################################### # 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 16592 _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 7 simNOESY . . . 16592 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 8 $XEASY . . 16592 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 GLY H H 1 8.337 0.020 . 1 . . . . . 3 GLY H . 16592 1 2 . 1 1 3 3 GLY HA2 H 1 4.308 0.020 . 2 . . . . . 3 GLY HA2 . 16592 1 3 . 1 1 3 3 GLY HA3 H 1 3.880 0.020 . 2 . . . . . 3 GLY HA3 . 16592 1 4 . 1 1 3 3 GLY CA C 13 44.714 0.400 . 1 . . . . . 3 GLY CA . 16592 1 5 . 1 1 4 4 ASP H H 1 8.223 0.020 . 1 . . . . . 4 ASP H . 16592 1 6 . 1 1 4 4 ASP HA H 1 5.315 0.020 . 1 . . . . . 4 ASP HA . 16592 1 7 . 1 1 4 4 ASP HB2 H 1 2.619 0.020 . 2 . . . . . 4 ASP HB2 . 16592 1 8 . 1 1 4 4 ASP HB3 H 1 2.517 0.020 . 2 . . . . . 4 ASP HB3 . 16592 1 9 . 1 1 4 4 ASP CA C 13 58.458 0.400 . 1 . . . . . 4 ASP CA . 16592 1 10 . 1 1 4 4 ASP CB C 13 41.275 0.400 . 1 . . . . . 4 ASP CB . 16592 1 11 . 1 1 4 4 ASP N N 15 119.687 0.400 . 1 . . . . . 4 ASP N . 16592 1 12 . 1 1 8 8 ASN H H 1 9.232 0.020 . 1 . . . . . 8 ASN H . 16592 1 13 . 1 1 8 8 ASN HA H 1 5.076 0.020 . 1 . . . . . 8 ASN HA . 16592 1 14 . 1 1 8 8 ASN HB2 H 1 2.641 0.020 . 2 . . . . . 8 ASN HB2 . 16592 1 15 . 1 1 8 8 ASN HB3 H 1 2.641 0.020 . 2 . . . . . 8 ASN HB3 . 16592 1 16 . 1 1 8 8 ASN CA C 13 52.276 0.400 . 1 . . . . . 8 ASN CA . 16592 1 17 . 1 1 8 8 ASN CB C 13 38.566 0.400 . 1 . . . . . 8 ASN CB . 16592 1 18 . 1 1 8 8 ASN N N 15 129.984 0.400 . 1 . . . . . 8 ASN N . 16592 1 19 . 1 1 13 13 ASN H H 1 8.616 0.020 . 1 . . . . . 13 ASN H . 16592 1 20 . 1 1 13 13 ASN HA H 1 5.024 0.020 . 1 . . . . . 13 ASN HA . 16592 1 21 . 1 1 13 13 ASN HB2 H 1 2.916 0.020 . 2 . . . . . 13 ASN HB2 . 16592 1 22 . 1 1 13 13 ASN HB3 H 1 2.411 0.020 . 2 . . . . . 13 ASN HB3 . 16592 1 23 . 1 1 13 13 ASN HD21 H 1 7.415 0.020 . 2 . . . . . 13 ASN HD21 . 16592 1 24 . 1 1 13 13 ASN HD22 H 1 7.100 0.020 . 2 . . . . . 13 ASN HD22 . 16592 1 25 . 1 1 13 13 ASN CA C 13 52.945 0.400 . 1 . . . . . 13 ASN CA . 16592 1 26 . 1 1 13 13 ASN CB C 13 39.596 0.400 . 1 . . . . . 13 ASN CB . 16592 1 27 . 1 1 13 13 ASN N N 15 122.544 0.400 . 1 . . . . . 13 ASN N . 16592 1 28 . 1 1 13 13 ASN ND2 N 15 144.521 0.400 . 1 . . . . . 13 ASN ND2 . 16592 1 29 . 1 1 14 14 VAL H H 1 8.619 0.020 . 1 . . . . . 14 VAL H . 16592 1 30 . 1 1 14 14 VAL HA H 1 4.133 0.020 . 1 . . . . . 14 VAL HA . 16592 1 31 . 1 1 14 14 VAL HB H 1 1.178 0.020 . 1 . . . . . 14 VAL HB . 16592 1 32 . 1 1 14 14 VAL HG11 H 1 0.502 0.020 . 2 . . . . . 14 VAL HG1 . 16592 1 33 . 1 1 14 14 VAL HG12 H 1 0.502 0.020 . 2 . . . . . 14 VAL HG1 . 16592 1 34 . 1 1 14 14 VAL HG13 H 1 0.502 0.020 . 2 . . . . . 14 VAL HG1 . 16592 1 35 . 1 1 14 14 VAL HG21 H 1 0.228 0.020 . 2 . . . . . 14 VAL HG2 . 16592 1 36 . 1 1 14 14 VAL HG22 H 1 0.228 0.020 . 2 . . . . . 14 VAL HG2 . 16592 1 37 . 1 1 14 14 VAL HG23 H 1 0.228 0.020 . 2 . . . . . 14 VAL HG2 . 16592 1 38 . 1 1 14 14 VAL CA C 13 61.096 0.400 . 1 . . . . . 14 VAL CA . 16592 1 39 . 1 1 14 14 VAL CB C 13 32.009 0.400 . 1 . . . . . 14 VAL CB . 16592 1 40 . 1 1 14 14 VAL CG1 C 13 21.490 0.400 . 1 . . . . . 14 VAL CG1 . 16592 1 41 . 1 1 14 14 VAL CG2 C 13 19.958 0.400 . 1 . . . . . 14 VAL CG2 . 16592 1 42 . 1 1 14 14 VAL N N 15 122.742 0.400 . 1 . . . . . 14 VAL N . 16592 1 43 . 1 1 15 15 ARG H H 1 9.322 0.020 . 1 . . . . . 15 ARG H . 16592 1 44 . 1 1 15 15 ARG HA H 1 5.514 0.020 . 1 . . . . . 15 ARG HA . 16592 1 45 . 1 1 15 15 ARG HB2 H 1 1.844 0.020 . 2 . . . . . 15 ARG HB2 . 16592 1 46 . 1 1 15 15 ARG HB3 H 1 1.835 0.020 . 2 . . . . . 15 ARG HB3 . 16592 1 47 . 1 1 15 15 ARG HD2 H 1 3.173 0.020 . 2 . . . . . 15 ARG HD2 . 16592 1 48 . 1 1 15 15 ARG HD3 H 1 3.169 0.020 . 2 . . . . . 15 ARG HD3 . 16592 1 49 . 1 1 15 15 ARG HG2 H 1 1.650 0.020 . 2 . . . . . 15 ARG HG2 . 16592 1 50 . 1 1 15 15 ARG HG3 H 1 1.639 0.020 . 2 . . . . . 15 ARG HG3 . 16592 1 51 . 1 1 15 15 ARG CA C 13 53.646 0.400 . 1 . . . . . 15 ARG CA . 16592 1 52 . 1 1 15 15 ARG CB C 13 34.426 0.400 . 1 . . . . . 15 ARG CB . 16592 1 53 . 1 1 15 15 ARG CD C 13 43.334 0.400 . 1 . . . . . 15 ARG CD . 16592 1 54 . 1 1 15 15 ARG CG C 13 27.530 0.400 . 1 . . . . . 15 ARG CG . 16592 1 55 . 1 1 15 15 ARG N N 15 125.781 0.400 . 1 . . . . . 15 ARG N . 16592 1 56 . 1 1 16 16 SER H H 1 8.730 0.020 . 1 . . . . . 16 SER H . 16592 1 57 . 1 1 16 16 SER HA H 1 4.470 0.020 . 1 . . . . . 16 SER HA . 16592 1 58 . 1 1 16 16 SER HB2 H 1 4.316 0.020 . 2 . . . . . 16 SER HB2 . 16592 1 59 . 1 1 16 16 SER HB3 H 1 3.778 0.020 . 2 . . . . . 16 SER HB3 . 16592 1 60 . 1 1 16 16 SER CA C 13 59.017 0.400 . 1 . . . . . 16 SER CA . 16592 1 61 . 1 1 16 16 SER CB C 13 19.276 0.400 . 1 . . . . . 16 SER CB . 16592 1 62 . 1 1 16 16 SER N N 15 112.631 0.400 . 1 . . . . . 16 SER N . 16592 1 63 . 1 1 18 18 GLU H H 1 6.979 0.020 . 1 . . . . . 18 GLU H . 16592 1 64 . 1 1 18 18 GLU HA H 1 4.421 0.020 . 1 . . . . . 18 GLU HA . 16592 1 65 . 1 1 18 18 GLU HB2 H 1 2.204 0.020 . 2 . . . . . 18 GLU HB2 . 16592 1 66 . 1 1 18 18 GLU HB3 H 1 1.948 0.020 . 2 . . . . . 18 GLU HB3 . 16592 1 67 . 1 1 18 18 GLU HG2 H 1 1.200 0.020 . 2 . . . . . 18 GLU HG2 . 16592 1 68 . 1 1 18 18 GLU HG3 H 1 1.182 0.020 . 2 . . . . . 18 GLU HG3 . 16592 1 69 . 1 1 18 18 GLU N N 15 113.293 0.400 . 1 . . . . . 18 GLU N . 16592 1 70 . 1 1 19 19 GLY H H 1 6.314 0.020 . 1 . . . . . 19 GLY H . 16592 1 71 . 1 1 19 19 GLY HA2 H 1 4.306 0.020 . 2 . . . . . 19 GLY HA2 . 16592 1 72 . 1 1 19 19 GLY HA3 H 1 3.916 0.020 . 2 . . . . . 19 GLY HA3 . 16592 1 73 . 1 1 19 19 GLY CA C 13 45.334 0.400 . 1 . . . . . 19 GLY CA . 16592 1 74 . 1 1 19 19 GLY N N 15 110.212 0.400 . 1 . . . . . 19 GLY N . 16592 1 75 . 1 1 20 20 THR H H 1 8.804 0.020 . 1 . . . . . 20 THR H . 16592 1 76 . 1 1 20 20 THR HA H 1 4.078 0.020 . 1 . . . . . 20 THR HA . 16592 1 77 . 1 1 20 20 THR HB H 1 4.570 0.020 . 1 . . . . . 20 THR HB . 16592 1 78 . 1 1 20 20 THR HG21 H 1 1.545 0.020 . 1 . . . . . 20 THR HG2 . 16592 1 79 . 1 1 20 20 THR HG22 H 1 1.545 0.020 . 1 . . . . . 20 THR HG2 . 16592 1 80 . 1 1 20 20 THR HG23 H 1 1.545 0.020 . 1 . . . . . 20 THR HG2 . 16592 1 81 . 1 1 20 20 THR CA C 13 63.267 0.400 . 1 . . . . . 20 THR CA . 16592 1 82 . 1 1 20 20 THR CB C 13 68.097 0.400 . 1 . . . . . 20 THR CB . 16592 1 83 . 1 1 20 20 THR CG2 C 13 22.038 0.400 . 1 . . . . . 20 THR CG2 . 16592 1 84 . 1 1 20 20 THR N N 15 110.310 0.400 . 1 . . . . . 20 THR N . 16592 1 85 . 1 1 21 21 ASN H H 1 8.752 0.020 . 1 . . . . . 21 ASN H . 16592 1 86 . 1 1 21 21 ASN HA H 1 4.580 0.020 . 1 . . . . . 21 ASN HA . 16592 1 87 . 1 1 21 21 ASN HB2 H 1 2.526 0.020 . 2 . . . . . 21 ASN HB2 . 16592 1 88 . 1 1 21 21 ASN HB3 H 1 2.507 0.020 . 2 . . . . . 21 ASN HB3 . 16592 1 89 . 1 1 21 21 ASN HD21 H 1 7.233 0.020 . 2 . . . . . 21 ASN HD21 . 16592 1 90 . 1 1 21 21 ASN HD22 H 1 6.121 0.020 . 2 . . . . . 21 ASN HD22 . 16592 1 91 . 1 1 21 21 ASN CA C 13 52.935 0.400 . 1 . . . . . 21 ASN CA . 16592 1 92 . 1 1 21 21 ASN CB C 13 36.494 0.400 . 1 . . . . . 21 ASN CB . 16592 1 93 . 1 1 21 21 ASN N N 15 115.437 0.400 . 1 . . . . . 21 ASN N . 16592 1 94 . 1 1 21 21 ASN ND2 N 15 143.449 0.400 . 1 . . . . . 21 ASN ND2 . 16592 1 95 . 1 1 22 22 TYR H H 1 6.870 0.020 . 1 . . . . . 22 TYR H . 16592 1 96 . 1 1 22 22 TYR HA H 1 4.277 0.020 . 1 . . . . . 22 TYR HA . 16592 1 97 . 1 1 22 22 TYR HB2 H 1 3.262 0.020 . 2 . . . . . 22 TYR HB2 . 16592 1 98 . 1 1 22 22 TYR HB3 H 1 2.515 0.020 . 2 . . . . . 22 TYR HB3 . 16592 1 99 . 1 1 22 22 TYR HD1 H 1 6.704 0.020 . 1 . . . . . 22 TYR HD1 . 16592 1 100 . 1 1 22 22 TYR HD2 H 1 6.707 0.020 . 1 . . . . . 22 TYR HD2 . 16592 1 101 . 1 1 22 22 TYR HE1 H 1 6.455 0.020 . 1 . . . . . 22 TYR HE1 . 16592 1 102 . 1 1 22 22 TYR HE2 H 1 6.452 0.020 . 1 . . . . . 22 TYR HE2 . 16592 1 103 . 1 1 22 22 TYR CA C 13 58.483 0.400 . 1 . . . . . 22 TYR CA . 16592 1 104 . 1 1 22 22 TYR CB C 13 39.094 0.400 . 1 . . . . . 22 TYR CB . 16592 1 105 . 1 1 22 22 TYR CD1 C 13 132.721 0.400 . 1 . . . . . 22 TYR CD1 . 16592 1 106 . 1 1 22 22 TYR CD2 C 13 132.724 0.400 . 1 . . . . . 22 TYR CD2 . 16592 1 107 . 1 1 22 22 TYR CE1 C 13 117.641 0.400 . 1 . . . . . 22 TYR CE1 . 16592 1 108 . 1 1 22 22 TYR CE2 C 13 117.632 0.400 . 1 . . . . . 22 TYR CE2 . 16592 1 109 . 1 1 22 22 TYR N N 15 118.413 0.400 . 1 . . . . . 22 TYR N . 16592 1 110 . 1 1 23 23 ARG H H 1 8.107 0.020 . 1 . . . . . 23 ARG H . 16592 1 111 . 1 1 23 23 ARG HA H 1 4.135 0.020 . 1 . . . . . 23 ARG HA . 16592 1 112 . 1 1 23 23 ARG HB2 H 1 1.847 0.020 . 2 . . . . . 23 ARG HB2 . 16592 1 113 . 1 1 23 23 ARG HB3 H 1 1.779 0.020 . 2 . . . . . 23 ARG HB3 . 16592 1 114 . 1 1 23 23 ARG HD2 H 1 3.224 0.020 . 2 . . . . . 23 ARG HD2 . 16592 1 115 . 1 1 23 23 ARG HD3 H 1 3.190 0.020 . 2 . . . . . 23 ARG HD3 . 16592 1 116 . 1 1 23 23 ARG HG2 H 1 1.687 0.020 . 2 . . . . . 23 ARG HG2 . 16592 1 117 . 1 1 23 23 ARG HG3 H 1 1.555 0.020 . 2 . . . . . 23 ARG HG3 . 16592 1 118 . 1 1 23 23 ARG CA C 13 56.315 0.400 . 1 . . . . . 23 ARG CA . 16592 1 119 . 1 1 23 23 ARG CB C 13 30.936 0.400 . 1 . . . . . 23 ARG CB . 16592 1 120 . 1 1 23 23 ARG CD C 13 43.345 0.400 . 1 . . . . . 23 ARG CD . 16592 1 121 . 1 1 23 23 ARG CG C 13 26.836 0.400 . 1 . . . . . 23 ARG CG . 16592 1 122 . 1 1 23 23 ARG N N 15 120.620 0.400 . 1 . . . . . 23 ARG N . 16592 1 123 . 1 1 24 24 ILE H H 1 8.535 0.020 . 1 . . . . . 24 ILE H . 16592 1 124 . 1 1 24 24 ILE HA H 1 4.296 0.020 . 1 . . . . . 24 ILE HA . 16592 1 125 . 1 1 24 24 ILE HB H 1 1.874 0.020 . 1 . . . . . 24 ILE HB . 16592 1 126 . 1 1 24 24 ILE HD11 H 1 0.828 0.020 . 1 . . . . . 24 ILE HD1 . 16592 1 127 . 1 1 24 24 ILE HD12 H 1 0.828 0.020 . 1 . . . . . 24 ILE HD1 . 16592 1 128 . 1 1 24 24 ILE HD13 H 1 0.828 0.020 . 1 . . . . . 24 ILE HD1 . 16592 1 129 . 1 1 24 24 ILE HG12 H 1 1.386 0.020 . 2 . . . . . 24 ILE HG12 . 16592 1 130 . 1 1 24 24 ILE HG13 H 1 1.133 0.020 . 2 . . . . . 24 ILE HG13 . 16592 1 131 . 1 1 24 24 ILE HG21 H 1 0.926 0.020 . 1 . . . . . 24 ILE HG2 . 16592 1 132 . 1 1 24 24 ILE HG22 H 1 0.926 0.020 . 1 . . . . . 24 ILE HG2 . 16592 1 133 . 1 1 24 24 ILE HG23 H 1 0.926 0.020 . 1 . . . . . 24 ILE HG2 . 16592 1 134 . 1 1 24 24 ILE CA C 13 61.695 0.400 . 1 . . . . . 24 ILE CA . 16592 1 135 . 1 1 24 24 ILE CB C 13 37.876 0.400 . 1 . . . . . 24 ILE CB . 16592 1 136 . 1 1 24 24 ILE CD1 C 13 12.389 0.400 . 1 . . . . . 24 ILE CD1 . 16592 1 137 . 1 1 24 24 ILE CG1 C 13 26.849 0.400 . 1 . . . . . 24 ILE CG1 . 16592 1 138 . 1 1 24 24 ILE CG2 C 13 17.220 0.400 . 1 . . . . . 24 ILE CG2 . 16592 1 139 . 1 1 24 24 ILE N N 15 121.314 0.400 . 1 . . . . . 24 ILE N . 16592 1 140 . 1 1 25 25 ILE H H 1 8.995 0.020 . 1 . . . . . 25 ILE H . 16592 1 141 . 1 1 25 25 ILE HA H 1 4.542 0.020 . 1 . . . . . 25 ILE HA . 16592 1 142 . 1 1 25 25 ILE HB H 1 2.080 0.020 . 1 . . . . . 25 ILE HB . 16592 1 143 . 1 1 25 25 ILE HD11 H 1 0.738 0.020 . 1 . . . . . 25 ILE HD1 . 16592 1 144 . 1 1 25 25 ILE HD12 H 1 0.738 0.020 . 1 . . . . . 25 ILE HD1 . 16592 1 145 . 1 1 25 25 ILE HD13 H 1 0.738 0.020 . 1 . . . . . 25 ILE HD1 . 16592 1 146 . 1 1 25 25 ILE HG12 H 1 0.898 0.020 . 2 . . . . . 25 ILE HG12 . 16592 1 147 . 1 1 25 25 ILE HG13 H 1 0.593 0.020 . 2 . . . . . 25 ILE HG13 . 16592 1 148 . 1 1 25 25 ILE HG21 H 1 0.882 0.020 . 1 . . . . . 25 ILE HG2 . 16592 1 149 . 1 1 25 25 ILE HG22 H 1 0.882 0.020 . 1 . . . . . 25 ILE HG2 . 16592 1 150 . 1 1 25 25 ILE HG23 H 1 0.882 0.020 . 1 . . . . . 25 ILE HG2 . 16592 1 151 . 1 1 25 25 ILE CA C 13 60.963 0.400 . 1 . . . . . 25 ILE CA . 16592 1 152 . 1 1 25 25 ILE CB C 13 38.523 0.400 . 1 . . . . . 25 ILE CB . 16592 1 153 . 1 1 25 25 ILE CD1 C 13 14.374 0.400 . 1 . . . . . 25 ILE CD1 . 16592 1 154 . 1 1 25 25 ILE CG1 C 13 25.827 0.400 . 1 . . . . . 25 ILE CG1 . 16592 1 155 . 1 1 25 25 ILE CG2 C 13 17.899 0.400 . 1 . . . . . 25 ILE CG2 . 16592 1 156 . 1 1 25 25 ILE N N 15 121.558 0.400 . 1 . . . . . 25 ILE N . 16592 1 157 . 1 1 26 26 GLY H H 1 7.396 0.020 . 1 . . . . . 26 GLY H . 16592 1 158 . 1 1 26 26 GLY HA2 H 1 4.140 0.020 . 2 . . . . . 26 GLY HA2 . 16592 1 159 . 1 1 26 26 GLY HA3 H 1 4.002 0.020 . 2 . . . . . 26 GLY HA3 . 16592 1 160 . 1 1 26 26 GLY CA C 13 44.715 0.400 . 1 . . . . . 26 GLY CA . 16592 1 161 . 1 1 26 26 GLY N N 15 108.443 0.400 . 1 . . . . . 26 GLY N . 16592 1 162 . 1 1 27 27 ALA H H 1 7.996 0.020 . 1 . . . . . 27 ALA H . 16592 1 163 . 1 1 27 27 ALA HA H 1 5.211 0.020 . 1 . . . . . 27 ALA HA . 16592 1 164 . 1 1 27 27 ALA HB1 H 1 1.217 0.020 . 1 . . . . . 27 ALA HB . 16592 1 165 . 1 1 27 27 ALA HB2 H 1 1.217 0.020 . 1 . . . . . 27 ALA HB . 16592 1 166 . 1 1 27 27 ALA HB3 H 1 1.217 0.020 . 1 . . . . . 27 ALA HB . 16592 1 167 . 1 1 27 27 ALA CA C 13 50.903 0.400 . 1 . . . . . 27 ALA CA . 16592 1 168 . 1 1 27 27 ALA CB C 13 21.348 0.400 . 1 . . . . . 27 ALA CB . 16592 1 169 . 1 1 27 27 ALA N N 15 120.625 0.400 . 1 . . . . . 27 ALA N . 16592 1 170 . 1 1 29 29 PRO HA H 1 4.952 0.020 . 1 . . . . . 29 PRO HA . 16592 1 171 . 1 1 29 29 PRO HB2 H 1 1.319 0.020 . 2 . . . . . 29 PRO HB2 . 16592 1 172 . 1 1 29 29 PRO HB3 H 1 1.316 0.020 . 2 . . . . . 29 PRO HB3 . 16592 1 173 . 1 1 29 29 PRO HD2 H 1 3.831 0.020 . 2 . . . . . 29 PRO HD2 . 16592 1 174 . 1 1 29 29 PRO HD3 H 1 3.613 0.020 . 2 . . . . . 29 PRO HD3 . 16592 1 175 . 1 1 29 29 PRO HG2 H 1 2.102 0.020 . 2 . . . . . 29 PRO HG2 . 16592 1 176 . 1 1 29 29 PRO HG3 H 1 2.021 0.020 . 2 . . . . . 29 PRO HG3 . 16592 1 177 . 1 1 29 29 PRO CA C 13 50.614 0.400 . 1 . . . . . 29 PRO CA . 16592 1 178 . 1 1 29 29 PRO CB C 13 26.144 0.400 . 1 . . . . . 29 PRO CB . 16592 1 179 . 1 1 29 29 PRO CD C 13 50.198 0.400 . 1 . . . . . 29 PRO CD . 16592 1 180 . 1 1 29 29 PRO CG C 13 26.824 0.400 . 1 . . . . . 29 PRO CG . 16592 1 181 . 1 1 32 32 GLN H H 1 9.259 0.020 . 1 . . . . . 32 GLN H . 16592 1 182 . 1 1 32 32 GLN HA H 1 5.443 0.020 . 1 . . . . . 32 GLN HA . 16592 1 183 . 1 1 32 32 GLN CA C 13 55.719 0.400 . 1 . . . . . 32 GLN CA . 16592 1 184 . 1 1 32 32 GLN N N 15 116.392 0.400 . 1 . . . . . 32 GLN N . 16592 1 185 . 1 1 34 34 VAL H H 1 8.618 0.020 . 1 . . . . . 34 VAL H . 16592 1 186 . 1 1 34 34 VAL HA H 1 4.132 0.020 . 1 . . . . . 34 VAL HA . 16592 1 187 . 1 1 34 34 VAL HB H 1 1.178 0.020 . 1 . . . . . 34 VAL HB . 16592 1 188 . 1 1 34 34 VAL HG11 H 1 0.502 0.020 . 2 . . . . . 34 VAL HG1 . 16592 1 189 . 1 1 34 34 VAL HG12 H 1 0.502 0.020 . 2 . . . . . 34 VAL HG1 . 16592 1 190 . 1 1 34 34 VAL HG13 H 1 0.502 0.020 . 2 . . . . . 34 VAL HG1 . 16592 1 191 . 1 1 34 34 VAL HG21 H 1 0.229 0.020 . 2 . . . . . 34 VAL HG2 . 16592 1 192 . 1 1 34 34 VAL HG22 H 1 0.229 0.020 . 2 . . . . . 34 VAL HG2 . 16592 1 193 . 1 1 34 34 VAL HG23 H 1 0.229 0.020 . 2 . . . . . 34 VAL HG2 . 16592 1 194 . 1 1 34 34 VAL CA C 13 61.096 0.400 . 1 . . . . . 34 VAL CA . 16592 1 195 . 1 1 34 34 VAL CB C 13 32.009 0.400 . 1 . . . . . 34 VAL CB . 16592 1 196 . 1 1 34 34 VAL CG1 C 13 21.490 0.400 . 1 . . . . . 34 VAL CG1 . 16592 1 197 . 1 1 34 34 VAL CG2 C 13 19.958 0.400 . 1 . . . . . 34 VAL CG2 . 16592 1 198 . 1 1 34 34 VAL N N 15 122.742 0.400 . 1 . . . . . 34 VAL N . 16592 1 199 . 1 1 36 36 VAL HB H 1 2.644 0.020 . 1 . . . . . 36 VAL HB . 16592 1 200 . 1 1 37 37 ILE H H 1 9.258 0.020 . 1 . . . . . 37 ILE H . 16592 1 201 . 1 1 37 37 ILE HA H 1 3.892 0.020 . 1 . . . . . 37 ILE HA . 16592 1 202 . 1 1 37 37 ILE HB H 1 1.431 0.020 . 1 . . . . . 37 ILE HB . 16592 1 203 . 1 1 37 37 ILE HD11 H 1 0.685 0.020 . 1 . . . . . 37 ILE HD1 . 16592 1 204 . 1 1 37 37 ILE HD12 H 1 0.685 0.020 . 1 . . . . . 37 ILE HD1 . 16592 1 205 . 1 1 37 37 ILE HD13 H 1 0.685 0.020 . 1 . . . . . 37 ILE HD1 . 16592 1 206 . 1 1 37 37 ILE HG12 H 1 1.062 0.020 . 1 . . . . . 37 ILE HG12 . 16592 1 207 . 1 1 37 37 ILE HG13 H 1 1.545 0.020 . 1 . . . . . 37 ILE HG13 . 16592 1 208 . 1 1 37 37 ILE HG21 H 1 0.889 0.020 . 1 . . . . . 37 ILE HG2 . 16592 1 209 . 1 1 37 37 ILE HG22 H 1 0.889 0.020 . 1 . . . . . 37 ILE HG2 . 16592 1 210 . 1 1 37 37 ILE HG23 H 1 0.889 0.020 . 1 . . . . . 37 ILE HG2 . 16592 1 211 . 1 1 37 37 ILE CA C 13 63.577 0.400 . 1 . . . . . 37 ILE CA . 16592 1 212 . 1 1 37 37 ILE CB C 13 39.554 0.400 . 1 . . . . . 37 ILE CB . 16592 1 213 . 1 1 37 37 ILE CD1 C 13 13.410 0.400 . 1 . . . . . 37 ILE CD1 . 16592 1 214 . 1 1 37 37 ILE CG1 C 13 27.940 0.400 . 1 . . . . . 37 ILE CG1 . 16592 1 215 . 1 1 37 37 ILE CG2 C 13 17.360 0.400 . 1 . . . . . 37 ILE CG2 . 16592 1 216 . 1 1 37 37 ILE N N 15 129.778 0.400 . 1 . . . . . 37 ILE N . 16592 1 217 . 1 1 38 38 SER H H 1 7.438 0.020 . 1 . . . . . 38 SER H . 16592 1 218 . 1 1 38 38 SER HA H 1 4.463 0.020 . 1 . . . . . 38 SER HA . 16592 1 219 . 1 1 38 38 SER HB2 H 1 3.941 0.020 . 2 . . . . . 38 SER HB2 . 16592 1 220 . 1 1 38 38 SER HB3 H 1 3.935 0.020 . 2 . . . . . 38 SER HB3 . 16592 1 221 . 1 1 38 38 SER CA C 13 57.098 0.400 . 1 . . . . . 38 SER CA . 16592 1 222 . 1 1 38 38 SER CB C 13 63.350 0.400 . 1 . . . . . 38 SER CB . 16592 1 223 . 1 1 38 38 SER N N 15 109.846 0.400 . 1 . . . . . 38 SER N . 16592 1 224 . 1 1 39 39 GLU H H 1 8.698 0.020 . 1 . . . . . 39 GLU H . 16592 1 225 . 1 1 39 39 GLU HA H 1 5.181 0.020 . 1 . . . . . 39 GLU HA . 16592 1 226 . 1 1 39 39 GLU HB2 H 1 1.983 0.020 . 2 . . . . . 39 GLU HB2 . 16592 1 227 . 1 1 39 39 GLU HB3 H 1 1.737 0.020 . 2 . . . . . 39 GLU HB3 . 16592 1 228 . 1 1 39 39 GLU HG2 H 1 2.167 0.020 . 2 . . . . . 39 GLU HG2 . 16592 1 229 . 1 1 39 39 GLU HG3 H 1 2.159 0.020 . 2 . . . . . 39 GLU HG3 . 16592 1 230 . 1 1 39 39 GLU CA C 13 55.046 0.400 . 1 . . . . . 39 GLU CA . 16592 1 231 . 1 1 39 39 GLU CB C 13 32.339 0.400 . 1 . . . . . 39 GLU CB . 16592 1 232 . 1 1 39 39 GLU CG C 13 35.101 0.400 . 1 . . . . . 39 GLU CG . 16592 1 233 . 1 1 39 39 GLU N N 15 120.149 0.400 . 1 . . . . . 39 GLU N . 16592 1 234 . 1 1 40 40 ASN H H 1 8.802 0.020 . 1 . . . . . 40 ASN H . 16592 1 235 . 1 1 40 40 ASN HA H 1 4.774 0.020 . 1 . . . . . 40 ASN HA . 16592 1 236 . 1 1 40 40 ASN HB2 H 1 2.930 0.020 . 2 . . . . . 40 ASN HB2 . 16592 1 237 . 1 1 40 40 ASN HB3 H 1 2.915 0.020 . 2 . . . . . 40 ASN HB3 . 16592 1 238 . 1 1 40 40 ASN HD21 H 1 8.102 0.020 . 2 . . . . . 40 ASN HD21 . 16592 1 239 . 1 1 40 40 ASN HD22 H 1 7.030 0.020 . 2 . . . . . 40 ASN HD22 . 16592 1 240 . 1 1 40 40 ASN CA C 13 54.054 0.400 . 1 . . . . . 40 ASN CA . 16592 1 241 . 1 1 40 40 ASN CB C 13 41.280 0.400 . 1 . . . . . 40 ASN CB . 16592 1 242 . 1 1 40 40 ASN N N 15 119.687 0.400 . 1 . . . . . 40 ASN N . 16592 1 243 . 1 1 40 40 ASN ND2 N 15 145.934 0.400 . 1 . . . . . 40 ASN ND2 . 16592 1 244 . 1 1 41 41 SER H H 1 9.138 0.020 . 1 . . . . . 41 SER H . 16592 1 245 . 1 1 41 41 SER HA H 1 4.054 0.020 . 1 . . . . . 41 SER HA . 16592 1 246 . 1 1 41 41 SER HB2 H 1 4.184 0.020 . 2 . . . . . 41 SER HB2 . 16592 1 247 . 1 1 41 41 SER HB3 H 1 3.903 0.020 . 2 . . . . . 41 SER HB3 . 16592 1 248 . 1 1 41 41 SER CA C 13 58.464 0.400 . 1 . . . . . 41 SER CA . 16592 1 249 . 1 1 41 41 SER CB C 13 61.911 0.400 . 1 . . . . . 41 SER CB . 16592 1 250 . 1 1 41 41 SER N N 15 118.754 0.400 . 1 . . . . . 41 SER N . 16592 1 251 . 1 1 42 42 GLY H H 1 8.411 0.020 . 1 . . . . . 42 GLY H . 16592 1 252 . 1 1 42 42 GLY HA2 H 1 4.080 0.020 . 2 . . . . . 42 GLY HA2 . 16592 1 253 . 1 1 42 42 GLY HA3 H 1 3.419 0.020 . 2 . . . . . 42 GLY HA3 . 16592 1 254 . 1 1 42 42 GLY CA C 13 45.042 0.400 . 1 . . . . . 42 GLY CA . 16592 1 255 . 1 1 42 42 GLY N N 15 105.488 0.400 . 1 . . . . . 42 GLY N . 16592 1 256 . 1 1 43 43 TRP H H 1 8.216 0.020 . 1 . . . . . 43 TRP H . 16592 1 257 . 1 1 43 43 TRP HA H 1 5.046 0.020 . 1 . . . . . 43 TRP HA . 16592 1 258 . 1 1 43 43 TRP HB2 H 1 3.178 0.020 . 1 . . . . . 43 TRP HB2 . 16592 1 259 . 1 1 43 43 TRP HB3 H 1 3.055 0.020 . 1 . . . . . 43 TRP HB3 . 16592 1 260 . 1 1 43 43 TRP HD1 H 1 7.094 0.020 . 1 . . . . . 43 TRP HD1 . 16592 1 261 . 1 1 43 43 TRP HE1 H 1 10.090 0.020 . 1 . . . . . 43 TRP HE1 . 16592 1 262 . 1 1 43 43 TRP HE3 H 1 7.287 0.020 . 1 . . . . . 43 TRP HE3 . 16592 1 263 . 1 1 43 43 TRP HH2 H 1 7.099 0.020 . 1 . . . . . 43 TRP HH2 . 16592 1 264 . 1 1 43 43 TRP HZ2 H 1 7.450 0.020 . 1 . . . . . 43 TRP HZ2 . 16592 1 265 . 1 1 43 43 TRP HZ3 H 1 6.506 0.020 . 1 . . . . . 43 TRP HZ3 . 16592 1 266 . 1 1 43 43 TRP CA C 13 56.182 0.400 . 1 . . . . . 43 TRP CA . 16592 1 267 . 1 1 43 43 TRP CB C 13 32.162 0.400 . 1 . . . . . 43 TRP CB . 16592 1 268 . 1 1 43 43 TRP CD1 C 13 127.917 0.400 . 1 . . . . . 43 TRP CD1 . 16592 1 269 . 1 1 43 43 TRP CE3 C 13 119.369 0.400 . 1 . . . . . 43 TRP CE3 . 16592 1 270 . 1 1 43 43 TRP CH2 C 13 127.924 0.400 . 1 . . . . . 43 TRP CH2 . 16592 1 271 . 1 1 43 43 TRP CZ2 C 13 113.384 0.400 . 1 . . . . . 43 TRP CZ2 . 16592 1 272 . 1 1 43 43 TRP CZ3 C 13 117.527 0.400 . 1 . . . . . 43 TRP CZ3 . 16592 1 273 . 1 1 43 43 TRP N N 15 122.262 0.400 . 1 . . . . . 43 TRP N . 16592 1 274 . 1 1 43 43 TRP NE1 N 15 129.055 0.400 . 1 . . . . . 43 TRP NE1 . 16592 1 275 . 1 1 44 44 SER H H 1 10.151 0.020 . 1 . . . . . 44 SER H . 16592 1 276 . 1 1 44 44 SER HA H 1 5.028 0.020 . 1 . . . . . 44 SER HA . 16592 1 277 . 1 1 44 44 SER HB2 H 1 3.594 0.020 . 2 . . . . . 44 SER HB2 . 16592 1 278 . 1 1 44 44 SER HB3 H 1 3.534 0.020 . 2 . . . . . 44 SER HB3 . 16592 1 279 . 1 1 44 44 SER CA C 13 58.463 0.400 . 1 . . . . . 44 SER CA . 16592 1 280 . 1 1 44 44 SER CB C 13 64.198 0.400 . 1 . . . . . 44 SER CB . 16592 1 281 . 1 1 44 44 SER N N 15 122.494 0.400 . 1 . . . . . 44 SER N . 16592 1 282 . 1 1 45 45 LYS H H 1 8.905 0.020 . 1 . . . . . 45 LYS H . 16592 1 283 . 1 1 45 45 LYS HA H 1 4.474 0.020 . 1 . . . . . 45 LYS HA . 16592 1 284 . 1 1 45 45 LYS HB2 H 1 1.763 0.020 . 2 . . . . . 45 LYS HB2 . 16592 1 285 . 1 1 45 45 LYS HB3 H 1 1.591 0.020 . 2 . . . . . 45 LYS HB3 . 16592 1 286 . 1 1 45 45 LYS HD2 H 1 1.497 0.020 . 2 . . . . . 45 LYS HD2 . 16592 1 287 . 1 1 45 45 LYS HD3 H 1 1.493 0.020 . 2 . . . . . 45 LYS HD3 . 16592 1 288 . 1 1 45 45 LYS HE2 H 1 2.814 0.020 . 2 . . . . . 45 LYS HE2 . 16592 1 289 . 1 1 45 45 LYS HE3 H 1 2.807 0.020 . 2 . . . . . 45 LYS HE3 . 16592 1 290 . 1 1 45 45 LYS HG2 H 1 0.902 0.020 . 2 . . . . . 45 LYS HG2 . 16592 1 291 . 1 1 45 45 LYS HG3 H 1 0.671 0.020 . 2 . . . . . 45 LYS HG3 . 16592 1 292 . 1 1 45 45 LYS CA C 13 55.039 0.400 . 1 . . . . . 45 LYS CA . 16592 1 293 . 1 1 45 45 LYS CB C 13 33.755 0.400 . 1 . . . . . 45 LYS CB . 16592 1 294 . 1 1 45 45 LYS CD C 13 29.594 0.400 . 1 . . . . . 45 LYS CD . 16592 1 295 . 1 1 45 45 LYS CE C 13 41.780 0.400 . 1 . . . . . 45 LYS CE . 16592 1 296 . 1 1 45 45 LYS CG C 13 24.775 0.400 . 1 . . . . . 45 LYS CG . 16592 1 297 . 1 1 45 45 LYS N N 15 128.116 0.400 . 1 . . . . . 45 LYS N . 16592 1 298 . 1 1 46 46 ILE H H 1 8.912 0.020 . 1 . . . . . 46 ILE H . 16592 1 299 . 1 1 46 46 ILE HA H 1 4.974 0.020 . 1 . . . . . 46 ILE HA . 16592 1 300 . 1 1 46 46 ILE HB H 1 1.805 0.020 . 1 . . . . . 46 ILE HB . 16592 1 301 . 1 1 46 46 ILE HD11 H 1 0.685 0.020 . 1 . . . . . 46 ILE HD1 . 16592 1 302 . 1 1 46 46 ILE HD12 H 1 0.685 0.020 . 1 . . . . . 46 ILE HD1 . 16592 1 303 . 1 1 46 46 ILE HD13 H 1 0.685 0.020 . 1 . . . . . 46 ILE HD1 . 16592 1 304 . 1 1 46 46 ILE HG12 H 1 0.998 0.020 . 2 . . . . . 46 ILE HG12 . 16592 1 305 . 1 1 46 46 ILE HG13 H 1 0.643 0.020 . 2 . . . . . 46 ILE HG13 . 16592 1 306 . 1 1 46 46 ILE HG21 H 1 0.708 0.020 . 1 . . . . . 46 ILE HG2 . 16592 1 307 . 1 1 46 46 ILE HG22 H 1 0.708 0.020 . 1 . . . . . 46 ILE HG2 . 16592 1 308 . 1 1 46 46 ILE HG23 H 1 0.708 0.020 . 1 . . . . . 46 ILE HG2 . 16592 1 309 . 1 1 46 46 ILE CA C 13 58.570 0.400 . 1 . . . . . 46 ILE CA . 16592 1 310 . 1 1 46 46 ILE CB C 13 42.651 0.400 . 1 . . . . . 46 ILE CB . 16592 1 311 . 1 1 46 46 ILE CD1 C 13 13.312 0.400 . 1 . . . . . 46 ILE CD1 . 16592 1 312 . 1 1 46 46 ILE CG1 C 13 24.670 0.400 . 1 . . . . . 46 ILE CG1 . 16592 1 313 . 1 1 46 46 ILE CG2 C 13 17.222 0.400 . 1 . . . . . 46 ILE CG2 . 16592 1 314 . 1 1 46 46 ILE N N 15 119.419 0.400 . 1 . . . . . 46 ILE N . 16592 1 315 . 1 1 47 47 ASN H H 1 8.855 0.020 . 1 . . . . . 47 ASN H . 16592 1 316 . 1 1 47 47 ASN HA H 1 5.016 0.020 . 1 . . . . . 47 ASN HA . 16592 1 317 . 1 1 47 47 ASN HB2 H 1 2.756 0.020 . 2 . . . . . 47 ASN HB2 . 16592 1 318 . 1 1 47 47 ASN HB3 H 1 2.515 0.020 . 2 . . . . . 47 ASN HB3 . 16592 1 319 . 1 1 47 47 ASN HD21 H 1 7.352 0.020 . 2 . . . . . 47 ASN HD21 . 16592 1 320 . 1 1 47 47 ASN HD22 H 1 6.679 0.020 . 2 . . . . . 47 ASN HD22 . 16592 1 321 . 1 1 47 47 ASN CA C 13 52.281 0.400 . 1 . . . . . 47 ASN CA . 16592 1 322 . 1 1 47 47 ASN CB C 13 39.208 0.400 . 1 . . . . . 47 ASN CB . 16592 1 323 . 1 1 47 47 ASN N N 15 119.209 0.400 . 1 . . . . . 47 ASN N . 16592 1 324 . 1 1 47 47 ASN ND2 N 15 81.254 0.400 . 1 . . . . . 47 ASN ND2 . 16592 1 325 . 1 1 48 48 TYR H H 1 9.147 0.020 . 1 . . . . . 48 TYR H . 16592 1 326 . 1 1 48 48 TYR HA H 1 4.647 0.020 . 1 . . . . . 48 TYR HA . 16592 1 327 . 1 1 48 48 TYR HB2 H 1 2.637 0.020 . 2 . . . . . 48 TYR HB2 . 16592 1 328 . 1 1 48 48 TYR HB3 H 1 2.463 0.020 . 2 . . . . . 48 TYR HB3 . 16592 1 329 . 1 1 48 48 TYR HD1 H 1 6.864 0.020 . 1 . . . . . 48 TYR HD1 . 16592 1 330 . 1 1 48 48 TYR HD2 H 1 6.861 0.020 . 1 . . . . . 48 TYR HD2 . 16592 1 331 . 1 1 48 48 TYR HE1 H 1 6.701 0.020 . 1 . . . . . 48 TYR HE1 . 16592 1 332 . 1 1 48 48 TYR HE2 H 1 6.699 0.020 . 1 . . . . . 48 TYR HE2 . 16592 1 333 . 1 1 48 48 TYR CA C 13 56.347 0.400 . 1 . . . . . 48 TYR CA . 16592 1 334 . 1 1 48 48 TYR CB C 13 39.210 0.400 . 1 . . . . . 48 TYR CB . 16592 1 335 . 1 1 48 48 TYR CD1 C 13 132.692 0.400 . 1 . . . . . 48 TYR CD1 . 16592 1 336 . 1 1 48 48 TYR CD2 C 13 132.743 0.400 . 1 . . . . . 48 TYR CD2 . 16592 1 337 . 1 1 48 48 TYR CE1 C 13 117.810 0.400 . 1 . . . . . 48 TYR CE1 . 16592 1 338 . 1 1 48 48 TYR CE2 C 13 117.639 0.400 . 1 . . . . . 48 TYR CE2 . 16592 1 339 . 1 1 48 48 TYR N N 15 126.582 0.400 . 1 . . . . . 48 TYR N . 16592 1 340 . 1 1 49 49 ASN H H 1 8.807 0.020 . 1 . . . . . 49 ASN H . 16592 1 341 . 1 1 49 49 ASN HA H 1 4.110 0.020 . 1 . . . . . 49 ASN HA . 16592 1 342 . 1 1 49 49 ASN HB2 H 1 2.796 0.020 . 2 . . . . . 49 ASN HB2 . 16592 1 343 . 1 1 49 49 ASN HB3 H 1 2.113 0.020 . 2 . . . . . 49 ASN HB3 . 16592 1 344 . 1 1 49 49 ASN HD21 H 1 6.841 0.020 . 2 . . . . . 49 ASN HD21 . 16592 1 345 . 1 1 49 49 ASN HD22 H 1 6.601 0.020 . 2 . . . . . 49 ASN HD22 . 16592 1 346 . 1 1 49 49 ASN CA C 13 53.309 0.400 . 1 . . . . . 49 ASN CA . 16592 1 347 . 1 1 49 49 ASN CB C 13 37.118 0.400 . 1 . . . . . 49 ASN CB . 16592 1 348 . 1 1 49 49 ASN N N 15 125.133 0.400 . 1 . . . . . 49 ASN N . 16592 1 349 . 1 1 49 49 ASN ND2 N 15 141.238 0.400 . 1 . . . . . 49 ASN ND2 . 16592 1 350 . 1 1 50 50 GLY H H 1 8.202 0.020 . 1 . . . . . 50 GLY H . 16592 1 351 . 1 1 50 50 GLY HA2 H 1 4.149 0.020 . 2 . . . . . 50 GLY HA2 . 16592 1 352 . 1 1 50 50 GLY HA3 H 1 3.626 0.020 . 2 . . . . . 50 GLY HA3 . 16592 1 353 . 1 1 50 50 GLY CA C 13 45.402 0.400 . 1 . . . . . 50 GLY CA . 16592 1 354 . 1 1 50 50 GLY N N 15 104.198 0.400 . 1 . . . . . 50 GLY N . 16592 1 355 . 1 1 51 51 GLN H H 1 7.799 0.020 . 1 . . . . . 51 GLN H . 16592 1 356 . 1 1 51 51 GLN HA H 1 4.651 0.020 . 1 . . . . . 51 GLN HA . 16592 1 357 . 1 1 51 51 GLN HB2 H 1 2.053 0.020 . 2 . . . . . 51 GLN HB2 . 16592 1 358 . 1 1 51 51 GLN HB3 H 1 2.050 0.020 . 2 . . . . . 51 GLN HB3 . 16592 1 359 . 1 1 51 51 GLN HE21 H 1 7.476 0.020 . 2 . . . . . 51 GLN HE21 . 16592 1 360 . 1 1 51 51 GLN HE22 H 1 6.937 0.020 . 2 . . . . . 51 GLN HE22 . 16592 1 361 . 1 1 51 51 GLN HG2 H 1 2.331 0.020 . 2 . . . . . 51 GLN HG2 . 16592 1 362 . 1 1 51 51 GLN HG3 H 1 2.250 0.020 . 2 . . . . . 51 GLN HG3 . 16592 1 363 . 1 1 51 51 GLN CA C 13 53.530 0.400 . 1 . . . . . 51 GLN CA . 16592 1 364 . 1 1 51 51 GLN CB C 13 31.653 0.400 . 1 . . . . . 51 GLN CB . 16592 1 365 . 1 1 51 51 GLN CG C 13 33.421 0.400 . 1 . . . . . 51 GLN CG . 16592 1 366 . 1 1 51 51 GLN N N 15 119.235 0.400 . 1 . . . . . 51 GLN N . 16592 1 367 . 1 1 51 51 GLN NE2 N 15 81.255 0.400 . 1 . . . . . 51 GLN NE2 . 16592 1 368 . 1 1 52 52 THR H H 1 8.491 0.020 . 1 . . . . . 52 THR H . 16592 1 369 . 1 1 52 52 THR HA H 1 4.546 0.020 . 1 . . . . . 52 THR HA . 16592 1 370 . 1 1 52 52 THR HB H 1 3.864 0.020 . 1 . . . . . 52 THR HB . 16592 1 371 . 1 1 52 52 THR HG21 H 1 0.930 0.020 . 1 . . . . . 52 THR HG2 . 16592 1 372 . 1 1 52 52 THR HG22 H 1 0.930 0.020 . 1 . . . . . 52 THR HG2 . 16592 1 373 . 1 1 52 52 THR HG23 H 1 0.930 0.020 . 1 . . . . . 52 THR HG2 . 16592 1 374 . 1 1 52 52 THR CA C 13 62.631 0.400 . 1 . . . . . 52 THR CA . 16592 1 375 . 1 1 52 52 THR CB C 13 69.224 0.400 . 1 . . . . . 52 THR CB . 16592 1 376 . 1 1 52 52 THR CG2 C 13 22.075 0.400 . 1 . . . . . 52 THR CG2 . 16592 1 377 . 1 1 52 52 THR N N 15 118.279 0.400 . 1 . . . . . 52 THR N . 16592 1 378 . 1 1 53 53 GLY H H 1 8.406 0.020 . 1 . . . . . 53 GLY H . 16592 1 379 . 1 1 53 53 GLY HA2 H 1 4.588 0.020 . 2 . . . . . 53 GLY HA2 . 16592 1 380 . 1 1 53 53 GLY HA3 H 1 3.115 0.020 . 2 . . . . . 53 GLY HA3 . 16592 1 381 . 1 1 53 53 GLY CA C 13 43.338 0.400 . 1 . . . . . 53 GLY CA . 16592 1 382 . 1 1 53 53 GLY N N 15 111.718 0.400 . 1 . . . . . 53 GLY N . 16592 1 383 . 1 1 54 54 TYR H H 1 8.734 0.020 . 1 . . . . . 54 TYR H . 16592 1 384 . 1 1 54 54 TYR HA H 1 5.667 0.020 . 1 . . . . . 54 TYR HA . 16592 1 385 . 1 1 54 54 TYR HB2 H 1 2.730 0.020 . 1 . . . . . 54 TYR HB2 . 16592 1 386 . 1 1 54 54 TYR HB3 H 1 2.308 0.020 . 1 . . . . . 54 TYR HB3 . 16592 1 387 . 1 1 54 54 TYR HD1 H 1 6.616 0.020 . 1 . . . . . 54 TYR HD1 . 16592 1 388 . 1 1 54 54 TYR HD2 H 1 6.605 0.020 . 1 . . . . . 54 TYR HD2 . 16592 1 389 . 1 1 54 54 TYR HE1 H 1 6.505 0.020 . 1 . . . . . 54 TYR HE1 . 16592 1 390 . 1 1 54 54 TYR HE2 H 1 6.504 0.020 . 1 . . . . . 54 TYR HE2 . 16592 1 391 . 1 1 54 54 TYR CA C 13 56.403 0.400 . 1 . . . . . 54 TYR CA . 16592 1 392 . 1 1 54 54 TYR CB C 13 41.962 0.400 . 1 . . . . . 54 TYR CB . 16592 1 393 . 1 1 54 54 TYR CD1 C 13 132.717 0.400 . 1 . . . . . 54 TYR CD1 . 16592 1 394 . 1 1 54 54 TYR CD2 C 13 132.716 0.400 . 1 . . . . . 54 TYR CD2 . 16592 1 395 . 1 1 54 54 TYR CE1 C 13 117.592 0.400 . 1 . . . . . 54 TYR CE1 . 16592 1 396 . 1 1 54 54 TYR CE2 C 13 117.633 0.400 . 1 . . . . . 54 TYR CE2 . 16592 1 397 . 1 1 54 54 TYR N N 15 116.106 0.400 . 1 . . . . . 54 TYR N . 16592 1 398 . 1 1 55 55 ILE H H 1 9.160 0.020 . 1 . . . . . 55 ILE H . 16592 1 399 . 1 1 55 55 ILE HA H 1 5.318 0.020 . 1 . . . . . 55 ILE HA . 16592 1 400 . 1 1 55 55 ILE HB H 1 1.919 0.020 . 1 . . . . . 55 ILE HB . 16592 1 401 . 1 1 55 55 ILE HD11 H 1 0.673 0.020 . 1 . . . . . 55 ILE HD1 . 16592 1 402 . 1 1 55 55 ILE HD12 H 1 0.673 0.020 . 1 . . . . . 55 ILE HD1 . 16592 1 403 . 1 1 55 55 ILE HD13 H 1 0.673 0.020 . 1 . . . . . 55 ILE HD1 . 16592 1 404 . 1 1 55 55 ILE HG12 H 1 1.342 0.020 . 2 . . . . . 55 ILE HG12 . 16592 1 405 . 1 1 55 55 ILE HG13 H 1 1.069 0.020 . 2 . . . . . 55 ILE HG13 . 16592 1 406 . 1 1 55 55 ILE HG21 H 1 0.926 0.020 . 1 . . . . . 55 ILE HG2 . 16592 1 407 . 1 1 55 55 ILE HG22 H 1 0.926 0.020 . 1 . . . . . 55 ILE HG2 . 16592 1 408 . 1 1 55 55 ILE HG23 H 1 0.926 0.020 . 1 . . . . . 55 ILE HG2 . 16592 1 409 . 1 1 55 55 ILE CA C 13 58.471 0.400 . 1 . . . . . 55 ILE CA . 16592 1 410 . 1 1 55 55 ILE CB C 13 42.618 0.400 . 1 . . . . . 55 ILE CB . 16592 1 411 . 1 1 55 55 ILE CD1 C 13 15.074 0.400 . 1 . . . . . 55 ILE CD1 . 16592 1 412 . 1 1 55 55 ILE CG1 C 13 24.771 0.400 . 1 . . . . . 55 ILE CG1 . 16592 1 413 . 1 1 55 55 ILE CG2 C 13 19.283 0.400 . 1 . . . . . 55 ILE CG2 . 16592 1 414 . 1 1 55 55 ILE N N 15 115.023 0.400 . 1 . . . . . 55 ILE N . 16592 1 415 . 1 1 56 56 GLY H H 1 9.066 0.020 . 1 . . . . . 56 GLY H . 16592 1 416 . 1 1 56 56 GLY HA2 H 1 3.612 0.020 . 2 . . . . . 56 GLY HA2 . 16592 1 417 . 1 1 56 56 GLY HA3 H 1 3.164 0.020 . 2 . . . . . 56 GLY HA3 . 16592 1 418 . 1 1 56 56 GLY CA C 13 46.091 0.400 . 1 . . . . . 56 GLY CA . 16592 1 419 . 1 1 56 56 GLY N N 15 111.661 0.400 . 1 . . . . . 56 GLY N . 16592 1 420 . 1 1 57 57 THR H H 1 8.142 0.020 . 1 . . . . . 57 THR H . 16592 1 421 . 1 1 57 57 THR HA H 1 3.436 0.020 . 1 . . . . . 57 THR HA . 16592 1 422 . 1 1 57 57 THR HB H 1 3.463 0.020 . 1 . . . . . 57 THR HB . 16592 1 423 . 1 1 57 57 THR HG21 H 1 0.928 0.020 . 1 . . . . . 57 THR HG2 . 16592 1 424 . 1 1 57 57 THR HG22 H 1 0.928 0.020 . 1 . . . . . 57 THR HG2 . 16592 1 425 . 1 1 57 57 THR HG23 H 1 0.928 0.020 . 1 . . . . . 57 THR HG2 . 16592 1 426 . 1 1 57 57 THR CA C 13 65.333 0.400 . 1 . . . . . 57 THR CA . 16592 1 427 . 1 1 57 57 THR CB C 13 68.778 0.400 . 1 . . . . . 57 THR CB . 16592 1 428 . 1 1 57 57 THR CG2 C 13 22.038 0.400 . 1 . . . . . 57 THR CG2 . 16592 1 429 . 1 1 57 57 THR N N 15 124.844 0.400 . 1 . . . . . 57 THR N . 16592 1 430 . 1 1 58 58 ARG H H 1 8.261 0.020 . 1 . . . . . 58 ARG H . 16592 1 431 . 1 1 58 58 ARG HA H 1 3.990 0.020 . 1 . . . . . 58 ARG HA . 16592 1 432 . 1 1 58 58 ARG HB2 H 1 1.587 0.020 . 2 . . . . . 58 ARG HB2 . 16592 1 433 . 1 1 58 58 ARG HB3 H 1 1.236 0.020 . 2 . . . . . 58 ARG HB3 . 16592 1 434 . 1 1 58 58 ARG HD2 H 1 2.748 0.020 . 2 . . . . . 58 ARG HD2 . 16592 1 435 . 1 1 58 58 ARG HD3 H 1 2.735 0.020 . 2 . . . . . 58 ARG HD3 . 16592 1 436 . 1 1 58 58 ARG HG2 H 1 0.786 0.020 . 2 . . . . . 58 ARG HG2 . 16592 1 437 . 1 1 58 58 ARG HG3 H 1 0.154 0.020 . 2 . . . . . 58 ARG HG3 . 16592 1 438 . 1 1 58 58 ARG CA C 13 57.045 0.400 . 1 . . . . . 58 ARG CA . 16592 1 439 . 1 1 58 58 ARG CB C 13 28.213 0.400 . 1 . . . . . 58 ARG CB . 16592 1 440 . 1 1 58 58 ARG CD C 13 42.694 0.400 . 1 . . . . . 58 ARG CD . 16592 1 441 . 1 1 58 58 ARG CG C 13 24.405 0.400 . 1 . . . . . 58 ARG CG . 16592 1 442 . 1 1 58 58 ARG N N 15 116.486 0.400 . 1 . . . . . 58 ARG N . 16592 1 443 . 1 1 59 59 TYR H H 1 7.298 0.020 . 1 . . . . . 59 TYR H . 16592 1 444 . 1 1 59 59 TYR HA H 1 4.775 0.020 . 1 . . . . . 59 TYR HA . 16592 1 445 . 1 1 59 59 TYR HB2 H 1 3.347 0.020 . 1 . . . . . 59 TYR HB2 . 16592 1 446 . 1 1 59 59 TYR HB3 H 1 2.664 0.020 . 1 . . . . . 59 TYR HB3 . 16592 1 447 . 1 1 59 59 TYR HD1 H 1 7.117 0.020 . 1 . . . . . 59 TYR HD1 . 16592 1 448 . 1 1 59 59 TYR HD2 H 1 7.108 0.020 . 1 . . . . . 59 TYR HD2 . 16592 1 449 . 1 1 59 59 TYR HE1 H 1 6.782 0.020 . 1 . . . . . 59 TYR HE1 . 16592 1 450 . 1 1 59 59 TYR HE2 H 1 6.780 0.020 . 1 . . . . . 59 TYR HE2 . 16592 1 451 . 1 1 59 59 TYR CA C 13 53.961 0.400 . 1 . . . . . 59 TYR CA . 16592 1 452 . 1 1 59 59 TYR CB C 13 38.522 0.400 . 1 . . . . . 59 TYR CB . 16592 1 453 . 1 1 59 59 TYR CD1 C 13 132.717 0.400 . 1 . . . . . 59 TYR CD1 . 16592 1 454 . 1 1 59 59 TYR CD2 C 13 132.718 0.400 . 1 . . . . . 59 TYR CD2 . 16592 1 455 . 1 1 59 59 TYR CE1 C 13 117.651 0.400 . 1 . . . . . 59 TYR CE1 . 16592 1 456 . 1 1 59 59 TYR CE2 C 13 117.654 0.400 . 1 . . . . . 59 TYR CE2 . 16592 1 457 . 1 1 59 59 TYR N N 15 118.931 0.400 . 1 . . . . . 59 TYR N . 16592 1 458 . 1 1 60 60 LEU H H 1 7.430 0.020 . 1 . . . . . 60 LEU H . 16592 1 459 . 1 1 60 60 LEU HA H 1 5.028 0.020 . 1 . . . . . 60 LEU HA . 16592 1 460 . 1 1 60 60 LEU HB2 H 1 1.797 0.020 . 1 . . . . . 60 LEU HB2 . 16592 1 461 . 1 1 60 60 LEU HB3 H 1 1.131 0.020 . 1 . . . . . 60 LEU HB3 . 16592 1 462 . 1 1 60 60 LEU HD11 H 1 0.519 0.020 . 2 . . . . . 60 LEU HD1 . 16592 1 463 . 1 1 60 60 LEU HD12 H 1 0.519 0.020 . 2 . . . . . 60 LEU HD1 . 16592 1 464 . 1 1 60 60 LEU HD13 H 1 0.519 0.020 . 2 . . . . . 60 LEU HD1 . 16592 1 465 . 1 1 60 60 LEU HD21 H 1 0.404 0.020 . 2 . . . . . 60 LEU HD2 . 16592 1 466 . 1 1 60 60 LEU HD22 H 1 0.404 0.020 . 2 . . . . . 60 LEU HD2 . 16592 1 467 . 1 1 60 60 LEU HD23 H 1 0.404 0.020 . 2 . . . . . 60 LEU HD2 . 16592 1 468 . 1 1 60 60 LEU HG H 1 1.521 0.020 . 1 . . . . . 60 LEU HG . 16592 1 469 . 1 1 60 60 LEU CA C 13 52.950 0.400 . 1 . . . . . 60 LEU CA . 16592 1 470 . 1 1 60 60 LEU CB C 13 44.020 0.400 . 1 . . . . . 60 LEU CB . 16592 1 471 . 1 1 60 60 LEU CD1 C 13 23.449 0.400 . 1 . . . . . 60 LEU CD1 . 16592 1 472 . 1 1 60 60 LEU CD2 C 13 24.738 0.400 . 1 . . . . . 60 LEU CD2 . 16592 1 473 . 1 1 60 60 LEU CG C 13 25.582 0.400 . 1 . . . . . 60 LEU CG . 16592 1 474 . 1 1 60 60 LEU N N 15 118.281 0.400 . 1 . . . . . 60 LEU N . 16592 1 475 . 1 1 61 61 SER H H 1 8.959 0.020 . 1 . . . . . 61 SER H . 16592 1 476 . 1 1 61 61 SER HA H 1 4.894 0.020 . 1 . . . . . 61 SER HA . 16592 1 477 . 1 1 61 61 SER HB2 H 1 3.738 0.020 . 2 . . . . . 61 SER HB2 . 16592 1 478 . 1 1 61 61 SER HB3 H 1 3.733 0.020 . 2 . . . . . 61 SER HB3 . 16592 1 479 . 1 1 61 61 SER CA C 13 56.428 0.400 . 1 . . . . . 61 SER CA . 16592 1 480 . 1 1 61 61 SER CB C 13 65.345 0.400 . 1 . . . . . 61 SER CB . 16592 1 481 . 1 1 61 61 SER N N 15 115.830 0.400 . 1 . . . . . 61 SER N . 16592 1 482 . 1 1 62 62 LYS H H 1 8.872 0.020 . 1 . . . . . 62 LYS H . 16592 1 483 . 1 1 62 62 LYS HA H 1 3.960 0.020 . 1 . . . . . 62 LYS HA . 16592 1 484 . 1 1 62 62 LYS HB2 H 1 1.725 0.020 . 2 . . . . . 62 LYS HB2 . 16592 1 485 . 1 1 62 62 LYS HB3 H 1 1.605 0.020 . 2 . . . . . 62 LYS HB3 . 16592 1 486 . 1 1 62 62 LYS HD2 H 1 1.236 0.020 . 2 . . . . . 62 LYS HD2 . 16592 1 487 . 1 1 62 62 LYS HD3 H 1 1.589 0.020 . 2 . . . . . 62 LYS HD3 . 16592 1 488 . 1 1 62 62 LYS HE2 H 1 2.752 0.020 . 2 . . . . . 62 LYS HE2 . 16592 1 489 . 1 1 62 62 LYS HE3 H 1 2.748 0.020 . 2 . . . . . 62 LYS HE3 . 16592 1 490 . 1 1 62 62 LYS HG2 H 1 1.188 0.020 . 2 . . . . . 62 LYS HG2 . 16592 1 491 . 1 1 62 62 LYS HG3 H 1 1.177 0.020 . 2 . . . . . 62 LYS HG3 . 16592 1 492 . 1 1 62 62 LYS CA C 13 57.079 0.400 . 1 . . . . . 62 LYS CA . 16592 1 493 . 1 1 62 62 LYS CB C 13 33.016 0.400 . 1 . . . . . 62 LYS CB . 16592 1 494 . 1 1 62 62 LYS CD C 13 28.213 0.400 . 1 . . . . . 62 LYS CD . 16592 1 495 . 1 1 62 62 LYS CE C 13 43.111 0.400 . 1 . . . . . 62 LYS CE . 16592 1 496 . 1 1 62 62 LYS CG C 13 24.768 0.400 . 1 . . . . . 62 LYS CG . 16592 1 497 . 1 1 62 62 LYS N N 15 125.311 0.400 . 1 . . . . . 62 LYS N . 16592 1 498 . 1 1 63 63 LEU H H 1 7.997 0.020 . 1 . . . . . 63 LEU H . 16592 1 499 . 1 1 63 63 LEU HA H 1 4.328 0.020 . 1 . . . . . 63 LEU HA . 16592 1 500 . 1 1 63 63 LEU HB2 H 1 1.363 0.020 . 2 . . . . . 63 LEU HB2 . 16592 1 501 . 1 1 63 63 LEU HB3 H 1 1.313 0.020 . 2 . . . . . 63 LEU HB3 . 16592 1 502 . 1 1 63 63 LEU HD11 H 1 0.755 0.020 . 2 . . . . . 63 LEU HD1 . 16592 1 503 . 1 1 63 63 LEU HD12 H 1 0.755 0.020 . 2 . . . . . 63 LEU HD1 . 16592 1 504 . 1 1 63 63 LEU HD13 H 1 0.755 0.020 . 2 . . . . . 63 LEU HD1 . 16592 1 505 . 1 1 63 63 LEU HD21 H 1 0.756 0.020 . 2 . . . . . 63 LEU HD2 . 16592 1 506 . 1 1 63 63 LEU HD22 H 1 0.756 0.020 . 2 . . . . . 63 LEU HD2 . 16592 1 507 . 1 1 63 63 LEU HD23 H 1 0.756 0.020 . 2 . . . . . 63 LEU HD2 . 16592 1 508 . 1 1 63 63 LEU HG H 1 1.420 0.020 . 1 . . . . . 63 LEU HG . 16592 1 509 . 1 1 63 63 LEU CA C 13 54.323 0.400 . 1 . . . . . 63 LEU CA . 16592 1 510 . 1 1 63 63 LEU CB C 13 42.672 0.400 . 1 . . . . . 63 LEU CB . 16592 1 511 . 1 1 63 63 LEU CD1 C 13 23.968 0.400 . 1 . . . . . 63 LEU CD1 . 16592 1 512 . 1 1 63 63 LEU CD2 C 13 24.207 0.400 . 1 . . . . . 63 LEU CD2 . 16592 1 513 . 1 1 63 63 LEU CG C 13 26.770 0.400 . 1 . . . . . 63 LEU CG . 16592 1 514 . 1 1 63 63 LEU N N 15 121.820 0.400 . 1 . . . . . 63 LEU N . 16592 1 515 . 1 1 64 64 GLU H H 1 8.274 0.020 . 1 . . . . . 64 GLU H . 16592 1 516 . 1 1 64 64 GLU N N 15 122.967 0.400 . 1 . . . . . 64 GLU N . 16592 1 stop_ save_