################################### # 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_chemical_shifts_1_Rab1b-GTP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_Rab1b-GTP _Assigned_chem_shift_list.Entry_ID 50175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Rab1b-GTP _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 $chem_shift_reference_1_DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50175 1 2 '3D 1H-15N NOESY' . . . 50175 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLU H H 1 8.504 0.000 . 1 . . . . . 4 GLU H . 50175 1 2 . 1 . 1 3 3 GLU HA H 1 4.306 0.000 . 1 . . . . . 4 GLU HA . 50175 1 3 . 1 . 1 3 3 GLU N N 15 122.224 0.000 . 1 . . . . . 4 GLU N . 50175 1 4 . 1 . 1 4 4 TYR H H 1 7.053 0.000 . 1 . . . . . 5 TYR H . 50175 1 5 . 1 . 1 4 4 TYR HA H 1 4.109 0.000 . 1 . . . . . 5 TYR HA . 50175 1 6 . 1 . 1 4 4 TYR HE1 H 1 6.697 0.000 . 1 . . . . . 5 TYR HE1 . 50175 1 7 . 1 . 1 4 4 TYR HE2 H 1 6.697 0.000 . 1 . . . . . 5 TYR HE2 . 50175 1 8 . 1 . 1 4 4 TYR N N 15 115.070 0.000 . 1 . . . . . 5 TYR N . 50175 1 9 . 1 . 1 5 5 ASP H H 1 9.044 0.000 . 1 . . . . . 6 ASP H . 50175 1 10 . 1 . 1 5 5 ASP HA H 1 4.538 0.000 . 1 . . . . . 6 ASP HA . 50175 1 11 . 1 . 1 5 5 ASP HB2 H 1 2.686 0.000 . 2 . . . . . 6 ASP HB2 . 50175 1 12 . 1 . 1 5 5 ASP HB3 H 1 2.940 0.000 . 2 . . . . . 6 ASP HB3 . 50175 1 13 . 1 . 1 5 5 ASP N N 15 120.676 0.000 . 1 . . . . . 6 ASP N . 50175 1 14 . 1 . 1 6 6 TYR H H 1 7.745 0.000 . 1 . . . . . 7 TYR H . 50175 1 15 . 1 . 1 6 6 TYR HA H 1 4.566 0.000 . 1 . . . . . 7 TYR HA . 50175 1 16 . 1 . 1 6 6 TYR HD1 H 1 7.012 0.000 . 1 . . . . . 7 TYR HD1 . 50175 1 17 . 1 . 1 6 6 TYR HD2 H 1 7.012 0.000 . 1 . . . . . 7 TYR HD2 . 50175 1 18 . 1 . 1 6 6 TYR HE1 H 1 6.713 0.000 . 1 . . . . . 7 TYR HE1 . 50175 1 19 . 1 . 1 6 6 TYR HE2 H 1 6.713 0.000 . 1 . . . . . 7 TYR HE2 . 50175 1 20 . 1 . 1 6 6 TYR N N 15 115.931 0.000 . 1 . . . . . 7 TYR N . 50175 1 21 . 1 . 1 7 7 LEU H H 1 8.410 0.000 . 1 . . . . . 8 LEU H . 50175 1 22 . 1 . 1 7 7 LEU N N 15 126.294 0.000 . 1 . . . . . 8 LEU N . 50175 1 23 . 1 . 1 8 8 PHE H H 1 8.731 0.000 . 1 . . . . . 9 PHE H . 50175 1 24 . 1 . 1 8 8 PHE N N 15 125.045 0.000 . 1 . . . . . 9 PHE N . 50175 1 25 . 1 . 1 9 9 LYS H H 1 11.493 0.000 . 1 . . . . . 10 LYS H . 50175 1 26 . 1 . 1 9 9 LYS N N 15 127.790 0.000 . 1 . . . . . 10 LYS N . 50175 1 27 . 1 . 1 10 10 LEU H H 1 9.720 0.000 . 1 . . . . . 11 LEU H . 50175 1 28 . 1 . 1 10 10 LEU N N 15 126.945 0.000 . 1 . . . . . 11 LEU N . 50175 1 29 . 1 . 1 11 11 LEU H H 1 8.111 0.000 . 1 . . . . . 12 LEU H . 50175 1 30 . 1 . 1 11 11 LEU N N 15 122.315 0.000 . 1 . . . . . 12 LEU N . 50175 1 31 . 1 . 1 12 12 LEU H H 1 8.262 0.000 . 1 . . . . . 13 LEU H . 50175 1 32 . 1 . 1 12 12 LEU N N 15 123.844 0.000 . 1 . . . . . 13 LEU N . 50175 1 33 . 1 . 1 13 13 ILE H H 1 8.809 0.000 . 1 . . . . . 14 ILE H . 50175 1 34 . 1 . 1 13 13 ILE N N 15 117.486 0.000 . 1 . . . . . 14 ILE N . 50175 1 35 . 1 . 1 15 15 ASP H H 1 8.702 0.000 . 1 . . . . . 16 ASP H . 50175 1 36 . 1 . 1 15 15 ASP N N 15 121.242 0.000 . 1 . . . . . 16 ASP N . 50175 1 37 . 1 . 1 16 16 SER H H 1 8.869 0.000 . 1 . . . . . 17 SER H . 50175 1 38 . 1 . 1 16 16 SER N N 15 116.321 0.000 . 1 . . . . . 17 SER N . 50175 1 39 . 1 . 1 17 17 GLY N N 15 112.610 0.000 . 1 . . . . . 18 GLY N . 50175 1 40 . 1 . 1 18 18 VAL H H 1 7.457 0.000 . 1 . . . . . 19 VAL H . 50175 1 41 . 1 . 1 18 18 VAL N N 15 113.633 0.000 . 1 . . . . . 19 VAL N . 50175 1 42 . 1 . 1 19 19 GLY H H 1 8.451 0.000 . 1 . . . . . 20 GLY H . 50175 1 43 . 1 . 1 19 19 GLY N N 15 108.516 0.000 . 1 . . . . . 20 GLY N . 50175 1 44 . 1 . 1 20 20 LYS H H 1 9.037 0.000 . 1 . . . . . 21 LYS H . 50175 1 45 . 1 . 1 20 20 LYS N N 15 123.986 0.000 . 1 . . . . . 21 LYS N . 50175 1 46 . 1 . 1 21 21 SER H H 1 9.078 0.000 . 1 . . . . . 22 SER H . 50175 1 47 . 1 . 1 21 21 SER N N 15 117.728 0.000 . 1 . . . . . 22 SER N . 50175 1 48 . 1 . 1 22 22 CYS H H 1 9.323 0.000 . 1 . . . . . 23 CYS H . 50175 1 49 . 1 . 1 22 22 CYS N N 15 122.574 0.000 . 1 . . . . . 23 CYS N . 50175 1 50 . 1 . 1 23 23 LEU H H 1 9.069 0.000 . 1 . . . . . 24 LEU H . 50175 1 51 . 1 . 1 23 23 LEU N N 15 126.457 0.000 . 1 . . . . . 24 LEU N . 50175 1 52 . 1 . 1 24 24 LEU H H 1 7.966 0.000 . 1 . . . . . 25 LEU H . 50175 1 53 . 1 . 1 24 24 LEU N N 15 120.020 0.000 . 1 . . . . . 25 LEU N . 50175 1 54 . 1 . 1 25 25 LEU H H 1 8.893 0.000 . 1 . . . . . 26 LEU H . 50175 1 55 . 1 . 1 25 25 LEU N N 15 122.106 0.000 . 1 . . . . . 26 LEU N . 50175 1 56 . 1 . 1 26 26 ARG H H 1 8.460 0.000 . 1 . . . . . 27 ARG H . 50175 1 57 . 1 . 1 26 26 ARG N N 15 120.553 0.000 . 1 . . . . . 27 ARG N . 50175 1 58 . 1 . 1 27 27 PHE H H 1 8.240 0.000 . 1 . . . . . 28 PHE H . 50175 1 59 . 1 . 1 27 27 PHE N N 15 120.380 0.000 . 1 . . . . . 28 PHE N . 50175 1 60 . 1 . 1 28 28 ALA H H 1 9.264 0.000 . 1 . . . . . 29 ALA H . 50175 1 61 . 1 . 1 28 28 ALA N N 15 119.455 0.000 . 1 . . . . . 29 ALA N . 50175 1 62 . 1 . 1 29 29 ASP H H 1 7.622 0.000 . 1 . . . . . 30 ASP H . 50175 1 63 . 1 . 1 29 29 ASP N N 15 115.894 0.000 . 1 . . . . . 30 ASP N . 50175 1 64 . 1 . 1 30 30 ASP H H 1 7.744 0.000 . 1 . . . . . 31 ASP H . 50175 1 65 . 1 . 1 30 30 ASP N N 15 121.834 0.000 . 1 . . . . . 31 ASP N . 50175 1 66 . 1 . 1 31 31 THR H H 1 7.194 0.000 . 1 . . . . . 32 THR H . 50175 1 67 . 1 . 1 31 31 THR N N 15 110.596 0.000 . 1 . . . . . 32 THR N . 50175 1 68 . 1 . 1 32 32 TYR H H 1 8.086 0.000 . 1 . . . . . 33 TYR H . 50175 1 69 . 1 . 1 32 32 TYR N N 15 119.400 0.000 . 1 . . . . . 33 TYR N . 50175 1 70 . 1 . 1 34 34 GLU H H 1 8.390 0.000 . 1 . . . . . 35 GLU H . 50175 1 71 . 1 . 1 34 34 GLU N N 15 125.227 0.000 . 1 . . . . . 35 GLU N . 50175 1 72 . 1 . 1 35 35 SER H H 1 8.092 0.000 . 1 . . . . . 36 SER H . 50175 1 73 . 1 . 1 35 35 SER N N 15 119.449 0.000 . 1 . . . . . 36 SER N . 50175 1 74 . 1 . 1 36 36 TYR H H 1 8.793 0.000 . 1 . . . . . 37 TYR H . 50175 1 75 . 1 . 1 36 36 TYR N N 15 125.234 0.000 . 1 . . . . . 37 TYR N . 50175 1 76 . 1 . 1 37 37 ILE H H 1 8.851 0.000 . 1 . . . . . 38 ILE H . 50175 1 77 . 1 . 1 37 37 ILE N N 15 134.335 0.000 . 1 . . . . . 38 ILE N . 50175 1 78 . 1 . 1 45 45 LYS H H 1 8.416 0.000 . 1 . . . . . 46 LYS H . 50175 1 79 . 1 . 1 45 45 LYS N N 15 122.951 0.000 . 1 . . . . . 46 LYS N . 50175 1 80 . 1 . 1 46 46 ILE H H 1 8.079 0.000 . 1 . . . . . 47 ILE H . 50175 1 81 . 1 . 1 46 46 ILE N N 15 118.645 0.000 . 1 . . . . . 47 ILE N . 50175 1 82 . 1 . 1 47 47 ARG H H 1 8.492 0.000 . 1 . . . . . 48 ARG H . 50175 1 83 . 1 . 1 47 47 ARG N N 15 126.091 0.000 . 1 . . . . . 48 ARG N . 50175 1 84 . 1 . 1 48 48 THR H H 1 8.677 0.000 . 1 . . . . . 49 THR H . 50175 1 85 . 1 . 1 48 48 THR N N 15 123.292 0.000 . 1 . . . . . 49 THR N . 50175 1 86 . 1 . 1 49 49 ILE H H 1 9.181 0.000 . 1 . . . . . 50 ILE H . 50175 1 87 . 1 . 1 49 49 ILE N N 15 121.728 0.000 . 1 . . . . . 50 ILE N . 50175 1 88 . 1 . 1 50 50 GLU H H 1 8.305 0.000 . 1 . . . . . 51 GLU H . 50175 1 89 . 1 . 1 50 50 GLU N N 15 122.478 0.000 . 1 . . . . . 51 GLU N . 50175 1 90 . 1 . 1 51 51 LEU H H 1 8.799 0.000 . 1 . . . . . 52 LEU H . 50175 1 91 . 1 . 1 51 51 LEU N N 15 125.961 0.000 . 1 . . . . . 52 LEU N . 50175 1 92 . 1 . 1 52 52 ASP H H 1 9.421 0.000 . 1 . . . . . 53 ASP H . 50175 1 93 . 1 . 1 52 52 ASP N N 15 126.447 0.000 . 1 . . . . . 53 ASP N . 50175 1 94 . 1 . 1 53 53 GLY H H 1 8.887 0.000 . 1 . . . . . 54 GLY H . 50175 1 95 . 1 . 1 53 53 GLY N N 15 105.495 0.000 . 1 . . . . . 54 GLY N . 50175 1 96 . 1 . 1 54 54 LYS H H 1 8.054 0.000 . 1 . . . . . 55 LYS H . 50175 1 97 . 1 . 1 54 54 LYS N N 15 121.166 0.000 . 1 . . . . . 55 LYS N . 50175 1 98 . 1 . 1 56 56 ILE H H 1 9.434 0.000 . 1 . . . . . 57 ILE H . 50175 1 99 . 1 . 1 56 56 ILE N N 15 130.940 0.000 . 1 . . . . . 57 ILE N . 50175 1 100 . 1 . 1 57 57 LYS H H 1 8.795 0.000 . 1 . . . . . 58 LYS H . 50175 1 101 . 1 . 1 57 57 LYS N N 15 130.529 0.000 . 1 . . . . . 58 LYS N . 50175 1 102 . 1 . 1 58 58 LEU H H 1 8.749 0.000 . 1 . . . . . 59 LEU H . 50175 1 103 . 1 . 1 58 58 LEU N N 15 127.127 0.000 . 1 . . . . . 59 LEU N . 50175 1 104 . 1 . 1 59 59 GLN H H 1 8.859 0.000 . 1 . . . . . 60 GLN H . 50175 1 105 . 1 . 1 59 59 GLN N N 15 125.682 0.000 . 1 . . . . . 60 GLN N . 50175 1 106 . 1 . 1 60 60 ILE H H 1 8.602 0.000 . 1 . . . . . 61 ILE H . 50175 1 107 . 1 . 1 60 60 ILE N N 15 126.694 0.000 . 1 . . . . . 61 ILE N . 50175 1 108 . 1 . 1 61 61 TRP H H 1 9.298 0.000 . 1 . . . . . 62 TRP H . 50175 1 109 . 1 . 1 61 61 TRP HE1 H 1 9.710 0.000 . 1 . . . . . 62 TRP HE1 . 50175 1 110 . 1 . 1 61 61 TRP N N 15 128.001 0.000 . 1 . . . . . 62 TRP N . 50175 1 111 . 1 . 1 61 61 TRP NE1 N 15 129.389 0.000 . 1 . . . . . 62 TRP NE1 . 50175 1 112 . 1 . 1 62 62 ASP H H 1 8.942 0.000 . 1 . . . . . 63 ASP H . 50175 1 113 . 1 . 1 62 62 ASP N N 15 125.918 0.000 . 1 . . . . . 63 ASP N . 50175 1 114 . 1 . 1 79 79 GLY H H 1 7.559 0.000 . 1 . . . . . 80 GLY H . 50175 1 115 . 1 . 1 79 79 GLY N N 15 108.669 0.000 . 1 . . . . . 80 GLY N . 50175 1 116 . 1 . 1 80 80 ALA H H 1 7.063 0.000 . 1 . . . . . 81 ALA H . 50175 1 117 . 1 . 1 80 80 ALA N N 15 121.633 0.000 . 1 . . . . . 81 ALA N . 50175 1 118 . 1 . 1 81 81 HIS H H 1 9.730 0.000 . 1 . . . . . 82 HIS H . 50175 1 119 . 1 . 1 81 81 HIS N N 15 122.697 0.000 . 1 . . . . . 82 HIS N . 50175 1 120 . 1 . 1 82 82 GLY H H 1 7.797 0.000 . 1 . . . . . 83 GLY H . 50175 1 121 . 1 . 1 82 82 GLY N N 15 105.010 0.000 . 1 . . . . . 83 GLY N . 50175 1 122 . 1 . 1 83 83 ILE H H 1 8.863 0.000 . 1 . . . . . 84 ILE H . 50175 1 123 . 1 . 1 83 83 ILE N N 15 124.508 0.000 . 1 . . . . . 84 ILE N . 50175 1 124 . 1 . 1 84 84 ILE H H 1 9.023 0.000 . 1 . . . . . 85 ILE H . 50175 1 125 . 1 . 1 84 84 ILE N N 15 129.279 0.000 . 1 . . . . . 85 ILE N . 50175 1 126 . 1 . 1 85 85 VAL H H 1 8.920 0.000 . 1 . . . . . 86 VAL H . 50175 1 127 . 1 . 1 85 85 VAL N N 15 129.662 0.000 . 1 . . . . . 86 VAL N . 50175 1 128 . 1 . 1 86 86 VAL H H 1 8.770 0.000 . 1 . . . . . 87 VAL H . 50175 1 129 . 1 . 1 86 86 VAL N N 15 128.563 0.000 . 1 . . . . . 87 VAL N . 50175 1 130 . 1 . 1 87 87 TYR H H 1 9.175 0.000 . 1 . . . . . 88 TYR H . 50175 1 131 . 1 . 1 87 87 TYR N N 15 123.835 0.000 . 1 . . . . . 88 TYR N . 50175 1 132 . 1 . 1 88 88 ASP H H 1 8.885 0.000 . 1 . . . . . 89 ASP H . 50175 1 133 . 1 . 1 88 88 ASP N N 15 122.964 0.000 . 1 . . . . . 89 ASP N . 50175 1 134 . 1 . 1 89 89 VAL H H 1 8.793 0.000 . 1 . . . . . 90 VAL H . 50175 1 135 . 1 . 1 89 89 VAL N N 15 119.765 0.000 . 1 . . . . . 90 VAL N . 50175 1 136 . 1 . 1 90 90 THR H H 1 9.507 0.000 . 1 . . . . . 91 THR H . 50175 1 137 . 1 . 1 90 90 THR N N 15 114.447 0.000 . 1 . . . . . 91 THR N . 50175 1 138 . 1 . 1 91 91 ASP H H 1 8.299 0.000 . 1 . . . . . 92 ASP H . 50175 1 139 . 1 . 1 91 91 ASP N N 15 125.371 0.000 . 1 . . . . . 92 ASP N . 50175 1 140 . 1 . 1 92 92 GLN H H 1 9.188 0.000 . 1 . . . . . 93 GLN H . 50175 1 141 . 1 . 1 92 92 GLN N N 15 127.948 0.000 . 1 . . . . . 93 GLN N . 50175 1 142 . 1 . 1 93 93 GLU H H 1 8.297 0.000 . 1 . . . . . 94 GLU H . 50175 1 143 . 1 . 1 93 93 GLU N N 15 121.562 0.000 . 1 . . . . . 94 GLU N . 50175 1 144 . 1 . 1 94 94 SER H H 1 7.951 0.000 . 1 . . . . . 95 SER H . 50175 1 145 . 1 . 1 94 94 SER N N 15 117.579 0.000 . 1 . . . . . 95 SER N . 50175 1 146 . 1 . 1 95 95 TYR H H 1 7.185 0.000 . 1 . . . . . 96 TYR H . 50175 1 147 . 1 . 1 95 95 TYR N N 15 124.037 0.000 . 1 . . . . . 96 TYR N . 50175 1 148 . 1 . 1 96 96 ALA H H 1 8.698 0.000 . 1 . . . . . 97 ALA H . 50175 1 149 . 1 . 1 96 96 ALA N N 15 128.047 0.000 . 1 . . . . . 97 ALA N . 50175 1 150 . 1 . 1 97 97 ASN H H 1 8.496 0.000 . 1 . . . . . 98 ASN H . 50175 1 151 . 1 . 1 97 97 ASN N N 15 115.305 0.000 . 1 . . . . . 98 ASN N . 50175 1 152 . 1 . 1 98 98 VAL H H 1 8.032 0.000 . 1 . . . . . 99 VAL H . 50175 1 153 . 1 . 1 98 98 VAL N N 15 125.113 0.000 . 1 . . . . . 99 VAL N . 50175 1 154 . 1 . 1 99 99 LYS H H 1 7.396 0.000 . 1 . . . . . 100 LYS H . 50175 1 155 . 1 . 1 99 99 LYS N N 15 117.199 0.000 . 1 . . . . . 100 LYS N . 50175 1 156 . 1 . 1 100 100 GLN H H 1 7.344 0.000 . 1 . . . . . 101 GLN H . 50175 1 157 . 1 . 1 100 100 GLN N N 15 120.675 0.000 . 1 . . . . . 101 GLN N . 50175 1 158 . 1 . 1 101 101 TRP H H 1 8.022 0.000 . 1 . . . . . 102 TRP H . 50175 1 159 . 1 . 1 101 101 TRP HE1 H 1 11.239 0.000 . 1 . . . . . 102 TRP HE1 . 50175 1 160 . 1 . 1 101 101 TRP N N 15 123.313 0.000 . 1 . . . . . 102 TRP N . 50175 1 161 . 1 . 1 101 101 TRP NE1 N 15 132.944 0.000 . 1 . . . . . 102 TRP NE1 . 50175 1 162 . 1 . 1 102 102 LEU H H 1 8.775 0.000 . 1 . . . . . 103 LEU H . 50175 1 163 . 1 . 1 102 102 LEU N N 15 118.771 0.000 . 1 . . . . . 103 LEU N . 50175 1 164 . 1 . 1 103 103 GLN H H 1 7.520 0.000 . 1 . . . . . 104 GLN H . 50175 1 165 . 1 . 1 103 103 GLN N N 15 120.623 0.000 . 1 . . . . . 104 GLN N . 50175 1 166 . 1 . 1 104 104 GLU H H 1 7.994 0.000 . 1 . . . . . 105 GLU H . 50175 1 167 . 1 . 1 104 104 GLU N N 15 122.531 0.000 . 1 . . . . . 105 GLU N . 50175 1 168 . 1 . 1 105 105 ILE H H 1 8.088 0.000 . 1 . . . . . 106 ILE H . 50175 1 169 . 1 . 1 105 105 ILE N N 15 120.102 0.000 . 1 . . . . . 106 ILE N . 50175 1 170 . 1 . 1 106 106 ASP H H 1 7.769 0.000 . 1 . . . . . 107 ASP H . 50175 1 171 . 1 . 1 106 106 ASP N N 15 119.843 0.000 . 1 . . . . . 107 ASP N . 50175 1 172 . 1 . 1 107 107 ARG H H 1 7.588 0.000 . 1 . . . . . 108 ARG H . 50175 1 173 . 1 . 1 107 107 ARG N N 15 118.582 0.000 . 1 . . . . . 108 ARG N . 50175 1 174 . 1 . 1 108 108 TYR H H 1 7.740 0.000 . 1 . . . . . 109 TYR H . 50175 1 175 . 1 . 1 108 108 TYR N N 15 115.325 0.000 . 1 . . . . . 109 TYR N . 50175 1 176 . 1 . 1 109 109 ALA H H 1 8.827 0.000 . 1 . . . . . 110 ALA H . 50175 1 177 . 1 . 1 109 109 ALA N N 15 122.046 0.000 . 1 . . . . . 110 ALA N . 50175 1 178 . 1 . 1 110 110 SER H H 1 8.843 0.000 . 1 . . . . . 111 SER H . 50175 1 179 . 1 . 1 110 110 SER N N 15 116.260 0.000 . 1 . . . . . 111 SER N . 50175 1 180 . 1 . 1 111 111 GLU H H 1 9.064 0.000 . 1 . . . . . 112 GLU H . 50175 1 181 . 1 . 1 111 111 GLU N N 15 124.774 0.000 . 1 . . . . . 112 GLU N . 50175 1 182 . 1 . 1 112 112 ASN H H 1 8.347 0.000 . 1 . . . . . 113 ASN H . 50175 1 183 . 1 . 1 112 112 ASN N N 15 116.644 0.000 . 1 . . . . . 113 ASN N . 50175 1 184 . 1 . 1 113 113 VAL H H 1 7.049 0.000 . 1 . . . . . 114 VAL H . 50175 1 185 . 1 . 1 113 113 VAL N N 15 120.501 0.000 . 1 . . . . . 114 VAL N . 50175 1 186 . 1 . 1 114 114 ASN H H 1 7.834 0.000 . 1 . . . . . 115 ASN H . 50175 1 187 . 1 . 1 114 114 ASN N N 15 125.641 0.000 . 1 . . . . . 115 ASN N . 50175 1 188 . 1 . 1 115 115 LYS H H 1 8.395 0.000 . 1 . . . . . 116 LYS H . 50175 1 189 . 1 . 1 115 115 LYS N N 15 121.311 0.000 . 1 . . . . . 116 LYS N . 50175 1 190 . 1 . 1 116 116 LEU H H 1 7.737 0.000 . 1 . . . . . 117 LEU H . 50175 1 191 . 1 . 1 116 116 LEU N N 15 121.776 0.000 . 1 . . . . . 117 LEU N . 50175 1 192 . 1 . 1 117 117 LEU H H 1 8.603 0.000 . 1 . . . . . 118 LEU H . 50175 1 193 . 1 . 1 117 117 LEU N N 15 129.271 0.000 . 1 . . . . . 118 LEU N . 50175 1 194 . 1 . 1 118 118 VAL H H 1 9.274 0.000 . 1 . . . . . 119 VAL H . 50175 1 195 . 1 . 1 118 118 VAL N N 15 127.086 0.000 . 1 . . . . . 119 VAL N . 50175 1 196 . 1 . 1 119 119 GLY H H 1 8.192 0.000 . 1 . . . . . 120 GLY H . 50175 1 197 . 1 . 1 119 119 GLY N N 15 113.690 0.000 . 1 . . . . . 120 GLY N . 50175 1 198 . 1 . 1 120 120 ASN H H 1 9.072 0.000 . 1 . . . . . 121 ASN H . 50175 1 199 . 1 . 1 120 120 ASN N N 15 124.490 0.000 . 1 . . . . . 121 ASN N . 50175 1 200 . 1 . 1 121 121 LYS H H 1 7.237 0.000 . 1 . . . . . 122 LYS H . 50175 1 201 . 1 . 1 121 121 LYS N N 15 113.151 0.000 . 1 . . . . . 122 LYS N . 50175 1 202 . 1 . 1 122 122 SER H H 1 8.952 0.000 . 1 . . . . . 123 SER H . 50175 1 203 . 1 . 1 122 122 SER N N 15 115.146 0.000 . 1 . . . . . 123 SER N . 50175 1 204 . 1 . 1 123 123 ASP H H 1 8.508 0.000 . 1 . . . . . 124 ASP H . 50175 1 205 . 1 . 1 123 123 ASP N N 15 117.265 0.000 . 1 . . . . . 124 ASP N . 50175 1 206 . 1 . 1 124 124 LEU H H 1 7.842 0.000 . 1 . . . . . 125 LEU H . 50175 1 207 . 1 . 1 124 124 LEU N N 15 125.713 0.000 . 1 . . . . . 125 LEU N . 50175 1 208 . 1 . 1 125 125 THR H H 1 7.855 0.000 . 1 . . . . . 126 THR H . 50175 1 209 . 1 . 1 125 125 THR N N 15 113.696 0.000 . 1 . . . . . 126 THR N . 50175 1 210 . 1 . 1 127 127 LYS H H 1 7.295 0.000 . 1 . . . . . 128 LYS H . 50175 1 211 . 1 . 1 127 127 LYS N N 15 120.450 0.000 . 1 . . . . . 128 LYS N . 50175 1 212 . 1 . 1 128 128 LYS H H 1 7.027 0.000 . 1 . . . . . 129 LYS H . 50175 1 213 . 1 . 1 128 128 LYS N N 15 122.534 0.000 . 1 . . . . . 129 LYS N . 50175 1 214 . 1 . 1 129 129 VAL H H 1 8.772 0.000 . 1 . . . . . 130 VAL H . 50175 1 215 . 1 . 1 129 129 VAL N N 15 121.100 0.000 . 1 . . . . . 130 VAL N . 50175 1 216 . 1 . 1 130 130 VAL H H 1 7.563 0.000 . 1 . . . . . 131 VAL H . 50175 1 217 . 1 . 1 130 130 VAL N N 15 124.656 0.000 . 1 . . . . . 131 VAL N . 50175 1 218 . 1 . 1 131 131 ASP H H 1 8.608 0.000 . 1 . . . . . 132 ASP H . 50175 1 219 . 1 . 1 131 131 ASP N N 15 130.672 0.000 . 1 . . . . . 132 ASP N . 50175 1 220 . 1 . 1 133 133 THR H H 1 8.409 0.000 . 1 . . . . . 134 THR H . 50175 1 221 . 1 . 1 133 133 THR N N 15 116.870 0.000 . 1 . . . . . 134 THR N . 50175 1 222 . 1 . 1 134 134 THR H H 1 7.387 0.000 . 1 . . . . . 135 THR H . 50175 1 223 . 1 . 1 134 134 THR N N 15 121.390 0.000 . 1 . . . . . 135 THR N . 50175 1 224 . 1 . 1 135 135 ALA H H 1 7.211 0.000 . 1 . . . . . 136 ALA H . 50175 1 225 . 1 . 1 135 135 ALA N N 15 126.376 0.000 . 1 . . . . . 136 ALA N . 50175 1 226 . 1 . 1 136 136 LYS H H 1 8.031 0.000 . 1 . . . . . 137 LYS H . 50175 1 227 . 1 . 1 136 136 LYS N N 15 119.214 0.000 . 1 . . . . . 137 LYS N . 50175 1 228 . 1 . 1 137 137 GLU H H 1 7.865 0.000 . 1 . . . . . 138 GLU H . 50175 1 229 . 1 . 1 137 137 GLU N N 15 119.730 0.000 . 1 . . . . . 138 GLU N . 50175 1 230 . 1 . 1 138 138 PHE H H 1 7.817 0.000 . 1 . . . . . 139 PHE H . 50175 1 231 . 1 . 1 138 138 PHE N N 15 122.896 0.000 . 1 . . . . . 139 PHE N . 50175 1 232 . 1 . 1 139 139 ALA H H 1 8.902 0.000 . 1 . . . . . 140 ALA H . 50175 1 233 . 1 . 1 139 139 ALA N N 15 126.647 0.000 . 1 . . . . . 140 ALA N . 50175 1 234 . 1 . 1 140 140 ASP H H 1 9.360 0.000 . 1 . . . . . 141 ASP H . 50175 1 235 . 1 . 1 140 140 ASP N N 15 119.836 0.000 . 1 . . . . . 141 ASP N . 50175 1 236 . 1 . 1 141 141 SER H H 1 8.020 0.000 . 1 . . . . . 142 SER H . 50175 1 237 . 1 . 1 141 141 SER N N 15 119.383 0.000 . 1 . . . . . 142 SER N . 50175 1 238 . 1 . 1 142 142 LEU H H 1 7.182 0.000 . 1 . . . . . 143 LEU H . 50175 1 239 . 1 . 1 142 142 LEU N N 15 122.799 0.000 . 1 . . . . . 143 LEU N . 50175 1 240 . 1 . 1 143 143 GLY H H 1 8.007 0.000 . 1 . . . . . 144 GLY H . 50175 1 241 . 1 . 1 143 143 GLY N N 15 111.069 0.000 . 1 . . . . . 144 GLY N . 50175 1 242 . 1 . 1 144 144 ILE H H 1 7.845 0.000 . 1 . . . . . 145 ILE H . 50175 1 243 . 1 . 1 144 144 ILE N N 15 117.882 0.000 . 1 . . . . . 145 ILE N . 50175 1 244 . 1 . 1 146 146 PHE H H 1 7.894 0.000 . 1 . . . . . 147 PHE H . 50175 1 245 . 1 . 1 146 146 PHE N N 15 121.236 0.000 . 1 . . . . . 147 PHE N . 50175 1 246 . 1 . 1 147 147 LEU H H 1 8.013 0.000 . 1 . . . . . 148 LEU H . 50175 1 247 . 1 . 1 147 147 LEU N N 15 129.475 0.000 . 1 . . . . . 148 LEU N . 50175 1 248 . 1 . 1 148 148 GLU H H 1 8.004 0.000 . 1 . . . . . 149 GLU H . 50175 1 249 . 1 . 1 148 148 GLU N N 15 118.570 0.000 . 1 . . . . . 149 GLU N . 50175 1 250 . 1 . 1 149 149 THR H H 1 9.286 0.000 . 1 . . . . . 150 THR H . 50175 1 251 . 1 . 1 149 149 THR N N 15 114.856 0.000 . 1 . . . . . 150 THR N . 50175 1 252 . 1 . 1 150 150 SER H H 1 8.201 0.000 . 1 . . . . . 151 SER H . 50175 1 253 . 1 . 1 150 150 SER N N 15 112.597 0.000 . 1 . . . . . 151 SER N . 50175 1 254 . 1 . 1 151 151 ALA H H 1 9.094 0.000 . 1 . . . . . 152 ALA H . 50175 1 255 . 1 . 1 151 151 ALA N N 15 134.586 0.000 . 1 . . . . . 152 ALA N . 50175 1 256 . 1 . 1 152 152 LYS H H 1 7.008 0.000 . 1 . . . . . 153 LYS H . 50175 1 257 . 1 . 1 152 152 LYS N N 15 118.980 0.000 . 1 . . . . . 153 LYS N . 50175 1 258 . 1 . 1 153 153 ASN H H 1 7.920 0.000 . 1 . . . . . 154 ASN H . 50175 1 259 . 1 . 1 153 153 ASN N N 15 115.354 0.000 . 1 . . . . . 154 ASN N . 50175 1 260 . 1 . 1 154 154 ALA H H 1 7.746 0.000 . 1 . . . . . 155 ALA H . 50175 1 261 . 1 . 1 154 154 ALA N N 15 119.979 0.000 . 1 . . . . . 155 ALA N . 50175 1 262 . 1 . 1 155 155 THR H H 1 8.149 0.000 . 1 . . . . . 156 THR H . 50175 1 263 . 1 . 1 155 155 THR N N 15 118.677 0.000 . 1 . . . . . 156 THR N . 50175 1 264 . 1 . 1 156 156 ASN H H 1 9.356 0.000 . 1 . . . . . 157 ASN H . 50175 1 265 . 1 . 1 156 156 ASN N N 15 122.099 0.000 . 1 . . . . . 157 ASN N . 50175 1 266 . 1 . 1 157 157 VAL H H 1 7.623 0.000 . 1 . . . . . 158 VAL H . 50175 1 267 . 1 . 1 157 157 VAL N N 15 123.022 0.000 . 1 . . . . . 158 VAL N . 50175 1 268 . 1 . 1 158 158 GLU H H 1 8.710 0.000 . 1 . . . . . 159 GLU H . 50175 1 269 . 1 . 1 158 158 GLU N N 15 120.692 0.000 . 1 . . . . . 159 GLU N . 50175 1 270 . 1 . 1 159 159 GLN H H 1 8.481 0.000 . 1 . . . . . 160 GLN H . 50175 1 271 . 1 . 1 159 159 GLN N N 15 117.901 0.000 . 1 . . . . . 160 GLN N . 50175 1 272 . 1 . 1 160 160 ALA H H 1 8.163 0.000 . 1 . . . . . 161 ALA H . 50175 1 273 . 1 . 1 160 160 ALA N N 15 125.778 0.000 . 1 . . . . . 161 ALA N . 50175 1 274 . 1 . 1 161 161 PHE H H 1 6.941 0.000 . 1 . . . . . 162 PHE H . 50175 1 275 . 1 . 1 161 161 PHE N N 15 115.184 0.000 . 1 . . . . . 162 PHE N . 50175 1 276 . 1 . 1 162 162 MET H H 1 8.822 0.000 . 1 . . . . . 163 MET H . 50175 1 277 . 1 . 1 162 162 MET N N 15 118.864 0.000 . 1 . . . . . 163 MET N . 50175 1 278 . 1 . 1 163 163 THR H H 1 8.626 0.000 . 1 . . . . . 164 THR H . 50175 1 279 . 1 . 1 163 163 THR N N 15 119.512 0.000 . 1 . . . . . 164 THR N . 50175 1 280 . 1 . 1 164 164 MET H H 1 7.470 0.000 . 1 . . . . . 165 MET H . 50175 1 281 . 1 . 1 164 164 MET N N 15 121.019 0.000 . 1 . . . . . 165 MET N . 50175 1 282 . 1 . 1 165 165 ALA H H 1 8.401 0.000 . 1 . . . . . 166 ALA H . 50175 1 283 . 1 . 1 165 165 ALA N N 15 120.981 0.000 . 1 . . . . . 166 ALA N . 50175 1 284 . 1 . 1 166 166 ALA H H 1 8.428 0.000 . 1 . . . . . 167 ALA H . 50175 1 285 . 1 . 1 166 166 ALA N N 15 120.766 0.000 . 1 . . . . . 167 ALA N . 50175 1 286 . 1 . 1 167 167 GLU H H 1 8.174 0.000 . 1 . . . . . 168 GLU H . 50175 1 287 . 1 . 1 167 167 GLU N N 15 120.493 0.000 . 1 . . . . . 168 GLU N . 50175 1 288 . 1 . 1 168 168 ILE H H 1 7.925 0.000 . 1 . . . . . 169 ILE H . 50175 1 289 . 1 . 1 168 168 ILE N N 15 122.228 0.000 . 1 . . . . . 169 ILE N . 50175 1 290 . 1 . 1 169 169 LYS H H 1 8.247 0.000 . 1 . . . . . 170 LYS H . 50175 1 291 . 1 . 1 169 169 LYS N N 15 120.523 0.000 . 1 . . . . . 170 LYS N . 50175 1 292 . 1 . 1 170 170 LYS H H 1 7.715 0.000 . 1 . . . . . 171 LYS H . 50175 1 293 . 1 . 1 170 170 LYS N N 15 119.126 0.000 . 1 . . . . . 171 LYS N . 50175 1 294 . 1 . 1 171 171 ARG H H 1 7.479 0.000 . 1 . . . . . 172 ARG H . 50175 1 295 . 1 . 1 171 171 ARG N N 15 118.522 0.000 . 1 . . . . . 172 ARG N . 50175 1 296 . 1 . 1 172 172 MET H H 1 8.077 0.000 . 1 . . . . . 173 MET H . 50175 1 297 . 1 . 1 172 172 MET N N 15 119.371 0.000 . 1 . . . . . 173 MET N . 50175 1 298 . 1 . 1 173 173 GLY H H 1 7.912 0.000 . 1 . . . . . 174 GLY H . 50175 1 299 . 1 . 1 173 173 GLY N N 15 115.258 0.000 . 1 . . . . . 174 GLY N . 50175 1 stop_ save_