################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34440 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 _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-1H NOESY' . . . 34440 1 2 '2D 1H-1H TOCSY' . . . 34440 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 1 1 ASP H H 1 8.690 0.007 . . . . . . A 1 ASP H1 . 34440 1 2 . 1 . 1 1 1 ASP HA H 1 4.932 0.001 . . . . . . A 1 ASP HA . 34440 1 3 . 1 . 1 1 1 ASP HB2 H 1 3.026 0.001 . . . . . . A 1 ASP HB2 . 34440 1 4 . 1 . 1 1 1 ASP HB3 H 1 3.026 0.001 . . . . . . A 1 ASP HB3 . 34440 1 5 . 1 . 1 2 2 ALA H H 1 8.430 0.003 . . . . . . A 2 ALA H . 34440 1 6 . 1 . 1 2 2 ALA HA H 1 4.335 0.001 . . . . . . A 2 ALA HA . 34440 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.571 0.001 . . . . . . A 2 ALA HB1 . 34440 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.571 0.001 . . . . . . A 2 ALA HB2 . 34440 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.571 0.001 . . . . . . A 2 ALA HB3 . 34440 1 10 . 1 . 1 3 3 GLU H H 1 8.523 0.001 . . . . . . A 3 GLU H . 34440 1 11 . 1 . 1 3 3 GLU HA H 1 4.281 0.001 . . . . . . A 3 GLU HA . 34440 1 12 . 1 . 1 3 3 GLU HB2 H 1 2.549 0.001 . . . . . . A 3 GLU HB2 . 34440 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.549 0.001 . . . . . . A 3 GLU HB3 . 34440 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.242 0.005 . . . . . . A 3 GLU HG2 . 34440 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.242 0.005 . . . . . . A 3 GLU HG3 . 34440 1 16 . 1 . 1 4 4 PHE H H 1 8.021 0.001 . . . . . . A 4 PHE H . 34440 1 17 . 1 . 1 4 4 PHE HA H 1 4.606 0.001 . . . . . . A 4 PHE HA . 34440 1 18 . 1 . 1 4 4 PHE HB2 H 1 3.341 0.002 . . . . . . A 4 PHE HB2 . 34440 1 19 . 1 . 1 4 4 PHE HB3 H 1 3.341 0.002 . . . . . . A 4 PHE HB3 . 34440 1 20 . 1 . 1 4 4 PHE HD1 H 1 7.371 0.002 . . . . . . A 4 PHE HD1 . 34440 1 21 . 1 . 1 4 4 PHE HD2 H 1 7.371 0.002 . . . . . . A 4 PHE HD2 . 34440 1 22 . 1 . 1 5 5 ARG H H 1 8.142 0.001 . . . . . . A 5 ARG H . 34440 1 23 . 1 . 1 5 5 ARG HA H 1 4.206 0.002 . . . . . . A 5 ARG HA . 34440 1 24 . 1 . 1 5 5 ARG HB2 H 1 2.034 0.007 . . . . . . A 5 ARG HB2 . 34440 1 25 . 1 . 1 5 5 ARG HB3 H 1 2.019 0.009 . . . . . . A 5 ARG HB3 . 34440 1 26 . 1 . 1 5 5 ARG HG2 H 1 1.840 0.002 . . . . . . A 5 ARG HG2 . 34440 1 27 . 1 . 1 5 5 ARG HG3 H 1 1.759 0.003 . . . . . . A 5 ARG HG3 . 34440 1 28 . 1 . 1 5 5 ARG HD2 H 1 3.321 0.001 . . . . . . A 5 ARG HD2 . 34440 1 29 . 1 . 1 5 5 ARG HD3 H 1 3.321 0.001 . . . . . . A 5 ARG HD3 . 34440 1 30 . 1 . 1 5 5 ARG HE H 1 7.433 0.001 . . . . . . A 5 ARG HE . 34440 1 31 . 1 . 1 6 6 HIS H H 1 8.416 0.001 . . . . . . A 6 HIS H . 34440 1 32 . 1 . 1 6 6 HIS HA H 1 4.671 0.001 . . . . . . A 6 HIS HA . 34440 1 33 . 1 . 1 6 6 HIS HB2 H 1 3.498 0.003 . . . . . . A 6 HIS HB2 . 34440 1 34 . 1 . 1 6 6 HIS HB3 H 1 3.444 0.001 . . . . . . A 6 HIS HB3 . 34440 1 35 . 1 . 1 6 6 HIS HD2 H 1 8.571 0.001 . . . . . . A 6 HIS HD2 . 34440 1 36 . 1 . 1 6 6 HIS HE1 H 1 7.416 0.002 . . . . . . A 6 HIS HE1 . 34440 1 37 . 1 . 1 7 7 ASP H H 1 8.687 0.004 . . . . . . A 7 ASP H . 34440 1 38 . 1 . 1 7 7 ASP HA H 1 4.830 0.001 . . . . . . A 7 ASP HA . 34440 1 39 . 1 . 1 7 7 ASP HB2 H 1 3.030 0.002 . . . . . . A 7 ASP HB2 . 34440 1 40 . 1 . 1 7 7 ASP HB3 H 1 3.030 0.002 . . . . . . A 7 ASP HB3 . 34440 1 41 . 1 . 1 8 8 SER H H 1 8.516 0.001 . . . . . . A 8 SER H . 34440 1 42 . 1 . 1 8 8 SER HA H 1 4.422 0.002 . . . . . . A 8 SER HA . 34440 1 43 . 1 . 1 8 8 SER HB2 H 1 4.019 0.000 . . . . . . A 8 SER HB2 . 34440 1 44 . 1 . 1 8 8 SER HB3 H 1 3.936 0.000 . . . . . . A 8 SER HB3 . 34440 1 45 . 1 . 1 9 9 GLY H H 1 8.312 0.002 . . . . . . A 9 GLY H . 34440 1 46 . 1 . 1 9 9 GLY HA2 H 1 4.092 0.002 . . . . . . A 9 GLY HA2 . 34440 1 47 . 1 . 1 9 9 GLY HA3 H 1 4.092 0.002 . . . . . . A 9 GLY HA3 . 34440 1 48 . 1 . 1 10 10 TYR H H 1 8.233 0.001 . . . . . . A 10 TYR H . 34440 1 49 . 1 . 1 10 10 TYR HA H 1 4.420 0.001 . . . . . . A 10 TYR HA . 34440 1 50 . 1 . 1 10 10 TYR HB2 H 1 3.305 0.002 . . . . . . A 10 TYR HB2 . 34440 1 51 . 1 . 1 10 10 TYR HB3 H 1 3.305 0.002 . . . . . . A 10 TYR HB3 . 34440 1 52 . 1 . 1 10 10 TYR HD1 H 1 7.236 0.002 . . . . . . A 10 TYR HD1 . 34440 1 53 . 1 . 1 10 10 TYR HD2 H 1 7.236 0.002 . . . . . . A 10 TYR HD2 . 34440 1 54 . 1 . 1 10 10 TYR HE1 H 1 6.892 0.002 . . . . . . A 10 TYR HE1 . 34440 1 55 . 1 . 1 10 10 TYR HE2 H 1 6.892 0.002 . . . . . . A 10 TYR HE2 . 34440 1 56 . 1 . 1 11 11 GLU H H 1 8.608 0.003 . . . . . . A 11 GLU H . 34440 1 57 . 1 . 1 11 11 GLU HA H 1 4.313 0.002 . . . . . . A 11 GLU HA . 34440 1 58 . 1 . 1 11 11 GLU HB2 H 1 2.413 0.001 . . . . . . A 11 GLU HB2 . 34440 1 59 . 1 . 1 11 11 GLU HB3 H 1 2.392 0.001 . . . . . . A 11 GLU HB3 . 34440 1 60 . 1 . 1 11 11 GLU HG2 H 1 2.415 0.002 . . . . . . A 11 GLU HG2 . 34440 1 61 . 1 . 1 11 11 GLU HG3 H 1 2.393 0.001 . . . . . . A 11 GLU HG3 . 34440 1 62 . 1 . 1 12 12 VAL H H 1 8.460 0.003 . . . . . . A 12 VAL H . 34440 1 63 . 1 . 1 12 12 VAL HA H 1 3.938 0.001 . . . . . . A 12 VAL HA . 34440 1 64 . 1 . 1 12 12 VAL HB H 1 2.251 0.006 . . . . . . A 12 VAL HB . 34440 1 65 . 1 . 1 12 12 VAL HG11 H 1 1.209 0.001 . . . . . . A 12 VAL HG11 . 34440 1 66 . 1 . 1 12 12 VAL HG12 H 1 1.209 0.001 . . . . . . A 12 VAL HG12 . 34440 1 67 . 1 . 1 12 12 VAL HG13 H 1 1.209 0.001 . . . . . . A 12 VAL HG13 . 34440 1 68 . 1 . 1 12 12 VAL HG21 H 1 1.039 0.005 . . . . . . A 12 VAL HG21 . 34440 1 69 . 1 . 1 12 12 VAL HG22 H 1 1.039 0.005 . . . . . . A 12 VAL HG22 . 34440 1 70 . 1 . 1 12 12 VAL HG23 H 1 1.039 0.005 . . . . . . A 12 VAL HG23 . 34440 1 71 . 1 . 1 13 13 HIS H H 1 8.064 0.002 . . . . . . A 13 HIS H . 34440 1 72 . 1 . 1 13 13 HIS HA H 1 4.419 0.004 . . . . . . A 13 HIS HA . 34440 1 73 . 1 . 1 13 13 HIS HB2 H 1 3.398 0.001 . . . . . . A 13 HIS HB2 . 34440 1 74 . 1 . 1 13 13 HIS HB3 H 1 3.398 0.001 . . . . . . A 13 HIS HB3 . 34440 1 75 . 1 . 1 13 13 HIS HD2 H 1 8.503 0.002 . . . . . . A 13 HIS HD2 . 34440 1 76 . 1 . 1 13 13 HIS HE1 H 1 7.384 0.002 . . . . . . A 13 HIS HE1 . 34440 1 77 . 1 . 1 14 14 HIS H H 1 8.530 0.005 . . . . . . A 14 HIS H . 34440 1 78 . 1 . 1 14 14 HIS HA H 1 4.409 0.002 . . . . . . A 14 HIS HA . 34440 1 79 . 1 . 1 14 14 HIS HB2 H 1 3.475 0.003 . . . . . . A 14 HIS HB2 . 34440 1 80 . 1 . 1 14 14 HIS HB3 H 1 3.249 0.004 . . . . . . A 14 HIS HB3 . 34440 1 81 . 1 . 1 14 14 HIS HD2 H 1 8.297 0.001 . . . . . . A 14 HIS HD2 . 34440 1 82 . 1 . 1 14 14 HIS HE1 H 1 7.307 0.001 . . . . . . A 14 HIS HE1 . 34440 1 83 . 1 . 1 15 15 GLN H H 1 8.420 0.003 . . . . . . A 15 GLN H . 34440 1 84 . 1 . 1 15 15 GLN HA H 1 4.102 0.002 . . . . . . A 15 GLN HA . 34440 1 85 . 1 . 1 15 15 GLN HB2 H 1 2.375 0.001 . . . . . . A 15 GLN HB2 . 34440 1 86 . 1 . 1 15 15 GLN HB3 H 1 2.315 0.002 . . . . . . A 15 GLN HB3 . 34440 1 87 . 1 . 1 15 15 GLN HG2 H 1 2.501 0.003 . . . . . . A 15 GLN HG2 . 34440 1 88 . 1 . 1 15 15 GLN HG3 H 1 2.501 0.003 . . . . . . A 15 GLN HG3 . 34440 1 89 . 1 . 1 15 15 GLN HE21 H 1 6.645 0.002 . . . . . . A 15 GLN HE21 . 34440 1 90 . 1 . 1 15 15 GLN HE22 H 1 6.395 0.001 . . . . . . A 15 GLN HE22 . 34440 1 91 . 1 . 1 16 16 LYS H H 1 8.067 0.001 . . . . . . A 16 LYS H . 34440 1 92 . 1 . 1 16 16 LYS HA H 1 4.249 0.001 . . . . . . A 16 LYS HA . 34440 1 93 . 1 . 1 16 16 LYS HB2 H 1 2.117 0.002 . . . . . . A 16 LYS HB2 . 34440 1 94 . 1 . 1 16 16 LYS HB3 H 1 2.080 0.005 . . . . . . A 16 LYS HB3 . 34440 1 95 . 1 . 1 16 16 LYS HG2 H 1 1.660 0.003 . . . . . . A 16 LYS HG2 . 34440 1 96 . 1 . 1 16 16 LYS HG3 H 1 1.660 0.003 . . . . . . A 16 LYS HG3 . 34440 1 97 . 1 . 1 16 16 LYS HD2 H 1 1.830 0.007 . . . . . . A 16 LYS HD2 . 34440 1 98 . 1 . 1 16 16 LYS HD3 H 1 1.830 0.007 . . . . . . A 16 LYS HD3 . 34440 1 99 . 1 . 1 16 16 LYS HE2 H 1 3.091 0.003 . . . . . . A 16 LYS HE2 . 34440 1 100 . 1 . 1 16 16 LYS HE3 H 1 3.091 0.003 . . . . . . A 16 LYS HE3 . 34440 1 101 . 1 . 1 17 17 LEU H H 1 7.750 0.004 . . . . . . A 17 LEU H . 34440 1 102 . 1 . 1 17 17 LEU HA H 1 4.410 0.002 . . . . . . A 17 LEU HA . 34440 1 103 . 1 . 1 17 17 LEU HB2 H 1 1.906 0.002 . . . . . . A 17 LEU HB2 . 34440 1 104 . 1 . 1 17 17 LEU HB3 H 1 1.906 0.002 . . . . . . A 17 LEU HB3 . 34440 1 105 . 1 . 1 17 17 LEU HD11 H 1 1.086 0.002 . . . . . . A 17 LEU HD11 . 34440 1 106 . 1 . 1 17 17 LEU HD12 H 1 1.086 0.002 . . . . . . A 17 LEU HD12 . 34440 1 107 . 1 . 1 17 17 LEU HD13 H 1 1.086 0.002 . . . . . . A 17 LEU HD13 . 34440 1 108 . 1 . 1 17 17 LEU HD21 H 1 1.044 0.003 . . . . . . A 17 LEU HD21 . 34440 1 109 . 1 . 1 17 17 LEU HD22 H 1 1.044 0.003 . . . . . . A 17 LEU HD22 . 34440 1 110 . 1 . 1 17 17 LEU HD23 H 1 1.044 0.003 . . . . . . A 17 LEU HD23 . 34440 1 111 . 1 . 1 18 18 VAL H H 1 7.874 0.004 . . . . . . A 18 VAL H . 34440 1 112 . 1 . 1 18 18 VAL HA H 1 3.803 0.001 . . . . . . A 18 VAL HA . 34440 1 113 . 1 . 1 18 18 VAL HB H 1 2.196 0.001 . . . . . . A 18 VAL HB . 34440 1 114 . 1 . 1 18 18 VAL HG11 H 1 1.032 0.003 . . . . . . A 18 VAL HG11 . 34440 1 115 . 1 . 1 18 18 VAL HG12 H 1 1.032 0.003 . . . . . . A 18 VAL HG12 . 34440 1 116 . 1 . 1 18 18 VAL HG13 H 1 1.032 0.003 . . . . . . A 18 VAL HG13 . 34440 1 117 . 1 . 1 18 18 VAL HG21 H 1 1.032 0.003 . . . . . . A 18 VAL HG21 . 34440 1 118 . 1 . 1 18 18 VAL HG22 H 1 1.032 0.003 . . . . . . A 18 VAL HG22 . 34440 1 119 . 1 . 1 18 18 VAL HG23 H 1 1.032 0.003 . . . . . . A 18 VAL HG23 . 34440 1 120 . 1 . 1 19 19 PHE H H 1 8.162 0.001 . . . . . . A 19 PHE H . 34440 1 121 . 1 . 1 19 19 PHE HA H 1 4.545 0.001 . . . . . . A 19 PHE HA . 34440 1 122 . 1 . 1 19 19 PHE HB2 H 1 3.391 0.002 . . . . . . A 19 PHE HB2 . 34440 1 123 . 1 . 1 19 19 PHE HB3 H 1 3.391 0.002 . . . . . . A 19 PHE HB3 . 34440 1 124 . 1 . 1 19 19 PHE HD1 H 1 7.342 0.004 . . . . . . A 19 PHE HD1 . 34440 1 125 . 1 . 1 19 19 PHE HD2 H 1 7.342 0.004 . . . . . . A 19 PHE HD2 . 34440 1 126 . 1 . 1 20 20 PHE H H 1 8.521 0.001 . . . . . . A 20 PHE H . 34440 1 127 . 1 . 1 20 20 PHE HA H 1 4.486 0.001 . . . . . . A 20 PHE HA . 34440 1 128 . 1 . 1 20 20 PHE HB2 H 1 3.475 0.007 . . . . . . A 20 PHE HB2 . 34440 1 129 . 1 . 1 20 20 PHE HB3 H 1 3.475 0.007 . . . . . . A 20 PHE HB3 . 34440 1 130 . 1 . 1 20 20 PHE HD1 H 1 7.427 0.003 . . . . . . A 20 PHE HD1 . 34440 1 131 . 1 . 1 20 20 PHE HD2 H 1 7.427 0.003 . . . . . . A 20 PHE HD2 . 34440 1 132 . 1 . 1 21 21 ALA H H 1 8.918 0.002 . . . . . . A 21 ALA H . 34440 1 133 . 1 . 1 21 21 ALA HA H 1 4.111 0.003 . . . . . . A 21 ALA HA . 34440 1 134 . 1 . 1 21 21 ALA HB1 H 1 1.704 0.001 . . . . . . A 21 ALA HB1 . 34440 1 135 . 1 . 1 21 21 ALA HB2 H 1 1.704 0.001 . . . . . . A 21 ALA HB2 . 34440 1 136 . 1 . 1 21 21 ALA HB3 H 1 1.704 0.001 . . . . . . A 21 ALA HB3 . 34440 1 137 . 1 . 1 22 22 GLU H H 1 8.554 0.002 . . . . . . A 22 GLU H . 34440 1 138 . 1 . 1 22 22 GLU HA H 1 4.306 0.002 . . . . . . A 22 GLU HA . 34440 1 139 . 1 . 1 22 22 GLU HB2 H 1 2.356 0.007 . . . . . . A 22 GLU HB2 . 34440 1 140 . 1 . 1 22 22 GLU HB3 H 1 2.303 0.002 . . . . . . A 22 GLU HB3 . 34440 1 141 . 1 . 1 22 22 GLU HG2 H 1 2.776 0.004 . . . . . . A 22 GLU HG2 . 34440 1 142 . 1 . 1 22 22 GLU HG3 H 1 2.660 0.003 . . . . . . A 22 GLU HG3 . 34440 1 143 . 1 . 1 23 23 ASP H H 1 8.330 0.002 . . . . . . A 23 ASP H . 34440 1 144 . 1 . 1 23 23 ASP HA H 1 4.701 0.001 . . . . . . A 23 ASP HA . 34440 1 145 . 1 . 1 23 23 ASP HB2 H 1 2.949 0.001 . . . . . . A 23 ASP HB2 . 34440 1 146 . 1 . 1 23 23 ASP HB3 H 1 2.949 0.001 . . . . . . A 23 ASP HB3 . 34440 1 147 . 1 . 1 24 24 VAL H H 1 8.338 0.002 . . . . . . A 24 VAL H . 34440 1 148 . 1 . 1 24 24 VAL HA H 1 3.890 0.002 . . . . . . A 24 VAL HA . 34440 1 149 . 1 . 1 24 24 VAL HB H 1 2.057 0.002 . . . . . . A 24 VAL HB . 34440 1 150 . 1 . 1 24 24 VAL HG11 H 1 0.976 0.003 . . . . . . A 24 VAL HG11 . 34440 1 151 . 1 . 1 24 24 VAL HG12 H 1 0.976 0.003 . . . . . . A 24 VAL HG12 . 34440 1 152 . 1 . 1 24 24 VAL HG13 H 1 0.976 0.003 . . . . . . A 24 VAL HG13 . 34440 1 153 . 1 . 1 24 24 VAL HG21 H 1 0.898 0.002 . . . . . . A 24 VAL HG21 . 34440 1 154 . 1 . 1 24 24 VAL HG22 H 1 0.898 0.002 . . . . . . A 24 VAL HG22 . 34440 1 155 . 1 . 1 24 24 VAL HG23 H 1 0.898 0.002 . . . . . . A 24 VAL HG23 . 34440 1 156 . 1 . 1 25 25 GLY H H 1 8.326 0.003 . . . . . . A 25 GLY H . 34440 1 157 . 1 . 1 25 25 GLY HA2 H 1 4.024 0.001 . . . . . . A 25 GLY HA2 . 34440 1 158 . 1 . 1 25 25 GLY HA3 H 1 4.024 0.001 . . . . . . A 25 GLY HA3 . 34440 1 159 . 1 . 1 26 26 SER H H 1 7.991 0.002 . . . . . . A 26 SER H . 34440 1 160 . 1 . 1 26 26 SER HA H 1 4.573 0.010 . . . . . . A 26 SER HA . 34440 1 161 . 1 . 1 26 26 SER HB2 H 1 4.186 0.009 . . . . . . A 26 SER HB2 . 34440 1 162 . 1 . 1 26 26 SER HB3 H 1 4.155 0.001 . . . . . . A 26 SER HB3 . 34440 1 163 . 1 . 1 27 27 ASN H H 1 8.161 0.001 . . . . . . A 27 ASN H . 34440 1 164 . 1 . 1 27 27 ASN HA H 1 4.959 0.002 . . . . . . A 27 ASN HA . 34440 1 165 . 1 . 1 27 27 ASN HB2 H 1 3.112 0.003 . . . . . . A 27 ASN HB2 . 34440 1 166 . 1 . 1 27 27 ASN HB3 H 1 3.023 0.003 . . . . . . A 27 ASN HB3 . 34440 1 167 . 1 . 1 27 27 ASN HD21 H 1 7.196 0.371 . . . . . . A 27 ASN HD21 . 34440 1 168 . 1 . 1 27 27 ASN HD22 H 1 7.063 0.396 . . . . . . A 27 ASN HD22 . 34440 1 169 . 1 . 1 28 28 LYS H H 1 8.293 0.038 . . . . . . A 28 LYS H . 34440 1 170 . 1 . 1 28 28 LYS HA H 1 4.308 0.002 . . . . . . A 28 LYS HA . 34440 1 171 . 1 . 1 28 28 LYS HB2 H 1 2.101 0.001 . . . . . . A 28 LYS HB2 . 34440 1 172 . 1 . 1 28 28 LYS HB3 H 1 2.056 0.001 . . . . . . A 28 LYS HB3 . 34440 1 173 . 1 . 1 28 28 LYS HG2 H 1 1.705 0.002 . . . . . . A 28 LYS HG2 . 34440 1 174 . 1 . 1 28 28 LYS HG3 H 1 1.667 0.002 . . . . . . A 28 LYS HG3 . 34440 1 175 . 1 . 1 28 28 LYS HD2 H 1 1.877 0.001 . . . . . . A 28 LYS HD2 . 34440 1 176 . 1 . 1 28 28 LYS HD3 H 1 1.877 0.001 . . . . . . A 28 LYS HD3 . 34440 1 177 . 1 . 1 28 28 LYS HE2 H 1 3.180 0.001 . . . . . . A 28 LYS HE2 . 34440 1 178 . 1 . 1 28 28 LYS HE3 H 1 3.180 0.001 . . . . . . A 28 LYS HE3 . 34440 1 179 . 1 . 1 29 29 GLY H H 1 8.379 0.041 . . . . . . A 29 GLY H . 34440 1 180 . 1 . 1 29 29 GLY HA2 H 1 4.027 0.001 . . . . . . A 29 GLY HA2 . 34440 1 181 . 1 . 1 29 29 GLY HA3 H 1 4.027 0.001 . . . . . . A 29 GLY HA3 . 34440 1 182 . 1 . 1 30 30 ALA H H 1 7.835 0.001 . . . . . . A 30 ALA H . 34440 1 183 . 1 . 1 30 30 ALA HA H 1 4.381 0.002 . . . . . . A 30 ALA HA . 34440 1 184 . 1 . 1 30 30 ALA HB1 H 1 1.659 0.001 . . . . . . A 30 ALA HB1 . 34440 1 185 . 1 . 1 30 30 ALA HB2 H 1 1.659 0.001 . . . . . . A 30 ALA HB2 . 34440 1 186 . 1 . 1 30 30 ALA HB3 H 1 1.659 0.001 . . . . . . A 30 ALA HB3 . 34440 1 187 . 1 . 1 31 31 ILE H H 1 7.670 0.002 . . . . . . A 31 ILE H . 34440 1 188 . 1 . 1 31 31 ILE HA H 1 4.094 0.002 . . . . . . A 31 ILE HA . 34440 1 189 . 1 . 1 31 31 ILE HB H 1 2.161 0.002 . . . . . . A 31 ILE HB . 34440 1 190 . 1 . 1 31 31 ILE HG12 H 1 1.784 0.002 . . . . . . A 31 ILE HG12 . 34440 1 191 . 1 . 1 31 31 ILE HG13 H 1 1.459 0.003 . . . . . . A 31 ILE HG13 . 34440 1 192 . 1 . 1 31 31 ILE HG21 H 1 1.145 0.002 . . . . . . A 31 ILE HG21 . 34440 1 193 . 1 . 1 31 31 ILE HG22 H 1 1.145 0.002 . . . . . . A 31 ILE HG22 . 34440 1 194 . 1 . 1 31 31 ILE HG23 H 1 1.145 0.002 . . . . . . A 31 ILE HG23 . 34440 1 195 . 1 . 1 31 31 ILE HD11 H 1 1.058 0.005 . . . . . . A 31 ILE HD11 . 34440 1 196 . 1 . 1 31 31 ILE HD12 H 1 1.058 0.005 . . . . . . A 31 ILE HD12 . 34440 1 197 . 1 . 1 31 31 ILE HD13 H 1 1.058 0.005 . . . . . . A 31 ILE HD13 . 34440 1 198 . 1 . 1 32 32 ILE H H 1 7.915 0.002 . . . . . . A 32 ILE H . 34440 1 199 . 1 . 1 32 32 ILE HA H 1 4.004 0.002 . . . . . . A 32 ILE HA . 34440 1 200 . 1 . 1 32 32 ILE HB H 1 2.079 0.003 . . . . . . A 32 ILE HB . 34440 1 201 . 1 . 1 32 32 ILE HG12 H 1 1.825 0.001 . . . . . . A 32 ILE HG12 . 34440 1 202 . 1 . 1 32 32 ILE HG13 H 1 1.414 0.005 . . . . . . A 32 ILE HG13 . 34440 1 203 . 1 . 1 32 32 ILE HG21 H 1 1.098 0.003 . . . . . . A 32 ILE HG21 . 34440 1 204 . 1 . 1 32 32 ILE HG22 H 1 1.098 0.003 . . . . . . A 32 ILE HG22 . 34440 1 205 . 1 . 1 32 32 ILE HG23 H 1 1.098 0.003 . . . . . . A 32 ILE HG23 . 34440 1 206 . 1 . 1 32 32 ILE HD11 H 1 1.036 0.003 . . . . . . A 32 ILE HD11 . 34440 1 207 . 1 . 1 32 32 ILE HD12 H 1 1.036 0.003 . . . . . . A 32 ILE HD12 . 34440 1 208 . 1 . 1 32 32 ILE HD13 H 1 1.036 0.003 . . . . . . A 32 ILE HD13 . 34440 1 209 . 1 . 1 33 33 GLY H H 1 7.992 0.002 . . . . . . A 33 GLY H . 34440 1 210 . 1 . 1 33 33 GLY HA2 H 1 3.970 0.000 . . . . . . A 33 GLY HA2 . 34440 1 211 . 1 . 1 33 33 GLY HA3 H 1 3.970 0.000 . . . . . . A 33 GLY HA3 . 34440 1 212 . 1 . 1 34 34 LEU H H 1 7.994 0.002 . . . . . . A 34 LEU H . 34440 1 213 . 1 . 1 34 34 LEU HA H 1 4.378 0.002 . . . . . . A 34 LEU HA . 34440 1 214 . 1 . 1 34 34 LEU HB2 H 1 2.133 0.008 . . . . . . A 34 LEU HB2 . 34440 1 215 . 1 . 1 34 34 LEU HB3 H 1 2.133 0.008 . . . . . . A 34 LEU HB3 . 34440 1 216 . 1 . 1 34 34 LEU HG H 1 1.955 0.002 . . . . . . A 34 LEU HG . 34440 1 217 . 1 . 1 34 34 LEU HD11 H 1 1.091 0.001 . . . . . . A 34 LEU HD11 . 34440 1 218 . 1 . 1 34 34 LEU HD12 H 1 1.091 0.001 . . . . . . A 34 LEU HD12 . 34440 1 219 . 1 . 1 34 34 LEU HD13 H 1 1.091 0.001 . . . . . . A 34 LEU HD13 . 34440 1 220 . 1 . 1 34 34 LEU HD21 H 1 1.040 0.001 . . . . . . A 34 LEU HD21 . 34440 1 221 . 1 . 1 34 34 LEU HD22 H 1 1.040 0.001 . . . . . . A 34 LEU HD22 . 34440 1 222 . 1 . 1 34 34 LEU HD23 H 1 1.040 0.001 . . . . . . A 34 LEU HD23 . 34440 1 223 . 1 . 1 35 35 MET H H 1 8.325 0.001 . . . . . . A 35 MET H . 34440 1 224 . 1 . 1 35 35 MET HA H 1 4.478 0.002 . . . . . . A 35 MET HA . 34440 1 225 . 1 . 1 35 35 MET HB2 H 1 2.498 0.003 . . . . . . A 35 MET HB2 . 34440 1 226 . 1 . 1 35 35 MET HB3 H 1 2.320 0.005 . . . . . . A 35 MET HB3 . 34440 1 227 . 1 . 1 35 35 MET HG2 H 1 2.900 0.002 . . . . . . A 35 MET HG2 . 34440 1 228 . 1 . 1 35 35 MET HG3 H 1 2.900 0.002 . . . . . . A 35 MET HG3 . 34440 1 229 . 1 . 1 35 35 MET HE1 H 1 2.742 0.003 . . . . . . A 35 MET HE1 . 34440 1 230 . 1 . 1 35 35 MET HE2 H 1 2.742 0.003 . . . . . . A 35 MET HE2 . 34440 1 231 . 1 . 1 35 35 MET HE3 H 1 2.742 0.003 . . . . . . A 35 MET HE3 . 34440 1 232 . 1 . 1 36 36 VAL H H 1 8.654 0.002 . . . . . . A 36 VAL H . 34440 1 233 . 1 . 1 36 36 VAL HA H 1 4.129 0.003 . . . . . . A 36 VAL HA . 34440 1 234 . 1 . 1 36 36 VAL HB H 1 2.374 0.007 . . . . . . A 36 VAL HB . 34440 1 235 . 1 . 1 36 36 VAL HG11 H 1 1.209 0.002 . . . . . . A 36 VAL HG11 . 34440 1 236 . 1 . 1 36 36 VAL HG12 H 1 1.209 0.002 . . . . . . A 36 VAL HG12 . 34440 1 237 . 1 . 1 36 36 VAL HG13 H 1 1.209 0.002 . . . . . . A 36 VAL HG13 . 34440 1 238 . 1 . 1 36 36 VAL HG21 H 1 1.131 0.002 . . . . . . A 36 VAL HG21 . 34440 1 239 . 1 . 1 36 36 VAL HG22 H 1 1.131 0.002 . . . . . . A 36 VAL HG22 . 34440 1 240 . 1 . 1 36 36 VAL HG23 H 1 1.131 0.002 . . . . . . A 36 VAL HG23 . 34440 1 241 . 1 . 1 37 37 GLY H H 1 8.157 0.002 . . . . . . A 37 GLY H . 34440 1 242 . 1 . 1 37 37 GLY HA2 H 1 4.140 0.000 . . . . . . A 37 GLY HA2 . 34440 1 243 . 1 . 1 37 37 GLY HA3 H 1 4.077 0.000 . . . . . . A 37 GLY HA3 . 34440 1 244 . 1 . 1 38 38 GLY H H 1 8.059 0.001 . . . . . . A 38 GLY H . 34440 1 245 . 1 . 1 38 38 GLY HA2 H 1 4.126 0.001 . . . . . . A 38 GLY HA2 . 34440 1 246 . 1 . 1 38 38 GLY HA3 H 1 4.126 0.001 . . . . . . A 38 GLY HA3 . 34440 1 247 . 1 . 1 39 39 VAL H H 1 7.861 0.001 . . . . . . A 39 VAL H . 34440 1 248 . 1 . 1 39 39 VAL HA H 1 4.198 0.002 . . . . . . A 39 VAL HA . 34440 1 249 . 1 . 1 39 39 VAL HB H 1 2.308 0.002 . . . . . . A 39 VAL HB . 34440 1 250 . 1 . 1 39 39 VAL HG11 H 1 1.142 0.003 . . . . . . A 39 VAL HG11 . 34440 1 251 . 1 . 1 39 39 VAL HG12 H 1 1.142 0.003 . . . . . . A 39 VAL HG12 . 34440 1 252 . 1 . 1 39 39 VAL HG13 H 1 1.142 0.003 . . . . . . A 39 VAL HG13 . 34440 1 253 . 1 . 1 39 39 VAL HG21 H 1 1.083 0.029 . . . . . . A 39 VAL HG21 . 34440 1 254 . 1 . 1 39 39 VAL HG22 H 1 1.083 0.029 . . . . . . A 39 VAL HG22 . 34440 1 255 . 1 . 1 39 39 VAL HG23 H 1 1.083 0.029 . . . . . . A 39 VAL HG23 . 34440 1 256 . 1 . 1 40 40 VAL H H 1 7.762 0.002 . . . . . . A 40 VAL H . 34440 1 257 . 1 . 1 40 40 VAL HA H 1 4.206 0.002 . . . . . . A 40 VAL HA . 34440 1 258 . 1 . 1 40 40 VAL HB H 1 2.259 0.002 . . . . . . A 40 VAL HB . 34440 1 259 . 1 . 1 40 40 VAL HG11 H 1 1.134 0.002 . . . . . . A 40 VAL HG11 . 34440 1 260 . 1 . 1 40 40 VAL HG12 H 1 1.134 0.002 . . . . . . A 40 VAL HG12 . 34440 1 261 . 1 . 1 40 40 VAL HG13 H 1 1.134 0.002 . . . . . . A 40 VAL HG13 . 34440 1 262 . 1 . 1 40 40 VAL HG21 H 1 1.093 0.005 . . . . . . A 40 VAL HG21 . 34440 1 263 . 1 . 1 40 40 VAL HG22 H 1 1.093 0.005 . . . . . . A 40 VAL HG22 . 34440 1 264 . 1 . 1 40 40 VAL HG23 H 1 1.093 0.005 . . . . . . A 40 VAL HG23 . 34440 1 265 . 1 . 1 41 41 ILE H H 1 7.750 0.003 . . . . . . A 41 ILE H . 34440 1 266 . 1 . 1 41 41 ILE HA H 1 4.333 0.001 . . . . . . A 41 ILE HA . 34440 1 267 . 1 . 1 41 41 ILE HB H 1 2.094 0.002 . . . . . . A 41 ILE HB . 34440 1 268 . 1 . 1 41 41 ILE HG12 H 1 1.340 0.002 . . . . . . A 41 ILE HG12 . 34440 1 269 . 1 . 1 41 41 ILE HG13 H 1 1.340 0.002 . . . . . . A 41 ILE HG13 . 34440 1 270 . 1 . 1 41 41 ILE HG21 H 1 1.089 0.003 . . . . . . A 41 ILE HG21 . 34440 1 271 . 1 . 1 41 41 ILE HG22 H 1 1.089 0.003 . . . . . . A 41 ILE HG22 . 34440 1 272 . 1 . 1 41 41 ILE HG23 H 1 1.089 0.003 . . . . . . A 41 ILE HG23 . 34440 1 273 . 1 . 1 41 41 ILE HD11 H 1 1.034 0.002 . . . . . . A 41 ILE HD11 . 34440 1 274 . 1 . 1 41 41 ILE HD12 H 1 1.034 0.002 . . . . . . A 41 ILE HD12 . 34440 1 275 . 1 . 1 41 41 ILE HD13 H 1 1.034 0.002 . . . . . . A 41 ILE HD13 . 34440 1 276 . 1 . 1 42 42 ALA H H 1 7.679 0.001 . . . . . . A 42 ALA H . 34440 1 277 . 1 . 1 42 42 ALA HA H 1 4.441 0.001 . . . . . . A 42 ALA HA . 34440 1 278 . 1 . 1 42 42 ALA HB1 H 1 1.582 0.000 . . . . . . A 42 ALA HB1 . 34440 1 279 . 1 . 1 42 42 ALA HB2 H 1 1.582 0.000 . . . . . . A 42 ALA HB2 . 34440 1 280 . 1 . 1 42 42 ALA HB3 H 1 1.582 0.000 . . . . . . A 42 ALA HB3 . 34440 1 stop_ save_