################################### # 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 19724 _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 HNCA' . . . 19724 1 3 '3D HN(CO)CA' . . . 19724 1 5 '3D CBCA(CO)NH' . . . 19724 1 7 '3D CBCANH' . . . 19724 1 8 '3D 1H-15N NOESY' . . . 19724 1 9 '3D HNHA' . . . 19724 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 2 $CARA . . 19724 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 . 2 2 3 3 GLY H H 1 8.505 0.020 . 1 . . . . 3 GLY H . 19724 1 2 . 2 2 3 3 GLY HA2 H 1 4.128 0.020 . 1 . . . . 3 GLY HA2 . 19724 1 3 . 2 2 3 3 GLY HA3 H 1 4.128 0.020 . 1 . . . . 3 GLY HA3 . 19724 1 4 . 2 2 3 3 GLY CA C 13 44.978 0.3 . 1 . . . . 3 GLY CA . 19724 1 5 . 2 2 3 3 GLY N N 15 108.783 0.3 . 1 . . . . 3 GLY N . 19724 1 6 . 2 2 4 4 VAL H H 1 8.333 0.020 . 1 . . . . 4 VAL H . 19724 1 7 . 2 2 4 4 VAL HA H 1 3.810 0.020 . 1 . . . . 4 VAL HA . 19724 1 8 . 2 2 4 4 VAL HB H 1 2.097 0.020 . 1 . . . . 4 VAL HB . 19724 1 9 . 2 2 4 4 VAL CA C 13 65.214 0.3 . 1 . . . . 4 VAL CA . 19724 1 10 . 2 2 4 4 VAL N N 15 119.355 0.3 . 1 . . . . 4 VAL N . 19724 1 11 . 2 2 5 5 ASP H H 1 8.429 0.020 . 1 . . . . 5 ASP H . 19724 1 12 . 2 2 5 5 ASP HA H 1 4.387 0.020 . 1 . . . . 5 ASP HA . 19724 1 13 . 2 2 5 5 ASP HB2 H 1 2.589 0.020 . 2 . . . . 5 ASP HB2 . 19724 1 14 . 2 2 5 5 ASP HB3 H 1 2.681 0.020 . 2 . . . . 5 ASP HB3 . 19724 1 15 . 2 2 5 5 ASP CA C 13 56.985 0.3 . 1 . . . . 5 ASP CA . 19724 1 16 . 2 2 5 5 ASP N N 15 120.329 0.3 . 1 . . . . 5 ASP N . 19724 1 17 . 2 2 6 6 GLU H H 1 8.312 0.020 . 1 . . . . 6 GLU H . 19724 1 18 . 2 2 6 6 GLU HA H 1 4.107 0.020 . 1 . . . . 6 GLU HA . 19724 1 19 . 2 2 6 6 GLU CA C 13 59.450 0.3 . 1 . . . . 6 GLU CA . 19724 1 20 . 2 2 6 6 GLU N N 15 121.386 0.3 . 1 . . . . 6 GLU N . 19724 1 21 . 2 2 7 7 LEU H H 1 8.036 0.020 . 1 . . . . 7 LEU H . 19724 1 22 . 2 2 7 7 LEU HA H 1 4.262 0.020 . 1 . . . . 7 LEU HA . 19724 1 23 . 2 2 7 7 LEU CA C 13 57.559 0.3 . 1 . . . . 7 LEU CA . 19724 1 24 . 2 2 7 7 LEU N N 15 122.115 0.3 . 1 . . . . 7 LEU N . 19724 1 25 . 2 2 8 8 GLN H H 1 8.668 0.020 . 1 . . . . 8 GLN H . 19724 1 26 . 2 2 8 8 GLN HA H 1 3.809 0.020 . 1 . . . . 8 GLN HA . 19724 1 27 . 2 2 8 8 GLN CA C 13 58.390 0.3 . 1 . . . . 8 GLN CA . 19724 1 28 . 2 2 8 8 GLN N N 15 119.206 0.3 . 1 . . . . 8 GLN N . 19724 1 29 . 2 2 9 9 ALA H H 1 7.729 0.020 . 1 . . . . 9 ALA H . 19724 1 30 . 2 2 9 9 ALA HA H 1 4.240 0.020 . 1 . . . . 9 ALA HA . 19724 1 31 . 2 2 9 9 ALA HB1 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 32 . 2 2 9 9 ALA HB2 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 33 . 2 2 9 9 ALA HB3 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 34 . 2 2 9 9 ALA CA C 13 54.905 0.3 . 1 . . . . 9 ALA CA . 19724 1 35 . 2 2 9 9 ALA N N 15 119.938 0.3 . 1 . . . . 9 ALA N . 19724 1 36 . 2 2 10 10 GLU H H 1 7.733 0.020 . 1 . . . . 10 GLU H . 19724 1 37 . 2 2 10 10 GLU HA H 1 4.079 0.020 . 1 . . . . 10 GLU HA . 19724 1 38 . 2 2 10 10 GLU CA C 13 59.623 0.3 . 1 . . . . 10 GLU CA . 19724 1 39 . 2 2 10 10 GLU N N 15 121.029 0.3 . 1 . . . . 10 GLU N . 19724 1 40 . 2 2 11 11 VAL H H 1 8.417 0.020 . 1 . . . . 11 VAL H . 19724 1 41 . 2 2 11 11 VAL HA H 1 3.389 0.020 . 1 . . . . 11 VAL HA . 19724 1 42 . 2 2 11 11 VAL HB H 1 2.218 0.020 . 1 . . . . 11 VAL HB . 19724 1 43 . 2 2 11 11 VAL N N 15 120.244 0.3 . 1 . . . . 11 VAL N . 19724 1 44 . 2 2 12 12 ASP H H 1 8.525 0.020 . 1 . . . . 12 ASP H . 19724 1 45 . 2 2 12 12 ASP HA H 1 4.314 0.020 . 1 . . . . 12 ASP HA . 19724 1 46 . 2 2 12 12 ASP HB2 H 1 2.748 0.020 . 1 . . . . 12 ASP HB2 . 19724 1 47 . 2 2 12 12 ASP HB3 H 1 2.748 0.020 . 1 . . . . 12 ASP HB3 . 19724 1 48 . 2 2 12 12 ASP CA C 13 57.989 0.3 . 1 . . . . 12 ASP CA . 19724 1 49 . 2 2 12 12 ASP N N 15 120.061 0.3 . 1 . . . . 12 ASP N . 19724 1 50 . 2 2 13 13 GLN H H 1 7.892 0.020 . 1 . . . . 13 GLN H . 19724 1 51 . 2 2 13 13 GLN HA H 1 4.175 0.020 . 1 . . . . 13 GLN HA . 19724 1 52 . 2 2 13 13 GLN CA C 13 58.935 0.3 . 1 . . . . 13 GLN CA . 19724 1 53 . 2 2 13 13 GLN N N 15 120.024 0.3 . 1 . . . . 13 GLN N . 19724 1 54 . 2 2 14 14 LEU H H 1 8.630 0.020 . 1 . . . . 14 LEU H . 19724 1 55 . 2 2 14 14 LEU HA H 1 4.065 0.020 . 1 . . . . 14 LEU HA . 19724 1 56 . 2 2 14 14 LEU CA C 13 57.931 0.3 . 1 . . . . 14 LEU CA . 19724 1 57 . 2 2 14 14 LEU N N 15 120.970 0.3 . 1 . . . . 14 LEU N . 19724 1 58 . 2 2 15 15 GLN H H 1 9.197 0.020 . 1 . . . . 15 GLN H . 19724 1 59 . 2 2 15 15 GLN HA H 1 3.990 0.020 . 1 . . . . 15 GLN HA . 19724 1 60 . 2 2 15 15 GLN CA C 13 58.849 0.3 . 1 . . . . 15 GLN CA . 19724 1 61 . 2 2 15 15 GLN N N 15 121.639 0.3 . 1 . . . . 15 GLN N . 19724 1 62 . 2 2 16 16 ASP H H 1 7.955 0.020 . 1 . . . . 16 ASP H . 19724 1 63 . 2 2 16 16 ASP HA H 1 4.609 0.020 . 1 . . . . 16 ASP HA . 19724 1 64 . 2 2 16 16 ASP HB2 H 1 2.780 0.020 . 2 . . . . 16 ASP HB2 . 19724 1 65 . 2 2 16 16 ASP HB3 H 1 2.940 0.020 . 2 . . . . 16 ASP HB3 . 19724 1 66 . 2 2 16 16 ASP CA C 13 57.702 0.3 . 1 . . . . 16 ASP CA . 19724 1 67 . 2 2 16 16 ASP N N 15 122.211 0.3 . 1 . . . . 16 ASP N . 19724 1 68 . 2 2 17 17 GLU H H 1 8.316 0.020 . 1 . . . . 17 GLU H . 19724 1 69 . 2 2 17 17 GLU HA H 1 4.162 0.020 . 1 . . . . 17 GLU HA . 19724 1 70 . 2 2 17 17 GLU N N 15 122.026 0.3 . 1 . . . . 17 GLU N . 19724 1 71 . 2 2 18 18 ASN H H 1 8.553 0.020 . 1 . . . . 18 ASN H . 19724 1 72 . 2 2 18 18 ASN HA H 1 4.284 0.020 . 1 . . . . 18 ASN HA . 19724 1 73 . 2 2 18 18 ASN HB2 H 1 2.821 0.020 . 2 . . . . 18 ASN HB2 . 19724 1 74 . 2 2 18 18 ASN HB3 H 1 3.408 0.020 . 2 . . . . 18 ASN HB3 . 19724 1 75 . 2 2 18 18 ASN CA C 13 57.989 0.3 . 1 . . . . 18 ASN CA . 19724 1 76 . 2 2 18 18 ASN N N 15 120.286 0.3 . 1 . . . . 18 ASN N . 19724 1 77 . 2 2 19 19 TYR H H 1 8.193 0.020 . 1 . . . . 19 TYR H . 19724 1 78 . 2 2 19 19 TYR HA H 1 4.253 0.020 . 1 . . . . 19 TYR HA . 19724 1 79 . 2 2 19 19 TYR HB2 H 1 3.225 0.020 . 2 . . . . 19 TYR HB2 . 19724 1 80 . 2 2 19 19 TYR HB3 H 1 3.290 0.020 . 2 . . . . 19 TYR HB3 . 19724 1 81 . 2 2 19 19 TYR HD1 H 1 7.231 0.020 . 1 . . . . 19 TYR HD1 . 19724 1 82 . 2 2 19 19 TYR HD2 H 1 7.231 0.020 . 1 . . . . 19 TYR HD2 . 19724 1 83 . 2 2 19 19 TYR CA C 13 60.918 0.3 . 1 . . . . 19 TYR CA . 19724 1 84 . 2 2 19 19 TYR N N 15 118.302 0.3 . 1 . . . . 19 TYR N . 19724 1 85 . 2 2 20 20 ALA H H 1 8.125 0.020 . 1 . . . . 20 ALA H . 19724 1 86 . 2 2 20 20 ALA HA H 1 4.118 0.020 . 1 . . . . 20 ALA HA . 19724 1 87 . 2 2 20 20 ALA HB1 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 88 . 2 2 20 20 ALA HB2 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 89 . 2 2 20 20 ALA HB3 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 90 . 2 2 20 20 ALA N N 15 123.546 0.3 . 1 . . . . 20 ALA N . 19724 1 91 . 2 2 21 21 LEU H H 1 8.756 0.020 . 1 . . . . 21 LEU H . 19724 1 92 . 2 2 21 21 LEU HA H 1 4.002 0.020 . 1 . . . . 21 LEU HA . 19724 1 93 . 2 2 21 21 LEU CA C 13 58.074 0.3 . 1 . . . . 21 LEU CA . 19724 1 94 . 2 2 21 21 LEU N N 15 121.040 0.3 . 1 . . . . 21 LEU N . 19724 1 95 . 2 2 22 22 LYS H H 1 8.541 0.020 . 1 . . . . 22 LYS H . 19724 1 96 . 2 2 22 22 LYS CA C 13 60.801 0.3 . 1 . . . . 22 LYS CA . 19724 1 97 . 2 2 22 22 LYS N N 15 119.500 0.3 . 1 . . . . 22 LYS N . 19724 1 98 . 2 2 23 23 THR H H 1 8.021 0.020 . 1 . . . . 23 THR H . 19724 1 99 . 2 2 23 23 THR HA H 1 3.897 0.020 . 1 . . . . 23 THR HA . 19724 1 100 . 2 2 23 23 THR HG21 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 101 . 2 2 23 23 THR HG22 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 102 . 2 2 23 23 THR HG23 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 103 . 2 2 23 23 THR CA C 13 66.579 0.3 . 1 . . . . 23 THR CA . 19724 1 104 . 2 2 23 23 THR N N 15 117.249 0.3 . 1 . . . . 23 THR N . 19724 1 105 . 2 2 24 24 LYS H H 1 7.920 0.020 . 1 . . . . 24 LYS H . 19724 1 106 . 2 2 24 24 LYS HA H 1 4.100 0.020 . 1 . . . . 24 LYS HA . 19724 1 107 . 2 2 24 24 LYS CA C 13 59.566 0.3 . 1 . . . . 24 LYS CA . 19724 1 108 . 2 2 24 24 LYS N N 15 123.542 0.3 . 1 . . . . 24 LYS N . 19724 1 109 . 2 2 25 25 VAL H H 1 8.656 0.020 . 1 . . . . 25 VAL H . 19724 1 110 . 2 2 25 25 VAL HA H 1 3.427 0.020 . 1 . . . . 25 VAL HA . 19724 1 111 . 2 2 25 25 VAL HB H 1 2.074 0.020 . 1 . . . . 25 VAL HB . 19724 1 112 . 2 2 25 25 VAL CA C 13 67.427 0.3 . 1 . . . . 25 VAL CA . 19724 1 113 . 2 2 25 25 VAL N N 15 118.997 0.3 . 1 . . . . 25 VAL N . 19724 1 114 . 2 2 26 26 ALA H H 1 7.784 0.020 . 1 . . . . 26 ALA H . 19724 1 115 . 2 2 26 26 ALA HA H 1 4.037 0.020 . 1 . . . . 26 ALA HA . 19724 1 116 . 2 2 26 26 ALA HB1 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 117 . 2 2 26 26 ALA HB2 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 118 . 2 2 26 26 ALA HB3 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 119 . 2 2 26 26 ALA CA C 13 55.494 0.3 . 1 . . . . 26 ALA CA . 19724 1 120 . 2 2 26 26 ALA N N 15 120.869 0.3 . 1 . . . . 26 ALA N . 19724 1 121 . 2 2 27 27 GLN H H 1 8.162 0.020 . 1 . . . . 27 GLN H . 19724 1 122 . 2 2 27 27 GLN HA H 1 4.031 0.020 . 1 . . . . 27 GLN HA . 19724 1 123 . 2 2 27 27 GLN CA C 13 58.750 0.3 . 1 . . . . 27 GLN CA . 19724 1 124 . 2 2 27 27 GLN N N 15 117.698 0.3 . 1 . . . . 27 GLN N . 19724 1 125 . 2 2 28 28 LEU H H 1 8.562 0.020 . 1 . . . . 28 LEU H . 19724 1 126 . 2 2 28 28 LEU N N 15 121.757 0.3 . 1 . . . . 28 LEU N . 19724 1 127 . 2 2 29 29 ARG H H 1 9.002 0.020 . 1 . . . . 29 ARG H . 19724 1 128 . 2 2 29 29 ARG HA H 1 3.865 0.020 . 1 . . . . 29 ARG HA . 19724 1 129 . 2 2 29 29 ARG CA C 13 60.426 0.3 . 1 . . . . 29 ARG CA . 19724 1 130 . 2 2 29 29 ARG N N 15 119.783 0.3 . 1 . . . . 29 ARG N . 19724 1 131 . 2 2 30 30 LYS H H 1 7.532 0.020 . 1 . . . . 30 LYS H . 19724 1 132 . 2 2 30 30 LYS HA H 1 4.098 0.020 . 1 . . . . 30 LYS HA . 19724 1 133 . 2 2 30 30 LYS CA C 13 58.792 0.3 . 1 . . . . 30 LYS CA . 19724 1 134 . 2 2 30 30 LYS N N 15 118.757 0.3 . 1 . . . . 30 LYS N . 19724 1 135 . 2 2 31 31 LYS H H 1 7.721 0.020 . 1 . . . . 31 LYS H . 19724 1 136 . 2 2 31 31 LYS N N 15 120.869 0.3 . 1 . . . . 31 LYS N . 19724 1 137 . 2 2 32 32 VAL H H 1 8.383 0.020 . 1 . . . . 32 VAL H . 19724 1 138 . 2 2 32 32 VAL HA H 1 3.381 0.020 . 1 . . . . 32 VAL HA . 19724 1 139 . 2 2 32 32 VAL CA C 13 67.537 0.3 . 1 . . . . 32 VAL CA . 19724 1 140 . 2 2 32 32 VAL N N 15 118.783 0.3 . 1 . . . . 32 VAL N . 19724 1 141 . 2 2 33 33 GLU H H 1 8.089 0.020 . 1 . . . . 33 GLU H . 19724 1 142 . 2 2 33 33 GLU N N 15 121.180 0.3 . 1 . . . . 33 GLU N . 19724 1 143 . 2 2 34 34 LYS H H 1 7.993 0.020 . 1 . . . . 34 LYS H . 19724 1 144 . 2 2 34 34 LYS CA C 13 58.799 0.3 . 1 . . . . 34 LYS CA . 19724 1 145 . 2 2 34 34 LYS N N 15 119.596 0.3 . 1 . . . . 34 LYS N . 19724 1 146 . 2 2 35 35 LEU H H 1 8.205 0.020 . 1 . . . . 35 LEU H . 19724 1 147 . 2 2 35 35 LEU HA H 1 4.229 0.020 . 1 . . . . 35 LEU HA . 19724 1 148 . 2 2 35 35 LEU CA C 13 56.469 0.3 . 1 . . . . 35 LEU CA . 19724 1 149 . 2 2 35 35 LEU N N 15 118.500 0.3 . 1 . . . . 35 LEU N . 19724 1 150 . 2 2 36 36 SER H H 1 8.039 0.020 . 1 . . . . 36 SER H . 19724 1 151 . 2 2 36 36 SER HA H 1 4.440 0.020 . 1 . . . . 36 SER HA . 19724 1 152 . 2 2 36 36 SER CA C 13 59.702 0.3 . 1 . . . . 36 SER CA . 19724 1 153 . 2 2 36 36 SER N N 15 113.611 0.3 . 1 . . . . 36 SER N . 19724 1 154 . 2 2 37 37 GLY H H 1 7.887 0.020 . 1 . . . . 37 GLY H . 19724 1 155 . 2 2 37 37 GLY HA2 H 1 4.051 0.020 . 1 . . . . 37 GLY HA2 . 19724 1 156 . 2 2 37 37 GLY HA3 H 1 4.051 0.020 . 1 . . . . 37 GLY HA3 . 19724 1 157 . 2 2 37 37 GLY CA C 13 45.673 0.3 . 1 . . . . 37 GLY CA . 19724 1 158 . 2 2 37 37 GLY N N 15 109.347 0.3 . 1 . . . . 37 GLY N . 19724 1 159 . 2 2 38 38 GLY H H 1 8.225 0.020 . 1 . . . . 38 GLY H . 19724 1 160 . 2 2 38 38 GLY HA2 H 1 3.978 0.020 . 1 . . . . 38 GLY HA2 . 19724 1 161 . 2 2 38 38 GLY CA C 13 45.348 0.3 . 1 . . . . 38 GLY CA . 19724 1 162 . 2 2 38 38 GLY N N 15 108.481 0.3 . 1 . . . . 38 GLY N . 19724 1 163 . 2 2 39 39 ASP H H 1 8.370 0.020 . 1 . . . . 39 ASP H . 19724 1 164 . 2 2 39 39 ASP HA H 1 4.601 0.020 . 1 . . . . 39 ASP HA . 19724 1 165 . 2 2 39 39 ASP HB2 H 1 2.615 0.020 . 2 . . . . 39 ASP HB2 . 19724 1 166 . 2 2 39 39 ASP HB3 H 1 2.666 0.020 . 2 . . . . 39 ASP HB3 . 19724 1 167 . 2 2 39 39 ASP CA C 13 54.269 0.3 . 1 . . . . 39 ASP CA . 19724 1 168 . 2 2 39 39 ASP CB C 13 41.196 0.3 . 1 . . . . 39 ASP CB . 19724 1 169 . 2 2 39 39 ASP N N 15 120.377 0.3 . 1 . . . . 39 ASP N . 19724 1 170 . 2 2 40 40 LYS H H 1 8.273 0.020 . 1 . . . . 40 LYS H . 19724 1 171 . 2 2 40 40 LYS HA H 1 4.307 0.020 . 1 . . . . 40 LYS HA . 19724 1 172 . 2 2 40 40 LYS HB2 H 1 1.767 0.020 . 1 . . . . 40 LYS HB2 . 19724 1 173 . 2 2 40 40 LYS CA C 13 56.255 0.3 . 1 . . . . 40 LYS CA . 19724 1 174 . 2 2 40 40 LYS CB C 13 32.895 0.3 . 1 . . . . 40 LYS CB . 19724 1 175 . 2 2 40 40 LYS N N 15 121.409 0.3 . 1 . . . . 40 LYS N . 19724 1 176 . 2 2 41 41 ASP H H 1 8.372 0.020 . 1 . . . . 41 ASP H . 19724 1 177 . 2 2 41 41 ASP HA H 1 4.615 0.020 . 1 . . . . 41 ASP HA . 19724 1 178 . 2 2 41 41 ASP CA C 13 54.299 0.3 . 1 . . . . 41 ASP CA . 19724 1 179 . 2 2 41 41 ASP CB C 13 41.158 0.3 . 1 . . . . 41 ASP CB . 19724 1 180 . 2 2 41 41 ASP N N 15 121.436 0.3 . 1 . . . . 41 ASP N . 19724 1 181 . 2 2 42 42 ASP H H 1 8.375 0.020 . 1 . . . . 42 ASP H . 19724 1 182 . 2 2 42 42 ASP HA H 1 4.615 0.020 . 1 . . . . 42 ASP HA . 19724 1 183 . 2 2 42 42 ASP HB2 H 1 2.669 0.020 . 1 . . . . 42 ASP HB2 . 19724 1 184 . 2 2 42 42 ASP CA C 13 54.423 0.3 . 1 . . . . 42 ASP CA . 19724 1 185 . 2 2 42 42 ASP CB C 13 40.998 0.3 . 1 . . . . 42 ASP CB . 19724 1 186 . 2 2 42 42 ASP N N 15 122.200 0.3 . 1 . . . . 42 ASP N . 19724 1 187 . 2 2 43 43 SER H H 1 8.359 0.020 . 1 . . . . 43 SER H . 19724 1 188 . 2 2 43 43 SER HA H 1 4.336 0.020 . 1 . . . . 43 SER HA . 19724 1 189 . 2 2 43 43 SER HB2 H 1 3.902 0.020 . 1 . . . . 43 SER HB2 . 19724 1 190 . 2 2 43 43 SER HB3 H 1 3.902 0.020 . 1 . . . . 43 SER HB3 . 19724 1 191 . 2 2 43 43 SER CA C 13 59.329 0.3 . 1 . . . . 43 SER CA . 19724 1 192 . 2 2 43 43 SER CB C 13 63.585 0.3 . 1 . . . . 43 SER CB . 19724 1 193 . 2 2 43 43 SER N N 15 116.446 0.3 . 1 . . . . 43 SER N . 19724 1 194 . 2 2 44 44 LYS H H 1 8.210 0.020 . 1 . . . . 44 LYS H . 19724 1 195 . 2 2 44 44 LYS HA H 1 4.324 0.020 . 1 . . . . 44 LYS HA . 19724 1 196 . 2 2 44 44 LYS HB2 H 1 1.747 0.020 . 2 . . . . 44 LYS HB2 . 19724 1 197 . 2 2 44 44 LYS HB3 H 1 1.879 0.020 . 2 . . . . 44 LYS HB3 . 19724 1 198 . 2 2 44 44 LYS CA C 13 56.129 0.3 . 1 . . . . 44 LYS CA . 19724 1 199 . 2 2 44 44 LYS CB C 13 32.575 0.3 . 1 . . . . 44 LYS CB . 19724 1 200 . 2 2 44 44 LYS N N 15 122.542 0.3 . 1 . . . . 44 LYS N . 19724 1 201 . 2 2 45 45 ALA H H 1 8.122 0.020 . 1 . . . . 45 ALA H . 19724 1 202 . 2 2 45 45 ALA HA H 1 4.266 0.020 . 1 . . . . 45 ALA HA . 19724 1 203 . 2 2 45 45 ALA HB1 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 204 . 2 2 45 45 ALA HB2 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 205 . 2 2 45 45 ALA HB3 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 206 . 2 2 45 45 ALA CA C 13 52.928 0.3 . 1 . . . . 45 ALA CA . 19724 1 207 . 2 2 45 45 ALA CB C 13 19.000 0.3 . 1 . . . . 45 ALA CB . 19724 1 208 . 2 2 45 45 ALA N N 15 124.553 0.3 . 1 . . . . 45 ALA N . 19724 1 209 . 2 2 46 46 GLY H H 1 8.460 0.020 . 1 . . . . 46 GLY H . 19724 1 210 . 2 2 46 46 GLY HA2 H 1 3.939 0.020 . 1 . . . . 46 GLY HA2 . 19724 1 211 . 2 2 46 46 GLY HA3 H 1 3.939 0.020 . 1 . . . . 46 GLY HA3 . 19724 1 212 . 2 2 46 46 GLY CA C 13 45.409 0.3 . 1 . . . . 46 GLY CA . 19724 1 213 . 2 2 46 46 GLY N N 15 108.411 0.3 . 1 . . . . 46 GLY N . 19724 1 214 . 2 2 47 47 MET H H 1 8.136 0.020 . 1 . . . . 47 MET H . 19724 1 215 . 2 2 47 47 MET HA H 1 4.478 0.020 . 1 . . . . 47 MET HA . 19724 1 216 . 2 2 47 47 MET CA C 13 55.461 0.3 . 1 . . . . 47 MET CA . 19724 1 217 . 2 2 47 47 MET CB C 13 32.900 0.3 . 1 . . . . 47 MET CB . 19724 1 218 . 2 2 47 47 MET N N 15 119.537 0.3 . 1 . . . . 47 MET N . 19724 1 219 . 2 2 48 48 GLU H H 1 8.549 0.020 . 1 . . . . 48 GLU H . 19724 1 220 . 2 2 48 48 GLU HA H 1 4.257 0.020 . 1 . . . . 48 GLU HA . 19724 1 221 . 2 2 48 48 GLU CA C 13 56.756 0.3 . 1 . . . . 48 GLU CA . 19724 1 222 . 2 2 48 48 GLU CB C 13 30.156 0.3 . 1 . . . . 48 GLU CB . 19724 1 223 . 2 2 48 48 GLU N N 15 121.895 0.3 . 1 . . . . 48 GLU N . 19724 1 224 . 2 2 49 49 GLU H H 1 8.417 0.020 . 1 . . . . 49 GLU H . 19724 1 225 . 2 2 49 49 GLU HA H 1 4.214 0.020 . 1 . . . . 49 GLU HA . 19724 1 226 . 2 2 49 49 GLU CA C 13 56.413 0.3 . 1 . . . . 49 GLU CA . 19724 1 227 . 2 2 49 49 GLU CB C 13 30.385 0.3 . 1 . . . . 49 GLU CB . 19724 1 228 . 2 2 49 49 GLU N N 15 121.708 0.3 . 1 . . . . 49 GLU N . 19724 1 229 . 2 2 50 50 ASP H H 1 8.341 0.020 . 1 . . . . 50 ASP H . 19724 1 230 . 2 2 50 50 ASP HA H 1 4.540 0.020 . 1 . . . . 50 ASP HA . 19724 1 231 . 2 2 50 50 ASP HB2 H 1 2.603 0.020 . 1 . . . . 50 ASP HB2 . 19724 1 232 . 2 2 50 50 ASP HB3 H 1 2.603 0.020 . 1 . . . . 50 ASP HB3 . 19724 1 233 . 2 2 50 50 ASP CA C 13 54.184 0.3 . 1 . . . . 50 ASP CA . 19724 1 234 . 2 2 50 50 ASP CB C 13 41.229 0.3 . 1 . . . . 50 ASP CB . 19724 1 235 . 2 2 50 50 ASP N N 15 121.286 0.3 . 1 . . . . 50 ASP N . 19724 1 236 . 2 2 51 51 HIS H H 1 8.447 0.020 . 1 . . . . 51 HIS H . 19724 1 237 . 2 2 51 51 HIS HA H 1 4.701 0.020 . 1 . . . . 51 HIS HA . 19724 1 238 . 2 2 51 51 HIS CA C 13 55.525 0.3 . 1 . . . . 51 HIS CA . 19724 1 239 . 2 2 51 51 HIS CB C 13 29.371 0.3 . 1 . . . . 51 HIS CB . 19724 1 240 . 2 2 51 51 HIS N N 15 120.447 0.3 . 1 . . . . 51 HIS N . 19724 1 241 . 2 2 52 52 THR H H 1 8.224 0.020 . 1 . . . . 52 THR H . 19724 1 242 . 2 2 52 52 THR HA H 1 4.170 0.020 . 1 . . . . 52 THR HA . 19724 1 243 . 2 2 52 52 THR HB H 1 4.051 0.020 . 1 . . . . 52 THR HB . 19724 1 244 . 2 2 52 52 THR HG21 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 245 . 2 2 52 52 THR HG22 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 246 . 2 2 52 52 THR HG23 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 247 . 2 2 52 52 THR CA C 13 62.826 0.3 . 1 . . . . 52 THR CA . 19724 1 248 . 2 2 52 52 THR CB C 13 69.504 0.3 . 1 . . . . 52 THR CB . 19724 1 249 . 2 2 52 52 THR N N 15 115.832 0.3 . 1 . . . . 52 THR N . 19724 1 250 . 2 2 53 53 TYR H H 1 8.279 0.020 . 1 . . . . 53 TYR H . 19724 1 251 . 2 2 53 53 TYR HA H 1 4.559 0.020 . 1 . . . . 53 TYR HA . 19724 1 252 . 2 2 53 53 TYR HB2 H 1 2.921 0.020 . 2 . . . . 53 TYR HB2 . 19724 1 253 . 2 2 53 53 TYR HB3 H 1 3.054 0.020 . 2 . . . . 53 TYR HB3 . 19724 1 254 . 2 2 53 53 TYR HD1 H 1 7.094 0.020 . 1 . . . . 53 TYR HD1 . 19724 1 255 . 2 2 53 53 TYR HD2 H 1 7.094 0.020 . 1 . . . . 53 TYR HD2 . 19724 1 256 . 2 2 53 53 TYR CA C 13 57.907 0.3 . 1 . . . . 53 TYR CA . 19724 1 257 . 2 2 53 53 TYR CB C 13 38.475 0.3 . 1 . . . . 53 TYR CB . 19724 1 258 . 2 2 53 53 TYR N N 15 122.088 0.3 . 1 . . . . 53 TYR N . 19724 1 259 . 2 2 54 54 GLU H H 1 8.260 0.020 . 1 . . . . 54 GLU H . 19724 1 260 . 2 2 54 54 GLU HA H 1 4.235 0.020 . 1 . . . . 54 GLU HA . 19724 1 261 . 2 2 54 54 GLU HB2 H 1 2.021 0.020 . 2 . . . . 54 GLU HB2 . 19724 1 262 . 2 2 54 54 GLU HB3 H 1 1.891 0.020 . 2 . . . . 54 GLU HB3 . 19724 1 263 . 2 2 54 54 GLU HG2 H 1 2.185 0.020 . 1 . . . . 54 GLU HG2 . 19724 1 264 . 2 2 54 54 GLU HG3 H 1 2.185 0.020 . 1 . . . . 54 GLU HG3 . 19724 1 265 . 2 2 54 54 GLU CA C 13 56.633 0.3 . 1 . . . . 54 GLU CA . 19724 1 266 . 2 2 54 54 GLU CB C 13 30.324 0.3 . 1 . . . . 54 GLU CB . 19724 1 267 . 2 2 54 54 GLU N N 15 123.093 0.3 . 1 . . . . 54 GLU N . 19724 1 268 . 2 2 55 55 GLY H H 1 8.001 0.020 . 1 . . . . 55 GLY H . 19724 1 269 . 2 2 55 55 GLY HA2 H 1 3.887 0.020 . 1 . . . . 55 GLY HA2 . 19724 1 270 . 2 2 55 55 GLY HA3 H 1 3.887 0.020 . 1 . . . . 55 GLY HA3 . 19724 1 271 . 2 2 55 55 GLY CA C 13 45.359 0.3 . 1 . . . . 55 GLY CA . 19724 1 272 . 2 2 55 55 GLY N N 15 109.330 0.3 . 1 . . . . 55 GLY N . 19724 1 273 . 2 2 56 56 LEU H H 1 8.015 0.020 . 1 . . . . 56 LEU H . 19724 1 274 . 2 2 56 56 LEU HA H 1 4.362 0.020 . 1 . . . . 56 LEU HA . 19724 1 275 . 2 2 56 56 LEU HB2 H 1 1.566 0.020 . 1 . . . . 56 LEU HB2 . 19724 1 276 . 2 2 56 56 LEU HB3 H 1 1.566 0.020 . 1 . . . . 56 LEU HB3 . 19724 1 277 . 2 2 56 56 LEU CA C 13 54.974 0.3 . 1 . . . . 56 LEU CA . 19724 1 278 . 2 2 56 56 LEU CB C 13 42.705 0.3 . 1 . . . . 56 LEU CB . 19724 1 279 . 2 2 56 56 LEU N N 15 120.992 0.3 . 1 . . . . 56 LEU N . 19724 1 280 . 2 2 57 57 ASP H H 1 8.457 0.020 . 1 . . . . 57 ASP H . 19724 1 281 . 2 2 57 57 ASP HA H 1 4.611 0.020 . 1 . . . . 57 ASP HA . 19724 1 282 . 2 2 57 57 ASP HB2 H 1 2.572 0.020 . 2 . . . . 57 ASP HB2 . 19724 1 283 . 2 2 57 57 ASP HB3 H 1 2.697 0.020 . 2 . . . . 57 ASP HB3 . 19724 1 284 . 2 2 57 57 ASP CA C 13 54.128 0.3 . 1 . . . . 57 ASP CA . 19724 1 285 . 2 2 57 57 ASP CB C 13 40.827 0.3 . 1 . . . . 57 ASP CB . 19724 1 286 . 2 2 57 57 ASP N N 15 121.420 0.3 . 1 . . . . 57 ASP N . 19724 1 287 . 2 2 58 58 ILE H H 1 7.980 0.020 . 1 . . . . 58 ILE H . 19724 1 288 . 2 2 58 58 ILE HA H 1 4.113 0.020 . 1 . . . . 58 ILE HA . 19724 1 289 . 2 2 58 58 ILE HB H 1 1.833 0.020 . 1 . . . . 58 ILE HB . 19724 1 290 . 2 2 58 58 ILE CA C 13 61.282 0.3 . 1 . . . . 58 ILE CA . 19724 1 291 . 2 2 58 58 ILE CB C 13 38.958 0.3 . 1 . . . . 58 ILE CB . 19724 1 292 . 2 2 58 58 ILE N N 15 120.291 0.3 . 1 . . . . 58 ILE N . 19724 1 293 . 2 2 59 59 ASP H H 1 8.380 0.020 . 1 . . . . 59 ASP H . 19724 1 294 . 2 2 59 59 ASP HA H 1 4.595 0.020 . 1 . . . . 59 ASP HA . 19724 1 295 . 2 2 59 59 ASP HB2 H 1 2.610 0.020 . 2 . . . . 59 ASP HB2 . 19724 1 296 . 2 2 59 59 ASP HB3 H 1 2.719 0.020 . 2 . . . . 59 ASP HB3 . 19724 1 297 . 2 2 59 59 ASP CA C 13 54.424 0.3 . 1 . . . . 59 ASP CA . 19724 1 298 . 2 2 59 59 ASP CB C 13 40.994 0.3 . 1 . . . . 59 ASP CB . 19724 1 299 . 2 2 59 59 ASP N N 15 123.558 0.3 . 1 . . . . 59 ASP N . 19724 1 300 . 2 2 60 60 GLN H H 1 8.411 0.020 . 1 . . . . 60 GLN H . 19724 1 301 . 2 2 60 60 GLN HA H 1 4.344 0.020 . 1 . . . . 60 GLN HA . 19724 1 302 . 2 2 60 60 GLN HB2 H 1 1.968 0.020 . 2 . . . . 60 GLN HB2 . 19724 1 303 . 2 2 60 60 GLN HB3 H 1 2.192 0.020 . 2 . . . . 60 GLN HB3 . 19724 1 304 . 2 2 60 60 GLN CA C 13 56.154 0.3 . 1 . . . . 60 GLN CA . 19724 1 305 . 2 2 60 60 GLN CB C 13 29.157 0.3 . 1 . . . . 60 GLN CB . 19724 1 306 . 2 2 60 60 GLN N N 15 121.612 0.3 . 1 . . . . 60 GLN N . 19724 1 307 . 2 2 61 61 THR H H 1 8.263 0.020 . 1 . . . . 61 THR H . 19724 1 308 . 2 2 61 61 THR HA H 1 4.210 0.020 . 1 . . . . 61 THR HA . 19724 1 309 . 2 2 61 61 THR HG21 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 310 . 2 2 61 61 THR HG22 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 311 . 2 2 61 61 THR HG23 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 312 . 2 2 61 61 THR CA C 13 62.560 0.3 . 1 . . . . 61 THR CA . 19724 1 313 . 2 2 61 61 THR CB C 13 69.670 0.3 . 1 . . . . 61 THR CB . 19724 1 314 . 2 2 61 61 THR N N 15 114.666 0.3 . 1 . . . . 61 THR N . 19724 1 315 . 2 2 62 62 ALA H H 1 8.168 0.020 . 1 . . . . 62 ALA H . 19724 1 316 . 2 2 62 62 ALA HA H 1 4.342 0.020 . 1 . . . . 62 ALA HA . 19724 1 317 . 2 2 62 62 ALA HB1 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 318 . 2 2 62 62 ALA HB2 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 319 . 2 2 62 62 ALA HB3 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 320 . 2 2 62 62 ALA CA C 13 52.546 0.3 . 1 . . . . 62 ALA CA . 19724 1 321 . 2 2 62 62 ALA CB C 13 19.259 0.3 . 1 . . . . 62 ALA CB . 19724 1 322 . 2 2 62 62 ALA N N 15 126.339 0.3 . 1 . . . . 62 ALA N . 19724 1 323 . 2 2 63 63 THR H H 1 8.064 0.020 . 1 . . . . 63 THR H . 19724 1 324 . 2 2 63 63 THR HA H 1 4.286 0.020 . 1 . . . . 63 THR HA . 19724 1 325 . 2 2 63 63 THR HG21 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 326 . 2 2 63 63 THR HG22 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 327 . 2 2 63 63 THR HG23 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 328 . 2 2 63 63 THR CA C 13 61.631 0.3 . 1 . . . . 63 THR CA . 19724 1 329 . 2 2 63 63 THR CB C 13 69.974 0.3 . 1 . . . . 63 THR CB . 19724 1 330 . 2 2 63 63 THR N N 15 113.164 0.3 . 1 . . . . 63 THR N . 19724 1 331 . 2 2 64 64 TYR H H 1 8.203 0.020 . 1 . . . . 64 TYR H . 19724 1 332 . 2 2 64 64 TYR HA H 1 4.525 0.020 . 1 . . . . 64 TYR HA . 19724 1 333 . 2 2 64 64 TYR HB2 H 1 2.923 0.020 . 2 . . . . 64 TYR HB2 . 19724 1 334 . 2 2 64 64 TYR HB3 H 1 3.022 0.020 . 2 . . . . 64 TYR HB3 . 19724 1 335 . 2 2 64 64 TYR CA C 13 58.155 0.3 . 1 . . . . 64 TYR CA . 19724 1 336 . 2 2 64 64 TYR CB C 13 38.713 0.3 . 1 . . . . 64 TYR CB . 19724 1 337 . 2 2 64 64 TYR N N 15 122.243 0.3 . 1 . . . . 64 TYR N . 19724 1 338 . 2 2 65 65 GLU H H 1 8.260 0.020 . 1 . . . . 65 GLU H . 19724 1 339 . 2 2 65 65 GLU HA H 1 4.187 0.020 . 1 . . . . 65 GLU HA . 19724 1 340 . 2 2 65 65 GLU CA C 13 56.745 0.3 . 1 . . . . 65 GLU CA . 19724 1 341 . 2 2 65 65 GLU CB C 13 30.436 0.3 . 1 . . . . 65 GLU CB . 19724 1 342 . 2 2 65 65 GLU N N 15 121.826 0.3 . 1 . . . . 65 GLU N . 19724 1 343 . 2 2 66 66 ASP H H 1 8.275 0.020 . 1 . . . . 66 ASP H . 19724 1 344 . 2 2 66 66 ASP HA H 1 4.547 0.020 . 1 . . . . 66 ASP HA . 19724 1 345 . 2 2 66 66 ASP CA C 13 54.432 0.3 . 1 . . . . 66 ASP CA . 19724 1 346 . 2 2 66 66 ASP CB C 13 41.130 0.3 . 1 . . . . 66 ASP CB . 19724 1 347 . 2 2 66 66 ASP N N 15 121.339 0.3 . 1 . . . . 66 ASP N . 19724 1 348 . 2 2 67 67 ILE H H 1 8.022 0.020 . 1 . . . . 67 ILE H . 19724 1 349 . 2 2 67 67 ILE HA H 1 4.100 0.020 . 1 . . . . 67 ILE HA . 19724 1 350 . 2 2 67 67 ILE HB H 1 1.867 0.020 . 1 . . . . 67 ILE HB . 19724 1 351 . 2 2 67 67 ILE CA C 13 61.646 0.3 . 1 . . . . 67 ILE CA . 19724 1 352 . 2 2 67 67 ILE CB C 13 38.476 0.3 . 1 . . . . 67 ILE CB . 19724 1 353 . 2 2 67 67 ILE N N 15 120.826 0.3 . 1 . . . . 67 ILE N . 19724 1 354 . 2 2 68 68 VAL H H 1 8.183 0.020 . 1 . . . . 68 VAL H . 19724 1 355 . 2 2 68 68 VAL HA H 1 4.032 0.020 . 1 . . . . 68 VAL HA . 19724 1 356 . 2 2 68 68 VAL HB H 1 2.044 0.020 . 1 . . . . 68 VAL HB . 19724 1 357 . 2 2 68 68 VAL HG11 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 358 . 2 2 68 68 VAL HG12 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 359 . 2 2 68 68 VAL HG13 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 360 . 2 2 68 68 VAL HG21 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 361 . 2 2 68 68 VAL HG22 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 362 . 2 2 68 68 VAL HG23 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 363 . 2 2 68 68 VAL CA C 13 63.247 0.3 . 1 . . . . 68 VAL CA . 19724 1 364 . 2 2 68 68 VAL CB C 13 32.363 0.3 . 1 . . . . 68 VAL CB . 19724 1 365 . 2 2 68 68 VAL N N 15 123.596 0.3 . 1 . . . . 68 VAL N . 19724 1 366 . 2 2 69 69 THR H H 1 8.133 0.020 . 1 . . . . 69 THR H . 19724 1 367 . 2 2 69 69 THR HA H 1 4.249 0.020 . 1 . . . . 69 THR HA . 19724 1 368 . 2 2 69 69 THR HB H 1 4.137 0.020 . 1 . . . . 69 THR HB . 19724 1 369 . 2 2 69 69 THR HG21 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 370 . 2 2 69 69 THR HG22 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 371 . 2 2 69 69 THR HG23 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 372 . 2 2 69 69 THR CA C 13 62.440 0.3 . 1 . . . . 69 THR CA . 19724 1 373 . 2 2 69 69 THR CB C 13 69.412 0.3 . 1 . . . . 69 THR CB . 19724 1 374 . 2 2 69 69 THR N N 15 117.928 0.3 . 1 . . . . 69 THR N . 19724 1 375 . 2 2 70 70 LEU H H 1 8.149 0.020 . 1 . . . . 70 LEU H . 19724 1 376 . 2 2 70 70 LEU HA H 1 4.324 0.020 . 1 . . . . 70 LEU HA . 19724 1 377 . 2 2 70 70 LEU HB2 H 1 1.620 0.020 . 2 . . . . 70 LEU HB2 . 19724 1 378 . 2 2 70 70 LEU HB3 H 1 1.567 0.020 . 2 . . . . 70 LEU HB3 . 19724 1 379 . 2 2 70 70 LEU CA C 13 55.401 0.3 . 1 . . . . 70 LEU CA . 19724 1 380 . 2 2 70 70 LEU CB C 13 42.332 0.3 . 1 . . . . 70 LEU CB . 19724 1 381 . 2 2 70 70 LEU N N 15 124.494 0.3 . 1 . . . . 70 LEU N . 19724 1 382 . 2 2 71 71 ARG H H 1 8.364 0.020 . 1 . . . . 71 ARG H . 19724 1 383 . 2 2 71 71 ARG HA H 1 4.374 0.020 . 1 . . . . 71 ARG HA . 19724 1 384 . 2 2 71 71 ARG CA C 13 56.168 0.3 . 1 . . . . 71 ARG CA . 19724 1 385 . 2 2 71 71 ARG CB C 13 30.512 0.3 . 1 . . . . 71 ARG CB . 19724 1 386 . 2 2 71 71 ARG N N 15 121.853 0.3 . 1 . . . . 71 ARG N . 19724 1 387 . 2 2 72 72 THR H H 1 8.120 0.020 . 1 . . . . 72 THR H . 19724 1 388 . 2 2 72 72 THR HA H 1 4.273 0.020 . 1 . . . . 72 THR HA . 19724 1 389 . 2 2 72 72 THR HG21 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 390 . 2 2 72 72 THR HG22 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 391 . 2 2 72 72 THR HG23 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 392 . 2 2 72 72 THR CA C 13 62.265 0.3 . 1 . . . . 72 THR CA . 19724 1 393 . 2 2 72 72 THR CB C 13 69.732 0.3 . 1 . . . . 72 THR CB . 19724 1 394 . 2 2 72 72 THR N N 15 114.564 0.3 . 1 . . . . 72 THR N . 19724 1 395 . 2 2 73 73 GLY H H 1 8.419 0.020 . 1 . . . . 73 GLY H . 19724 1 396 . 2 2 73 73 GLY HA2 H 1 3.948 0.020 . 1 . . . . 73 GLY HA2 . 19724 1 397 . 2 2 73 73 GLY HA3 H 1 3.948 0.020 . 1 . . . . 73 GLY HA3 . 19724 1 398 . 2 2 73 73 GLY CA C 13 45.264 0.3 . 1 . . . . 73 GLY CA . 19724 1 399 . 2 2 73 73 GLY N N 15 111.050 0.3 . 1 . . . . 73 GLY N . 19724 1 400 . 2 2 74 74 GLU H H 1 8.168 0.020 . 1 . . . . 74 GLU H . 19724 1 401 . 2 2 74 74 GLU HA H 1 4.258 0.020 . 1 . . . . 74 GLU HA . 19724 1 402 . 2 2 74 74 GLU HB2 H 1 1.883 0.020 . 2 . . . . 74 GLU HB2 . 19724 1 403 . 2 2 74 74 GLU HB3 H 1 1.985 0.020 . 2 . . . . 74 GLU HB3 . 19724 1 404 . 2 2 74 74 GLU HG2 H 1 2.184 0.020 . 1 . . . . 74 GLU HG2 . 19724 1 405 . 2 2 74 74 GLU CA C 13 56.397 0.3 . 1 . . . . 74 GLU CA . 19724 1 406 . 2 2 74 74 GLU CB C 13 30.442 0.3 . 1 . . . . 74 GLU CB . 19724 1 407 . 2 2 74 74 GLU N N 15 120.682 0.3 . 1 . . . . 74 GLU N . 19724 1 408 . 2 2 75 75 VAL H H 1 8.198 0.020 . 1 . . . . 75 VAL H . 19724 1 409 . 2 2 75 75 VAL HA H 1 3.985 0.020 . 1 . . . . 75 VAL HA . 19724 1 410 . 2 2 75 75 VAL HG11 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 411 . 2 2 75 75 VAL HG12 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 412 . 2 2 75 75 VAL HG13 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 413 . 2 2 75 75 VAL HG21 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 414 . 2 2 75 75 VAL HG22 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 415 . 2 2 75 75 VAL HG23 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 416 . 2 2 75 75 VAL CA C 13 62.276 0.3 . 1 . . . . 75 VAL CA . 19724 1 417 . 2 2 75 75 VAL CB C 13 32.606 0.3 . 1 . . . . 75 VAL CB . 19724 1 418 . 2 2 75 75 VAL N N 15 121.976 0.3 . 1 . . . . 75 VAL N . 19724 1 419 . 2 2 76 76 LYS H H 1 8.295 0.020 . 1 . . . . 76 LYS H . 19724 1 420 . 2 2 76 76 LYS HA H 1 4.266 0.020 . 1 . . . . 76 LYS HA . 19724 1 421 . 2 2 76 76 LYS HB2 H 1 1.640 0.020 . 1 . . . . 76 LYS HB2 . 19724 1 422 . 2 2 76 76 LYS HB3 H 1 1.640 0.020 . 1 . . . . 76 LYS HB3 . 19724 1 423 . 2 2 76 76 LYS HG2 H 1 1.272 0.020 . 1 . . . . 76 LYS HG2 . 19724 1 424 . 2 2 76 76 LYS HG3 H 1 1.272 0.020 . 1 . . . . 76 LYS HG3 . 19724 1 425 . 2 2 76 76 LYS CA C 13 55.989 0.3 . 1 . . . . 76 LYS CA . 19724 1 426 . 2 2 76 76 LYS CB C 13 32.857 0.3 . 1 . . . . 76 LYS CB . 19724 1 427 . 2 2 76 76 LYS N N 15 125.398 0.3 . 1 . . . . 76 LYS N . 19724 1 428 . 2 2 77 77 TRP H H 1 8.083 0.020 . 1 . . . . 77 TRP H . 19724 1 429 . 2 2 77 77 TRP HA H 1 4.686 0.020 . 1 . . . . 77 TRP HA . 19724 1 430 . 2 2 77 77 TRP HB2 H 1 3.175 0.020 . 2 . . . . 77 TRP HB2 . 19724 1 431 . 2 2 77 77 TRP HB3 H 1 3.276 0.020 . 2 . . . . 77 TRP HB3 . 19724 1 432 . 2 2 77 77 TRP CA C 13 56.971 0.3 . 1 . . . . 77 TRP CA . 19724 1 433 . 2 2 77 77 TRP CB C 13 29.850 0.3 . 1 . . . . 77 TRP CB . 19724 1 434 . 2 2 77 77 TRP N N 15 122.521 0.3 . 1 . . . . 77 TRP N . 19724 1 435 . 2 2 78 78 SER H H 1 8.223 0.020 . 1 . . . . 78 SER H . 19724 1 436 . 2 2 78 78 SER HA H 1 4.420 0.020 . 1 . . . . 78 SER HA . 19724 1 437 . 2 2 78 78 SER HB2 H 1 3.744 0.020 . 1 . . . . 78 SER HB2 . 19724 1 438 . 2 2 78 78 SER HB3 H 1 3.744 0.020 . 1 . . . . 78 SER HB3 . 19724 1 439 . 2 2 78 78 SER CA C 13 57.937 0.3 . 1 . . . . 78 SER CA . 19724 1 440 . 2 2 78 78 SER CB C 13 63.936 0.3 . 1 . . . . 78 SER CB . 19724 1 441 . 2 2 78 78 SER N N 15 117.805 0.3 . 1 . . . . 78 SER N . 19724 1 442 . 2 2 79 79 VAL H H 1 8.105 0.020 . 1 . . . . 79 VAL H . 19724 1 443 . 2 2 79 79 VAL HA H 1 4.053 0.020 . 1 . . . . 79 VAL HA . 19724 1 444 . 2 2 79 79 VAL HB H 1 2.057 0.020 . 1 . . . . 79 VAL HB . 19724 1 445 . 2 2 79 79 VAL HG11 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 446 . 2 2 79 79 VAL HG12 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 447 . 2 2 79 79 VAL HG13 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 448 . 2 2 79 79 VAL HG21 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 449 . 2 2 79 79 VAL HG22 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 450 . 2 2 79 79 VAL HG23 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 451 . 2 2 79 79 VAL CA C 13 62.707 0.3 . 1 . . . . 79 VAL CA . 19724 1 452 . 2 2 79 79 VAL CB C 13 32.443 0.3 . 1 . . . . 79 VAL CB . 19724 1 453 . 2 2 79 79 VAL N N 15 121.377 0.3 . 1 . . . . 79 VAL N . 19724 1 454 . 2 2 80 80 GLY H H 1 8.412 0.020 . 1 . . . . 80 GLY H . 19724 1 455 . 2 2 80 80 GLY HA2 H 1 3.951 0.020 . 2 . . . . 80 GLY HA2 . 19724 1 456 . 2 2 80 80 GLY HA3 H 1 3.908 0.020 . 2 . . . . 80 GLY HA3 . 19724 1 457 . 2 2 80 80 GLY CA C 13 45.017 0.3 . 1 . . . . 80 GLY CA . 19724 1 458 . 2 2 80 80 GLY N N 15 112.066 0.3 . 1 . . . . 80 GLY N . 19724 1 459 . 2 2 81 81 GLU H H 1 8.139 0.020 . 1 . . . . 81 GLU H . 19724 1 460 . 2 2 81 81 GLU HA H 1 4.211 0.020 . 1 . . . . 81 GLU HA . 19724 1 461 . 2 2 81 81 GLU HB2 H 1 1.833 0.020 . 1 . . . . 81 GLU HB2 . 19724 1 462 . 2 2 81 81 GLU HB3 H 1 1.833 0.020 . 1 . . . . 81 GLU HB3 . 19724 1 463 . 2 2 81 81 GLU CA C 13 56.333 0.3 . 1 . . . . 81 GLU CA . 19724 1 464 . 2 2 81 81 GLU CB C 13 30.438 0.3 . 1 . . . . 81 GLU CB . 19724 1 465 . 2 2 81 81 GLU N N 15 120.013 0.3 . 1 . . . . 81 GLU N . 19724 1 466 . 2 2 82 82 HIS H H 1 8.405 0.020 . 1 . . . . 82 HIS H . 19724 1 467 . 2 2 82 82 HIS HA H 1 4.813 0.020 . 1 . . . . 82 HIS HA . 19724 1 468 . 2 2 82 82 HIS CA C 13 53.703 0.3 . 1 . . . . 82 HIS CA . 19724 1 469 . 2 2 82 82 HIS CB C 13 29.633 0.3 . 1 . . . . 82 HIS CB . 19724 1 470 . 2 2 82 82 HIS N N 15 120.628 0.3 . 1 . . . . 82 HIS N . 19724 1 471 . 2 2 84 84 GLY H H 1 8.670 0.020 . 1 . . . . 84 GLY H . 19724 1 472 . 2 2 84 84 GLY HA2 H 1 3.951 0.020 . 1 . . . . 84 GLY HA2 . 19724 1 473 . 2 2 84 84 GLY HA3 H 1 3.951 0.020 . 1 . . . . 84 GLY HA3 . 19724 1 474 . 2 2 84 84 GLY CA C 13 45.240 0.3 . 1 . . . . 84 GLY CA . 19724 1 475 . 2 2 84 84 GLY N N 15 110.064 0.3 . 1 . . . . 84 GLY N . 19724 1 476 . 2 2 85 85 GLN H H 1 8.296 0.020 . 1 . . . . 85 GLN H . 19724 1 477 . 2 2 85 85 GLN HA H 1 4.343 0.020 . 1 . . . . 85 GLN HA . 19724 1 478 . 2 2 85 85 GLN CA C 13 55.632 0.3 . 1 . . . . 85 GLN CA . 19724 1 479 . 2 2 85 85 GLN CB C 13 29.719 0.3 . 1 . . . . 85 GLN CB . 19724 1 480 . 2 2 85 85 GLN N N 15 120.254 0.3 . 1 . . . . 85 GLN N . 19724 1 481 . 2 2 86 86 GLU H H 1 8.163 0.020 . 1 . . . . 86 GLU H . 19724 1 482 . 2 2 86 86 GLU HA H 1 4.111 0.020 . 1 . . . . 86 GLU HA . 19724 1 483 . 2 2 86 86 GLU CA C 13 58.163 0.3 . 1 . . . . 86 GLU CA . 19724 1 484 . 2 2 86 86 GLU CB C 13 30.984 0.3 . 1 . . . . 86 GLU CB . 19724 1 485 . 2 2 86 86 GLU N N 15 127.799 0.3 . 1 . . . . 86 GLU N . 19724 1 stop_ save_