################################### # 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 17592 _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 2 '3D HNCO' . . . 17592 1 3 '3D HNCA' . . . 17592 1 4 '3D HNCACB' . . . 17592 1 5 '3D HN(CO)CA' . . . 17592 1 7 '3D HN(CO)CACB' . . . 17592 1 8 '3D HN(CA)CO' . . . 17592 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 174.100 0.3 . 1 . . . . 1 SER C . 17592 1 2 . 1 1 1 1 SER CA C 13 58.200 0.3 . 1 . . . . 1 SER CA . 17592 1 3 . 1 1 1 1 SER CB C 13 63.100 0.3 . 1 . . . . 1 SER CB . 17592 1 4 . 1 1 2 2 LEU H H 1 8.470 0.02 . 1 . . . . 2 LEU H . 17592 1 5 . 1 1 2 2 LEU C C 13 176.600 0.3 . 1 . . . . 2 LEU C . 17592 1 6 . 1 1 2 2 LEU CA C 13 54.800 0.3 . 1 . . . . 2 LEU CA . 17592 1 7 . 1 1 2 2 LEU CB C 13 42.200 0.3 . 1 . . . . 2 LEU CB . 17592 1 8 . 1 1 2 2 LEU N N 15 125.000 0.3 . 1 . . . . 2 LEU N . 17592 1 9 . 1 1 3 3 SER H H 1 8.400 0.02 . 1 . . . . 3 SER H . 17592 1 10 . 1 1 3 3 SER C C 13 173.600 0.3 . 1 . . . . 3 SER C . 17592 1 11 . 1 1 3 3 SER CA C 13 56.500 0.3 . 1 . . . . 3 SER CA . 17592 1 12 . 1 1 3 3 SER CB C 13 62.900 0.3 . 1 . . . . 3 SER CB . 17592 1 13 . 1 1 3 3 SER N N 15 118.700 0.3 . 1 . . . . 3 SER N . 17592 1 14 . 1 1 4 4 ILE H H 1 8.910 0.02 . 1 . . . . 4 ILE H . 17592 1 15 . 1 1 4 4 ILE C C 13 174.100 0.3 . 1 . . . . 4 ILE C . 17592 1 16 . 1 1 4 4 ILE CA C 13 60.300 0.3 . 1 . . . . 4 ILE CA . 17592 1 17 . 1 1 4 4 ILE CB C 13 38.700 0.3 . 1 . . . . 4 ILE CB . 17592 1 18 . 1 1 4 4 ILE N N 15 125.800 0.3 . 1 . . . . 4 ILE N . 17592 1 19 . 1 1 5 5 GLY H H 1 8.260 0.02 . 1 . . . . 5 GLY H . 17592 1 20 . 1 1 5 5 GLY C C 13 174.300 0.3 . 1 . . . . 5 GLY C . 17592 1 21 . 1 1 5 5 GLY CA C 13 42.900 0.3 . 1 . . . . 5 GLY CA . 17592 1 22 . 1 1 5 5 GLY N N 15 111.100 0.3 . 1 . . . . 5 GLY N . 17592 1 23 . 1 1 6 6 ARG H H 1 8.970 0.02 . 1 . . . . 6 ARG H . 17592 1 24 . 1 1 6 6 ARG C C 13 178.200 0.3 . 1 . . . . 6 ARG C . 17592 1 25 . 1 1 6 6 ARG CA C 13 52.900 0.3 . 1 . . . . 6 ARG CA . 17592 1 26 . 1 1 6 6 ARG CB C 13 33.200 0.3 . 1 . . . . 6 ARG CB . 17592 1 27 . 1 1 6 6 ARG N N 15 116.700 0.3 . 1 . . . . 6 ARG N . 17592 1 28 . 1 1 7 7 THR C C 13 173.900 0.3 . 1 . . . . 7 THR C . 17592 1 29 . 1 1 7 7 THR CA C 13 62.500 0.3 . 1 . . . . 7 THR CA . 17592 1 30 . 1 1 7 7 THR CB C 13 68.700 0.3 . 1 . . . . 7 THR CB . 17592 1 31 . 1 1 8 8 CYS H H 1 7.520 0.02 . 1 . . . . 8 CYS H . 17592 1 32 . 1 1 8 8 CYS C C 13 171.900 0.3 . 1 . . . . 8 CYS C . 17592 1 33 . 1 1 8 8 CYS CA C 13 58.300 0.3 . 1 . . . . 8 CYS CA . 17592 1 34 . 1 1 8 8 CYS CB C 13 27.000 0.3 . 1 . . . . 8 CYS CB . 17592 1 35 . 1 1 8 8 CYS N N 15 122.300 0.3 . 1 . . . . 8 CYS N . 17592 1 36 . 1 1 9 9 TRP H H 1 9.650 0.02 . 1 . . . . 9 TRP H . 17592 1 37 . 1 1 9 9 TRP C C 13 175.000 0.3 . 1 . . . . 9 TRP C . 17592 1 38 . 1 1 9 9 TRP CA C 13 54.600 0.3 . 1 . . . . 9 TRP CA . 17592 1 39 . 1 1 9 9 TRP CB C 13 33.300 0.3 . 1 . . . . 9 TRP CB . 17592 1 40 . 1 1 9 9 TRP N N 15 129.700 0.3 . 1 . . . . 9 TRP N . 17592 1 41 . 1 1 10 10 ALA H H 1 9.940 0.02 . 1 . . . . 10 ALA H . 17592 1 42 . 1 1 10 10 ALA C C 13 175.000 0.3 . 1 . . . . 10 ALA C . 17592 1 43 . 1 1 10 10 ALA CA C 13 51.000 0.3 . 1 . . . . 10 ALA CA . 17592 1 44 . 1 1 10 10 ALA CB C 13 23.600 0.3 . 1 . . . . 10 ALA CB . 17592 1 45 . 1 1 10 10 ALA N N 15 121.200 0.3 . 1 . . . . 10 ALA N . 17592 1 46 . 1 1 11 11 ILE H H 1 9.090 0.02 . 1 . . . . 11 ILE H . 17592 1 47 . 1 1 11 11 ILE C C 13 174.700 0.3 . 1 . . . . 11 ILE C . 17592 1 48 . 1 1 11 11 ILE CA C 13 61.700 0.3 . 1 . . . . 11 ILE CA . 17592 1 49 . 1 1 11 11 ILE CB C 13 39.400 0.3 . 1 . . . . 11 ILE CB . 17592 1 50 . 1 1 11 11 ILE N N 15 123.200 0.3 . 1 . . . . 11 ILE N . 17592 1 51 . 1 1 12 12 ALA H H 1 6.830 0.02 . 1 . . . . 12 ALA H . 17592 1 52 . 1 1 12 12 ALA C C 13 174.500 0.3 . 1 . . . . 12 ALA C . 17592 1 53 . 1 1 12 12 ALA CA C 13 52.700 0.3 . 1 . . . . 12 ALA CA . 17592 1 54 . 1 1 12 12 ALA CB C 13 18.600 0.3 . 1 . . . . 12 ALA CB . 17592 1 55 . 1 1 12 12 ALA N N 15 125.600 0.3 . 1 . . . . 12 ALA N . 17592 1 56 . 1 1 13 13 GLU H H 1 6.380 0.02 . 1 . . . . 13 GLU H . 17592 1 57 . 1 1 13 13 GLU C C 13 173.600 0.3 . 1 . . . . 13 GLU C . 17592 1 58 . 1 1 13 13 GLU CA C 13 53.900 0.3 . 1 . . . . 13 GLU CA . 17592 1 59 . 1 1 13 13 GLU CB C 13 33.400 0.3 . 1 . . . . 13 GLU CB . 17592 1 60 . 1 1 13 13 GLU N N 15 117.500 0.3 . 1 . . . . 13 GLU N . 17592 1 61 . 1 1 18 18 PRO C C 13 175.100 0.3 . 1 . . . . 18 PRO C . 17592 1 62 . 1 1 18 18 PRO CA C 13 63.600 0.3 . 1 . . . . 18 PRO CA . 17592 1 63 . 1 1 18 18 PRO CB C 13 31.700 0.3 . 1 . . . . 18 PRO CB . 17592 1 64 . 1 1 19 19 TYR H H 1 6.920 0.02 . 1 . . . . 19 TYR H . 17592 1 65 . 1 1 19 19 TYR C C 13 173.400 0.3 . 1 . . . . 19 TYR C . 17592 1 66 . 1 1 19 19 TYR CA C 13 56.200 0.3 . 1 . . . . 19 TYR CA . 17592 1 67 . 1 1 19 19 TYR CB C 13 38.100 0.3 . 1 . . . . 19 TYR CB . 17592 1 68 . 1 1 19 19 TYR N N 15 114.200 0.3 . 1 . . . . 19 TYR N . 17592 1 69 . 1 1 20 20 GLY H H 1 8.260 0.02 . 1 . . . . 20 GLY H . 17592 1 70 . 1 1 20 20 GLY C C 13 171.200 0.3 . 1 . . . . 20 GLY C . 17592 1 71 . 1 1 20 20 GLY CA C 13 44.800 0.3 . 1 . . . . 20 GLY CA . 17592 1 72 . 1 1 20 20 GLY N N 15 108.300 0.3 . 1 . . . . 20 GLY N . 17592 1 73 . 1 1 21 21 ASN H H 1 8.480 0.02 . 1 . . . . 21 ASN H . 17592 1 74 . 1 1 21 21 ASN C C 13 173.800 0.3 . 1 . . . . 21 ASN C . 17592 1 75 . 1 1 21 21 ASN CA C 13 53.300 0.3 . 1 . . . . 21 ASN CA . 17592 1 76 . 1 1 21 21 ASN CB C 13 42.700 0.3 . 1 . . . . 21 ASN CB . 17592 1 77 . 1 1 21 21 ASN N N 15 118.100 0.3 . 1 . . . . 21 ASN N . 17592 1 78 . 1 1 22 22 GLY H H 1 8.430 0.02 . 1 . . . . 22 GLY H . 17592 1 79 . 1 1 22 22 GLY C C 13 172.200 0.3 . 1 . . . . 22 GLY C . 17592 1 80 . 1 1 22 22 GLY CA C 13 43.500 0.3 . 1 . . . . 22 GLY CA . 17592 1 81 . 1 1 22 22 GLY N N 15 108.100 0.3 . 1 . . . . 22 GLY N . 17592 1 82 . 1 1 23 23 PRO C C 13 176.700 0.3 . 1 . . . . 23 PRO C . 17592 1 83 . 1 1 23 23 PRO CA C 13 63.200 0.3 . 1 . . . . 23 PRO CA . 17592 1 84 . 1 1 23 23 PRO CB C 13 31.100 0.3 . 1 . . . . 23 PRO CB . 17592 1 85 . 1 1 24 24 GLU H H 1 8.320 0.02 . 1 . . . . 24 GLU H . 17592 1 86 . 1 1 24 24 GLU C C 13 174.600 0.3 . 1 . . . . 24 GLU C . 17592 1 87 . 1 1 24 24 GLU CA C 13 54.500 0.3 . 1 . . . . 24 GLU CA . 17592 1 88 . 1 1 24 24 GLU CB C 13 28.800 0.3 . 1 . . . . 24 GLU CB . 17592 1 89 . 1 1 24 24 GLU N N 15 121.900 0.3 . 1 . . . . 24 GLU N . 17592 1 90 . 1 1 27 27 PHE H H 1 8.580 0.02 . 1 . . . . 27 PHE H . 17592 1 91 . 1 1 27 27 PHE CA C 13 58.700 0.3 . 1 . . . . 27 PHE CA . 17592 1 92 . 1 1 27 27 PHE CB C 13 37.000 0.3 . 1 . . . . 27 PHE CB . 17592 1 93 . 1 1 27 27 PHE N N 15 111.100 0.3 . 1 . . . . 27 PHE N . 17592 1 94 . 1 1 28 28 ILE H H 1 6.910 0.02 . 1 . . . . 28 ILE H . 17592 1 95 . 1 1 28 28 ILE C C 13 176.600 0.3 . 1 . . . . 28 ILE C . 17592 1 96 . 1 1 28 28 ILE CA C 13 61.700 0.3 . 1 . . . . 28 ILE CA . 17592 1 97 . 1 1 28 28 ILE CB C 13 38.500 0.3 . 1 . . . . 28 ILE CB . 17592 1 98 . 1 1 28 28 ILE N N 15 123.400 0.3 . 1 . . . . 28 ILE N . 17592 1 99 . 1 1 29 29 SER H H 1 8.220 0.02 . 1 . . . . 29 SER H . 17592 1 100 . 1 1 29 29 SER CA C 13 175.20 0.3 . 1 . . . . 29 SER CA . 17592 1 101 . 1 1 29 29 SER N N 15 106.800 0.3 . 1 . . . . 29 SER N . 17592 1 102 . 1 1 33 33 VAL H H 1 9.070 0.02 . 1 . . . . 33 VAL H . 17592 1 103 . 1 1 33 33 VAL C C 13 173.700 0.3 . 1 . . . . 33 VAL C . 17592 1 104 . 1 1 33 33 VAL CA C 13 58.600 0.3 . 1 . . . . 33 VAL CA . 17592 1 105 . 1 1 33 33 VAL CB C 13 32.700 0.3 . 1 . . . . 33 VAL CB . 17592 1 106 . 1 1 33 33 VAL N N 15 123.200 0.3 . 1 . . . . 33 VAL N . 17592 1 107 . 1 1 34 34 CYS H H 1 9.460 0.02 . 1 . . . . 34 CYS H . 17592 1 108 . 1 1 34 34 CYS C C 13 174.100 0.3 . 1 . . . . 34 CYS C . 17592 1 109 . 1 1 34 34 CYS CA C 13 57.500 0.3 . 1 . . . . 34 CYS CA . 17592 1 110 . 1 1 34 34 CYS CB C 13 27.300 0.3 . 1 . . . . 34 CYS CB . 17592 1 111 . 1 1 34 34 CYS N N 15 126.600 0.3 . 1 . . . . 34 CYS N . 17592 1 112 . 1 1 35 35 ILE H H 1 8.850 0.02 . 1 . . . . 35 ILE H . 17592 1 113 . 1 1 35 35 ILE C C 13 175.000 0.3 . 1 . . . . 35 ILE C . 17592 1 114 . 1 1 35 35 ILE CA C 13 59.700 0.3 . 1 . . . . 35 ILE CA . 17592 1 115 . 1 1 35 35 ILE CB C 13 39.700 0.3 . 1 . . . . 35 ILE CB . 17592 1 116 . 1 1 35 35 ILE N N 15 122.000 0.3 . 1 . . . . 35 ILE N . 17592 1 117 . 1 1 36 36 LEU H H 1 9.090 0.02 . 1 . . . . 36 LEU H . 17592 1 118 . 1 1 36 36 LEU C C 13 173.300 0.3 . 1 . . . . 36 LEU C . 17592 1 119 . 1 1 36 36 LEU CA C 13 53.100 0.3 . 1 . . . . 36 LEU CA . 17592 1 120 . 1 1 36 36 LEU CB C 13 43.200 0.3 . 1 . . . . 36 LEU CB . 17592 1 121 . 1 1 36 36 LEU N N 15 130.700 0.3 . 1 . . . . 36 LEU N . 17592 1 122 . 1 1 37 37 ASN H H 1 8.570 0.02 . 1 . . . . 37 ASN H . 17592 1 123 . 1 1 37 37 ASN C C 13 172.900 0.3 . 1 . . . . 37 ASN C . 17592 1 124 . 1 1 37 37 ASN CA C 13 50.200 0.3 . 1 . . . . 37 ASN CA . 17592 1 125 . 1 1 37 37 ASN CB C 13 38.100 0.3 . 1 . . . . 37 ASN CB . 17592 1 126 . 1 1 37 37 ASN N N 15 124.600 0.3 . 1 . . . . 37 ASN N . 17592 1 127 . 1 1 38 38 ALA H H 1 8.790 0.02 . 1 . . . . 38 ALA H . 17592 1 128 . 1 1 38 38 ALA C C 13 177.100 0.3 . 1 . . . . 38 ALA C . 17592 1 129 . 1 1 38 38 ALA CA C 13 51.000 0.3 . 1 . . . . 38 ALA CA . 17592 1 130 . 1 1 38 38 ALA CB C 13 17.400 0.3 . 1 . . . . 38 ALA CB . 17592 1 131 . 1 1 38 38 ALA N N 15 123.800 0.3 . 1 . . . . 38 ALA N . 17592 1 132 . 1 1 39 39 GLY H H 1 7.810 0.02 . 1 . . . . 39 GLY H . 17592 1 133 . 1 1 39 39 GLY C C 13 172.000 0.3 . 1 . . . . 39 GLY C . 17592 1 134 . 1 1 39 39 GLY CA C 13 44.000 0.3 . 1 . . . . 39 GLY CA . 17592 1 135 . 1 1 39 39 GLY N N 15 106.000 0.3 . 1 . . . . 39 GLY N . 17592 1 136 . 1 1 40 40 ASP H H 1 8.100 0.02 . 1 . . . . 40 ASP H . 17592 1 137 . 1 1 40 40 ASP C C 13 175.800 0.3 . 1 . . . . 40 ASP C . 17592 1 138 . 1 1 40 40 ASP CA C 13 54.700 0.3 . 1 . . . . 40 ASP CA . 17592 1 139 . 1 1 40 40 ASP CB C 13 41.200 0.3 . 1 . . . . 40 ASP CB . 17592 1 140 . 1 1 40 40 ASP N N 15 112.300 0.3 . 1 . . . . 40 ASP N . 17592 1 141 . 1 1 41 41 GLU H H 1 7.840 0.02 . 1 . . . . 41 GLU H . 17592 1 142 . 1 1 41 41 GLU C C 13 175.300 0.3 . 1 . . . . 41 GLU C . 17592 1 143 . 1 1 41 41 GLU CA C 13 53.700 0.3 . 1 . . . . 41 GLU CA . 17592 1 144 . 1 1 41 41 GLU CB C 13 31.700 0.3 . 1 . . . . 41 GLU CB . 17592 1 145 . 1 1 41 41 GLU N N 15 119.800 0.3 . 1 . . . . 41 GLU N . 17592 1 146 . 1 1 42 42 ASP H H 1 8.820 0.02 . 1 . . . . 42 ASP H . 17592 1 147 . 1 1 42 42 ASP C C 13 173.200 0.3 . 1 . . . . 42 ASP C . 17592 1 148 . 1 1 42 42 ASP CA C 13 54.900 0.3 . 1 . . . . 42 ASP CA . 17592 1 149 . 1 1 42 42 ASP CB C 13 39.900 0.3 . 1 . . . . 42 ASP CB . 17592 1 150 . 1 1 42 42 ASP N N 15 124.400 0.3 . 1 . . . . 42 ASP N . 17592 1 151 . 1 1 43 43 ALA H H 1 8.240 0.02 . 1 . . . . 43 ALA H . 17592 1 152 . 1 1 43 43 ALA C C 13 175.800 0.3 . 1 . . . . 43 ALA C . 17592 1 153 . 1 1 43 43 ALA CA C 13 49.600 0.3 . 1 . . . . 43 ALA CA . 17592 1 154 . 1 1 43 43 ALA CB C 13 18.000 0.3 . 1 . . . . 43 ALA CB . 17592 1 155 . 1 1 43 43 ALA N N 15 123.300 0.3 . 1 . . . . 43 ALA N . 17592 1 156 . 1 1 44 44 HIS H H 1 9.300 0.02 . 1 . . . . 44 HIS H . 17592 1 157 . 1 1 44 44 HIS C C 13 174.300 0.3 . 1 . . . . 44 HIS C . 17592 1 158 . 1 1 44 44 HIS CA C 13 54.900 0.3 . 1 . . . . 44 HIS CA . 17592 1 159 . 1 1 44 44 HIS CB C 13 27.800 0.3 . 1 . . . . 44 HIS CB . 17592 1 160 . 1 1 44 44 HIS N N 15 127.300 0.3 . 1 . . . . 44 HIS N . 17592 1 161 . 1 1 45 45 VAL H H 1 9.030 0.02 . 1 . . . . 45 VAL H . 17592 1 162 . 1 1 45 45 VAL C C 13 175.800 0.3 . 1 . . . . 45 VAL C . 17592 1 163 . 1 1 45 45 VAL CA C 13 61.300 0.3 . 1 . . . . 45 VAL CA . 17592 1 164 . 1 1 45 45 VAL CB C 13 32.200 0.3 . 1 . . . . 45 VAL CB . 17592 1 165 . 1 1 45 45 VAL N N 15 126.800 0.3 . 1 . . . . 45 VAL N . 17592 1 166 . 1 1 46 46 GLU H H 1 9.460 0.02 . 1 . . . . 46 GLU H . 17592 1 167 . 1 1 46 46 GLU C C 13 176.200 0.3 . 1 . . . . 46 GLU C . 17592 1 168 . 1 1 46 46 GLU CA C 13 54.500 0.3 . 1 . . . . 46 GLU CA . 17592 1 169 . 1 1 46 46 GLU CB C 13 32.200 0.3 . 1 . . . . 46 GLU CB . 17592 1 170 . 1 1 46 46 GLU N N 15 126.300 0.3 . 1 . . . . 46 GLU N . 17592 1 171 . 1 1 47 47 ILE H H 1 9.820 0.02 . 1 . . . . 47 ILE H . 17592 1 172 . 1 1 47 47 ILE C C 13 175.800 0.3 . 1 . . . . 47 ILE C . 17592 1 173 . 1 1 47 47 ILE CA C 13 60.400 0.3 . 1 . . . . 47 ILE CA . 17592 1 174 . 1 1 47 47 ILE CB C 13 41.000 0.3 . 1 . . . . 47 ILE CB . 17592 1 175 . 1 1 47 47 ILE N N 15 127.400 0.3 . 1 . . . . 47 ILE N . 17592 1 176 . 1 1 48 48 THR H H 1 9.590 0.02 . 1 . . . . 48 THR H . 17592 1 177 . 1 1 48 48 THR C C 13 172.000 0.3 . 1 . . . . 48 THR C . 17592 1 178 . 1 1 48 48 THR CA C 13 62.800 0.3 . 1 . . . . 48 THR CA . 17592 1 179 . 1 1 48 48 THR CB C 13 70.200 0.3 . 1 . . . . 48 THR CB . 17592 1 180 . 1 1 48 48 THR N N 15 126.800 0.3 . 1 . . . . 48 THR N . 17592 1 181 . 1 1 49 49 ILE H H 1 9.050 0.02 . 1 . . . . 49 ILE H . 17592 1 182 . 1 1 49 49 ILE C C 13 174.300 0.3 . 1 . . . . 49 ILE C . 17592 1 183 . 1 1 49 49 ILE CA C 13 57.200 0.3 . 1 . . . . 49 ILE CA . 17592 1 184 . 1 1 49 49 ILE CB C 13 35.900 0.3 . 1 . . . . 49 ILE CB . 17592 1 185 . 1 1 49 49 ILE N N 15 128.800 0.3 . 1 . . . . 49 ILE N . 17592 1 186 . 1 1 50 50 TYR H H 1 8.790 0.02 . 1 . . . . 50 TYR H . 17592 1 187 . 1 1 50 50 TYR C C 13 173.800 0.3 . 1 . . . . 50 TYR C . 17592 1 188 . 1 1 50 50 TYR CA C 13 56.000 0.3 . 1 . . . . 50 TYR CA . 17592 1 189 . 1 1 50 50 TYR N N 15 124.900 0.3 . 1 . . . . 50 TYR N . 17592 1 190 . 1 1 51 51 TYR H H 1 10.000 0.02 . 1 . . . . 51 TYR H . 17592 1 191 . 1 1 51 51 TYR C C 13 176.600 0.3 . 1 . . . . 51 TYR C . 17592 1 192 . 1 1 51 51 TYR CA C 13 56.700 0.3 . 1 . . . . 51 TYR CA . 17592 1 193 . 1 1 51 51 TYR CB C 13 43.500 0.3 . 1 . . . . 51 TYR CB . 17592 1 194 . 1 1 51 51 TYR N N 15 117.400 0.3 . 1 . . . . 51 TYR N . 17592 1 195 . 1 1 52 52 SER H H 1 9.550 0.02 . 1 . . . . 52 SER H . 17592 1 196 . 1 1 52 52 SER C C 13 178.400 0.3 . 1 . . . . 52 SER C . 17592 1 197 . 1 1 52 52 SER CA C 13 59.500 0.3 . 1 . . . . 52 SER CA . 17592 1 198 . 1 1 52 52 SER CB C 13 64.400 0.3 . 1 . . . . 52 SER CB . 17592 1 199 . 1 1 52 52 SER N N 15 114.900 0.3 . 1 . . . . 52 SER N . 17592 1 200 . 1 1 53 53 ASP H H 1 8.400 0.02 . 1 . . . . 53 ASP H . 17592 1 201 . 1 1 53 53 ASP C C 13 175.100 0.3 . 1 . . . . 53 ASP C . 17592 1 202 . 1 1 53 53 ASP CA C 13 53.100 0.3 . 1 . . . . 53 ASP CA . 17592 1 203 . 1 1 53 53 ASP CB C 13 40.800 0.3 . 1 . . . . 53 ASP CB . 17592 1 204 . 1 1 53 53 ASP N N 15 119.100 0.3 . 1 . . . . 53 ASP N . 17592 1 205 . 1 1 54 54 LYS H H 1 7.330 0.02 . 1 . . . . 54 LYS H . 17592 1 206 . 1 1 54 54 LYS C C 13 174.000 0.3 . 1 . . . . 54 LYS C . 17592 1 207 . 1 1 54 54 LYS CA C 13 54.500 0.3 . 1 . . . . 54 LYS CA . 17592 1 208 . 1 1 54 54 LYS CB C 13 33.700 0.3 . 1 . . . . 54 LYS CB . 17592 1 209 . 1 1 54 54 LYS N N 15 115.700 0.3 . 1 . . . . 54 LYS N . 17592 1 210 . 1 1 55 55 GLU H H 1 8.200 0.02 . 1 . . . . 55 GLU H . 17592 1 211 . 1 1 55 55 GLU C C 13 172.800 0.3 . 1 . . . . 55 GLU C . 17592 1 212 . 1 1 55 55 GLU CA C 13 55.400 0.3 . 1 . . . . 55 GLU CA . 17592 1 213 . 1 1 55 55 GLU CB C 13 28.300 0.3 . 1 . . . . 55 GLU CB . 17592 1 214 . 1 1 55 55 GLU N N 15 119.100 0.3 . 1 . . . . 55 GLU N . 17592 1 215 . 1 1 56 56 PRO C C 13 177.600 0.3 . 1 . . . . 56 PRO C . 17592 1 216 . 1 1 56 56 PRO CA C 13 62.500 0.3 . 1 . . . . 56 PRO CA . 17592 1 217 . 1 1 56 56 PRO CB C 13 31.500 0.3 . 1 . . . . 56 PRO CB . 17592 1 218 . 1 1 57 57 VAL H H 1 9.250 0.02 . 1 . . . . 57 VAL H . 17592 1 219 . 1 1 57 57 VAL C C 13 174.700 0.3 . 1 . . . . 57 VAL C . 17592 1 220 . 1 1 57 57 VAL CA C 13 61.200 0.3 . 1 . . . . 57 VAL CA . 17592 1 221 . 1 1 57 57 VAL CB C 13 34.400 0.3 . 1 . . . . 57 VAL CB . 17592 1 222 . 1 1 57 57 VAL N N 15 121.700 0.3 . 1 . . . . 57 VAL N . 17592 1 223 . 1 1 58 58 GLY H H 1 8.190 0.02 . 1 . . . . 58 GLY H . 17592 1 224 . 1 1 58 58 GLY C C 13 170.200 0.3 . 1 . . . . 58 GLY C . 17592 1 225 . 1 1 58 58 GLY CA C 13 44.000 0.3 . 1 . . . . 58 GLY CA . 17592 1 226 . 1 1 58 58 GLY N N 15 111.800 0.3 . 1 . . . . 58 GLY N . 17592 1 227 . 1 1 59 59 PRO C C 13 175.800 0.3 . 1 . . . . 59 PRO C . 17592 1 228 . 1 1 59 59 PRO CA C 13 61.600 0.3 . 1 . . . . 59 PRO CA . 17592 1 229 . 1 1 59 59 PRO CB C 13 33.400 0.3 . 1 . . . . 59 PRO CB . 17592 1 230 . 1 1 60 60 TYR H H 1 10.000 0.02 . 1 . . . . 60 TYR H . 17592 1 231 . 1 1 60 60 TYR C C 13 176.000 0.3 . 1 . . . . 60 TYR C . 17592 1 232 . 1 1 60 60 TYR CA C 13 57.400 0.3 . 1 . . . . 60 TYR CA . 17592 1 233 . 1 1 60 60 TYR CB C 13 37.100 0.3 . 1 . . . . 60 TYR CB . 17592 1 234 . 1 1 60 60 TYR N N 15 125.100 0.3 . 1 . . . . 60 TYR N . 17592 1 235 . 1 1 61 61 ARG H H 1 9.040 0.02 . 1 . . . . 61 ARG H . 17592 1 236 . 1 1 61 61 ARG C C 13 176.200 0.3 . 1 . . . . 61 ARG C . 17592 1 237 . 1 1 61 61 ARG CA C 13 55.900 0.3 . 1 . . . . 61 ARG CA . 17592 1 238 . 1 1 61 61 ARG CB C 13 30.900 0.3 . 1 . . . . 61 ARG CB . 17592 1 239 . 1 1 61 61 ARG N N 15 124.100 0.3 . 1 . . . . 61 ARG N . 17592 1 240 . 1 1 62 62 LEU H H 1 8.760 0.02 . 1 . . . . 62 LEU H . 17592 1 241 . 1 1 62 62 LEU C C 13 174.500 0.3 . 1 . . . . 62 LEU C . 17592 1 242 . 1 1 62 62 LEU CA C 13 54.700 0.3 . 1 . . . . 62 LEU CA . 17592 1 243 . 1 1 62 62 LEU CB C 13 43.300 0.3 . 1 . . . . 62 LEU CB . 17592 1 244 . 1 1 62 62 LEU N N 15 121.600 0.3 . 1 . . . . 62 LEU N . 17592 1 245 . 1 1 63 63 THR H H 1 8.670 0.02 . 1 . . . . 63 THR H . 17592 1 246 . 1 1 63 63 THR C C 13 174.500 0.3 . 1 . . . . 63 THR C . 17592 1 247 . 1 1 63 63 THR CA C 13 60.500 0.3 . 1 . . . . 63 THR CA . 17592 1 248 . 1 1 63 63 THR CB C 13 70.200 0.3 . 1 . . . . 63 THR CB . 17592 1 249 . 1 1 63 63 THR N N 15 118.300 0.3 . 1 . . . . 63 THR N . 17592 1 250 . 1 1 64 64 VAL H H 1 9.430 0.02 . 1 . . . . 64 VAL H . 17592 1 251 . 1 1 64 64 VAL C C 13 173.200 0.3 . 1 . . . . 64 VAL C . 17592 1 252 . 1 1 64 64 VAL CA C 13 59.200 0.3 . 1 . . . . 64 VAL CA . 17592 1 253 . 1 1 64 64 VAL CB C 13 31.400 0.3 . 1 . . . . 64 VAL CB . 17592 1 254 . 1 1 64 64 VAL N N 15 128.600 0.3 . 1 . . . . 64 VAL N . 17592 1 255 . 1 1 65 65 PRO C C 13 171.900 0.3 . 1 . . . . 65 PRO C . 17592 1 256 . 1 1 65 65 PRO CA C 13 62.000 0.3 . 1 . . . . 65 PRO CA . 17592 1 257 . 1 1 65 65 PRO CB C 13 31.400 0.3 . 1 . . . . 65 PRO CB . 17592 1 258 . 1 1 66 66 ALA H H 1 7.900 0.02 . 1 . . . . 66 ALA H . 17592 1 259 . 1 1 66 66 ALA C C 13 176.200 0.3 . 1 . . . . 66 ALA C . 17592 1 260 . 1 1 66 66 ALA CA C 13 52.500 0.3 . 1 . . . . 66 ALA CA . 17592 1 261 . 1 1 66 66 ALA CB C 13 18.600 0.3 . 1 . . . . 66 ALA CB . 17592 1 262 . 1 1 66 66 ALA N N 15 119.600 0.3 . 1 . . . . 66 ALA N . 17592 1 263 . 1 1 67 67 ARG H H 1 7.830 0.02 . 1 . . . . 67 ARG H . 17592 1 264 . 1 1 67 67 ARG C C 13 176.400 0.3 . 1 . . . . 67 ARG C . 17592 1 265 . 1 1 67 67 ARG CA C 13 56.700 0.3 . 1 . . . . 67 ARG CA . 17592 1 266 . 1 1 67 67 ARG CB C 13 26.100 0.3 . 1 . . . . 67 ARG CB . 17592 1 267 . 1 1 67 67 ARG N N 15 118.200 0.3 . 1 . . . . 67 ARG N . 17592 1 268 . 1 1 68 68 ARG C C 13 174.800 0.3 . 1 . . . . 68 ARG C . 17592 1 269 . 1 1 68 68 ARG CA C 13 53.300 0.3 . 1 . . . . 68 ARG CA . 17592 1 270 . 1 1 68 68 ARG CB C 13 33.200 0.3 . 1 . . . . 68 ARG CB . 17592 1 271 . 1 1 69 69 THR H H 1 7.300 0.02 . 1 . . . . 69 THR H . 17592 1 272 . 1 1 69 69 THR C C 13 172.400 0.3 . 1 . . . . 69 THR C . 17592 1 273 . 1 1 69 69 THR CA C 13 56.700 0.3 . 1 . . . . 69 THR CA . 17592 1 274 . 1 1 69 69 THR CB C 13 69.900 0.3 . 1 . . . . 69 THR CB . 17592 1 275 . 1 1 69 69 THR N N 15 112.300 0.3 . 1 . . . . 69 THR N . 17592 1 276 . 1 1 70 70 LYS H H 1 8.550 0.02 . 1 . . . . 70 LYS H . 17592 1 277 . 1 1 70 70 LYS C C 13 174.600 0.3 . 1 . . . . 70 LYS C . 17592 1 278 . 1 1 70 70 LYS CA C 13 55.100 0.3 . 1 . . . . 70 LYS CA . 17592 1 279 . 1 1 70 70 LYS CB C 13 35.800 0.3 . 1 . . . . 70 LYS CB . 17592 1 280 . 1 1 70 70 LYS N N 15 125.000 0.3 . 1 . . . . 70 LYS N . 17592 1 281 . 1 1 71 71 HIS H H 1 9.970 0.02 . 1 . . . . 71 HIS H . 17592 1 282 . 1 1 71 71 HIS C C 13 172.900 0.3 . 1 . . . . 71 HIS C . 17592 1 283 . 1 1 71 71 HIS CA C 13 52.400 0.3 . 1 . . . . 71 HIS CA . 17592 1 284 . 1 1 71 71 HIS CB C 13 26.900 0.3 . 1 . . . . 71 HIS CB . 17592 1 285 . 1 1 71 71 HIS N N 15 128.200 0.3 . 1 . . . . 71 HIS N . 17592 1 286 . 1 1 72 72 VAL H H 1 8.640 0.02 . 1 . . . . 72 VAL H . 17592 1 287 . 1 1 72 72 VAL C C 13 174.500 0.3 . 1 . . . . 72 VAL C . 17592 1 288 . 1 1 72 72 VAL CA C 13 61.600 0.3 . 1 . . . . 72 VAL CA . 17592 1 289 . 1 1 72 72 VAL CB C 13 31.900 0.3 . 1 . . . . 72 VAL CB . 17592 1 290 . 1 1 72 72 VAL N N 15 127.600 0.3 . 1 . . . . 72 VAL N . 17592 1 291 . 1 1 73 73 ARG H H 1 9.080 0.02 . 1 . . . . 73 ARG H . 17592 1 292 . 1 1 73 73 ARG C C 13 179.000 0.3 . 1 . . . . 73 ARG C . 17592 1 293 . 1 1 73 73 ARG CA C 13 54.800 0.3 . 1 . . . . 73 ARG CA . 17592 1 294 . 1 1 73 73 ARG CB C 13 28.800 0.3 . 1 . . . . 73 ARG CB . 17592 1 295 . 1 1 73 73 ARG N N 15 126.600 0.3 . 1 . . . . 73 ARG N . 17592 1 296 . 1 1 74 74 PHE C C 13 178.200 0.3 . 1 . . . . 74 PHE C . 17592 1 297 . 1 1 74 74 PHE CA C 13 62.100 0.3 . 1 . . . . 74 PHE CA . 17592 1 298 . 1 1 74 74 PHE CB C 13 37.500 0.3 . 1 . . . . 74 PHE CB . 17592 1 299 . 1 1 75 75 ASN H H 1 9.260 0.02 . 1 . . . . 75 ASN H . 17592 1 300 . 1 1 75 75 ASN C C 13 175.000 0.3 . 1 . . . . 75 ASN C . 17592 1 301 . 1 1 75 75 ASN CA C 13 55.800 0.3 . 1 . . . . 75 ASN CA . 17592 1 302 . 1 1 75 75 ASN CB C 13 36.300 0.3 . 1 . . . . 75 ASN CB . 17592 1 303 . 1 1 75 75 ASN N N 15 110.700 0.3 . 1 . . . . 75 ASN N . 17592 1 304 . 1 1 76 76 ASP H H 1 7.540 0.02 . 1 . . . . 76 ASP H . 17592 1 305 . 1 1 76 76 ASP C C 13 176.600 0.3 . 1 . . . . 76 ASP C . 17592 1 306 . 1 1 76 76 ASP CA C 13 54.400 0.3 . 1 . . . . 76 ASP CA . 17592 1 307 . 1 1 76 76 ASP CB C 13 40.800 0.3 . 1 . . . . 76 ASP CB . 17592 1 308 . 1 1 76 76 ASP N N 15 114.600 0.3 . 1 . . . . 76 ASP N . 17592 1 309 . 1 1 77 77 LEU H H 1 7.170 0.02 . 1 . . . . 77 LEU H . 17592 1 310 . 1 1 77 77 LEU C C 13 177.500 0.3 . 1 . . . . 77 LEU C . 17592 1 311 . 1 1 77 77 LEU CA C 13 55.200 0.3 . 1 . . . . 77 LEU CA . 17592 1 312 . 1 1 77 77 LEU CB C 13 40.100 0.3 . 1 . . . . 77 LEU CB . 17592 1 313 . 1 1 77 77 LEU N N 15 121.300 0.3 . 1 . . . . 77 LEU N . 17592 1 314 . 1 1 80 80 PRO C C 13 176.600 0.3 . 1 . . . . 80 PRO C . 17592 1 315 . 1 1 80 80 PRO CA C 13 64.000 0.3 . 1 . . . . 80 PRO CA . 17592 1 316 . 1 1 80 80 PRO CB C 13 33.700 0.3 . 1 . . . . 80 PRO CB . 17592 1 317 . 1 1 81 81 ALA H H 1 6.900 0.02 . 1 . . . . 81 ALA H . 17592 1 318 . 1 1 81 81 ALA C C 13 174.500 0.3 . 1 . . . . 81 ALA C . 17592 1 319 . 1 1 81 81 ALA CA C 13 50.700 0.3 . 1 . . . . 81 ALA CA . 17592 1 320 . 1 1 81 81 ALA CB C 13 19.600 0.3 . 1 . . . . 81 ALA CB . 17592 1 321 . 1 1 81 81 ALA N N 15 121.600 0.3 . 1 . . . . 81 ALA N . 17592 1 322 . 1 1 82 82 PRO C C 13 175.800 0.3 . 1 . . . . 82 PRO C . 17592 1 323 . 1 1 82 82 PRO CA C 13 62.400 0.3 . 1 . . . . 82 PRO CA . 17592 1 324 . 1 1 82 82 PRO CB C 13 30.900 0.3 . 1 . . . . 82 PRO CB . 17592 1 325 . 1 1 83 83 ILE H H 1 9.140 0.02 . 1 . . . . 83 ILE H . 17592 1 326 . 1 1 83 83 ILE C C 13 174.400 0.3 . 1 . . . . 83 ILE C . 17592 1 327 . 1 1 83 83 ILE CA C 13 58.200 0.3 . 1 . . . . 83 ILE CA . 17592 1 328 . 1 1 83 83 ILE CB C 13 38.600 0.3 . 1 . . . . 83 ILE CB . 17592 1 329 . 1 1 83 83 ILE N N 15 128.500 0.3 . 1 . . . . 83 ILE N . 17592 1 330 . 1 1 84 84 PRO C C 13 176.400 0.3 . 1 . . . . 84 PRO C . 17592 1 331 . 1 1 84 84 PRO CA C 13 62.000 0.3 . 1 . . . . 84 PRO CA . 17592 1 332 . 1 1 84 84 PRO CB C 13 31.100 0.3 . 1 . . . . 84 PRO CB . 17592 1 333 . 1 1 85 85 HIS H H 1 8.570 0.02 . 1 . . . . 85 HIS H . 17592 1 334 . 1 1 85 85 HIS C C 13 177.800 0.3 . 1 . . . . 85 HIS C . 17592 1 335 . 1 1 85 85 HIS CA C 13 53.800 0.3 . 1 . . . . 85 HIS CA . 17592 1 336 . 1 1 85 85 HIS CB C 13 30.800 0.3 . 1 . . . . 85 HIS CB . 17592 1 337 . 1 1 85 85 HIS N N 15 119.300 0.3 . 1 . . . . 85 HIS N . 17592 1 338 . 1 1 86 86 ASP H H 1 9.380 0.02 . 1 . . . . 86 ASP H . 17592 1 339 . 1 1 86 86 ASP C C 13 174.900 0.3 . 1 . . . . 86 ASP C . 17592 1 340 . 1 1 86 86 ASP CA C 13 55.400 0.3 . 1 . . . . 86 ASP CA . 17592 1 341 . 1 1 86 86 ASP CB C 13 41.200 0.3 . 1 . . . . 86 ASP CB . 17592 1 342 . 1 1 86 86 ASP N N 15 122.100 0.3 . 1 . . . . 86 ASP N . 17592 1 343 . 1 1 87 87 THR H H 1 8.450 0.02 . 1 . . . . 87 THR H . 17592 1 344 . 1 1 87 87 THR CA C 13 62.300 0.3 . 1 . . . . 87 THR CA . 17592 1 345 . 1 1 87 87 THR CB C 13 72.200 0.3 . 1 . . . . 87 THR CB . 17592 1 346 . 1 1 87 87 THR N N 15 114.100 0.3 . 1 . . . . 87 THR N . 17592 1 347 . 1 1 88 88 ASP H H 1 8.900 0.02 . 1 . . . . 88 ASP H . 17592 1 348 . 1 1 88 88 ASP C C 13 175.200 0.3 . 1 . . . . 88 ASP C . 17592 1 349 . 1 1 88 88 ASP CA C 13 55.100 0.3 . 1 . . . . 88 ASP CA . 17592 1 350 . 1 1 88 88 ASP CB C 13 39.700 0.3 . 1 . . . . 88 ASP CB . 17592 1 351 . 1 1 88 88 ASP N N 15 130.600 0.3 . 1 . . . . 88 ASP N . 17592 1 352 . 1 1 89 89 PHE H H 1 9.110 0.02 . 1 . . . . 89 PHE H . 17592 1 353 . 1 1 89 89 PHE C C 13 171.300 0.3 . 1 . . . . 89 PHE C . 17592 1 354 . 1 1 89 89 PHE CA C 13 56.800 0.3 . 1 . . . . 89 PHE CA . 17592 1 355 . 1 1 89 89 PHE CB C 13 40.000 0.3 . 1 . . . . 89 PHE CB . 17592 1 356 . 1 1 89 89 PHE N N 15 122.400 0.3 . 1 . . . . 89 PHE N . 17592 1 357 . 1 1 90 90 ALA H H 1 8.620 0.02 . 1 . . . . 90 ALA H . 17592 1 358 . 1 1 90 90 ALA C C 13 177.300 0.3 . 1 . . . . 90 ALA C . 17592 1 359 . 1 1 90 90 ALA CA C 13 50.800 0.3 . 1 . . . . 90 ALA CA . 17592 1 360 . 1 1 90 90 ALA CB C 13 22.700 0.3 . 1 . . . . 90 ALA CB . 17592 1 361 . 1 1 90 90 ALA N N 15 120.500 0.3 . 1 . . . . 90 ALA N . 17592 1 362 . 1 1 91 91 SER H H 1 9.350 0.02 . 1 . . . . 91 SER H . 17592 1 363 . 1 1 91 91 SER C C 13 173.400 0.3 . 1 . . . . 91 SER C . 17592 1 364 . 1 1 91 91 SER CA C 13 58.200 0.3 . 1 . . . . 91 SER CA . 17592 1 365 . 1 1 91 91 SER CB C 13 66.600 0.3 . 1 . . . . 91 SER CB . 17592 1 366 . 1 1 91 91 SER N N 15 111.700 0.3 . 1 . . . . 91 SER N . 17592 1 367 . 1 1 92 92 VAL H H 1 8.810 0.02 . 1 . . . . 92 VAL H . 17592 1 368 . 1 1 92 92 VAL C C 13 174.700 0.3 . 1 . . . . 92 VAL C . 17592 1 369 . 1 1 92 92 VAL CA C 13 61.100 0.3 . 1 . . . . 92 VAL CA . 17592 1 370 . 1 1 92 92 VAL CB C 13 34.500 0.3 . 1 . . . . 92 VAL CB . 17592 1 371 . 1 1 92 92 VAL N N 15 119.200 0.3 . 1 . . . . 92 VAL N . 17592 1 372 . 1 1 93 93 ILE H H 1 9.550 0.02 . 1 . . . . 93 ILE H . 17592 1 373 . 1 1 93 93 ILE C C 13 174.300 0.3 . 1 . . . . 93 ILE C . 17592 1 374 . 1 1 93 93 ILE CA C 13 61.100 0.3 . 1 . . . . 93 ILE CA . 17592 1 375 . 1 1 93 93 ILE CB C 13 39.900 0.3 . 1 . . . . 93 ILE CB . 17592 1 376 . 1 1 93 93 ILE N N 15 128.900 0.3 . 1 . . . . 93 ILE N . 17592 1 377 . 1 1 94 94 GLN H H 1 9.230 0.02 . 1 . . . . 94 GLN H . 17592 1 378 . 1 1 94 94 GLN C C 13 174.600 0.3 . 1 . . . . 94 GLN C . 17592 1 379 . 1 1 94 94 GLN CA C 13 54.200 0.3 . 1 . . . . 94 GLN CA . 17592 1 380 . 1 1 94 94 GLN CB C 13 32.700 0.3 . 1 . . . . 94 GLN CB . 17592 1 381 . 1 1 94 94 GLN N N 15 125.400 0.3 . 1 . . . . 94 GLN N . 17592 1 382 . 1 1 95 95 SER H H 1 8.990 0.02 . 1 . . . . 95 SER H . 17592 1 383 . 1 1 95 95 SER C C 13 173.800 0.3 . 1 . . . . 95 SER C . 17592 1 384 . 1 1 95 95 SER CA C 13 55.600 0.3 . 1 . . . . 95 SER CA . 17592 1 385 . 1 1 95 95 SER CB C 13 65.200 0.3 . 1 . . . . 95 SER CB . 17592 1 386 . 1 1 95 95 SER N N 15 116.300 0.3 . 1 . . . . 95 SER N . 17592 1 387 . 1 1 96 96 ASN H H 1 9.150 0.02 . 1 . . . . 96 ASN H . 17592 1 388 . 1 1 96 96 ASN C C 13 175.100 0.3 . 1 . . . . 96 ASN C . 17592 1 389 . 1 1 96 96 ASN CA C 13 55.300 0.3 . 1 . . . . 96 ASN CA . 17592 1 390 . 1 1 96 96 ASN CB C 13 35.800 0.3 . 1 . . . . 96 ASN CB . 17592 1 391 . 1 1 96 96 ASN N N 15 121.200 0.3 . 1 . . . . 96 ASN N . 17592 1 392 . 1 1 97 97 VAL H H 1 7.520 0.02 . 1 . . . . 97 VAL H . 17592 1 393 . 1 1 97 97 VAL C C 13 173.700 0.3 . 1 . . . . 97 VAL C . 17592 1 394 . 1 1 97 97 VAL CA C 13 57.700 0.3 . 1 . . . . 97 VAL CA . 17592 1 395 . 1 1 97 97 VAL CB C 13 31.300 0.3 . 1 . . . . 97 VAL CB . 17592 1 396 . 1 1 97 97 VAL N N 15 113.000 0.3 . 1 . . . . 97 VAL N . 17592 1 397 . 1 1 100 100 VAL C C 13 175.200 0.3 . 1 . . . . 100 VAL C . 17592 1 398 . 1 1 100 100 VAL CA C 13 64.000 0.3 . 1 . . . . 100 VAL CA . 17592 1 399 . 1 1 100 100 VAL CB C 13 30.200 0.3 . 1 . . . . 100 VAL CB . 17592 1 400 . 1 1 101 101 VAL H H 1 8.420 0.02 . 1 . . . . 101 VAL H . 17592 1 401 . 1 1 101 101 VAL C C 13 174.900 0.3 . 1 . . . . 101 VAL C . 17592 1 402 . 1 1 101 101 VAL CA C 13 59.700 0.3 . 1 . . . . 101 VAL CA . 17592 1 403 . 1 1 101 101 VAL CB C 13 33.100 0.3 . 1 . . . . 101 VAL CB . 17592 1 404 . 1 1 101 101 VAL N N 15 116.200 0.3 . 1 . . . . 101 VAL N . 17592 1 405 . 1 1 102 102 GLN H H 1 8.730 0.02 . 1 . . . . 102 GLN H . 17592 1 406 . 1 1 102 102 GLN C C 13 172.100 0.3 . 1 . . . . 102 GLN C . 17592 1 407 . 1 1 102 102 GLN CA C 13 54.700 0.3 . 1 . . . . 102 GLN CA . 17592 1 408 . 1 1 102 102 GLN CB C 13 33.300 0.3 . 1 . . . . 102 GLN CB . 17592 1 409 . 1 1 102 102 GLN N N 15 128.700 0.3 . 1 . . . . 102 GLN N . 17592 1 410 . 1 1 103 103 HIS H H 1 9.180 0.02 . 1 . . . . 103 HIS H . 17592 1 411 . 1 1 103 103 HIS C C 13 173.600 0.3 . 1 . . . . 103 HIS C . 17592 1 412 . 1 1 103 103 HIS CA C 13 53.800 0.3 . 1 . . . . 103 HIS CA . 17592 1 413 . 1 1 103 103 HIS CB C 13 34.600 0.3 . 1 . . . . 103 HIS CB . 17592 1 414 . 1 1 103 103 HIS N N 15 130.000 0.3 . 1 . . . . 103 HIS N . 17592 1 415 . 1 1 109 109 ARG H H 1 9.410 0.02 . 1 . . . . 109 ARG H . 17592 1 416 . 1 1 109 109 ARG CA C 13 55.200 0.3 . 1 . . . . 109 ARG CA . 17592 1 417 . 1 1 109 109 ARG CB C 13 29.800 0.3 . 1 . . . . 109 ARG CB . 17592 1 418 . 1 1 109 109 ARG N N 15 120.800 0.3 . 1 . . . . 109 ARG N . 17592 1 419 . 1 1 110 110 GLN H H 1 7.440 0.02 . 1 . . . . 110 GLN H . 17592 1 420 . 1 1 110 110 GLN C C 13 175.800 0.3 . 1 . . . . 110 GLN C . 17592 1 421 . 1 1 110 110 GLN CA C 13 54.700 0.3 . 1 . . . . 110 GLN CA . 17592 1 422 . 1 1 110 110 GLN CB C 13 34.900 0.3 . 1 . . . . 110 GLN CB . 17592 1 423 . 1 1 110 110 GLN N N 15 122.100 0.3 . 1 . . . . 110 GLN N . 17592 1 424 . 1 1 111 111 ALA H H 1 9.270 0.02 . 1 . . . . 111 ALA H . 17592 1 425 . 1 1 111 111 ALA C C 13 174.800 0.3 . 1 . . . . 111 ALA C . 17592 1 426 . 1 1 111 111 ALA CA C 13 54.000 0.3 . 1 . . . . 111 ALA CA . 17592 1 427 . 1 1 111 111 ALA CB C 13 17.300 0.3 . 1 . . . . 111 ALA CB . 17592 1 428 . 1 1 111 111 ALA N N 15 125.000 0.3 . 1 . . . . 111 ALA N . 17592 1 429 . 1 1 112 112 GLU H H 1 8.720 0.02 . 1 . . . . 112 GLU H . 17592 1 430 . 1 1 112 112 GLU C C 13 174.200 0.3 . 1 . . . . 112 GLU C . 17592 1 431 . 1 1 112 112 GLU CA C 13 54.200 0.3 . 1 . . . . 112 GLU CA . 17592 1 432 . 1 1 112 112 GLU N N 15 116.200 0.3 . 1 . . . . 112 GLU N . 17592 1 433 . 1 1 113 113 ASN H H 1 7.100 0.02 . 1 . . . . 113 ASN H . 17592 1 434 . 1 1 113 113 ASN C C 13 177.400 0.3 . 1 . . . . 113 ASN C . 17592 1 435 . 1 1 113 113 ASN CA C 13 55.000 0.3 . 1 . . . . 113 ASN CA . 17592 1 436 . 1 1 113 113 ASN CB C 13 37.800 0.3 . 1 . . . . 113 ASN CB . 17592 1 437 . 1 1 113 113 ASN N N 15 121.100 0.3 . 1 . . . . 113 ASN N . 17592 1 438 . 1 1 114 114 ALA H H 1 8.780 0.02 . 1 . . . . 114 ALA H . 17592 1 439 . 1 1 114 114 ALA C C 13 173.100 0.3 . 1 . . . . 114 ALA C . 17592 1 440 . 1 1 114 114 ALA CA C 13 51.300 0.3 . 1 . . . . 114 ALA CA . 17592 1 441 . 1 1 114 114 ALA CB C 13 21.800 0.3 . 1 . . . . 114 ALA CB . 17592 1 442 . 1 1 114 114 ALA N N 15 136.000 0.3 . 1 . . . . 114 ALA N . 17592 1 443 . 1 1 115 115 LEU H H 1 7.670 0.02 . 1 . . . . 115 LEU H . 17592 1 444 . 1 1 115 115 LEU C C 13 173.300 0.3 . 1 . . . . 115 LEU C . 17592 1 445 . 1 1 115 115 LEU CA C 13 52.400 0.3 . 1 . . . . 115 LEU CA . 17592 1 446 . 1 1 115 115 LEU CB C 13 48.300 0.3 . 1 . . . . 115 LEU CB . 17592 1 447 . 1 1 115 115 LEU N N 15 121.600 0.3 . 1 . . . . 115 LEU N . 17592 1 448 . 1 1 116 116 LEU H H 1 7.970 0.02 . 1 . . . . 116 LEU H . 17592 1 449 . 1 1 116 116 LEU C C 13 175.800 0.3 . 1 . . . . 116 LEU C . 17592 1 450 . 1 1 116 116 LEU CA C 13 54.000 0.3 . 1 . . . . 116 LEU CA . 17592 1 451 . 1 1 116 116 LEU CB C 13 42.400 0.3 . 1 . . . . 116 LEU CB . 17592 1 452 . 1 1 116 116 LEU N N 15 112.900 0.3 . 1 . . . . 116 LEU N . 17592 1 453 . 1 1 117 117 SER H H 1 8.520 0.02 . 1 . . . . 117 SER H . 17592 1 454 . 1 1 117 117 SER C C 13 173.100 0.3 . 1 . . . . 117 SER C . 17592 1 455 . 1 1 117 117 SER CA C 13 57.800 0.3 . 1 . . . . 117 SER CA . 17592 1 456 . 1 1 117 117 SER CB C 13 67.500 0.3 . 1 . . . . 117 SER CB . 17592 1 457 . 1 1 117 117 SER N N 15 114.400 0.3 . 1 . . . . 117 SER N . 17592 1 458 . 1 1 118 118 THR H H 1 9.390 0.02 . 1 . . . . 118 THR H . 17592 1 459 . 1 1 118 118 THR C C 13 174.000 0.3 . 1 . . . . 118 THR C . 17592 1 460 . 1 1 118 118 THR CA C 13 60.100 0.3 . 1 . . . . 118 THR CA . 17592 1 461 . 1 1 118 118 THR CB C 13 70.400 0.3 . 1 . . . . 118 THR CB . 17592 1 462 . 1 1 118 118 THR N N 15 118.000 0.3 . 1 . . . . 118 THR N . 17592 1 463 . 1 1 119 119 ILE H H 1 8.260 0.02 . 1 . . . . 119 ILE H . 17592 1 464 . 1 1 119 119 ILE C C 13 177.800 0.3 . 1 . . . . 119 ILE C . 17592 1 465 . 1 1 119 119 ILE CA C 13 61.700 0.3 . 1 . . . . 119 ILE CA . 17592 1 466 . 1 1 119 119 ILE CB C 13 35.100 0.3 . 1 . . . . 119 ILE CB . 17592 1 467 . 1 1 119 119 ILE N N 15 133.200 0.3 . 1 . . . . 119 ILE N . 17592 1 468 . 1 1 120 120 ALA H H 1 8.440 0.02 . 1 . . . . 120 ALA H . 17592 1 469 . 1 1 120 120 ALA C C 13 174.100 0.3 . 1 . . . . 120 ALA C . 17592 1 470 . 1 1 120 120 ALA CA C 13 52.200 0.3 . 1 . . . . 120 ALA CA . 17592 1 471 . 1 1 120 120 ALA CB C 13 18.800 0.3 . 1 . . . . 120 ALA CB . 17592 1 472 . 1 1 120 120 ALA N N 15 131.600 0.3 . 1 . . . . 120 ALA N . 17592 1 473 . 1 1 121 121 TYR H H 1 8.780 0.02 . 1 . . . . 121 TYR H . 17592 1 474 . 1 1 121 121 TYR C C 13 174.000 0.3 . 1 . . . . 121 TYR C . 17592 1 475 . 1 1 121 121 TYR CA C 13 58.500 0.3 . 1 . . . . 121 TYR CA . 17592 1 476 . 1 1 121 121 TYR CB C 13 38.700 0.3 . 1 . . . . 121 TYR CB . 17592 1 477 . 1 1 121 121 TYR N N 15 117.100 0.3 . 1 . . . . 121 TYR N . 17592 1 478 . 1 1 122 122 ALA H H 1 7.560 0.02 . 1 . . . . 122 ALA H . 17592 1 479 . 1 1 122 122 ALA C C 13 175.600 0.3 . 1 . . . . 122 ALA C . 17592 1 480 . 1 1 122 122 ALA CA C 13 49.700 0.3 . 1 . . . . 122 ALA CA . 17592 1 481 . 1 1 122 122 ALA CB C 13 16.800 0.3 . 1 . . . . 122 ALA CB . 17592 1 482 . 1 1 122 122 ALA N N 15 132.100 0.3 . 1 . . . . 122 ALA N . 17592 1 483 . 1 1 123 123 ASN H H 1 8.070 0.02 . 1 . . . . 123 ASN H . 17592 1 484 . 1 1 123 123 ASN C C 13 174.700 0.3 . 1 . . . . 123 ASN C . 17592 1 485 . 1 1 123 123 ASN CA C 13 53.200 0.3 . 1 . . . . 123 ASN CA . 17592 1 486 . 1 1 123 123 ASN CB C 13 39.700 0.3 . 1 . . . . 123 ASN CB . 17592 1 487 . 1 1 123 123 ASN N N 15 120.900 0.3 . 1 . . . . 123 ASN N . 17592 1 488 . 1 1 124 124 THR H H 1 7.350 0.02 . 1 . . . . 124 THR H . 17592 1 489 . 1 1 124 124 THR C C 13 179.000 0.3 . 1 . . . . 124 THR C . 17592 1 490 . 1 1 124 124 THR CA C 13 62.800 0.3 . 1 . . . . 124 THR CA . 17592 1 491 . 1 1 124 124 THR CB C 13 70.500 0.3 . 1 . . . . 124 THR CB . 17592 1 492 . 1 1 124 124 THR N N 15 121.400 0.3 . 1 . . . . 124 THR N . 17592 1 stop_ save_