850 1 69 . 1 1 14 14 ALA HB2 H 1 1.010 . . 1 . . . . . 14 ALA HB2 . 16850 1 70 . 1 1 14 14 ALA HB3 H 1 1.010 . . 1 . . . . . 14 ALA HB3 . 16850 1 71 . 1 1 14 14 ALA CA C 13 54.600 . . 1 . . . . . 14 ALA CA . 16850 1 72 . 1 1 14 14 ALA CB C 13 18.010 . . 1 . . . . . 14 ALA CB . 16850 1 73 . 1 1 14 14 ALA N N 15 122.590 . . 1 . . . . . 14 ALA N . 16850 1 74 . 1 1 15 15 LEU H H 1 8.000 . . 1 . . . . . 15 LEU H . 16850 1 75 . 1 1 15 15 LEU HA H 1 3.420 . . 1 . . . . . 15 LEU HA . 16850 1 76 . 1 1 15 15 LEU CA C 13 67.250 . . 1 . . . . . 15 LEU CA . 16850 1 77 . 1 1 15 15 LEU CB C 13 46.340 . . 1 . . . . . 15 LEU CB . 16850 1 78 . 1 1 15 15 LEU N N 15 116.510 . . 1 . . . . . 15 LEU N . 16850 1 79 . 1 1 16 16 ASP H H 1 8.140 . . 1 . . . . . 16 ASP H . 16850 1 80 . 1 1 16 16 ASP HA H 1 4.020 . . 1 . . . . . 16 ASP HA . 16850 1 81 . 1 1 16 16 ASP CA C 13 56.920 . . 1 . . . . . 16 ASP CA . 16850 1 82 . 1 1 16 16 ASP CB C 13 40.400 . . 1 . . . . . 16 ASP CB . 16850 1 83 . 1 1 16 16 ASP N N 15 120.700 . . 1 . . . . . 16 ASP N . 16850 1 84 . 1 1 17 17 ALA H H 1 8.156 . . 1 . . . . . 17 ALA H . 16850 1 85 . 1 1 17 17 ALA HA H 1 3.870 . . 1 . . . . . 17 ALA HA . 16850 1 86 . 1 1 17 17 ALA HB1 H 1 1.140 . . 1 . . . . . 17 ALA HB1 . 16850 1 87 . 1 1 17 17 ALA HB2 H 1 1.140 . . 1 . . . . . 17 ALA HB2 . 16850 1 88 . 1 1 17 17 ALA HB3 H 1 1.140 . . 1 . . . . . 17 ALA HB3 . 16850 1 89 . 1 1 17 17 ALA CA C 13 53.200 . . 1 . . . . . 17 ALA CA . 16850 1 90 . 1 1 17 17 ALA CB C 13 18.230 . . 1 . . . . . 17 ALA CB . 16850 1 91 . 1 1 17 17 ALA N N 15 122.250 . . 1 . . . . . 17 ALA N . 16850 1 92 . 1 1 18 18 ALA H H 1 7.140 . . 1 . . . . . 18 ALA H . 16850 1 93 . 1 1 18 18 ALA HA H 1 3.620 . . 1 . . . . . 18 ALA HA . 16850 1 94 . 1 1 18 18 ALA HB1 H 1 1.060 . . 1 . . . . . 18 ALA HB1 . 16850 1 95 . 1 1 18 18 ALA HB2 H 1 1.060 . . 1 . . . . . 18 ALA HB2 . 16850 1 96 . 1 1 18 18 ALA HB3 H 1 1.060 . . 1 . . . . . 18 ALA HB3 . 16850 1 97 . 1 1 18 18 ALA CA C 13 53.400 . . 1 . . . . . 18 ALA CA . 16850 1 98 . 1 1 18 18 ALA CB C 13 20.250 . . 1 . . . . . 18 ALA CB . 16850 1 99 . 1 1 18 18 ALA N N 15 119.500 . . 1 . . . . . 18 ALA N . 16850 1 100 . 1 1 19 19 GLY H H 1 7.580 . . 1 . . . . . 19 GLY H . 16850 1 101 . 1 1 19 19 GLY HA2 H 1 3.650 . . 2 . . . . . 19 GLY HA2 . 16850 1 102 . 1 1 19 19 GLY HA3 H 1 3.460 . . 2 . . . . . 19 GLY HA3 . 16850 1 103 . 1 1 19 19 GLY CA C 13 47.090 . . 1 . . . . . 19 GLY CA . 16850 1 104 . 1 1 19 19 GLY N N 15 106.750 . . 1 . . . . . 19 GLY N . 16850 1 105 . 1 1 20 20 ASP H H 1 9.061 . . 1 . . . . . 20 ASP H . 16850 1 106 . 1 1 20 20 ASP HA H 1 4.350 . . 1 . . . . . 20 ASP HA . 16850 1 107 . 1 1 20 20 ASP CA C 13 54.010 . . 1 . . . . . 20 ASP CA . 16850 1 108 . 1 1 20 20 ASP CB C 13 40.700 . . 1 . . . . . 20 ASP CB . 16850 1 109 . 1 1 20 20 ASP N N 15 129.600 . . 1 . . . . . 20 ASP N . 16850 1 110 . 1 1 21 21 LYS H H 1 7.810 . . 1 . . . . . 21 LYS H . 16850 1 111 . 1 1 21 21 LYS HA H 1 3.970 . . 1 . . . . . 21 LYS HA . 16850 1 112 . 1 1 21 21 LYS CA C 13 57.290 . . 1 . . . . . 21 LYS CA . 16850 1 113 . 1 1 21 21 LYS CB C 13 33.290 . . 1 . . . . . 21 LYS CB . 16850 1 114 . 1 1 21 21 LYS N N 15 120.217 . . 1 . . . . . 21 LYS N . 16850 1 115 . 1 1 22 22 LEU H H 1 8.730 . . 1 . . . . . 22 LEU H . 16850 1 116 . 1 1 22 22 LEU HA H 1 3.960 . . 1 . . . . . 22 LEU HA . 16850 1 117 . 1 1 22 22 LEU CA C 13 57.260 . . 1 . . . . . 22 LEU CA . 16850 1 118 . 1 1 22 22 LEU CB C 13 33.310 . . 1 . . . . . 22 LEU CB . 16850 1 119 . 1 1 22 22 LEU N N 15 123.540 . . 1 . . . . . 22 LEU N . 16850 1 120 . 1 1 23 23 VAL H H 1 8.920 . . 1 . . . . . 23 VAL H . 16850 1 121 . 1 1 23 23 VAL HA H 1 4.550 . . 1 . . . . . 23 VAL HA . 16850 1 122 . 1 1 23 23 VAL HB H 1 1.660 . . 1 . . . . . 23 VAL HB . 16850 1 123 . 1 1 23 23 VAL CA C 13 60.180 . . 1 . . . . . 23 VAL CA . 16850 1 124 . 1 1 23 23 VAL CB C 13 33.950 . . 1 . . . . . 23 VAL CB . 16850 1 125 . 1 1 23 23 VAL N N 15 126.500 . . 1 . . . . . 23 VAL N . 16850 1 126 . 1 1 24 24 VAL H H 1 9.185 . . 1 . . . . . 24 VAL H . 16850 1 127 . 1 1 24 24 VAL HA H 1 4.200 . . 1 . . . . . 24 VAL HA . 16850 1 128 . 1 1 24 24 VAL HB H 1 1.250 . . 1 . . . . . 24 VAL HB . 16850 1 129 . 1 1 24 24 VAL CA C 13 60.170 . . 1 . . . . . 24 VAL CA . 16850 1 130 . 1 1 24 24 VAL CB C 13 33.152 . . 1 . . . . . 24 VAL CB . 16850 1 131 . 1 1 24 24 VAL N N 15 127.550 . . 1 . . . . . 24 VAL N . 16850 1 132 . 1 1 25 25 VAL H H 1 9.250 . . 1 . . . . . 25 VAL H . 16850 1 133 . 1 1 25 25 VAL HA H 1 4.350 . . 1 . . . . . 25 VAL HA . 16850 1 134 . 1 1 25 25 VAL HB H 1 1.630 . . 1 . . . . . 25 VAL HB . 16850 1 135 . 1 1 25 25 VAL CA C 13 60.450 . . 1 . . . . . 25 VAL CA . 16850 1 136 . 1 1 25 25 VAL CB C 13 33.310 . . 1 . . . . . 25 VAL CB . 16850 1 137 . 1 1 25 25 VAL N N 15 127.600 . . 1 . . . . . 25 VAL N . 16850 1 138 . 1 1 26 26 ASP H H 1 8.410 . . 1 . . . . . 26 ASP H . 16850 1 139 . 1 1 26 26 ASP HA H 1 3.890 . . 1 . . . . . 26 ASP HA . 16850 1 140 . 1 1 26 26 ASP CA C 13 50.900 . . 1 . . . . . 26 ASP CA . 16850 1 141 . 1 1 26 26 ASP CB C 13 37.900 . . 1 . . . . . 26 ASP CB . 16850 1 142 . 1 1 26 26 ASP N N 15 124.290 . . 1 . . . . . 26 ASP N . 16850 1 143 . 1 1 27 27 PHE H H 1 8.340 . . 1 . . . . . 27 PHE H . 16850 1 144 . 1 1 27 27 PHE HA H 1 4.790 . . 1 . . . . . 27 PHE HA . 16850 1 145 . 1 1 27 27 PHE CA C 13 57.870 . . 1 . . . . . 27 PHE CA . 16850 1 146 . 1 1 27 27 PHE CB C 13 38.250 . . 1 . . . . . 27 PHE CB . 16850 1 147 . 1 1 27 27 PHE N N 15 126.420 . . 1 . . . . . 27 PHE N . 16850 1 148 . 1 1 28 28 SER H H 1 8.750 . . 1 . . . . . 28 SER H . 16850 1 149 . 1 1 28 28 SER HA H 1 4.230 . . 1 . . . . . 28 SER HA . 16850 1 150 . 1 1 28 28 SER CA C 13 55.670 . . 1 . . . . . 28 SER CA . 16850 1 151 . 1 1 28 28 SER CB C 13 67.450 . . 1 . . . . . 28 SER CB . 16850 1 152 . 1 1 28 28 SER N N 15 119.500 . . 1 . . . . . 28 SER N . 16850 1 153 . 1 1 29 29 ALA H H 1 6.880 . . 1 . . . . . 29 ALA H . 16850 1 154 . 1 1 29 29 ALA HA H 1 4.320 . . 1 . . . . . 29 ALA HA . 16850 1 155 . 1 1 29 29 ALA CA C 13 50.930 . . 1 . . . . . 29 ALA CA . 16850 1 156 . 1 1 29 29 ALA CB C 13 21.330 . . 1 . . . . . 29 ALA CB . 16850 1 157 . 1 1 29 29 ALA N N 15 117.420 . . 1 . . . . . 29 ALA N . 16850 1 158 . 1 1 30 30 THR H H 1 9.680 . . 1 . . . . . 30 THR H . 16850 1 159 . 1 1 30 30 THR HA H 1 3.500 . . 1 . . . . . 30 THR HA . 16850 1 160 . 1 1 30 30 THR HB H 1 4.320 . . 1 . . . . . 30 THR HB . 16850 1 161 . 1 1 30 30 THR CA C 13 64.710 . . 1 . . . . . 30 THR CA . 16850 1 162 . 1 1 30 30 THR CB C 13 69.116 . . 1 . . . . . 30 THR CB . 16850 1 163 . 1 1 30 30 THR N N 15 116.930 . . 1 . . . . . 30 THR N . 16850 1 164 . 1 1 31 31 TRP H H 1 6.490 . . 1 . . . . . 31 TRP H . 16850 1 165 . 1 1 31 31 TRP HA H 1 4.300 . . 1 . . . . . 31 TRP HA . 16850 1 166 . 1 1 31 31 TRP HB2 H 1 2.820 . . 2 . . . . . 31 TRP HB2 . 16850 1 167 . 1 1 31 31 TRP HB3 H 1 3.370 . . 2 . . . . . 31 TRP HB3 . 16850 1 168 . 1 1 31 31 TRP CA C 13 53.260 . . 1 . . . . . 31 TRP CA . 16850 1 169 . 1 1 31 31 TRP CB C 13 29.110 . . 1 . . . . . 31 TRP CB . 16850 1 170 . 1 1 31 31 TRP N N 15 115.150 . . 1 . . . . . 31 TRP N . 16850 1 171 . 1 1 32 32 CYS H H 1 6.590 . . 1 . . . . . 32 CYS H . 16850 1 172 . 1 1 32 32 CYS HA H 1 4.280 . . 1 . . . . . 32 CYS HA . 16850 1 173 . 1 1 32 32 CYS CA C 13 57.460 . . 1 . . . . . 32 CYS CA . 16850 1 174 . 1 1 32 32 CYS CB C 13 26.370 . . 1 . . . . . 32 CYS CB . 16850 1 175 . 1 1 32 32 CYS N N 15 123.230 . . 1 . . . . . 32 CYS N . 16850 1 176 . 1 1 33 33 GLY H H 1 9.430 . . 1 . . . . . 33 GLY H . 16850 1 177 . 1 1 33 33 GLY HA2 H 1 3.600 . . 2 . . . . . 33 GLY HA2 . 16850 1 178 . 1 1 33 33 GLY HA3 H 1 3.930 . . 2 . . . . . 33 GLY HA3 . 16850 1 179 . 1 1 33 33 GLY CA C 13 48.770 . . 1 . . . . . 33 GLY CA . 16850 1 180 . 1 1 33 33 GLY N N 15 120.270 . . 1 . . . . . 33 GLY N . 16850 1 181 . 1 1 35 35 SER H H 1 7.493 . . 1 . . . . . 35 SER H . 16850 1 182 . 1 1 35 35 SER HA H 1 4.240 . . 1 . . . . . 35 SER HA . 16850 1 183 . 1 1 35 35 SER HB2 H 1 1.427 . . 2 . . . . . 35 SER HB2 . 16850 1 184 . 1 1 35 35 SER HB3 H 1 1.000 . . 2 . . . . . 35 SER HB3 . 16850 1 185 . 1 1 35 35 SER CA C 13 57.294 . . 1 . . . . . 35 SER CA . 16850 1 186 . 1 1 35 35 SER CB C 13 66.224 . . 1 . . . . . 35 SER CB . 16850 1 187 . 1 1 35 35 SER N N 15 112.554 . . 1 . . . . . 35 SER N . 16850 1 188 . 1 1 36 36 LYS H H 1 7.530 . . 1 . . . . . 36 LYS H . 16850 1 189 . 1 1 36 36 LYS HA H 1 2.870 . . 1 . . . . . 36 LYS HA . 16850 1 190 . 1 1 36 36 LYS CA C 13 66.650 . . 1 . . . . . 36 LYS CA . 16850 1 191 . 1 1 36 36 LYS CB C 13 38.557 . . 1 . . . . . 36 LYS CB . 16850 1 192 . 1 1 36 36 LYS N N 15 121.460 . . 1 . . . . . 36 LYS N . 16850 1 193 . 1 1 37 37 MET H H 1 7.760 . . 1 . . . . . 37 MET H . 16850 1 194 . 1 1 37 37 MET HA H 1 3.940 . . 1 . . . . . 37 MET HA . 16850 1 195 . 1 1 37 37 MET HB2 H 1 2.490 . . 2 . . . . . 37 MET HB2 . 16850 1 196 . 1 1 37 37 MET HB3 H 1 2.370 . . 2 . . . . . 37 MET HB3 . 16850 1 197 . 1 1 37 37 MET CA C 13 56.850 . . 1 . . . . . 37 MET CA . 16850 1 198 . 1 1 37 37 MET CB C 13 38.810 . . 1 . . . . . 37 MET CB . 16850 1 199 . 1 1 37 37 MET N N 15 115.200 . . 1 . . . . . 37 MET N . 16850 1 200 . 1 1 38 38 ILE H H 1 7.620 . . 1 . . . . . 38 ILE H . 16850 1 201 . 1 1 38 38 ILE HA H 1 4.280 . . 1 . . . . . 38 ILE HA . 16850 1 202 . 1 1 38 38 ILE HB H 1 1.670 . . 1 . . . . . 38 ILE HB . 16850 1 203 . 1 1 38 38 ILE CA C 13 60.800 . . 1 . . . . . 38 ILE CA . 16850 1 204 . 1 1 38 38 ILE CB C 13 40.143 . . 1 . . . . . 38 ILE CB . 16850 1 205 . 1 1 38 38 ILE N N 15 117.080 . . 1 . . . . . 38 ILE N . 16850 1 206 . 1 1 39 39 LYS H H 1 7.467 . . 1 . . . . . 39 LYS H . 16850 1 207 . 1 1 39 39 LYS HA H 1 3.930 . . 1 . . . . . 39 LYS HA . 16850 1 208 . 1 1 39 39 LYS CA C 13 62.015 . . 1 . . . . . 39 LYS CA . 16850 1 209 . 1 1 39 39 LYS CB C 13 29.090 . . 1 . . . . . 39 LYS CB . 16850 1 210 . 1 1 39 39 LYS N N 15 125.614 . . 1 . . . . . 39 LYS N . 16850 1 211 . 1 1 41 41 PHE H H 1 7.500 . . 1 . . . . . 41 PHE H . 16850 1 212 . 1 1 41 41 PHE HA H 1 4.160 . . 1 . . . . . 41 PHE HA . 16850 1 213 . 1 1 41 41 PHE CA C 13 60.800 . . 1 . . . . . 41 PHE CA . 16850 1 214 . 1 1 41 41 PHE CB C 13 39.040 . . 1 . . . . . 41 PHE CB . 16850 1 215 . 1 1 41 41 PHE N N 15 120.730 . . 1 . . . . . 41 PHE N . 16850 1 216 . 1 1 42 42 PHE H H 1 8.580 . . 1 . . . . . 42 PHE H . 16850 1 217 . 1 1 42 42 PHE HA H 1 3.650 . . 1 . . . . . 42 PHE HA . 16850 1 218 . 1 1 42 42 PHE CA C 13 62.590 . . 1 . . . . . 42 PHE CA . 16850 1 219 . 1 1 42 42 PHE CB C 13 39.200 . . 1 . . . . . 42 PHE CB . 16850 1 220 . 1 1 42 42 PHE N N 15 123.100 . . 1 . . . . . 42 PHE N . 16850 1 221 . 1 1 43 43 HIS H H 1 8.340 . . 1 . . . . . 43 HIS H . 16850 1 222 . 1 1 43 43 HIS HA H 1 3.500 . . 1 . . . . . 43 HIS HA . 16850 1 223 . 1 1 43 43 HIS CA C 13 59.920 . . 1 . . . . . 43 HIS CA . 16850 1 224 . 1 1 43 43 HIS CB C 13 29.100 . . 1 . . . . . 43 HIS CB . 16850 1 225 . 1 1 43 43 HIS N N 15 115.800 . . 1 . . . . . 43 HIS N . 16850 1 226 . 1 1 44 44 SER H H 1 8.320 . . 1 . . . . . 44 SER H . 16850 1 227 . 1 1 44 44 SER HA H 1 3.830 . . 1 . . . . . 44 SER HA . 16850 1 228 . 1 1 44 44 SER CA C 13 61.880 . . 1 . . . . . 44 SER CA . 16850 1 229 . 1 1 44 44 SER CB C 13 62.620 . . 1 . . . . . 44 SER CB . 16850 1 230 . 1 1 44 44 SER N N 15 119.450 . . 1 . . . . . 44 SER N . 16850 1 231 . 1 1 45 45 LEU H H 1 8.024 . . 1 . . . . . 45 LEU H . 16850 1 232 . 1 1 45 45 LEU HA H 1 3.720 . . 1 . . . . . 45 LEU HA . 16850 1 233 . 1 1 45 45 LEU CA C 13 57.730 . . 1 . . . . . 45 LEU CA . 16850 1 234 . 1 1 45 45 LEU CB C 13 31.690 . . 1 . . . . . 45 LEU CB . 16850 1 235 . 1 1 45 45 LEU N N 15 117.710 . . 1 . . . . . 45 LEU N . 16850 1 236 . 1 1 46 46 SER H H 1 6.720 . . 1 . . . . . 46 SER H . 16850 1 237 . 1 1 46 46 SER HA H 1 5.100 . . 1 . . . . . 46 SER HA . 16850 1 238 . 1 1 46 46 SER CA C 13 59.970 . . 1 . . . . . 46 SER CA . 16850 1 239 . 1 1 46 46 SER CB C 13 62.660 . . 1 . . . . . 46 SER CB . 16850 1 240 . 1 1 46 46 SER N N 15 115.526 . . 1 . . . . . 46 SER N . 16850 1 241 . 1 1 47 47 GLU H H 1 6.770 . . 1 . . . . . 47 GLU H . 16850 1 242 . 1 1 47 47 GLU HA H 1 3.710 . . 1 . . . . . 47 GLU HA . 16850 1 243 . 1 1 47 47 GLU CA C 13 57.280 . . 1 . . . . . 47 GLU CA . 16850 1 244 . 1 1 47 47 GLU CB C 13 29.330 . . 1 . . . . . 47 GLU CB . 16850 1 245 . 1 1 47 47 GLU N N 15 119.470 . . 1 . . . . . 47 GLU N . 16850 1 246 . 1 1 48 48 LYS H H 1 7.140 . . 1 . . . . . 48 LYS H . 16850 1 247 . 1 1 48 48 LYS HA H 1 3.700 . . 1 . . . . . 48 LYS HA . 16850 1 248 . 1 1 48 48 LYS CA C 13 57.690 . . 1 . . . . . 48 LYS CA . 16850 1 249 . 1 1 48 48 LYS CB C 13 33.940 . . 1 . . . . . 48 LYS CB . 16850 1 250 . 1 1 48 48 LYS N N 15 120.050 . . 1 . . . . . 48 LYS N . 16850 1 251 . 1 1 49 49 TYR H H 1 7.890 . . 1 . . . . . 49 TYR H . 16850 1 252 . 1 1 49 49 TYR HA H 1 4.500 . . 1 . . . . . 49 TYR HA . 16850 1 253 . 1 1 49 49 TYR CA C 13 56.540 . . 1 . . . . . 49 TYR CA . 16850 1 254 . 1 1 49 49 TYR CB C 13 37.110 . . 1 . . . . . 49 TYR CB . 16850 1 255 . 1 1 49 49 TYR N N 15 119.550 . . 1 . . . . . 49 TYR N . 16850 1 256 . 1 1 50 50 SER H H 1 7.830 . . 1 . . . . . 50 SER H . 16850 1 257 . 1 1 50 50 SER HA H 1 4.130 . . 1 . . . . . 50 SER HA . 16850 1 258 . 1 1 50 50 SER HB2 H 1 3.590 . . 2 . . . . . 50 SER HB2 . 16850 1 259 . 1 1 50 50 SER HB3 H 1 3.720 . . 2 . . . . . 50 SER HB3 . 16850 1 260 . 1 1 50 50 SER CA C 13 60.350 . . 1 . . . . . 50 SER CA . 16850 1 261 . 1 1 50 50 SER CB C 13 63.240 . . 1 . . . . . 50 SER CB . 16850 1 262 . 1 1 50 50 SER N N 15 115.830 . . 1 . . . . . 50 SER N . 16850 1 263 . 1 1 51 51 ASN H H 1 9.070 . . 1 . . . . . 51 ASN H . 16850 1 264 . 1 1 51 51 ASN HA H 1 4.520 . . 1 . . . . . 51 ASN HA . 16850 1 265 . 1 1 51 51 ASN CA C 13 52.870 . . 1 . . . . . 51 ASN CA . 16850 1 266 . 1 1 51 51 ASN CB C 13 37.540 . . 1 . . . . . 51 ASN CB . 16850 1 267 . 1 1 51 51 ASN N N 15 119.210 . . 1 . . . . . 51 ASN N . 16850 1 268 . 1 1 52 52 VAL H H 1 7.520 . . 1 . . . . . 52 VAL H . 16850 1 269 . 1 1 52 52 VAL HA H 1 4.100 . . 1 . . . . . 52 VAL HA . 16850 1 270 . 1 1 52 52 VAL HB H 1 1.800 . . 1 . . . . . 52 VAL HB . 16850 1 271 . 1 1 52 52 VAL CA C 13 60.770 . . 1 . . . . . 52 VAL CA . 16850 1 272 . 1 1 52 52 VAL CB C 13 34.160 . . 1 . . . . . 52 VAL CB . 16850 1 273 . 1 1 52 52 VAL N N 15 122.150 . . 1 . . . . . 52 VAL N . 16850 1 274 . 1 1 53 53 ILE H H 1 8.790 . . 1 . . . . . 53 ILE H . 16850 1 275 . 1 1 53 53 ILE HA H 1 4.100 . . 1 . . . . . 53 ILE HA . 16850 1 276 . 1 1 53 53 ILE HB H 1 1.590 . . 1 . . . . . 53 ILE HB . 16850 1 277 . 1 1 53 53 ILE CA C 13 59.870 . . 1 . . . . . 53 ILE CA . 16850 1 278 . 1 1 53 53 ILE CB C 13 38.340 . . 1 . . . . . 53 ILE CB . 16850 1 279 . 1 1 53 53 ILE N N 15 128.560 . . 1 . . . . . 53 ILE N . 16850 1 280 . 1 1 54 54 PHE H H 1 8.670 . . 1 . . . . . 54 PHE H . 16850 1 281 . 1 1 54 54 PHE HA H 1 4.960 . . 1 . . . . . 54 PHE HA . 16850 1 282 . 1 1 54 54 PHE CA C 13 56.550 . . 1 . . . . . 54 PHE CA . 16850 1 283 . 1 1 54 54 PHE CB C 13 40.350 . . 1 . . . . . 54 PHE CB . 16850 1 284 . 1 1 54 54 PHE N N 15 126.910 . . 1 . . . . . 54 PHE N . 16850 1 285 . 1 1 55 55 LEU H H 1 9.380 . . 1 . . . . . 55 LEU H . 16850 1 286 . 1 1 55 55 LEU HA H 1 4.950 . . 1 . . . . . 55 LEU HA . 16850 1 287 . 1 1 55 55 LEU CA C 13 56.520 . . 1 . . . . . 55 LEU CA . 16850 1 288 . 1 1 55 55 LEU CB C 13 40.370 . . 1 . . . . . 55 LEU CB . 16850 1 289 . 1 1 55 55 LEU N N 15 123.110 . . 1 . . . . . 55 LEU N . 16850 1 290 . 1 1 56 56 GLU H H 1 8.480 . . 1 . . . . . 56 GLU H . 16850 1 291 . 1 1 56 56 GLU HA H 1 4.720 . . 1 . . . . . 56 GLU HA . 16850 1 292 . 1 1 56 56 GLU HB2 H 1 1.074 . . 2 . . . . . 56 GLU HB2 . 16850 1 293 . 1 1 56 56 GLU HB3 H 1 1.500 . . 2 . . . . . 56 GLU HB3 . 16850 1 294 . 1 1 56 56 GLU CA C 13 54.700 . . 1 . . . . . 56 GLU CA . 16850 1 295 . 1 1 56 56 GLU CB C 13 33.080 . . 1 . . . . . 56 GLU CB . 16850 1 296 . 1 1 56 56 GLU N N 15 122.370 . . 1 . . . . . 56 GLU N . 16850 1 297 . 1 1 57 57 VAL H H 1 8.420 . . 1 . . . . . 57 VAL H . 16850 1 298 . 1 1 57 57 VAL HA H 1 3.710 . . 1 . . . . . 57 VAL HA . 16850 1 299 . 1 1 57 57 VAL HB H 1 1.010 . . 1 . . . . . 57 VAL HB . 16850 1 300 . 1 1 57 57 VAL CA C 13 60.680 . . 1 . . . . . 57 VAL CA . 16850 1 301 . 1 1 57 57 VAL CB C 13 29.630 . . 1 . . . . . 57 VAL CB . 16850 1 302 . 1 1 57 57 VAL N N 15 126.130 . . 1 . . . . . 57 VAL N . 16850 1 303 . 1 1 58 58 ASP H H 1 9.049 . . 1 . . . . . 58 ASP H . 16850 1 304 . 1 1 58 58 ASP HA H 1 4.700 . . 1 . . . . . 58 ASP HA . 16850 1 305 . 1 1 58 58 ASP CA C 13 52.837 . . 1 . . . . . 58 ASP CA . 16850 1 306 . 1 1 58 58 ASP CB C 13 42.270 . . 1 . . . . . 58 ASP CB . 16850 1 307 . 1 1 58 58 ASP N N 15 129.593 . . 1 . . . . . 58 ASP N . 16850 1 308 . 1 1 59 59 VAL H H 1 8.740 . . 1 . . . . . 59 VAL H . 16850 1 309 . 1 1 59 59 VAL HA H 1 3.350 . . 1 . . . . . 59 VAL HA . 16850 1 310 . 1 1 59 59 VAL CA C 13 64.550 . . 1 . . . . . 59 VAL CA . 16850 1 311 . 1 1 59 59 VAL CB C 13 30.416 . . 1 . . . . . 59 VAL CB . 16850 1 312 . 1 1 59 59 VAL N N 15 120.599 . . 1 . . . . . 59 VAL N . 16850 1 313 . 1 1 60 60 ASP H H 1 8.330 . . 1 . . . . . 60 ASP H . 16850 1 314 . 1 1 60 60 ASP HA H 1 4.520 . . 1 . . . . . 60 ASP HA . 16850 1 315 . 1 1 60 60 ASP HB2 H 1 2.430 . . 2 . . . . . 60 ASP HB2 . 16850 1 316 . 1 1 60 60 ASP HB3 H 1 2.620 . . 2 . . . . . 60 ASP HB3 . 16850 1 317 . 1 1 60 60 ASP CA C 13 56.287 . . 1 . . . . . 60 ASP CA . 16850 1 318 . 1 1 60 60 ASP CB C 13 40.792 . . 1 . . . . . 60 ASP CB . 16850 1 319 . 1 1 60 60 ASP N N 15 120.370 . . 1 . . . . . 60 ASP N . 16850 1 320 . 1 1 61 61 ASP H H 1 8.493 . . 1 . . . . . 61 ASP H . 16850 1 321 . 1 1 61 61 ASP HA H 1 4.280 . . 1 . . . . . 61 ASP HA . 16850 1 322 . 1 1 61 61 ASP CA C 13 56.076 . . 1 . . . . . 61 ASP CA . 16850 1 323 . 1 1 61 61 ASP CB C 13 40.930 . . 1 . . . . . 61 ASP CB . 16850 1 324 . 1 1 61 61 ASP N N 15 122.040 . . 1 . . . . . 61 ASP N . 16850 1 325 . 1 1 62 62 CYS H H 1 8.120 . . 1 . . . . . 62 CYS H . 16850 1 326 . 1 1 62 62 CYS HA H 1 4.590 . . 1 . . . . . 62 CYS HA . 16850 1 327 . 1 1 62 62 CYS CA C 13 56.070 . . 1 . . . . . 62 CYS CA . 16850 1 328 . 1 1 62 62 CYS CB C 13 26.190 . . 1 . . . . . 62 CYS CB . 16850 1 329 . 1 1 62 62 CYS N N 15 120.480 . . 1 . . . . . 62 CYS N . 16850 1 330 . 1 1 63 63 GLN H H 1 8.130 . . 1 . . . . . 63 GLN H . 16850 1 331 . 1 1 63 63 GLN HA H 1 3.840 . . 1 . . . . . 63 GLN HA . 16850 1 332 . 1 1 63 63 GLN CA C 13 59.080 . . 1 . . . . . 63 GLN CA . 16850 1 333 . 1 1 63 63 GLN CB C 13 28.400 . . 1 . . . . . 63 GLN CB . 16850 1 334 . 1 1 63 63 GLN N N 15 123.600 . . 1 . . . . . 63 GLN N . 16850 1 335 . 1 1 64 64 ASP H H 1 8.900 . . 1 . . . . . 64 ASP H . 16850 1 336 . 1 1 64 64 ASP HA H 1 4.030 . . 1 . . . . . 64 ASP HA . 16850 1 337 . 1 1 64 64 ASP HB2 H 1 2.330 . . 2 . . . . . 64 ASP HB2 . 16850 1 338 . 1 1 64 64 ASP HB3 H 1 2.500 . . 2 . . . . . 64 ASP HB3 . 16850 1 339 . 1 1 64 64 ASP CA C 13 56.210 . . 1 . . . . . 64 ASP CA . 16850 1 340 . 1 1 64 64 ASP CB C 13 38.550 . . 1 . . . . . 64 ASP CB . 16850 1 341 . 1 1 64 64 ASP N N 15 118.700 . . 1 . . . . . 64 ASP N . 16850 1 342 . 1 1 65 65 VAL H H 1 7.580 . . 1 . . . . . 65 VAL H . 16850 1 343 . 1 1 65 65 VAL HA H 1 3.200 . . 1 . . . . . 65 VAL HA . 16850 1 344 . 1 1 65 65 VAL HB H 1 1.500 . . 1 . . . . . 65 VAL HB . 16850 1 345 . 1 1 65 65 VAL CA C 13 65.800 . . 1 . . . . . 65 VAL CA . 16850 1 346 . 1 1 65 65 VAL CB C 13 31.200 . . 1 . . . . . 65 VAL CB . 16850 1 347 . 1 1 65 65 VAL N N 15 122.800 . . 1 . . . . . 65 VAL N . 16850 1 348 . 1 1 66 66 ALA H H 1 7.670 . . 1 . . . . . 66 ALA H . 16850 1 349 . 1 1 66 66 ALA HA H 1 3.240 . . 1 . . . . . 66 ALA HA . 16850 1 350 . 1 1 66 66 ALA HB1 H 1 1.050 . . 1 . . . . . 66 ALA HB1 . 16850 1 351 . 1 1 66 66 ALA HB2 H 1 1.050 . . 1 . . . . . 66 ALA HB2 . 16850 1 352 . 1 1 66 66 ALA HB3 H 1 1.050 . . 1 . . . . . 66 ALA HB3 . 16850 1 353 . 1 1 66 66 ALA CA C 13 55.500 . . 1 . . . . . 66 ALA CA . 16850 1 354 . 1 1 66 66 ALA CB C 13 17.940 . . 1 . . . . . 66 ALA CB . 16850 1 355 . 1 1 66 66 ALA N N 15 121.000 . . 1 . . . . . 66 ALA N . 16850 1 356 . 1 1 67 67 SER H H 1 8.200 . . 1 . . . . . 67 SER H . 16850 1 357 . 1 1 67 67 SER HA H 1 3.960 . . 1 . . . . . 67 SER HA . 16850 1 358 . 1 1 67 67 SER CA C 13 61.170 . . 1 . . . . . 67 SER CA . 16850 1 359 . 1 1 67 67 SER CB C 13 62.480 . . 1 . . . . . 67 SER CB . 16850 1 360 . 1 1 67 67 SER N N 15 112.070 . . 1 . . . . . 67 SER N . 16850 1 361 . 1 1 68 68 GLU H H 1 8.100 . . 1 . . . . . 68 GLU H . 16850 1 362 . 1 1 68 68 GLU HA H 1 3.800 . . 1 . . . . . 68 GLU HA . 16850 1 363 . 1 1 68 68 GLU CA C 13 59.420 . . 1 . . . . . 68 GLU CA . 16850 1 364 . 1 1 68 68 GLU CB C 13 28.800 . . 1 . . . . . 68 GLU CB . 16850 1 365 . 1 1 68 68 GLU N N 15 124.800 . . 1 . . . . . 68 GLU N . 16850 1 366 . 1 1 69 69 CYS H H 1 7.800 . . 1 . . . . . 69 CYS H . 16850 1 367 . 1 1 69 69 CYS HA H 1 4.200 . . 1 . . . . . 69 CYS HA . 16850 1 368 . 1 1 69 69 CYS CA C 13 60.800 . . 1 . . . . . 69 CYS CA . 16850 1 369 . 1 1 69 69 CYS CB C 13 27.400 . . 1 . . . . . 69 CYS CB . 16850 1 370 . 1 1 69 69 CYS N N 15 115.270 . . 1 . . . . . 69 CYS N . 16850 1 371 . 1 1 70 70 GLU H H 1 7.730 . . 1 . . . . . 70 GLU H . 16850 1 372 . 1 1 70 70 GLU HA H 1 3.460 . . 1 . . . . . 70 GLU HA . 16850 1 373 . 1 1 70 70 GLU CA C 13 56.650 . . 1 . . . . . 70 GLU CA . 16850 1 374 . 1 1 70 70 GLU CB C 13 26.600 . . 1 . . . . . 70 GLU CB . 16850 1 375 . 1 1 70 70 GLU N N 15 117.820 . . 1 . . . . . 70 GLU N . 16850 1 376 . 1 1 71 71 VAL H H 1 7.570 . . 1 . . . . . 71 VAL H . 16850 1 377 . 1 1 71 71 VAL HA H 1 3.160 . . 1 . . . . . 71 VAL HA . 16850 1 378 . 1 1 71 71 VAL HB H 1 1.100 . . 1 . . . . . 71 VAL HB . 16850 1 379 . 1 1 71 71 VAL CA C 13 64.210 . . 1 . . . . . 71 VAL CA . 16850 1 380 . 1 1 71 71 VAL CB C 13 30.910 . . 1 . . . . . 71 VAL CB . 16850 1 381 . 1 1 71 71 VAL N N 15 119.870 . . 1 . . . . . 71 VAL N . 16850 1 382 . 1 1 72 72 LYS H H 1 8.830 . . 1 . . . . . 72 LYS H . 16850 1 383 . 1 1 72 72 LYS HA H 1 4.140 . . 1 . . . . . 72 LYS HA . 16850 1 384 . 1 1 72 72 LYS HB2 H 1 1.300 . . 2 . . . . . 72 LYS HB2 . 16850 1 385 . 1 1 72 72 LYS HB3 H 1 1.600 . . 2 . . . . . 72 LYS HB3 . 16850 1 386 . 1 1 72 72 LYS CA C 13 55.900 . . 1 . . . . . 72 LYS CA . 16850 1 387 . 1 1 72 72 LYS CB C 13 34.500 . . 1 . . . . . 72 LYS CB . 16850 1 388 . 1 1 72 72 LYS N N 15 128.080 . . 1 . . . . . 72 LYS N . 16850 1 389 . 1 1 73 73 CYS H H 1 7.600 . . 1 . . . . . 73 CYS H . 16850 1 390 . 1 1 73 73 CYS HA H 1 4.310 . . 1 . . . . . 73 CYS HA . 16850 1 391 . 1 1 73 73 CYS HB2 H 1 2.490 . . 1 . . . . . 73 CYS HB2 . 16850 1 392 . 1 1 73 73 CYS HB3 H 1 2.490 . . 1 . . . . . 73 CYS HB3 . 16850 1 393 . 1 1 73 73 CYS CA C 13 57.138 . . 1 . . . . . 73 CYS CA . 16850 1 394 . 1 1 73 73 CYS CB C 13 28.820 . . 1 . . . . . 73 CYS CB . 16850 1 395 . 1 1 73 73 CYS N N 15 117.600 . . 1 . . . . . 73 CYS N . 16850 1 396 . 1 1 74 74 MET H H 1 8.620 . . 1 . . . . . 74 MET H . 16850 1 397 . 1 1 74 74 MET HA H 1 4.520 . . 1 . . . . . 74 MET HA . 16850 1 398 . 1 1 74 74 MET CA C 13 52.360 . . 1 . . . . . 74 MET CA . 16850 1 399 . 1 1 74 74 MET CB C 13 33.580 . . 1 . . . . . 74 MET CB . 16850 1 400 . 1 1 74 74 MET N N 15 122.200 . . 1 . . . . . 74 MET N . 16850 1 401 . 1 1 76 76 THR H H 1 7.440 . . 1 . . . . . 76 THR H . 16850 1 402 . 1 1 76 76 THR HA H 1 4.440 . . 1 . . . . . 76 THR HA . 16850 1 403 . 1 1 76 76 THR HB H 1 3.520 . . 1 . . . . . 76 THR HB . 16850 1 404 . 1 1 76 76 THR CA C 13 63.070 . . 1 . . . . . 76 THR CA . 16850 1 405 . 1 1 76 76 THR CB C 13 72.790 . . 1 . . . . . 76 THR CB . 16850 1 406 . 1 1 76 76 THR N N 15 116.790 . . 1 . . . . . 76 THR N . 16850 1 407 . 1 1 77 77 PHE H H 1 8.860 . . 1 . . . . . 77 PHE H . 16850 1 408 . 1 1 77 77 PHE HA H 1 5.430 . . 1 . . . . . 77 PHE HA . 16850 1 409 . 1 1 77 77 PHE HB2 H 1 1.980 . . 2 . . . . . 77 PHE HB2 . 16850 1 410 . 1 1 77 77 PHE HB3 H 1 2.140 . . 2 . . . . . 77 PHE HB3 . 16850 1 411 . 1 1 77 77 PHE CA C 13 55.360 . . 1 . . . . . 77 PHE CA . 16850 1 412 . 1 1 77 77 PHE CB C 13 40.900 . . 1 . . . . . 77 PHE CB . 16850 1 413 . 1 1 77 77 PHE N N 15 125.300 . . 1 . . . . . 77 PHE N . 16850 1 414 . 1 1 78 78 GLN H H 1 8.670 . . 1 . . . . . 78 GLN H . 16850 1 415 . 1 1 78 78 GLN HA H 1 4.690 . . 1 . . . . . 78 GLN HA . 16850 1 416 . 1 1 78 78 GLN HB2 H 1 1.680 . . 2 . . . . . 78 GLN HB2 . 16850 1 417 . 1 1 78 78 GLN HB3 H 1 1.840 . . 2 . . . . . 78 GLN HB3 . 16850 1 418 . 1 1 78 78 GLN CA C 13 54.197 . . 1 . . . . . 78 GLN CA . 16850 1 419 . 1 1 78 78 GLN CB C 13 33.008 . . 1 . . . . . 78 GLN CB . 16850 1 420 . 1 1 78 78 GLN N N 15 119.260 . . 1 . . . . . 78 GLN N . 16850 1 421 . 1 1 79 79 PHE H H 1 7.900 . . 1 . . . . . 79 PHE H . 16850 1 422 . 1 1 79 79 PHE HA H 1 5.230 . . 1 . . . . . 79 PHE HA . 16850 1 423 . 1 1 79 79 PHE CA C 13 55.370 . . 1 . . . . . 79 PHE CA . 16850 1 424 . 1 1 79 79 PHE CB C 13 41.580 . . 1 . . . . . 79 PHE CB . 16850 1 425 . 1 1 79 79 PHE N N 15 120.080 . . 1 . . . . . 79 PHE N . 16850 1 426 . 1 1 80 80 PHE H H 1 10.000 . . 1 . . . . . 80 PHE H . 16850 1 427 . 1 1 80 80 PHE HA H 1 5.270 . . 1 . . . . . 80 PHE HA . 16850 1 428 . 1 1 80 80 PHE HB2 H 1 2.270 . . 2 . . . . . 80 PHE HB2 . 16850 1 429 . 1 1 80 80 PHE HB3 H 1 2.400 . . 2 . . . . . 80 PHE HB3 . 16850 1 430 . 1 1 80 80 PHE CA C 13 56.430 . . 1 . . . . . 80 PHE CA . 16850 1 431 . 1 1 80 80 PHE CB C 13 44.030 . . 1 . . . . . 80 PHE CB . 16850 1 432 . 1 1 80 80 PHE N N 15 123.160 . . 1 . . . . . 80 PHE N . 16850 1 433 . 1 1 81 81 LYS H H 1 8.900 . . 1 . . . . . 81 LYS H . 16850 1 434 . 1 1 81 81 LYS HA H 1 4.270 . . 1 . . . . . 81 LYS HA . 16850 1 435 . 1 1 81 81 LYS HB2 H 1 1.290 . . 2 . . . . . 81 LYS HB2 . 16850 1 436 . 1 1 81 81 LYS HB3 H 1 1.430 . . 2 . . . . . 81 LYS HB3 . 16850 1 437 . 1 1 81 81 LYS CA C 13 56.170 . . 1 . . . . . 81 LYS CA . 16850 1 438 . 1 1 81 81 LYS CB C 13 36.100 . . 1 . . . . . 81 LYS CB . 16850 1 439 . 1 1 81 81 LYS N N 15 119.000 . . 1 . . . . . 81 LYS N . 16850 1 440 . 1 1 82 82 LYS H H 1 10.230 . . 1 . . . . . 82 LYS H . 16850 1 441 . 1 1 82 82 LYS HA H 1 3.720 . . 1 . . . . . 82 LYS HA . 16850 1 442 . 1 1 82 82 LYS HB2 H 1 1.460 . . 2 . . . . . 82 LYS HB2 . 16850 1 443 . 1 1 82 82 LYS HB3 H 1 1.800 . . 2 . . . . . 82 LYS HB3 . 16850 1 444 . 1 1 82 82 LYS CA C 13 56.540 . . 1 . . . . . 82 LYS CA . 16850 1 445 . 1 1 82 82 LYS CB C 13 29.830 . . 1 . . . . . 82 LYS CB . 16850 1 446 . 1 1 82 82 LYS N N 15 130.240 . . 1 . . . . . 82 LYS N . 16850 1 447 . 1 1 83 83 GLY H H 1 9.370 . . 1 . . . . . 83 GLY H . 16850 1 448 . 1 1 83 83 GLY HA2 H 1 3.040 . . 2 . . . . . 83 GLY HA2 . 16850 1 449 . 1 1 83 83 GLY HA3 H 1 3.900 . . 2 . . . . . 83 GLY HA3 . 16850 1 450 . 1 1 83 83 GLY CA C 13 45.690 . . 1 . . . . . 83 GLY CA . 16850 1 451 . 1 1 83 83 GLY N N 15 104.860 . . 1 . . . . . 83 GLY N . 16850 1 452 . 1 1 84 84 GLN H H 1 7.780 . . 1 . . . . . 84 GLN H . 16850 1 453 . 1 1 84 84 GLN HA H 1 4.460 . . 1 . . . . . 84 GLN HA . 16850 1 454 . 1 1 84 84 GLN HB2 H 1 1.670 . . 2 . . . . . 84 GLN HB2 . 16850 1 455 . 1 1 84 84 GLN HB3 H 1 1.830 . . 2 . . . . . 84 GLN HB3 . 16850 1 456 . 1 1 84 84 GLN CA C 13 53.340 . . 1 . . . . . 84 GLN CA . 16850 1 457 . 1 1 84 84 GLN CB C 13 30.900 . . 1 . . . . . 84 GLN CB . 16850 1 458 . 1 1 84 84 GLN N N 15 119.370 . . 1 . . . . . 84 GLN N . 16850 1 459 . 1 1 85 85 LYS H H 1 8.990 . . 1 . . . . . 85 LYS H . 16850 1 460 . 1 1 85 85 LYS HA H 1 3.640 . . 1 . . . . . 85 LYS HA . 16850 1 461 . 1 1 85 85 LYS HB2 H 1 1.152 . . 2 . . . . . 85 LYS HB2 . 16850 1 462 . 1 1 85 85 LYS HB3 H 1 1.460 . . 2 . . . . . 85 LYS HB3 . 16850 1 463 . 1 1 85 85 LYS CA C 13 57.120 . . 1 . . . . . 85 LYS CA . 16850 1 464 . 1 1 85 85 LYS CB C 13 27.200 . . 1 . . . . . 85 LYS CB . 16850 1 465 . 1 1 85 85 LYS N N 15 126.740 . . 1 . . . . . 85 LYS N . 16850 1 466 . 1 1 86 86 VAL H H 1 9.230 . . 1 . . . . . 86 VAL H . 16850 1 467 . 1 1 86 86 VAL HA H 1 4.270 . . 1 . . . . . 86 VAL HA . 16850 1 468 . 1 1 86 86 VAL CA C 13 60.620 . . 1 . . . . . 86 VAL CA . 16850 1 469 . 1 1 86 86 VAL CB C 13 31.850 . . 1 . . . . . 86 VAL CB . 16850 1 470 . 1 1 86 86 VAL N N 15 121.740 . . 1 . . . . . 86 VAL N . 16850 1 471 . 1 1 87 87 GLY H H 1 7.470 . . 1 . . . . . 87 GLY H . 16850 1 472 . 1 1 87 87 GLY HA2 H 1 3.580 . . 2 . . . . . 87 GLY HA2 . 16850 1 473 . 1 1 87 87 GLY HA3 H 1 4.000 . . 2 . . . . . 87 GLY HA3 . 16850 1 474 . 1 1 87 87 GLY CA C 13 45.910 . . 1 . . . . . 87 GLY CA . 16850 1 475 . 1 1 87 87 GLY N N 15 108.610 . . 1 . . . . . 87 GLY N . 16850 1 476 . 1 1 88 88 GLU H H 1 8.620 . . 1 . . . . . 88 GLU H . 16850 1 477 . 1 1 88 88 GLU HA H 1 5.230 . . 1 . . . . . 88 GLU HA . 16850 1 478 . 1 1 88 88 GLU CA C 13 55.920 . . 1 . . . . . 88 GLU CA . 16850 1 479 . 1 1 88 88 GLU CB C 13 32.790 . . 1 . . . . . 88 GLU CB . 16850 1 480 . 1 1 88 88 GLU N N 15 118.480 . . 1 . . . . . 88 GLU N . 16850 1 481 . 1 1 89 89 PHE H H 1 9.143 . . 1 . . . . . 89 PHE H . 16850 1 482 . 1 1 89 89 PHE HA H 1 4.730 . . 1 . . . . . 89 PHE HA . 16850 1 483 . 1 1 89 89 PHE CA C 13 58.090 . . 1 . . . . . 89 PHE CA . 16850 1 484 . 1 1 89 89 PHE CB C 13 41.530 . . 1 . . . . . 89 PHE CB . 16850 1 485 . 1 1 89 89 PHE N N 15 120.550 . . 1 . . . . . 89 PHE N . 16850 1 486 . 1 1 90 90 SER H H 1 8.770 . . 1 . . . . . 90 SER H . 16850 1 487 . 1 1 90 90 SER HA H 1 5.000 . . 1 . . . . . 90 SER HA . 16850 1 488 . 1 1 90 90 SER HB2 H 1 3.380 . . 2 . . . . . 90 SER HB2 . 16850 1 489 . 1 1 90 90 SER HB3 H 1 3.570 . . 2 . . . . . 90 SER HB3 . 16850 1 490 . 1 1 90 90 SER CA C 13 56.970 . . 1 . . . . . 90 SER CA . 16850 1 491 . 1 1 90 90 SER CB C 13 65.650 . . 1 . . . . . 90 SER CB . 16850 1 492 . 1 1 90 90 SER N N 15 118.840 . . 1 . . . . . 90 SER N . 16850 1 493 . 1 1 91 91 GLY H H 1 7.830 . . 1 . . . . . 91 GLY H . 16850 1 494 . 1 1 91 91 GLY HA2 H 1 4.064 . . 2 . . . . . 91 GLY HA2 . 16850 1 495 . 1 1 91 91 GLY HA3 H 1 4.210 . . 2 . . . . . 91 GLY HA3 . 16850 1 496 . 1 1 91 91 GLY CA C 13 43.890 . . 1 . . . . . 91 GLY CA . 16850 1 497 . 1 1 91 91 GLY N N 15 110.600 . . 1 . . . . . 91 GLY N . 16850 1 498 . 1 1 92 92 ALA H H 1 8.470 . . 1 . . . . . 92 ALA H . 16850 1 499 . 1 1 92 92 ALA HA H 1 4.700 . . 1 . . . . . 92 ALA HA . 16850 1 500 . 1 1 92 92 ALA HB1 H 1 1.070 . . 1 . . . . . 92 ALA HB1 . 16850 1 501 . 1 1 92 92 ALA HB2 H 1 1.070 . . 1 . . . . . 92 ALA HB2 . 16850 1 502 . 1 1 92 92 ALA HB3 H 1 1.070 . . 1 . . . . . 92 ALA HB3 . 16850 1 503 . 1 1 92 92 ALA CA C 13 50.640 . . 1 . . . . . 92 ALA CA . 16850 1 504 . 1 1 92 92 ALA CB C 13 18.410 . . 1 . . . . . 92 ALA CB . 16850 1 505 . 1 1 92 92 ALA N N 15 122.200 . . 1 . . . . . 92 ALA N . 16850 1 506 . 1 1 93 93 ASN H H 1 7.540 . . 1 . . . . . 93 ASN H . 16850 1 507 . 1 1 93 93 ASN HA H 1 4.460 . . 1 . . . . . 93 ASN HA . 16850 1 508 . 1 1 93 93 ASN HB2 H 1 2.430 . . 2 . . . . . 93 ASN HB2 . 16850 1 509 . 1 1 93 93 ASN HB3 H 1 2.660 . . 2 . . . . . 93 ASN HB3 . 16850 1 510 . 1 1 93 93 ASN CA C 13 52.540 . . 1 . . . . . 93 ASN CA . 16850 1 511 . 1 1 93 93 ASN CB C 13 38.600 . . 1 . . . . . 93 ASN CB . 16850 1 512 . 1 1 93 93 ASN N N 15 121.300 . . 1 . . . . . 93 ASN N . 16850 1 513 . 1 1 94 94 LYS H H 1 8.500 . . 1 . . . . . 94 LYS H . 16850 1 514 . 1 1 94 94 LYS HA H 1 3.230 . . 1 . . . . . 94 LYS HA . 16850 1 515 . 1 1 94 94 LYS HB2 H 1 0.620 . . 2 . . . . . 94 LYS HB2 . 16850 1 516 . 1 1 94 94 LYS HB3 H 1 0.970 . . 2 . . . . . 94 LYS HB3 . 16850 1 517 . 1 1 94 94 LYS CA C 13 60.400 . . 1 . . . . . 94 LYS CA . 16850 1 518 . 1 1 94 94 LYS CB C 13 31.960 . . 1 . . . . . 94 LYS CB . 16850 1 519 . 1 1 94 94 LYS N N 15 126.850 . . 1 . . . . . 94 LYS N . 16850 1 520 . 1 1 95 95 GLU H H 1 8.310 . . 1 . . . . . 95 GLU H . 16850 1 521 . 1 1 95 95 GLU HA H 1 3.820 . . 1 . . . . . 95 GLU HA . 16850 1 522 . 1 1 95 95 GLU CA C 13 59.960 . . 1 . . . . . 95 GLU CA . 16850 1 523 . 1 1 95 95 GLU CB C 13 28.250 . . 1 . . . . . 95 GLU CB . 16850 1 524 . 1 1 95 95 GLU N N 15 119.800 . . 1 . . . . . 95 GLU N . 16850 1 525 . 1 1 96 96 LYS H H 1 7.900 . . 1 . . . . . 96 LYS H . 16850 1 526 . 1 1 96 96 LYS HA H 1 3.640 . . 1 . . . . . 96 LYS HA . 16850 1 527 . 1 1 96 96 LYS CA C 13 58.200 . . 1 . . . . . 96 LYS CA . 16850 1 528 . 1 1 96 96 LYS CB C 13 31.900 . . 1 . . . . . 96 LYS CB . 16850 1 529 . 1 1 96 96 LYS N N 15 121.600 . . 1 . . . . . 96 LYS N . 16850 1 530 . 1 1 97 97 LEU H H 1 7.870 . . 1 . . . . . 97 LEU H . 16850 1 531 . 1 1 97 97 LEU HA H 1 3.720 . . 1 . . . . . 97 LEU HA . 16850 1 532 . 1 1 97 97 LEU HB2 H 1 1.690 . . 2 . . . . . 97 LEU HB2 . 16850 1 533 . 1 1 97 97 LEU HB3 H 1 1.800 . . 2 . . . . . 97 LEU HB3 . 16850 1 534 . 1 1 97 97 LEU CA C 13 58.840 . . 1 . . . . . 97 LEU CA . 16850 1 535 . 1 1 97 97 LEU CB C 13 29.400 . . 1 . . . . . 97 LEU CB . 16850 1 536 . 1 1 97 97 LEU N N 15 118.960 . . 1 . . . . . 97 LEU N . 16850 1 537 . 1 1 98 98 GLU H H 1 7.740 . . 1 . . . . . 98 GLU H . 16850 1 538 . 1 1 98 98 GLU HA H 1 3.720 . . 1 . . . . . 98 GLU HA . 16850 1 539 . 1 1 98 98 GLU HB2 H 1 1.690 . . 2 . . . . . 98 GLU HB2 . 16850 1 540 . 1 1 98 98 GLU HB3 H 1 1.800 . . 2 . . . . . 98 GLU HB3 . 16850 1 541 . 1 1 98 98 GLU CA C 13 58.800 . . 1 . . . . . 98 GLU CA . 16850 1 542 . 1 1 98 98 GLU CB C 13 29.500 . . 1 . . . . . 98 GLU CB . 16850 1 543 . 1 1 98 98 GLU N N 15 118.400 . . 1 . . . . . 98 GLU N . 16850 1 544 . 1 1 99 99 ALA H H 1 8.290 . . 1 . . . . . 99 ALA H . 16850 1 545 . 1 1 99 99 ALA HA H 1 3.830 . . 1 . . . . . 99 ALA HA . 16850 1 546 . 1 1 99 99 ALA HB1 H 1 1.130 . . 1 . . . . . 99 ALA HB1 . 16850 1 547 . 1 1 99 99 ALA HB2 H 1 1.130 . . 1 . . . . . 99 ALA HB2 . 16850 1 548 . 1 1 99 99 ALA HB3 H 1 1.130 . . 1 . . . . . 99 ALA HB3 . 16850 1 549 . 1 1 99 99 ALA CA C 13 55.160 . . 1 . . . . . 99 ALA CA . 16850 1 550 . 1 1 99 99 ALA CB C 13 17.800 . . 1 . . . . . 99 ALA CB . 16850 1 551 . 1 1 99 99 ALA N N 15 120.980 . . 1 . . . . . 99 ALA N . 16850 1 552 . 1 1 100 100 THR H H 1 7.660 . . 1 . . . . . 100 THR H . 16850 1 553 . 1 1 100 100 THR HA H 1 3.760 . . 1 . . . . . 100 THR HA . 16850 1 554 . 1 1 100 100 THR HB H 1 1.010 . . 1 . . . . . 100 THR HB . 16850 1 555 . 1 1 100 100 THR CA C 13 54.550 . . 1 . . . . . 100 THR CA . 16850 1 556 . 1 1 100 100 THR CB C 13 72.280 . . 1 . . . . . 100 THR CB . 16850 1 557 . 1 1 100 100 THR N N 15 118.180 . . 1 . . . . . 100 THR N . 16850 1 558 . 1 1 107 107 GLU H H 1 7.990 . . 1 . . . . . 107 GLU H . 16850 1 559 . 1 1 107 107 GLU HA H 1 3.880 . . 1 . . . . . 107 GLU HA . 16850 1 560 . 1 1 107 107 GLU CA C 13 56.683 . . 1 . . . . . 107 GLU CA . 16850 1 561 . 1 1 107 107 GLU CB C 13 29.765 . . 1 . . . . . 107 GLU CB . 16850 1 562 . 1 1 107 107 GLU N N 15 120.958 . . 1 . . . . . 107 GLU N . 16850 1 563 . 1 1 108 108 HIS H H 1 8.350 . . 1 . . . . . 108 HIS H . 16850 1 564 . 1 1 108 108 HIS HA H 1 4.290 . . 1 . . . . . 108 HIS HA . 16850 1 565 . 1 1 108 108 HIS CA C 13 55.620 . . 1 . . . . . 108 HIS CA . 16850 1 566 . 1 1 108 108 HIS CB C 13 29.641 . . 1 . . . . . 108 HIS CB . 16850 1 567 . 1 1 108 108 HIS N N 15 119.869 . . 1 . . . . . 108 HIS N . 16850 1 568 . 1 1 109 109 HIS H H 1 8.570 . . 1 . . . . . 109 HIS H . 16850 1 569 . 1 1 109 109 HIS CA C 13 55.630 . . 1 . . . . . 109 HIS CA . 16850 1 570 . 1 1 109 109 HIS CB C 13 29.513 . . 1 . . . . . 109 HIS CB . 16850 1 571 . 1 1 109 109 HIS N N 15 121.390 . . 1 . . . . . 109 HIS N . 16850 1 572 . 1 1 110 110 HIS H H 1 8.230 . . 1 . . . . . 110 HIS H . 16850 1 573 . 1 1 110 110 HIS HA H 1 4.130 . . 1 . . . . . 110 HIS HA . 16850 1 574 . 1 1 110 110 HIS CA C 13 57.142 . . 1 . . . . . 110 HIS CA . 16850 1 575 . 1 1 110 110 HIS CB C 13 29.621 . . 1 . . . . . 110 HIS CB . 16850 1 576 . 1 1 110 110 HIS N N 15 126.055 . . 1 . . . . . 110 HIS N . 16850 1 577 . 2 1 3 3 LYS H H 1 8.330 . . 1 . . . . . 3 LYS H . 16850 1 578 . 2 1 3 3 LYS HA H 1 4.215 0.021 . 1 . . . . . 3 LYS HA . 16850 1 579 . 2 1 3 3 LYS CA C 13 55.650 0.0 . 1 . . . . . 3 LYS CA . 16850 1 580 . 2 1 3 3 LYS CB C 13 33.280 . . 1 . . . . . 3 LYS CB . 16850 1 581 . 2 1 3 3 LYS N N 15 128.720 . . 1 . . . . . 3 LYS N . 16850 1 582 . 2 1 4 4 GLN H H 1 8.760 0.0 . 1 . . . . . 4 GLN H . 16850 1 583 . 2 1 4 4 GLN HA H 1 4.315 0.021 . 1 . . . . . 4 GLN HA . 16850 1 584 . 2 1 4 4 GLN CA C 13 54.910 0.0 . 1 . . . . . 4 GLN CA . 16850 1 585 . 2 1 4 4 GLN CB C 13 28.250 0.0 . 1 . . . . . 4 GLN CB . 16850 1 586 . 2 1 4 4 GLN N N 15 127.800 0.0 . 1 . . . . . 4 GLN N . 16850 1 587 . 2 1 5 5 ILE H H 1 8.720 0.0 . 1 . . . . . 5 ILE H . 16850 1 588 . 2 1 5 5 ILE HA H 1 3.955 0.021 . 1 . . . . . 5 ILE HA . 16850 1 589 . 2 1 5 5 ILE HB H 1 1.915 0.021 . 1 . . . . . 5 ILE HB . 16850 1 590 . 2 1 5 5 ILE CA C 13 57.460 . . 1 . . . . . 5 ILE CA . 16850 1 591 . 2 1 5 5 ILE CB C 13 36.000 . . 1 . . . . . 5 ILE CB . 16850 1 592 . 2 1 5 5 ILE N N 15 128.600 0.0 . 1 . . . . . 5 ILE N . 16850 1 593 . 2 1 6 6 GLU H H 1 8.990 0.0 . 1 . . . . . 6 GLU H . 16850 1 594 . 2 1 6 6 GLU HA H 1 4.192 0.019 . 1 . . . . . 6 GLU HA . 16850 1 595 . 2 1 6 6 GLU CA C 13 56.200 . . 1 . . . . . 6 GLU CA . 16850 1 596 . 2 1 6 6 GLU CB C 13 30.780 0.0 . 1 . . . . . 6 GLU CB . 16850 1 597 . 2 1 6 6 GLU N N 15 124.270 0.0 . 1 . . . . . 6 GLU N . 16850 1 598 . 2 1 7 7 SER H H 1 7.380 0.0 . 1 . . . . . 7 SER H . 16850 1 599 . 2 1 7 7 SER HA H 1 4.515 0.021 . 1 . . . . . 7 SER HA . 16850 1 600 . 2 1 7 7 SER HB2 H 1 3.795 0.021 . 2 . . . . . 7 SER HB2 . 16850 1 601 . 2 1 7 7 SER HB3 H 1 3.945 0.021 . 2 . . . . . 7 SER HB3 . 16850 1 602 . 2 1 7 7 SER CA C 13 57.320 0.0 . 1 . . . . . 7 SER CA . 16850 1 603 . 2 1 7 7 SER CB C 13 66.370 . . 1 . . . . . 7 SER CB . 16850 1 604 . 2 1 7 7 SER N N 15 112.426 0.021 . 1 . . . . . 7 SER N . 16850 1 605 . 2 1 8 8 LYS H H 1 9.403 0.011 . 1 . . . . . 8 LYS H . 16850 1 606 . 2 1 8 8 LYS HA H 1 3.594 0.02 . 1 . . . . . 8 LYS HA . 16850 1 607 . 2 1 8 8 LYS CA C 13 59.700 . . 1 . . . . . 8 LYS CA . 16850 1 608 . 2 1 8 8 LYS CB C 13 31.800 . . 1 . . . . . 8 LYS CB . 16850 1 609 . 2 1 8 8 LYS N N 15 123.008 0.029 . 1 . . . . . 8 LYS N . 16850 1 610 . 2 1 9 9 THR H H 1 8.220 0.0 . 1 . . . . . 9 THR H . 16850 1 611 . 2 1 9 9 THR HA H 1 3.665 0.021 . 1 . . . . . 9 THR HA . 16850 1 612 . 2 1 9 9 THR CA C 13 66.400 0.0 . 1 . . . . . 9 THR CA . 16850 1 613 . 2 1 9 9 THR CB C 13 68.300 . . 1 . . . . . 9 THR CB . 16850 1 614 . 2 1 9 9 THR N N 15 116.300 0.0 . 1 . . . . . 9 THR N . 16850 1 615 . 2 1 10 10 ALA H H 1 7.960 0.0 . 1 . . . . . 10 ALA H . 16850 1 616 . 2 1 10 10 ALA HA H 1 3.885 0.021 . 1 . . . . . 10 ALA HA . 16850 1 617 . 2 1 10 10 ALA HB1 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB1 . 16850 1 618 . 2 1 10 10 ALA HB2 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB2 . 16850 1 619 . 2 1 10 10 ALA HB3 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB3 . 16850 1 620 . 2 1 10 10 ALA CA C 13 54.600 . . 1 . . . . . 10 ALA CA . 16850 1 621 . 2 1 10 10 ALA CB C 13 18.400 . . 1 . . . . . 10 ALA CB . 16850 1 622 . 2 1 10 10 ALA N N 15 124.500 0.0 . 1 . . . . . 10 ALA N . 16850 1 623 . 2 1 11 11 PHE H H 1 8.100 0.0 . 1 . . . . . 11 PHE H . 16850 1 624 . 2 1 11 11 PHE HA H 1 3.705 0.021 . 1 . . . . . 11 PHE HA . 16850 1 625 . 2 1 11 11 PHE HB2 H 1 2.765 0.021 . 2 . . . . . 11 PHE HB2 . 16850 1 626 . 2 1 11 11 PHE HB3 H 1 3.085 0.021 . 2 . . . . . 11 PHE HB3 . 16850 1 627 . 2 1 11 11 PHE CA C 13 61.300 . . 1 . . . . . 11 PHE CA . 16850 1 628 . 2 1 11 11 PHE CB C 13 38.900 0.0 . 1 . . . . . 11 PHE CB . 16850 1 629 . 2 1 11 11 PHE N N 15 121.700 0.0 . 1 . . . . . 11 PHE N . 16850 1 630 . 2 1 12 12 GLN H H 1 8.150 0.0 . 1 . . . . . 12 GLN H . 16850 1 631 . 2 1 12 12 GLN HA H 1 3.245 0.021 . 1 . . . . . 12 GLN HA . 16850 1 632 . 2 1 12 12 GLN HB2 H 1 1.825 0.021 . 1 . . . . . 12 GLN HB2 . 16850 1 633 . 2 1 12 12 GLN HB3 H 1 1.825 0.021 . 1 . . . . . 12 GLN HB3 . 16850 1 634 . 2 1 12 12 GLN CA C 13 58.440 0.0 . 1 . . . . . 12 GLN CA . 16850 1 635 . 2 1 12 12 GLN CB C 13 27.960 0.0 . 1 . . . . . 12 GLN CB . 16850 1 636 . 2 1 12 12 GLN N N 15 118.290 0.0 . 1 . . . . . 12 GLN N . 16850 1 637 . 2 1 13 13 GLU H H 1 8.270 0.0 . 1 . . . . . 13 GLU H . 16850 1 638 . 2 1 13 13 GLU HA H 1 3.665 0.021 . 1 . . . . . 13 GLU HA . 16850 1 639 . 2 1 13 13 GLU CA C 13 59.200 0.0 . 1 . . . . . 13 GLU CA . 16850 1 640 . 2 1 13 13 GLU CB C 13 29.100 . . 1 . . . . . 13 GLU CB . 16850 1 641 . 2 1 13 13 GLU N N 15 118.400 0.0 . 1 . . . . . 13 GLU N . 16850 1 642 . 2 1 14 14 ALA H H 1 7.800 0.0 . 1 . . . . . 14 ALA H . 16850 1 643 . 2 1 14 14 ALA HA H 1 3.745 0.021 . 1 . . . . . 14 ALA HA . 16850 1 644 . 2 1 14 14 ALA HB1 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB1 . 16850 1 645 . 2 1 14 14 ALA HB2 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB2 . 16850 1 646 . 2 1 14 14 ALA HB3 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB3 . 16850 1 647 . 2 1 14 14 ALA CA C 13 54.835 0.288 . 1 . . . . . 14 ALA CA . 16850 1 648 . 2 1 14 14 ALA CB C 13 18.005 0.007 . 1 . . . . . 14 ALA CB . 16850 1 649 . 2 1 14 14 ALA N N 15 122.590 0.0 . 1 . . . . . 14 ALA N . 16850 1 650 . 2 1 15 15 LEU H H 1 8.000 0.0 . 1 . . . . . 15 LEU H . 16850 1 651 . 2 1 15 15 LEU HA H 1 3.405 0.021 . 1 . . . . . 15 LEU HA . 16850 1 652 . 2 1 15 15 LEU CA C 13 67.265 0.029 . 1 . . . . . 15 LEU CA . 16850 1 653 . 2 1 15 15 LEU CB C 13 46.340 0.0 . 1 . . . . . 15 LEU CB . 16850 1 654 . 2 1 15 15 LEU N N 15 116.616 0.209 . 1 . . . . . 15 LEU N . 16850 1 655 . 2 1 16 16 ASP H H 1 8.141 0.004 . 1 . . . . . 16 ASP H . 16850 1 656 . 2 1 16 16 ASP HA H 1 4.005 0.021 . 1 . . . . . 16 ASP HA . 16850 1 657 . 2 1 16 16 ASP CA C 13 56.933 0.026 . 1 . . . . . 16 ASP CA . 16850 1 658 . 2 1 16 16 ASP CB C 13 40.419 0.019 . 1 . . . . . 16 ASP CB . 16850 1 659 . 2 1 16 16 ASP N N 15 120.700 0.0 . 1 . . . . . 16 ASP N . 16850 1 660 . 2 1 17 17 ALA H H 1 8.156 0.001 . 1 . . . . . 17 ALA H . 16850 1 661 . 2 1 17 17 ALA HA H 1 3.855 0.021 . 1 . . . . . 17 ALA HA . 16850 1 662 . 2 1 17 17 ALA HB1 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB1 . 16850 1 663 . 2 1 17 17 ALA HB2 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB2 . 16850 1 664 . 2 1 17 17 ALA HB3 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB3 . 16850 1 665 . 2 1 17 17 ALA CA C 13 53.200 0.0 . 1 . . . . . 17 ALA CA . 16850 1 666 . 2 1 17 17 ALA CB C 13 18.230 0.0 . 1 . . . . . 17 ALA CB . 16850 1 667 . 2 1 17 17 ALA N N 15 122.241 0.033 . 1 . . . . . 17 ALA N . 16850 1 668 . 2 1 18 18 ALA H H 1 7.140 0.0 . 1 . . . . . 18 ALA H . 16850 1 669 . 2 1 18 18 ALA HA H 1 3.605 0.021 . 1 . . . . . 18 ALA HA . 16850 1 670 . 2 1 18 18 ALA HB1 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB1 . 16850 1 671 . 2 1 18 18 ALA HB2 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB2 . 16850 1 672 . 2 1 18 18 ALA HB3 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB3 . 16850 1 673 . 2 1 18 18 ALA CA C 13 53.400 . . 1 . . . . . 18 ALA CA . 16850 1 674 . 2 1 18 18 ALA CB C 13 20.250 0.0 . 1 . . . . . 18 ALA CB . 16850 1 675 . 2 1 18 18 ALA N N 15 119.500 0.0 . 1 . . . . . 18 ALA N . 16850 1 676 . 2 1 19 19 GLY H H 1 7.580 0.0 . 1 . . . . . 19 GLY H . 16850 1 677 . 2 1 19 19 GLY HA2 H 1 3.635 0.021 . 2 . . . . . 19 GLY HA2 . 16850 1 678 . 2 1 19 19 GLY HA3 H 1 3.445 0.021 . 2 . . . . . 19 GLY HA3 . 16850 1 679 . 2 1 19 19 GLY CA C 13 47.100 0.023 . 1 . . . . . 19 GLY CA . 16850 1 680 . 2 1 19 19 GLY N N 15 106.750 0.0 . 1 . . . . . 19 GLY N . 16850 1 681 . 2 1 20 20 ASP H H 1 9.061 0.001 . 1 . . . . . 20 ASP H . 16850 1 682 . 2 1 20 20 ASP HA H 1 4.335 0.021 . 1 . . . . . 20 ASP HA . 16850 1 683 . 2 1 20 20 ASP CA C 13 54.010 0.0 . 1 . . . . . 20 ASP CA . 16850 1 684 . 2 1 20 20 ASP CB C 13 40.726 0.026 . 1 . . . . . 20 ASP CB . 16850 1 685 . 2 1 20 20 ASP N N 15 129.599 0.001 . 1 . . . . . 20 ASP N . 16850 1 686 . 2 1 21 21 LYS H H 1 7.810 0.0 . 1 . . . . . 21 LYS H . 16850 1 687 . 2 1 21 21 LYS HA H 1 3.955 0.021 . 1 . . . . . 21 LYS HA . 16850 1 688 . 2 1 21 21 LYS CA C 13 57.290 0.0 . 1 . . . . . 21 LYS CA . 16850 1 689 . 2 1 21 21 LYS CB C 13 33.290 . . 1 . . . . . 21 LYS CB . 16850 1 690 . 2 1 21 21 LYS N N 15 120.217 0.0 . 1 . . . . . 21 LYS N . 16850 1 691 . 2 1 22 22 LEU H H 1 8.730 0.0 . 1 . . . . . 22 LEU H . 16850 1 692 . 2 1 22 22 LEU HA H 1 3.943 0.019 . 1 . . . . . 22 LEU HA . 16850 1 693 . 2 1 22 22 LEU CA C 13 57.260 0.0 . 1 . . . . . 22 LEU CA . 16850 1 694 . 2 1 22 22 LEU CB C 13 33.310 0.0 . 1 . . . . . 22 LEU CB . 16850 1 695 . 2 1 22 22 LEU N N 15 123.540 0.0 . 1 . . . . . 22 LEU N . 16850 1 696 . 2 1 23 23 VAL H H 1 8.920 0.0 . 1 . . . . . 23 VAL H . 16850 1 697 . 2 1 23 23 VAL HA H 1 4.535 0.021 . 1 . . . . . 23 VAL HA . 16850 1 698 . 2 1 23 23 VAL HB H 1 1.645 0.021 . 1 . . . . . 23 VAL HB . 16850 1 699 . 2 1 23 23 VAL CA C 13 60.180 0.0 . 1 . . . . . 23 VAL CA . 16850 1 700 . 2 1 23 23 VAL CB C 13 33.950 . . 1 . . . . . 23 VAL CB . 16850 1 701 . 2 1 23 23 VAL N N 15 126.501 0.004 . 1 . . . . . 23 VAL N . 16850 1 702 . 2 1 24 24 VAL H H 1 9.185 0.0 . 1 . . . . . 24 VAL H . 16850 1 703 . 2 1 24 24 VAL HA H 1 4.185 0.021 . 1 . . . . . 24 VAL HA . 16850 1 704 . 2 1 24 24 VAL HB H 1 1.235 0.021 . 1 . . . . . 24 VAL HB . 16850 1 705 . 2 1 24 24 VAL CA C 13 60.170 0.0 . 1 . . . . . 24 VAL CA . 16850 1 706 . 2 1 24 24 VAL CB C 13 33.152 . . 1 . . . . . 24 VAL CB . 16850 1 707 . 2 1 24 24 VAL N N 15 127.550 0.0 . 1 . . . . . 24 VAL N . 16850 1 708 . 2 1 25 25 VAL H H 1 9.250 0.0 . 1 . . . . . 25 VAL H . 16850 1 709 . 2 1 25 25 VAL HA H 1 4.335 0.021 . 1 . . . . . 25 VAL HA . 16850 1 710 . 2 1 25 25 VAL HB H 1 1.615 0.021 . 1 . . . . . 25 VAL HB . 16850 1 711 . 2 1 25 25 VAL CA C 13 60.450 0.0 . 1 . . . . . 25 VAL CA . 16850 1 712 . 2 1 25 25 VAL CB C 13 33.310 0.0 . 1 . . . . . 25 VAL CB . 16850 1 713 . 2 1 25 25 VAL N N 15 127.600 0.0 . 1 . . . . . 25 VAL N . 16850 1 714 . 2 1 26 26 ASP H H 1 8.410 0.0 . 1 . . . . . 26 ASP H . 16850 1 715 . 2 1 26 26 ASP HA H 1 3.875 0.021 . 1 . . . . . 26 ASP HA . 16850 1 716 . 2 1 26 26 ASP CA C 13 50.900 0.0 . 1 . . . . . 26 ASP CA . 16850 1 717 . 2 1 26 26 ASP CB C 13 37.900 0.0 . 1 . . . . . 26 ASP CB . 16850 1 718 . 2 1 26 26 ASP N N 15 124.290 0.0 . 1 . . . . . 26 ASP N . 16850 1 719 . 2 1 27 27 PHE H H 1 8.340 0.0 . 1 . . . . . 27 PHE H . 16850 1 720 . 2 1 27 27 PHE HA H 1 4.775 0.021 . 1 . . . . . 27 PHE HA . 16850 1 721 . 2 1 27 27 PHE CA C 13 57.870 . . 1 . . . . . 27 PHE CA . 16850 1 722 . 2 1 27 27 PHE CB C 13 38.250 . . 1 . . . . . 27 PHE CB . 16850 1 723 . 2 1 27 27 PHE N N 15 126.420 0.0 . 1 . . . . . 27 PHE N . 16850 1 724 . 2 1 28 28 SER H H 1 8.750 . . 1 . . . . . 28 SER H . 16850 1 725 . 2 1 28 28 SER HA H 1 4.215 0.021 . 1 . . . . . 28 SER HA . 16850 1 726 . 2 1 28 28 SER CA C 13 55.684 0.027 . 1 . . . . . 28 SER CA . 16850 1 727 . 2 1 28 28 SER CB C 13 67.450 . . 1 . . . . . 28 SER CB . 16850 1 728 . 2 1 28 28 SER N N 15 119.500 . . 1 . . . . . 28 SER N . 16850 1 729 . 2 1 29 29 ALA H H 1 6.880 0.0 . 1 . . . . . 29 ALA H . 16850 1 730 . 2 1 29 29 ALA HA H 1 4.305 0.021 . 1 . . . . . 29 ALA HA . 16850 1 731 . 2 1 29 29 ALA CA C 13 50.930 . . 1 . . . . . 29 ALA CA . 16850 1 732 . 2 1 29 29 ALA CB C 13 21.330 0.0 . 1 . . . . . 29 ALA CB . 16850 1 733 . 2 1 29 29 ALA N N 15 117.427 0.023 . 1 . . . . . 29 ALA N . 16850 1 734 . 2 1 30 30 THR H H 1 9.680 0.001 . 1 . . . . . 30 THR H . 16850 1 735 . 2 1 30 30 THR HA H 1 3.485 0.021 . 1 . . . . . 30 THR HA . 16850 1 736 . 2 1 30 30 THR HB H 1 4.305 0.021 . 1 . . . . . 30 THR HB . 16850 1 737 . 2 1 30 30 THR CA C 13 64.710 . . 1 . . . . . 30 THR CA . 16850 1 738 . 2 1 30 30 THR CB C 13 69.116 . . 1 . . . . . 30 THR CB . 16850 1 739 . 2 1 30 30 THR N N 15 116.930 0.0 . 1 . . . . . 30 THR N . 16850 1 740 . 2 1 31 31 TRP H H 1 6.490 0.0 . 1 . . . . . 31 TRP H . 16850 1 741 . 2 1 31 31 TRP HA H 1 4.285 0.021 . 1 . . . . . 31 TRP HA . 16850 1 742 . 2 1 31 31 TRP HB2 H 1 2.805 0.021 . 2 . . . . . 31 TRP HB2 . 16850 1 743 . 2 1 31 31 TRP HB3 H 1 3.355 0.021 . 2 . . . . . 31 TRP HB3 . 16850 1 744 . 2 1 31 31 TRP CA C 13 53.260 . . 1 . . . . . 31 TRP CA . 16850 1 745 . 2 1 31 31 TRP CB C 13 29.110 0.0 . 1 . . . . . 31 TRP CB . 16850 1 746 . 2 1 31 31 TRP N N 15 115.150 0.0 . 1 . . . . . 31 TRP N . 16850 1 747 . 2 1 32 32 CYS H H 1 6.590 0.0 . 1 . . . . . 32 CYS H . 16850 1 748 . 2 1 32 32 CYS HA H 1 4.265 0.021 . 1 . . . . . 32 CYS HA . 16850 1 749 . 2 1 32 32 CYS CA C 13 57.460 . . 1 . . . . . 32 CYS CA . 16850 1 750 . 2 1 32 32 CYS CB C 13 26.370 0.0 . 1 . . . . . 32 CYS CB . 16850 1 751 . 2 1 32 32 CYS N N 15 123.230 . . 1 . . . . . 32 CYS N . 16850 1 752 . 2 1 33 33 GLY H H 1 9.430 0.0 . 1 . . . . . 33 GLY H . 16850 1 753 . 2 1 33 33 GLY HA2 H 1 3.578 0.022 . 2 . . . . . 33 GLY HA2 . 16850 1 754 . 2 1 33 33 GLY HA3 H 1 3.908 0.022 . 2 . . . . . 33 GLY HA3 . 16850 1 755 . 2 1 33 33 GLY CA C 13 48.770 . . 1 . . . . . 33 GLY CA . 16850 1 756 . 2 1 33 33 GLY N N 15 120.270 0.0 . 1 . . . . . 33 GLY N . 16850 1 757 . 2 1 35 35 SER H H 1 7.493 0.0 . 1 . . . . . 35 SER H . 16850 1 758 . 2 1 35 35 SER HA H 1 4.225 0.021 . 1 . . . . . 35 SER HA . 16850 1 759 . 2 1 35 35 SER HB2 H 1 1.412 0.021 . 2 . . . . . 35 SER HB2 . 16850 1 760 . 2 1 35 35 SER HB3 H 1 0.985 0.021 . 2 . . . . . 35 SER HB3 . 16850 1 761 . 2 1 35 35 SER CA C 13 57.294 . . 1 . . . . . 35 SER CA . 16850 1 762 . 2 1 35 35 SER CB C 13 66.224 . . 1 . . . . . 35 SER CB . 16850 1 763 . 2 1 35 35 SER N N 15 112.554 0.0 . 1 . . . . . 35 SER N . 16850 1 764 . 2 1 36 36 LYS H H 1 7.530 0.0 . 1 . . . . . 36 LYS H . 16850 1 765 . 2 1 36 36 LYS HA H 1 2.855 0.021 . 1 . . . . . 36 LYS HA . 16850 1 766 . 2 1 36 36 LYS CA C 13 66.650 0.0 . 1 . . . . . 36 LYS CA . 16850 1 767 . 2 1 36 36 LYS CB C 13 38.557 . . 1 . . . . . 36 LYS CB . 16850 1 768 . 2 1 36 36 LYS N N 15 121.460 0.0 . 1 . . . . . 36 LYS N . 16850 1 769 . 2 1 37 37 MET H H 1 7.760 0.0 . 1 . . . . . 37 MET H . 16850 1 770 . 2 1 37 37 MET HA H 1 3.925 0.021 . 1 . . . . . 37 MET HA . 16850 1 771 . 2 1 37 37 MET HB2 H 1 2.475 0.021 . 2 . . . . . 37 MET HB2 . 16850 1 772 . 2 1 37 37 MET HB3 H 1 2.355 0.021 . 2 . . . . . 37 MET HB3 . 16850 1 773 . 2 1 37 37 MET CA C 13 56.850 0.0 . 1 . . . . . 37 MET CA . 16850 1 774 . 2 1 37 37 MET CB C 13 38.810 0.0 . 1 . . . . . 37 MET CB . 16850 1 775 . 2 1 37 37 MET N N 15 115.200 0.0 . 1 . . . . . 37 MET N . 16850 1 776 . 2 1 38 38 ILE H H 1 7.620 0.0 . 1 . . . . . 38 ILE H . 16850 1 777 . 2 1 38 38 ILE HA H 1 4.265 0.021 . 1 . . . . . 38 ILE HA . 16850 1 778 . 2 1 38 38 ILE HB H 1 1.655 0.021 . 1 . . . . . 38 ILE HB . 16850 1 779 . 2 1 38 38 ILE CA C 13 60.814 0.027 . 1 . . . . . 38 ILE CA . 16850 1 780 . 2 1 38 38 ILE CB C 13 40.143 0.0 . 1 . . . . . 38 ILE CB . 16850 1 781 . 2 1 38 38 ILE N N 15 117.080 0.0 . 1 . . . . . 38 ILE N . 16850 1 782 . 2 1 39 39 LYS H H 1 7.467 0.0 . 1 . . . . . 39 LYS H . 16850 1 783 . 2 1 39 39 LYS HA H 1 3.908 0.022 . 1 . . . . . 39 LYS HA . 16850 1 784 . 2 1 39 39 LYS CA C 13 62.015 0.0 . 1 . . . . . 39 LYS CA . 16850 1 785 . 2 1 39 39 LYS CB C 13 29.090 . . 1 . . . . . 39 LYS CB . 16850 1 786 . 2 1 39 39 LYS N N 15 125.612 0.008 . 1 . . . . . 39 LYS N . 16850 1 787 . 2 1 41 41 PHE H H 1 7.500 0.0 . 1 . . . . . 41 PHE H . 16850 1 788 . 2 1 41 41 PHE HA H 1 4.145 0.021 . 1 . . . . . 41 PHE HA . 16850 1 789 . 2 1 41 41 PHE CA C 13 60.779 0.043 . 1 . . . . . 41 PHE CA . 16850 1 790 . 2 1 41 41 PHE CB C 13 39.040 . . 1 . . . . . 41 PHE CB . 16850 1 791 . 2 1 41 41 PHE N N 15 120.730 0.0 . 1 . . . . . 41 PHE N . 16850 1 792 . 2 1 42 42 PHE H H 1 8.580 0.0 . 1 . . . . . 42 PHE H . 16850 1 793 . 2 1 42 42 PHE HA H 1 3.635 0.021 . 1 . . . . . 42 PHE HA . 16850 1 794 . 2 1 42 42 PHE CA C 13 62.590 . . 1 . . . . . 42 PHE CA . 16850 1 795 . 2 1 42 42 PHE CB C 13 39.200 . . 1 . . . . . 42 PHE CB . 16850 1 796 . 2 1 42 42 PHE N N 15 123.098 0.006 . 1 . . . . . 42 PHE N . 16850 1 797 . 2 1 43 43 HIS H H 1 8.340 0.0 . 1 . . . . . 43 HIS H . 16850 1 798 . 2 1 43 43 HIS HA H 1 3.485 0.021 . 1 . . . . . 43 HIS HA . 16850 1 799 . 2 1 43 43 HIS CA C 13 59.920 0.0 . 1 . . . . . 43 HIS CA . 16850 1 800 . 2 1 43 43 HIS CB C 13 29.100 . . 1 . . . . . 43 HIS CB . 16850 1 801 . 2 1 43 43 HIS N N 15 115.797 0.009 . 1 . . . . . 43 HIS N . 16850 1 802 . 2 1 44 44 SER H H 1 8.321 0.002 . 1 . . . . . 44 SER H . 16850 1 803 . 2 1 44 44 SER HA H 1 3.815 0.021 . 1 . . . . . 44 SER HA . 16850 1 804 . 2 1 44 44 SER CA C 13 61.880 . . 1 . . . . . 44 SER CA . 16850 1 805 . 2 1 44 44 SER CB C 13 62.620 0.0 . 1 . . . . . 44 SER CB . 16850 1 806 . 2 1 44 44 SER N N 15 119.450 0.0 . 1 . . . . . 44 SER N . 16850 1 807 . 2 1 45 45 LEU H H 1 8.024 0.0 . 1 . . . . . 45 LEU H . 16850 1 808 . 2 1 45 45 LEU HA H 1 3.705 0.021 . 1 . . . . . 45 LEU HA . 16850 1 809 . 2 1 45 45 LEU CA C 13 57.730 0.0 . 1 . . . . . 45 LEU CA . 16850 1 810 . 2 1 45 45 LEU CB C 13 31.690 . . 1 . . . . . 45 LEU CB . 16850 1 811 . 2 1 45 45 LEU N N 15 117.710 0.0 . 1 . . . . . 45 LEU N . 16850 1 812 . 2 1 46 46 SER H H 1 6.720 . . 1 . . . . . 46 SER H . 16850 1 813 . 2 1 46 46 SER HA H 1 5.085 0.021 . 1 . . . . . 46 SER HA . 16850 1 814 . 2 1 46 46 SER CA C 13 59.970 0.0 . 1 . . . . . 46 SER CA . 16850 1 815 . 2 1 46 46 SER CB C 13 62.687 0.027 . 1 . . . . . 46 SER CB . 16850 1 816 . 2 1 46 46 SER N N 15 115.526 0.0 . 1 . . . . . 46 SER N . 16850 1 817 . 2 1 47 47 GLU H H 1 6.770 0.0 . 1 . . . . . 47 GLU H . 16850 1 818 . 2 1 47 47 GLU HA H 1 3.695 0.021 . 1 . . . . . 47 GLU HA . 16850 1 819 . 2 1 47 47 GLU CA C 13 57.280 0.0 . 1 . . . . . 47 GLU CA . 16850 1 820 . 2 1 47 47 GLU CB C 13 29.330 0.0 . 1 . . . . . 47 GLU CB . 16850 1 821 . 2 1 47 47 GLU N N 15 119.473 0.008 . 1 . . . . . 47 GLU N . 16850 1 822 . 2 1 48 48 LYS H H 1 7.140 0.0 . 1 . . . . . 48 LYS H . 16850 1 823 . 2 1 48 48 LYS HA H 1 3.685 0.021 . 1 . . . . . 48 LYS HA . 16850 1 824 . 2 1 48 48 LYS CA C 13 57.690 0.0 . 1 . . . . . 48 LYS CA . 16850 1 825 . 2 1 48 48 LYS CB C 13 33.940 . . 1 . . . . . 48 LYS CB . 16850 1 826 . 2 1 48 48 LYS N N 15 120.047 0.009 . 1 . . . . . 48 LYS N . 16850 1 827 . 2 1 49 49 TYR H H 1 7.890 0.0 . 1 . . . . . 49 TYR H . 16850 1 828 . 2 1 49 49 TYR HA H 1 4.485 0.021 . 1 . . . . . 49 TYR HA . 16850 1 829 . 2 1 49 49 TYR CA C 13 56.540 . . 1 . . . . . 49 TYR CA . 16850 1 830 . 2 1 49 49 TYR CB C 13 37.110 . . 1 . . . . . 49 TYR CB . 16850 1 831 . 2 1 49 49 TYR N N 15 119.550 0.0 . 1 . . . . . 49 TYR N . 16850 1 832 . 2 1 50 50 SER H H 1 7.830 0.0 . 1 . . . . . 50 SER H . 16850 1 833 . 2 1 50 50 SER HA H 1 4.115 0.021 . 1 . . . . . 50 SER HA . 16850 1 834 . 2 1 50 50 SER HB2 H 1 3.575 0.021 . 2 . . . . . 50 SER HB2 . 16850 1 835 . 2 1 50 50 SER HB3 H 1 3.705 0.021 . 2 . . . . . 50 SER HB3 . 16850 1 836 . 2 1 50 50 SER CA C 13 60.350 . . 1 . . . . . 50 SER CA . 16850 1 837 . 2 1 50 50 SER CB C 13 63.240 0.0 . 1 . . . . . 50 SER CB . 16850 1 838 . 2 1 50 50 SER N N 15 115.830 0.0 . 1 . . . . . 50 SER N . 16850 1 839 . 2 1 51 51 ASN H H 1 9.071 0.003 . 1 . . . . . 51 ASN H . 16850 1 840 . 2 1 51 51 ASN HA H 1 4.505 0.021 . 1 . . . . . 51 ASN HA . 16850 1 841 . 2 1 51 51 ASN CA C 13 52.870 . . 1 . . . . . 51 ASN CA . 16850 1 842 . 2 1 51 51 ASN CB C 13 37.564 0.024 . 1 . . . . . 51 ASN CB . 16850 1 843 . 2 1 51 51 ASN N N 15 119.210 0.0 . 1 . . . . . 51 ASN N . 16850 1 844 . 2 1 52 52 VAL H H 1 7.520 0.0 . 1 . . . . . 52 VAL H . 16850 1 845 . 2 1 52 52 VAL HA H 1 4.085 0.021 . 1 . . . . . 52 VAL HA . 16850 1 846 . 2 1 52 52 VAL HB H 1 1.785 0.021 . 1 . . . . . 52 VAL HB . 16850 1 847 . 2 1 52 52 VAL CA C 13 60.770 0.0 . 1 . . . . . 52 VAL CA . 16850 1 848 . 2 1 52 52 VAL CB C 13 34.160 0.0 . 1 . . . . . 52 VAL CB . 16850 1 849 . 2 1 52 52 VAL N N 15 122.140 0.023 . 1 . . . . . 52 VAL N . 16850 1 850 . 2 1 53 53 ILE H H 1 8.790 0.0 . 1 . . . . . 53 ILE H . 16850 1 851 . 2 1 53 53 ILE HA H 1 4.085 0.021 . 1 . . . . . 53 ILE HA . 16850 1 852 . 2 1 53 53 ILE HB H 1 1.575 0.021 . 1 . . . . . 53 ILE HB . 16850 1 853 . 2 1 53 53 ILE CA C 13 59.870 . . 1 . . . . . 53 ILE CA . 16850 1 854 . 2 1 53 53 ILE CB C 13 38.340 0.0 . 1 . . . . . 53 ILE CB . 16850 1 855 . 2 1 53 53 ILE N N 15 128.560 0.0 . 1 . . . . . 53 ILE N . 16850 1 856 . 2 1 54 54 PHE H H 1 8.670 0.0 . 1 . . . . . 54 PHE H . 16850 1 857 . 2 1 54 54 PHE HA H 1 4.945 0.021 . 1 . . . . . 54 PHE HA . 16850 1 858 . 2 1 54 54 PHE CA C 13 56.550 0.0 . 1 . . . . . 54 PHE CA . 16850 1 859 . 2 1 54 54 PHE CB C 13 40.350 . . 1 . . . . . 54 PHE CB . 16850 1 860 . 2 1 54 54 PHE N N 15 126.910 0.0 . 1 . . . . . 54 PHE N . 16850 1 861 . 2 1 55 55 LEU H H 1 9.381 0.004 . 1 . . . . . 55 LEU H . 16850 1 862 . 2 1 55 55 LEU HA H 1 4.935 0.021 . 1 . . . . . 55 LEU HA . 16850 1 863 . 2 1 55 55 LEU CA C 13 56.520 . . 1 . . . . . 55 LEU CA . 16850 1 864 . 2 1 55 55 LEU CB C 13 40.370 0.0 . 1 . . . . . 55 LEU CB . 16850 1 865 . 2 1 55 55 LEU N N 15 123.112 0.007 . 1 . . . . . 55 LEU N . 16850 1 866 . 2 1 56 56 GLU H H 1 8.480 0.0 . 1 . . . . . 56 GLU H . 16850 1 867 . 2 1 56 56 GLU HA H 1 4.705 0.021 . 1 . . . . . 56 GLU HA . 16850 1 868 . 2 1 56 56 GLU HB2 H 1 1.059 0.021 . 2 . . . . . 56 GLU HB2 . 16850 1 869 . 2 1 56 56 GLU HB3 H 1 1.485 0.021 . 2 . . . . . 56 GLU HB3 . 16850 1 870 . 2 1 56 56 GLU CA C 13 54.700 0.0 . 1 . . . . . 56 GLU CA . 16850 1 871 . 2 1 56 56 GLU CB C 13 33.080 . . 1 . . . . . 56 GLU CB . 16850 1 872 . 2 1 56 56 GLU N N 15 122.370 0.0 . 1 . . . . . 56 GLU N . 16850 1 873 . 2 1 57 57 VAL H H 1 8.420 0.0 . 1 . . . . . 57 VAL H . 16850 1 874 . 2 1 57 57 VAL HA H 1 3.695 0.021 . 1 . . . . . 57 VAL HA . 16850 1 875 . 2 1 57 57 VAL HB H 1 0.995 0.021 . 1 . . . . . 57 VAL HB . 16850 1 876 . 2 1 57 57 VAL CA C 13 60.680 0.0 . 1 . . . . . 57 VAL CA . 16850 1 877 . 2 1 57 57 VAL CB C 13 29.630 0.0 . 1 . . . . . 57 VAL CB . 16850 1 878 . 2 1 57 57 VAL N N 15 126.130 0.0 . 1 . . . . . 57 VAL N . 16850 1 879 . 2 1 58 58 ASP H H 1 9.049 0.0 . 1 . . . . . 58 ASP H . 16850 1 880 . 2 1 58 58 ASP HA H 1 4.685 0.021 . 1 . . . . . 58 ASP HA . 16850 1 881 . 2 1 58 58 ASP CA C 13 52.837 0.0 . 1 . . . . . 58 ASP CA . 16850 1 882 . 2 1 58 58 ASP CB C 13 42.304 0.034 . 1 . . . . . 58 ASP CB . 16850 1 883 . 2 1 58 58 ASP N N 15 129.601 0.022 . 1 . . . . . 58 ASP N . 16850 1 884 . 2 1 59 59 VAL H H 1 8.740 0.0 . 1 . . . . . 59 VAL H . 16850 1 885 . 2 1 59 59 VAL HA H 1 3.335 0.021 . 1 . . . . . 59 VAL HA . 16850 1 886 . 2 1 59 59 VAL CA C 13 64.550 . . 1 . . . . . 59 VAL CA . 16850 1 887 . 2 1 59 59 VAL CB C 13 30.416 0.0 . 1 . . . . . 59 VAL CB . 16850 1 888 . 2 1 59 59 VAL N N 15 120.599 0.0 . 1 . . . . . 59 VAL N . 16850 1 889 . 2 1 60 60 ASP H H 1 8.330 . . 1 . . . . . 60 ASP H . 16850 1 890 . 2 1 60 60 ASP HA H 1 4.505 0.021 . 1 . . . . . 60 ASP HA . 16850 1 891 . 2 1 60 60 ASP HB2 H 1 2.415 0.021 . 2 . . . . . 60 ASP HB2 . 16850 1 892 . 2 1 60 60 ASP HB3 H 1 6.931 6.096 . 2 . . . . . 60 ASP HB3 . 16850 1 893 . 2 1 60 60 ASP CA C 13 56.287 . . 1 . . . . . 60 ASP CA . 16850 1 894 . 2 1 60 60 ASP CB C 13 40.792 0.0 . 1 . . . . . 60 ASP CB . 16850 1 895 . 2 1 60 60 ASP N N 15 120.370 0.0 . 1 . . . . . 60 ASP N . 16850 1 896 . 2 1 61 61 ASP H H 1 8.493 . . 1 . . . . . 61 ASP H . 16850 1 897 . 2 1 61 61 ASP HA H 1 4.265 0.021 . 1 . . . . . 61 ASP HA . 16850 1 898 . 2 1 61 61 ASP CA C 13 56.076 0.0 . 1 . . . . . 61 ASP CA . 16850 1 899 . 2 1 61 61 ASP CB C 13 40.930 . . 1 . . . . . 61 ASP CB . 16850 1 900 . 2 1 61 61 ASP N N 15 122.040 0.0 . 1 . . . . . 61 ASP N . 16850 1 901 . 2 1 62 62 CYS H H 1 8.120 . . 1 . . . . . 62 CYS H . 16850 1 902 . 2 1 62 62 CYS HA H 1 4.575 0.021 . 1 . . . . . 62 CYS HA . 16850 1 903 . 2 1 62 62 CYS CA C 13 56.070 0.0 . 1 . . . . . 62 CYS CA . 16850 1 904 . 2 1 62 62 CYS CB C 13 26.190 . . 1 . . . . . 62 CYS CB . 16850 1 905 . 2 1 62 62 CYS N N 15 120.480 0.0 . 1 . . . . . 62 CYS N . 16850 1 906 . 2 1 63 63 GLN H H 1 8.130 0.0 . 1 . . . . . 63 GLN H . 16850 1 907 . 2 1 63 63 GLN HA H 1 3.825 0.021 . 1 . . . . . 63 GLN HA . 16850 1 908 . 2 1 63 63 GLN CA C 13 59.083 0.006 . 1 . . . . . 63 GLN CA . 16850 1 909 . 2 1 63 63 GLN CB C 13 28.437 0.037 . 1 . . . . . 63 GLN CB . 16850 1 910 . 2 1 63 63 GLN N N 15 123.593 0.016 . 1 . . . . . 63 GLN N . 16850 1 911 . 2 1 64 64 ASP H H 1 8.900 0.0 . 1 . . . . . 64 ASP H . 16850 1 912 . 2 1 64 64 ASP HA H 1 4.015 0.021 . 1 . . . . . 64 ASP HA . 16850 1 913 . 2 1 64 64 ASP HB2 H 1 2.315 0.021 . 2 . . . . . 64 ASP HB2 . 16850 1 914 . 2 1 64 64 ASP HB3 H 1 2.485 0.021 . 2 . . . . . 64 ASP HB3 . 16850 1 915 . 2 1 64 64 ASP CA C 13 56.210 . . 1 . . . . . 64 ASP CA . 16850 1 916 . 2 1 64 64 ASP CB C 13 38.550 0.0 . 1 . . . . . 64 ASP CB . 16850 1 917 . 2 1 64 64 ASP N N 15 118.700 0.0 . 1 . . . . . 64 ASP N . 16850 1 918 . 2 1 65 65 VAL H H 1 7.580 . . 1 . . . . . 65 VAL H . 16850 1 919 . 2 1 65 65 VAL HA H 1 3.185 0.021 . 1 . . . . . 65 VAL HA . 16850 1 920 . 2 1 65 65 VAL HB H 1 1.485 0.021 . 1 . . . . . 65 VAL HB . 16850 1 921 . 2 1 65 65 VAL CA C 13 65.800 . . 1 . . . . . 65 VAL CA . 16850 1 922 . 2 1 65 65 VAL CB C 13 31.200 0.0 . 1 . . . . . 65 VAL CB . 16850 1 923 . 2 1 65 65 VAL N N 15 122.800 0.0 . 1 . . . . . 65 VAL N . 16850 1 924 . 2 1 66 66 ALA H H 1 7.670 0.0 . 1 . . . . . 66 ALA H . 16850 1 925 . 2 1 66 66 ALA HA H 1 3.225 0.021 . 1 . . . . . 66 ALA HA . 16850 1 926 . 2 1 66 66 ALA HB1 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB1 . 16850 1 927 . 2 1 66 66 ALA HB2 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB2 . 16850 1 928 . 2 1 66 66 ALA HB3 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB3 . 16850 1 929 . 2 1 66 66 ALA CA C 13 55.500 . . 1 . . . . . 66 ALA CA . 16850 1 930 . 2 1 66 66 ALA CB C 13 17.940 . . 1 . . . . . 66 ALA CB . 16850 1 931 . 2 1 66 66 ALA N N 15 121.000 0.0 . 1 . . . . . 66 ALA N . 16850 1 932 . 2 1 67 67 SER H H 1 8.200 0.0 . 1 . . . . . 67 SER H . 16850 1 933 . 2 1 67 67 SER HA H 1 3.945 0.021 . 1 . . . . . 67 SER HA . 16850 1 934 . 2 1 67 67 SER CA C 13 61.170 . . 1 . . . . . 67 SER CA . 16850 1 935 . 2 1 67 67 SER CB C 13 62.480 0.0 . 1 . . . . . 67 SER CB . 16850 1 936 . 2 1 67 67 SER N N 15 112.070 0.0 . 1 . . . . . 67 SER N . 16850 1 937 . 2 1 68 68 GLU H H 1 8.100 . . 1 . . . . . 68 GLU H . 16850 1 938 . 2 1 68 68 GLU HA H 1 3.785 0.021 . 1 . . . . . 68 GLU HA . 16850 1 939 . 2 1 68 68 GLU CA C 13 59.420 . . 1 . . . . . 68 GLU CA . 16850 1 940 . 2 1 68 68 GLU CB C 13 28.800 . . 1 . . . . . 68 GLU CB . 16850 1 941 . 2 1 68 68 GLU N N 15 124.800 . . 1 . . . . . 68 GLU N . 16850 1 942 . 2 1 69 69 CYS H H 1 7.800 0.0 . 1 . . . . . 69 CYS H . 16850 1 943 . 2 1 69 69 CYS HA H 1 4.185 0.021 . 1 . . . . . 69 CYS HA . 16850 1 944 . 2 1 69 69 CYS CA C 13 60.800 0.0 . 1 . . . . . 69 CYS CA . 16850 1 945 . 2 1 69 69 CYS CB C 13 27.400 . . 1 . . . . . 69 CYS CB . 16850 1 946 . 2 1 69 69 CYS N N 15 115.270 0.0 . 1 . . . . . 69 CYS N . 16850 1 947 . 2 1 70 70 GLU H H 1 7.730 0.0 . 1 . . . . . 70 GLU H . 16850 1 948 . 2 1 70 70 GLU HA H 1 3.445 0.021 . 1 . . . . . 70 GLU HA . 16850 1 949 . 2 1 70 70 GLU CA C 13 56.650 0.0 . 1 . . . . . 70 GLU CA . 16850 1 950 . 2 1 70 70 GLU CB C 13 26.600 0.0 . 1 . . . . . 70 GLU CB . 16850 1 951 . 2 1 70 70 GLU N N 15 117.820 0.0 . 1 . . . . . 70 GLU N . 16850 1 952 . 2 1 71 71 VAL H H 1 7.570 0.0 . 1 . . . . . 71 VAL H . 16850 1 953 . 2 1 71 71 VAL HA H 1 3.145 0.021 . 1 . . . . . 71 VAL HA . 16850 1 954 . 2 1 71 71 VAL HB H 1 1.085 0.021 . 1 . . . . . 71 VAL HB . 16850 1 955 . 2 1 71 71 VAL CA C 13 64.210 . . 1 . . . . . 71 VAL CA . 16850 1 956 . 2 1 71 71 VAL CB C 13 30.910 0.0 . 1 . . . . . 71 VAL CB . 16850 1 957 . 2 1 71 71 VAL N N 15 119.870 0.0 . 1 . . . . . 71 VAL N . 16850 1 958 . 2 1 72 72 LYS H H 1 8.830 0.0 . 1 . . . . . 72 LYS H . 16850 1 959 . 2 1 72 72 LYS HA H 1 4.125 0.021 . 1 . . . . . 72 LYS HA . 16850 1 960 . 2 1 72 72 LYS HB2 H 1 1.285 0.021 . 2 . . . . . 72 LYS HB2 . 16850 1 961 . 2 1 72 72 LYS HB3 H 1 1.585 0.021 . 2 . . . . . 72 LYS HB3 . 16850 1 962 . 2 1 72 72 LYS CA C 13 55.900 0.0 . 1 . . . . . 72 LYS CA . 16850 1 963 . 2 1 72 72 LYS CB C 13 34.500 0.0 . 1 . . . . . 72 LYS CB . 16850 1 964 . 2 1 72 72 LYS N N 15 128.080 0.0 . 1 . . . . . 72 LYS N . 16850 1 965 . 2 1 73 73 CYS H H 1 7.600 0.0 . 1 . . . . . 73 CYS H . 16850 1 966 . 2 1 73 73 CYS HA H 1 4.295 0.021 . 1 . . . . . 73 CYS HA . 16850 1 967 . 2 1 73 73 CYS HB2 H 1 2.475 0.021 . 1 . . . . . 73 CYS HB2 . 16850 1 968 . 2 1 73 73 CYS HB3 H 1 2.475 0.021 . 1 . . . . . 73 CYS HB3 . 16850 1 969 . 2 1 73 73 CYS CA C 13 57.138 0.0 . 1 . . . . . 73 CYS CA . 16850 1 970 . 2 1 73 73 CYS CB C 13 28.820 . . 1 . . . . . 73 CYS CB . 16850 1 971 . 2 1 73 73 CYS N N 15 117.600 0.0 . 1 . . . . . 73 CYS N . 16850 1 972 . 2 1 74 74 MET H H 1 8.620 . . 1 . . . . . 74 MET H . 16850 1 973 . 2 1 74 74 MET HA H 1 4.498 0.022 . 1 . . . . . 74 MET HA . 16850 1 974 . 2 1 74 74 MET CA C 13 52.360 0.0 . 1 . . . . . 74 MET CA . 16850 1 975 . 2 1 74 74 MET CB C 13 33.580 . . 1 . . . . . 74 MET CB . 16850 1 976 . 2 1 74 74 MET N N 15 122.200 . . 1 . . . . . 74 MET N . 16850 1 977 . 2 1 76 76 THR H H 1 7.440 0.0 . 1 . . . . . 76 THR H . 16850 1 978 . 2 1 76 76 THR HA H 1 4.425 0.021 . 1 . . . . . 76 THR HA . 16850 1 979 . 2 1 76 76 THR HB H 1 3.505 0.021 . 1 . . . . . 76 THR HB . 16850 1 980 . 2 1 76 76 THR CA C 13 63.070 0.0 . 1 . . . . . 76 THR CA . 16850 1 981 . 2 1 76 76 THR CB C 13 72.790 . . 1 . . . . . 76 THR CB . 16850 1 982 . 2 1 76 76 THR N N 15 116.790 0.0 . 1 . . . . . 76 THR N . 16850 1 983 . 2 1 77 77 PHE H H 1 8.860 0.0 . 1 . . . . . 77 PHE H . 16850 1 984 . 2 1 77 77 PHE HA H 1 5.415 0.021 . 1 . . . . . 77 PHE HA . 16850 1 985 . 2 1 77 77 PHE HB2 H 1 1.965 0.021 . 2 . . . . . 77 PHE HB2 . 16850 1 986 . 2 1 77 77 PHE HB3 H 1 2.125 0.021 . 2 . . . . . 77 PHE HB3 . 16850 1 987 . 2 1 77 77 PHE CA C 13 55.360 . . 1 . . . . . 77 PHE CA . 16850 1 988 . 2 1 77 77 PHE CB C 13 40.900 0.0 . 1 . . . . . 77 PHE CB . 16850 1 989 . 2 1 77 77 PHE N N 15 125.300 0.0 . 1 . . . . . 77 PHE N . 16850 1 990 . 2 1 78 78 GLN H H 1 8.670 0.001 . 1 . . . . . 78 GLN H . 16850 1 991 . 2 1 78 78 GLN HA H 1 4.675 0.021 . 1 . . . . . 78 GLN HA . 16850 1 992 . 2 1 78 78 GLN HB2 H 1 1.665 0.021 . 2 . . . . . 78 GLN HB2 . 16850 1 993 . 2 1 78 78 GLN HB3 H 1 1.825 0.021 . 2 . . . . . 78 GLN HB3 . 16850 1 994 . 2 1 78 78 GLN CA C 13 54.197 0.0 . 1 . . . . . 78 GLN CA . 16850 1 995 . 2 1 78 78 GLN CB C 13 33.008 . . 1 . . . . . 78 GLN CB . 16850 1 996 . 2 1 78 78 GLN N N 15 119.260 0.0 . 1 . . . . . 78 GLN N . 16850 1 997 . 2 1 79 79 PHE H H 1 7.900 0.0 . 1 . . . . . 79 PHE H . 16850 1 998 . 2 1 79 79 PHE HA H 1 5.215 0.021 . 1 . . . . . 79 PHE HA . 16850 1 999 . 2 1 79 79 PHE CA C 13 55.370 0.0 . 1 . . . . . 79 PHE CA . 16850 1 1000 . 2 1 79 79 PHE CB C 13 41.580 0.0 . 1 . . . . . 79 PHE CB . 16850 1 1001 . 2 1 79 79 PHE N N 15 120.072 0.029 . 1 . . . . . 79 PHE N . 16850 1 1002 . 2 1 80 80 PHE H H 1 10.000 0.0 . 1 . . . . . 80 PHE H . 16850 1 1003 . 2 1 80 80 PHE HA H 1 5.255 0.021 . 1 . . . . . 80 PHE HA . 16850 1 1004 . 2 1 80 80 PHE HB2 H 1 2.255 0.021 . 2 . . . . . 80 PHE HB2 . 16850 1 1005 . 2 1 80 80 PHE HB3 H 1 2.385 0.021 . 2 . . . . . 80 PHE HB3 . 16850 1 1006 . 2 1 80 80 PHE CA C 13 56.430 0.0 . 1 . . . . . 80 PHE CA . 16850 1 1007 . 2 1 80 80 PHE CB C 13 44.030 0.0 . 1 . . . . . 80 PHE CB . 16850 1 1008 . 2 1 80 80 PHE N N 15 123.160 0.0 . 1 . . . . . 80 PHE N . 16850 1 1009 . 2 1 81 81 LYS H H 1 8.900 . . 1 . . . . . 81 LYS H . 16850 1 1010 . 2 1 81 81 LYS HA H 1 4.255 0.021 . 1 . . . . . 81 LYS HA . 16850 1 1011 . 2 1 81 81 LYS HB2 H 1 1.275 0.021 . 2 . . . . . 81 LYS HB2 . 16850 1 1012 . 2 1 81 81 LYS HB3 H 1 1.415 0.021 . 2 . . . . . 81 LYS HB3 . 16850 1 1013 . 2 1 81 81 LYS CA C 13 56.170 . . 1 . . . . . 81 LYS CA . 16850 1 1014 . 2 1 81 81 LYS CB C 13 36.100 . . 1 . . . . . 81 LYS CB . 16850 1 1015 . 2 1 81 81 LYS N N 15 119.000 0.0 . 1 . . . . . 81 LYS N . 16850 1 1016 . 2 1 82 82 LYS H H 1 10.230 0.0 . 1 . . . . . 82 LYS H . 16850 1 1017 . 2 1 82 82 LYS HA H 1 3.705 0.021 . 1 . . . . . 82 LYS HA . 16850 1 1018 . 2 1 82 82 LYS HB2 H 1 1.445 0.021 . 2 . . . . . 82 LYS HB2 . 16850 1 1019 . 2 1 82 82 LYS HB3 H 1 1.785 0.021 . 2 . . . . . 82 LYS HB3 . 16850 1 1020 . 2 1 82 82 LYS CA C 13 56.540 . . 1 . . . . . 82 LYS CA . 16850 1 1021 . 2 1 82 82 LYS CB C 13 29.830 . . 1 . . . . . 82 LYS CB . 16850 1 1022 . 2 1 82 82 LYS N N 15 130.240 0.0 . 1 . . . . . 82 LYS N . 16850 1 1023 . 2 1 83 83 GLY H H 1 9.370 0.0 . 1 . . . . . 83 GLY H . 16850 1 1024 . 2 1 83 83 GLY HA2 H 1 3.025 0.021 . 2 . . . . . 83 GLY HA2 . 16850 1 1025 . 2 1 83 83 GLY HA3 H 1 3.885 0.021 . 2 . . . . . 83 GLY HA3 . 16850 1 1026 . 2 1 83 83 GLY CA C 13 45.690 0.0 . 1 . . . . . 83 GLY CA . 16850 1 1027 . 2 1 83 83 GLY N N 15 104.860 0.002 . 1 . . . . . 83 GLY N . 16850 1 1028 . 2 1 84 84 GLN H H 1 7.780 0.001 . 1 . . . . . 84 GLN H . 16850 1 1029 . 2 1 84 84 GLN HA H 1 4.445 0.021 . 1 . . . . . 84 GLN HA . 16850 1 1030 . 2 1 84 84 GLN HB2 H 1 1.655 0.021 . 2 . . . . . 84 GLN HB2 . 16850 1 1031 . 2 1 84 84 GLN HB3 H 1 1.815 0.021 . 2 . . . . . 84 GLN HB3 . 16850 1 1032 . 2 1 84 84 GLN CA C 13 53.340 0.0 . 1 . . . . . 84 GLN CA . 16850 1 1033 . 2 1 84 84 GLN CB C 13 30.900 . . 1 . . . . . 84 GLN CB . 16850 1 1034 . 2 1 84 84 GLN N N 15 119.370 0.0 . 1 . . . . . 84 GLN N . 16850 1 1035 . 2 1 85 85 LYS H H 1 8.990 0.0 . 1 . . . . . 85 LYS H . 16850 1 1036 . 2 1 85 85 LYS HA H 1 3.625 0.021 . 1 . . . . . 85 LYS HA . 16850 1 1037 . 2 1 85 85 LYS HB2 H 1 1.137 0.021 . 2 . . . . . 85 LYS HB2 . 16850 1 1038 . 2 1 85 85 LYS HB3 H 1 1.445 0.021 . 2 . . . . . 85 LYS HB3 . 16850 1 1039 . 2 1 85 85 LYS CA C 13 57.113 0.013 . 1 . . . . . 85 LYS CA . 16850 1 1040 . 2 1 85 85 LYS CB C 13 27.200 . . 1 . . . . . 85 LYS CB . 16850 1 1041 . 2 1 85 85 LYS N N 15 126.740 0.0 . 1 . . . . . 85 LYS N . 16850 1 1042 . 2 1 86 86 VAL H H 1 9.230 0.0 . 1 . . . . . 86 VAL H . 16850 1 1043 . 2 1 86 86 VAL HA H 1 4.258 0.023 . 1 . . . . . 86 VAL HA . 16850 1 1044 . 2 1 86 86 VAL CA C 13 60.620 0.0 . 1 . . . . . 86 VAL CA . 16850 1 1045 . 2 1 86 86 VAL CB C 13 31.850 0.0 . 1 . . . . . 86 VAL CB . 16850 1 1046 . 2 1 86 86 VAL N N 15 121.741 0.026 . 1 . . . . . 86 VAL N . 16850 1 1047 . 2 1 87 87 GLY H H 1 7.470 0.0 . 1 . . . . . 87 GLY H . 16850 1 1048 . 2 1 87 87 GLY HA2 H 1 3.565 0.021 . 2 . . . . . 87 GLY HA2 . 16850 1 1049 . 2 1 87 87 GLY HA3 H 1 3.985 0.021 . 2 . . . . . 87 GLY HA3 . 16850 1 1050 . 2 1 87 87 GLY CA C 13 45.910 0.0 . 1 . . . . . 87 GLY CA . 16850 1 1051 . 2 1 87 87 GLY N N 15 108.611 0.002 . 1 . . . . . 87 GLY N . 16850 1 1052 . 2 1 88 88 GLU H H 1 8.620 . . 1 . . . . . 88 GLU H . 16850 1 1053 . 2 1 88 88 GLU HA H 1 5.215 0.021 . 1 . . . . . 88 GLU HA . 16850 1 1054 . 2 1 88 88 GLU CA C 13 55.920 . . 1 . . . . . 88 GLU CA . 16850 1 1055 . 2 1 88 88 GLU CB C 13 32.790 . . 1 . . . . . 88 GLU CB . 16850 1 1056 . 2 1 88 88 GLU N N 15 118.480 0.0 . 1 . . . . . 88 GLU N . 16850 1 1057 . 2 1 89 89 PHE H H 1 9.143 0.0 . 1 . . . . . 89 PHE H . 16850 1 1058 . 2 1 89 89 PHE HA H 1 4.715 0.021 . 1 . . . . . 89 PHE HA . 16850 1 1059 . 2 1 89 89 PHE CA C 13 58.090 0.0 . 1 . . . . . 89 PHE CA . 16850 1 1060 . 2 1 89 89 PHE CB C 13 41.530 0.0 . 1 . . . . . 89 PHE CB . 16850 1 1061 . 2 1 89 89 PHE N N 15 120.550 0.0 . 1 . . . . . 89 PHE N . 16850 1 1062 . 2 1 90 90 SER H H 1 8.770 0.0 . 1 . . . . . 90 SER H . 16850 1 1063 . 2 1 90 90 SER HA H 1 4.985 0.021 . 1 . . . . . 90 SER HA . 16850 1 1064 . 2 1 90 90 SER HB2 H 1 3.365 0.021 . 2 . . . . . 90 SER HB2 . 16850 1 1065 . 2 1 90 90 SER HB3 H 1 3.555 0.021 . 2 . . . . . 90 SER HB3 . 16850 1 1066 . 2 1 90 90 SER CA C 13 56.970 0.0 . 1 . . . . . 90 SER CA . 16850 1 1067 . 2 1 90 90 SER CB C 13 65.650 . . 1 . . . . . 90 SER CB . 16850 1 1068 . 2 1 90 90 SER N N 15 118.841 0.003 . 1 . . . . . 90 SER N . 16850 1 1069 . 2 1 91 91 GLY H H 1 7.830 0.0 . 1 . . . . . 91 GLY H . 16850 1 1070 . 2 1 91 91 GLY HA2 H 1 4.049 0.021 . 2 . . . . . 91 GLY HA2 . 16850 1 1071 . 2 1 91 91 GLY HA3 H 1 4.195 0.021 . 2 . . . . . 91 GLY HA3 . 16850 1 1072 . 2 1 91 91 GLY CA C 13 43.890 . . 1 . . . . . 91 GLY CA . 16850 1 1073 . 2 1 91 91 GLY N N 15 110.600 0.0 . 1 . . . . . 91 GLY N . 16850 1 1074 . 2 1 92 92 ALA H H 1 8.470 0.0 . 1 . . . . . 92 ALA H . 16850 1 1075 . 2 1 92 92 ALA HA H 1 4.685 0.021 . 1 . . . . . 92 ALA HA . 16850 1 1076 . 2 1 92 92 ALA HB1 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB1 . 16850 1 1077 . 2 1 92 92 ALA HB2 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB2 . 16850 1 1078 . 2 1 92 92 ALA HB3 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB3 . 16850 1 1079 . 2 1 92 92 ALA CA C 13 50.640 0.0 . 1 . . . . . 92 ALA CA . 16850 1 1080 . 2 1 92 92 ALA CB C 13 18.410 0.0 . 1 . . . . . 92 ALA CB . 16850 1 1081 . 2 1 92 92 ALA N N 15 122.200 . . 1 . . . . . 92 ALA N . 16850 1 1082 . 2 1 93 93 ASN H H 1 7.540 0.0 . 1 . . . . . 93 ASN H . 16850 1 1083 . 2 1 93 93 ASN HA H 1 4.445 0.021 . 1 . . . . . 93 ASN HA . 16850 1 1084 . 2 1 93 93 ASN HB2 H 1 2.415 0.021 . 2 . . . . . 93 ASN HB2 . 16850 1 1085 . 2 1 93 93 ASN HB3 H 1 2.645 0.021 . 2 . . . . . 93 ASN HB3 . 16850 1 1086 . 2 1 93 93 ASN CA C 13 52.540 . . 1 . . . . . 93 ASN CA . 16850 1 1087 . 2 1 93 93 ASN CB C 13 38.600 . . 1 . . . . . 93 ASN CB . 16850 1 1088 . 2 1 93 93 ASN N N 15 121.300 0.0 . 1 . . . . . 93 ASN N . 16850 1 1089 . 2 1 94 94 LYS H H 1 8.500 0.0 . 1 . . . . . 94 LYS H . 16850 1 1090 . 2 1 94 94 LYS HA H 1 3.215 0.021 . 1 . . . . . 94 LYS HA . 16850 1 1091 . 2 1 94 94 LYS HB2 H 1 0.605 0.021 . 2 . . . . . 94 LYS HB2 . 16850 1 1092 . 2 1 94 94 LYS HB3 H 1 0.955 0.021 . 2 . . . . . 94 LYS HB3 . 16850 1 1093 . 2 1 94 94 LYS CA C 13 60.400 0.0 . 1 . . . . . 94 LYS CA . 16850 1 1094 . 2 1 94 94 LYS CB C 13 31.960 . . 1 . . . . . 94 LYS CB . 16850 1 1095 . 2 1 94 94 LYS N N 15 126.850 0.0 . 1 . . . . . 94 LYS N . 16850 1 1096 . 2 1 95 95 GLU H H 1 8.310 0.0 . 1 . . . . . 95 GLU H . 16850 1 1097 . 2 1 95 95 GLU HA H 1 3.805 0.021 . 1 . . . . . 95 GLU HA . 16850 1 1098 . 2 1 95 95 GLU CA C 13 59.960 0.0 . 1 . . . . . 95 GLU CA . 16850 1 1099 . 2 1 95 95 GLU CB C 13 28.250 0.0 . 1 . . . . . 95 GLU CB . 16850 1 1100 . 2 1 95 95 GLU N N 15 119.800 0.0 . 1 . . . . . 95 GLU N . 16850 1 1101 . 2 1 96 96 LYS H H 1 7.900 0.0 . 1 . . . . . 96 LYS H . 16850 1 1102 . 2 1 96 96 LYS HA H 1 3.625 0.021 . 1 . . . . . 96 LYS HA . 16850 1 1103 . 2 1 96 96 LYS CA C 13 58.200 . . 1 . . . . . 96 LYS CA . 16850 1 1104 . 2 1 96 96 LYS CB C 13 31.900 0.0 . 1 . . . . . 96 LYS CB . 16850 1 1105 . 2 1 96 96 LYS N N 15 121.600 0.0 . 1 . . . . . 96 LYS N . 16850 1 1106 . 2 1 97 97 LEU H H 1 7.870 0.0 . 1 . . . . . 97 LEU H . 16850 1 1107 . 2 1 97 97 LEU HA H 1 3.705 0.021 . 1 . . . . . 97 LEU HA . 16850 1 1108 . 2 1 97 97 LEU HB2 H 1 1.675 0.021 . 2 . . . . . 97 LEU HB2 . 16850 1 1109 . 2 1 97 97 LEU HB3 H 1 1.785 0.021 . 2 . . . . . 97 LEU HB3 . 16850 1 1110 . 2 1 97 97 LEU CA C 13 58.840 . . 1 . . . . . 97 LEU CA . 16850 1 1111 . 2 1 97 97 LEU CB C 13 29.400 . . 1 . . . . . 97 LEU CB . 16850 1 1112 . 2 1 97 97 LEU N N 15 118.960 0.0 . 1 . . . . . 97 LEU N . 16850 1 1113 . 2 1 98 98 GLU H H 1 7.740 0.0 . 1 . . . . . 98 GLU H . 16850 1 1114 . 2 1 98 98 GLU HA H 1 3.705 0.021 . 1 . . . . . 98 GLU HA . 16850 1 1115 . 2 1 98 98 GLU HB2 H 1 1.675 0.021 . 2 . . . . . 98 GLU HB2 . 16850 1 1116 . 2 1 98 98 GLU HB3 H 1 1.785 0.021 . 2 . . . . . 98 GLU HB3 . 16850 1 1117 . 2 1 98 98 GLU CA C 13 58.800 0.0 . 1 . . . . . 98 GLU CA . 16850 1 1118 . 2 1 98 98 GLU CB C 13 29.500 0.0 . 1 . . . . . 98 GLU CB . 16850 1 1119 . 2 1 98 98 GLU N N 15 118.400 0.0 . 1 . . . . . 98 GLU N . 16850 1 1120 . 2 1 99 99 ALA H H 1 8.290 0.0 . 1 . . . . . 99 ALA H . 16850 1 1121 . 2 1 99 99 ALA HA H 1 3.815 0.021 . 1 . . . . . 99 ALA HA . 16850 1 1122 . 2 1 99 99 ALA HB1 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB1 . 16850 1 1123 . 2 1 99 99 ALA HB2 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB2 . 16850 1 1124 . 2 1 99 99 ALA HB3 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB3 . 16850 1 1125 . 2 1 99 99 ALA CA C 13 55.160 0.0 . 1 . . . . . 99 ALA CA . 16850 1 1126 . 2 1 99 99 ALA CB C 13 17.800 0.0 . 1 . . . . . 99 ALA CB . 16850 1 1127 . 2 1 99 99 ALA N N 15 120.980 0.0 . 1 . . . . . 99 ALA N . 16850 1 1128 . 2 1 100 100 THR H H 1 7.660 0.0 . 1 . . . . . 100 THR H . 16850 1 1129 . 2 1 100 100 THR HA H 1 3.738 0.022 . 1 . . . . . 100 THR HA . 16850 1 1130 . 2 1 100 100 THR HB H 1 0.988 0.022 . 1 . . . . . 100 THR HB . 16850 1 1131 . 2 1 100 100 THR CA C 13 54.550 0.0 . 1 . . . . . 100 THR CA . 16850 1 1132 . 2 1 100 100 THR CB C 13 72.280 . . 1 . . . . . 100 THR CB . 16850 1 1133 . 2 1 100 100 THR N N 15 118.180 0.0 . 1 . . . . . 100 THR N . 16850 1 1134 . 2 1 107 107 GLU H H 1 7.990 0.0 . 1 . . . . . 107 GLU H . 16850 1 1135 . 2 1 107 107 GLU HA H 1 3.865 0.021 . 1 . . . . . 107 GLU HA . 16850 1 1136 . 2 1 107 107 GLU CA C 13 56.683 . . 1 . . . . . 107 GLU CA . 16850 1 1137 . 2 1 107 107 GLU CB C 13 29.753 0.012 . 1 . . . . . 107 GLU CB . 16850 1 1138 . 2 1 107 107 GLU N N 15 120.958 0.0 . 1 . . . . . 107 GLU N . 16850 1 1139 . 2 1 108 108 HIS H H 1 8.350 0.0 . 1 . . . . . 108 HIS H . 16850 1 1140 . 2 1 108 108 HIS HA H 1 4.275 0.021 . 1 . . . . . 108 HIS HA . 16850 1 1141 . 2 1 108 108 HIS CA C 13 55.642 0.044 . 1 . . . . . 108 HIS CA . 16850 1 1142 . 2 1 108 108 HIS CB C 13 29.629 0.012 . 1 . . . . . 108 HIS CB . 16850 1 1143 . 2 1 108 108 HIS N N 15 119.860 0.016 . 1 . . . . . 108 HIS N . 16850 1 1144 . 2 1 109 109 HIS H H 1 8.570 0.0 . 1 . . . . . 109 HIS H . 16850 1 1145 . 2 1 109 109 HIS CA C 13 55.630 0.0 . 1 . . . . . 109 HIS CA . 16850 1 1146 . 2 1 109 109 HIS CB C 13 29.513 . . 1 . . . . . 109 HIS CB . 16850 1 1147 . 2 1 109 109 HIS N N 15 121.388 0.006 . 1 . . . . . 109 HIS N . 16850 1 1148 . 2 1 110 110 HIS H H 1 8.230 0.001 . 1 . . . . . 110 HIS H . 16850 1 1149 . 2 1 110 110 HIS HA H 1 4.108 0.022 . 1 . . . . . 110 HIS HA . 16850 1 1150 . 2 1 110 110 HIS CA C 13 57.142 0.0 . 1 . . . . . 110 HIS CA . 16850 1 1151 . 2 1 110 110 HIS CB C 13 29.621 . . 1 . . . . . 110 HIS CB . 16850 1 1152 . 2 1 110 110 HIS N N 15 126.055 0.0 . 1 . . . . . 110 HIS N . 16850 1 stop_ save_