################################### # 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 25569 _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 0.01 _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' . . . 25569 1 2 '2D 1H-1H TOCSY' . . . 25569 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 25569 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.390 0.001 . 1 . . . A 7 LEU HA . 25569 1 2 . 1 1 1 1 LEU HB2 H 1 1.607 0.001 . 2 . . . A 7 LEU HB2 . 25569 1 3 . 1 1 1 1 LEU HB3 H 1 1.555 0.01 . 2 . . . A 7 LEU HB3 . 25569 1 4 . 1 1 1 1 LEU HG H 1 1.196 0.01 . 1 . . . A 7 LEU HG . 25569 1 5 . 1 1 1 1 LEU HD11 H 1 0.869 0.002 . 2 . . . A 7 LEU HD11 . 25569 1 6 . 1 1 1 1 LEU HD12 H 1 0.869 0.002 . 2 . . . A 7 LEU HD11 . 25569 1 7 . 1 1 1 1 LEU HD13 H 1 0.869 0.002 . 2 . . . A 7 LEU HD11 . 25569 1 8 . 1 1 1 1 LEU HD21 H 1 0.560 0.002 . 2 . . . A 7 LEU HD21 . 25569 1 9 . 1 1 1 1 LEU HD22 H 1 0.560 0.002 . 2 . . . A 7 LEU HD21 . 25569 1 10 . 1 1 1 1 LEU HD23 H 1 0.560 0.002 . 2 . . . A 7 LEU HD21 . 25569 1 11 . 1 1 2 2 PRO HA H 1 4.610 0.01 . 1 . . . A 8 PRO HA . 25569 1 12 . 1 1 2 2 PRO HB2 H 1 2.366 0.001 . 2 . . . A 8 PRO HB2 . 25569 1 13 . 1 1 2 2 PRO HB3 H 1 1.556 0.01 . 2 . . . A 8 PRO HB3 . 25569 1 14 . 1 1 2 2 PRO HG2 H 1 1.399 0.01 . 2 . . . A 8 PRO HG2 . 25569 1 15 . 1 1 2 2 PRO HD2 H 1 3.454 0.01 . 2 . . . A 8 PRO HD2 . 25569 1 16 . 1 1 2 2 PRO HD3 H 1 2.794 0.001 . 2 . . . A 8 PRO HD3 . 25569 1 17 . 1 1 3 3 PRO HA H 1 4.158 0.002 . 1 . . . A 9 PRO HA . 25569 1 18 . 1 1 3 3 PRO HB2 H 1 1.930 0.01 . 2 . . . A 9 PRO HB2 . 25569 1 19 . 1 1 3 3 PRO HB3 H 1 1.828 0.01 . 2 . . . A 9 PRO HB3 . 25569 1 20 . 1 1 3 3 PRO HG2 H 1 1.645 0.01 . 2 . . . A 9 PRO HG2 . 25569 1 21 . 1 1 3 3 PRO HD2 H 1 3.695 0.01 . 2 . . . A 9 PRO HD2 . 25569 1 22 . 1 1 3 3 PRO HD3 H 1 3.420 0.01 . 2 . . . A 9 PRO HD3 . 25569 1 23 . 1 1 4 4 GLY HA2 H 1 3.064 0.01 . 2 . . . A 10 GLY HA2 . 25569 1 24 . 1 1 4 4 GLY HA3 H 1 3.777 0.002 . 2 . . . A 10 GLY HA3 . 25569 1 25 . 1 1 5 5 TRP H H 1 7.151 0.01 . 1 . . . A 11 TRP H . 25569 1 26 . 1 1 5 5 TRP HA H 1 5.095 0.002 . 1 . . . A 11 TRP HA . 25569 1 27 . 1 1 5 5 TRP HB2 H 1 3.041 0.01 . 2 . . . A 11 TRP HB2 . 25569 1 28 . 1 1 5 5 TRP HB3 H 1 2.754 0.01 . 2 . . . A 11 TRP HB3 . 25569 1 29 . 1 1 5 5 TRP HD1 H 1 6.754 0.01 . 1 . . . A 11 TRP HD1 . 25569 1 30 . 1 1 5 5 TRP HE3 H 1 7.189 0.01 . 1 . . . A 11 TRP HE3 . 25569 1 31 . 1 1 5 5 TRP HZ2 H 1 7.213 0.001 . 1 . . . A 11 TRP HZ2 . 25569 1 32 . 1 1 5 5 TRP HZ3 H 1 6.689 0.001 . 1 . . . A 11 TRP HZ3 . 25569 1 33 . 1 1 5 5 TRP HH2 H 1 6.776 0.01 . 1 . . . A 11 TRP HH2 . 25569 1 34 . 1 1 6 6 GLU HA H 1 4.641 0.01 . 1 . . . A 12 GLU HA . 25569 1 35 . 1 1 6 6 GLU HB2 H 1 2.033 0.002 . 2 . . . A 12 GLU HB2 . 25569 1 36 . 1 1 6 6 GLU HB3 H 1 1.996 0.01 . 2 . . . A 12 GLU HB3 . 25569 1 37 . 1 1 6 6 GLU HG2 H 1 2.333 0.01 . 2 . . . A 12 GLU HG2 . 25569 1 38 . 1 1 6 6 GLU HG3 H 1 2.293 0.01 . 2 . . . A 12 GLU HG3 . 25569 1 39 . 1 1 7 7 LYS HA H 1 4.318 0.01 . 1 . . . A 13 LYS HA . 25569 1 40 . 1 1 7 7 LYS HB2 H 1 1.479 0.01 . 2 . . . A 13 LYS HB2 . 25569 1 41 . 1 1 7 7 LYS HB3 H 1 1.412 0.001 . 2 . . . A 13 LYS HB3 . 25569 1 42 . 1 1 7 7 LYS HG2 H 1 0.864 0.001 . 2 . . . A 13 LYS HG2 . 25569 1 43 . 1 1 7 7 LYS HD2 H 1 1.009 0.001 . 2 . . . A 13 LYS HD2 . 25569 1 44 . 1 1 7 7 LYS HE2 H 1 2.737 0.001 . 2 . . . A 13 LYS HE2 . 25569 1 45 . 1 1 8 8 ARG HA H 1 4.104 0.01 . 1 . . . A 14 ARG HA . 25569 1 46 . 1 1 8 8 ARG HB2 H 1 1.141 0.001 . 2 . . . A 14 ARG HB2 . 25569 1 47 . 1 1 8 8 ARG HB3 H 1 1.008 0.001 . 2 . . . A 14 ARG HB3 . 25569 1 48 . 1 1 8 8 ARG HG2 H 1 -0.154 0.01 . 2 . . . A 14 ARG HG2 . 25569 1 49 . 1 1 8 8 ARG HG3 H 1 -0.178 0.004 . 2 . . . A 14 ARG HG3 . 25569 1 50 . 1 1 8 8 ARG HD2 H 1 2.612 0.01 . 2 . . . A 14 ARG HD2 . 25569 1 51 . 1 1 8 8 ARG HD3 H 1 2.473 0.01 . 2 . . . A 14 ARG HD3 . 25569 1 52 . 1 1 8 8 ARG HE H 1 6.657 0.01 . 1 . . . A 14 ARG HE . 25569 1 53 . 1 1 8 8 ARG HH21 H 1 6.213 0.004 . 2 . . . A 14 ARG HH21 . 25569 1 54 . 1 1 9 9 MET HA H 1 4.674 0.01 . 1 . . . A 15 MET HA . 25569 1 55 . 1 1 9 9 MET HB2 H 1 1.518 0.162 . 2 . . . A 15 MET HB2 . 25569 1 56 . 1 1 9 9 MET HB3 H 1 0.986 0.01 . 2 . . . A 15 MET HB3 . 25569 1 57 . 1 1 9 9 MET HG2 H 1 2.224 0.01 . 2 . . . A 15 MET HG2 . 25569 1 58 . 1 1 9 9 MET HG3 H 1 1.749 0.01 . 2 . . . A 15 MET HG3 . 25569 1 59 . 1 1 10 10 SER HA H 1 4.856 0.002 . 1 . . . A 16 SER HA . 25569 1 60 . 1 1 10 10 SER HB2 H 1 4.133 0.003 . 2 . . . A 16 SER HB2 . 25569 1 61 . 1 1 10 10 SER HB3 H 1 4.123 0.01 . 2 . . . A 16 SER HB3 . 25569 1 62 . 1 1 11 11 ARG HA H 1 4.002 0.01 . 1 . . . A 17 ARG HA . 25569 1 63 . 1 1 11 11 ARG HB2 H 1 1.758 0.002 . 2 . . . A 17 ARG HB2 . 25569 1 64 . 1 1 11 11 ARG HB3 H 1 1.721 0.001 . 2 . . . A 17 ARG HB3 . 25569 1 65 . 1 1 11 11 ARG HG2 H 1 1.617 0.01 . 2 . . . A 17 ARG HG2 . 25569 1 66 . 1 1 11 11 ARG HD2 H 1 3.063 0.01 . 2 . . . A 17 ARG HD2 . 25569 1 67 . 1 1 11 11 ARG HD3 H 1 2.941 0.004 . 2 . . . A 17 ARG HD3 . 25569 1 68 . 1 1 12 12 SER HA H 1 4.526 0.01 . 1 . . . A 18 SER HA . 25569 1 69 . 1 1 12 12 SER HB2 H 1 3.734 0.01 . 2 . . . A 18 SER HB2 . 25569 1 70 . 1 1 12 12 SER HB3 H 1 3.610 0.01 . 2 . . . A 18 SER HB3 . 25569 1 71 . 1 1 13 13 SER HA H 1 4.163 0.002 . 1 . . . A 19 SER HA . 25569 1 72 . 1 1 13 13 SER HB2 H 1 3.697 0.001 . 2 . . . A 19 SER HB2 . 25569 1 73 . 1 1 13 13 SER HB3 H 1 3.675 0.002 . 2 . . . A 19 SER HB3 . 25569 1 74 . 1 1 14 14 GLY HA2 H 1 3.734 0.01 . 2 . . . A 20 GLY HA2 . 25569 1 75 . 1 1 14 14 GLY HA3 H 1 3.900 0.002 . 2 . . . A 20 GLY HA3 . 25569 1 76 . 1 1 15 15 ARG HA H 1 4.229 0.01 . 1 . . . A 21 ARG HA . 25569 1 77 . 1 1 15 15 ARG HB2 H 1 1.509 0.01 . 2 . . . A 21 ARG HB2 . 25569 1 78 . 1 1 15 15 ARG HB3 H 1 1.351 0.01 . 2 . . . A 21 ARG HB3 . 25569 1 79 . 1 1 15 15 ARG HG2 H 1 1.686 0.01 . 2 . . . A 21 ARG HG2 . 25569 1 80 . 1 1 15 15 ARG HD2 H 1 2.422 0.01 . 2 . . . A 21 ARG HD2 . 25569 1 81 . 1 1 15 15 ARG HD3 H 1 2.214 0.01 . 2 . . . A 21 ARG HD3 . 25569 1 82 . 1 1 15 15 ARG HE H 1 6.731 0.01 . 1 . . . A 21 ARG HE . 25569 1 83 . 1 1 15 15 ARG HH22 H 1 6.899 0.01 . 2 . . . A 21 ARG HH22 . 25569 1 84 . 1 1 16 16 VAL HA H 1 4.461 0.01 . 1 . . . A 22 VAL HA . 25569 1 85 . 1 1 16 16 VAL HB H 1 1.765 0.001 . 1 . . . A 22 VAL HB . 25569 1 86 . 1 1 16 16 VAL HG11 H 1 0.804 0.01 . 2 . . . A 22 VAL HG11 . 25569 1 87 . 1 1 16 16 VAL HG12 H 1 0.804 0.01 . 2 . . . A 22 VAL HG11 . 25569 1 88 . 1 1 16 16 VAL HG13 H 1 0.804 0.01 . 2 . . . A 22 VAL HG11 . 25569 1 89 . 1 1 16 16 VAL HG21 H 1 0.590 0.001 . 2 . . . A 22 VAL HG21 . 25569 1 90 . 1 1 16 16 VAL HG22 H 1 0.590 0.001 . 2 . . . A 22 VAL HG21 . 25569 1 91 . 1 1 16 16 VAL HG23 H 1 0.590 0.001 . 2 . . . A 22 VAL HG21 . 25569 1 92 . 1 1 17 17 TYR HA H 1 4.661 0.003 . 1 . . . A 23 TYR HA . 25569 1 93 . 1 1 17 17 TYR HB2 H 1 2.613 0.001 . 2 . . . A 23 TYR HB2 . 25569 1 94 . 1 1 17 17 TYR HB3 H 1 2.270 0.002 . 2 . . . A 23 TYR HB3 . 25569 1 95 . 1 1 17 17 TYR HD1 H 1 6.608 0.01 . 3 . . . A 23 TYR HD1 . 25569 1 96 . 1 1 17 17 TYR HE1 H 1 6.204 0.01 . 3 . . . A 23 TYR HE1 . 25569 1 97 . 1 1 18 18 TYR HA H 1 5.082 0.001 . 1 . . . A 24 TYR HA . 25569 1 98 . 1 1 18 18 TYR HB2 H 1 2.744 0.01 . 2 . . . A 24 TYR HB2 . 25569 1 99 . 1 1 18 18 TYR HB3 H 1 2.465 0.003 . 2 . . . A 24 TYR HB3 . 25569 1 100 . 1 1 18 18 TYR HD2 H 1 6.637 0.01 . 3 . . . A 24 TYR HD2 . 25569 1 101 . 1 1 18 18 TYR HE2 H 1 6.552 0.01 . 3 . . . A 24 TYR HE2 . 25569 1 102 . 1 1 19 19 PHE HA H 1 5.386 0.001 . 1 . . . A 25 PHE HA . 25569 1 103 . 1 1 19 19 PHE HB2 H 1 2.700 0.001 . 2 . . . A 25 PHE HB2 . 25569 1 104 . 1 1 19 19 PHE HB3 H 1 2.360 0.01 . 2 . . . A 25 PHE HB3 . 25569 1 105 . 1 1 19 19 PHE HD1 H 1 6.683 0.01 . 3 . . . A 25 PHE HD1 . 25569 1 106 . 1 1 19 19 PHE HE1 H 1 6.750 0.01 . 3 . . . A 25 PHE HE1 . 25569 1 107 . 1 1 19 19 PHE HZ H 1 7.069 0.01 . 1 . . . A 25 PHE HZ . 25569 1 108 . 1 1 20 20 ASN H H 1 7.910 0.01 . 1 . . . A 26 ASN H . 25569 1 109 . 1 1 20 20 ASN HA H 1 4.167 0.002 . 1 . . . A 26 ASN HA . 25569 1 110 . 1 1 20 20 ASN HB2 H 1 1.758 0.005 . 2 . . . A 26 ASN HB2 . 25569 1 111 . 1 1 20 20 ASN HB3 H 1 -0.919 0.001 . 2 . . . A 26 ASN HB3 . 25569 1 112 . 1 1 20 20 ASN HD22 H 1 3.944 0.01 . 2 . . . A 26 ASN HD22 . 25569 1 113 . 1 1 21 21 HIS HA H 1 3.854 0.001 . 1 . . . A 27 HIS HA . 25569 1 114 . 1 1 21 21 HIS HB2 H 1 3.049 0.001 . 2 . . . A 27 HIS HB2 . 25569 1 115 . 1 1 21 21 HIS HB3 H 1 2.799 0.01 . 2 . . . A 27 HIS HB3 . 25569 1 116 . 1 1 21 21 HIS HD2 H 1 6.742 0.002 . 1 . . . A 27 HIS HD2 . 25569 1 117 . 1 1 21 21 HIS HE1 H 1 7.612 0.002 . 1 . . . A 27 HIS HE1 . 25569 1 118 . 1 1 22 22 ILE HA H 1 3.603 0.01 . 1 . . . A 28 ILE HA . 25569 1 119 . 1 1 22 22 ILE HB H 1 1.778 0.01 . 1 . . . A 28 ILE HB . 25569 1 120 . 1 1 22 22 ILE HG12 H 1 1.063 0.01 . 2 . . . A 28 ILE HG12 . 25569 1 121 . 1 1 22 22 ILE HG13 H 1 0.760 0.01 . 2 . . . A 28 ILE HG13 . 25569 1 122 . 1 1 22 22 ILE HG21 H 1 0.503 0.001 . 1 . . . A 28 ILE HG21 . 25569 1 123 . 1 1 22 22 ILE HG22 H 1 0.503 0.001 . 1 . . . A 28 ILE HG21 . 25569 1 124 . 1 1 22 22 ILE HG23 H 1 0.503 0.001 . 1 . . . A 28 ILE HG21 . 25569 1 125 . 1 1 22 22 ILE HD11 H 1 0.543 0.01 . 1 . . . A 28 ILE HD11 . 25569 1 126 . 1 1 22 22 ILE HD12 H 1 0.543 0.01 . 1 . . . A 28 ILE HD11 . 25569 1 127 . 1 1 22 22 ILE HD13 H 1 0.543 0.01 . 1 . . . A 28 ILE HD11 . 25569 1 128 . 1 1 23 23 THR H H 1 7.179 0.01 . 1 . . . A 29 THR H . 25569 1 129 . 1 1 23 23 THR HA H 1 3.859 0.001 . 1 . . . A 29 THR HA . 25569 1 130 . 1 1 23 23 THR HB H 1 3.998 0.001 . 1 . . . A 29 THR HB . 25569 1 131 . 1 1 23 23 THR HG1 H 1 1.287 0.01 . 1 . . . A 29 THR HG1 . 25569 1 132 . 1 1 23 23 THR HG21 H 1 0.702 0.002 . 1 . . . A 29 THR HG21 . 25569 1 133 . 1 1 23 23 THR HG22 H 1 0.702 0.002 . 1 . . . A 29 THR HG21 . 25569 1 134 . 1 1 23 23 THR HG23 H 1 0.702 0.002 . 1 . . . A 29 THR HG21 . 25569 1 135 . 1 1 24 24 ASN HA H 1 3.910 0.01 . 1 . . . A 30 ASN HA . 25569 1 136 . 1 1 24 24 ASN HB2 H 1 2.862 0.01 . 2 . . . A 30 ASN HB2 . 25569 1 137 . 1 1 24 24 ASN HB3 H 1 2.695 0.01 . 2 . . . A 30 ASN HB3 . 25569 1 138 . 1 1 24 24 ASN HD21 H 1 7.224 0.01 . 2 . . . A 30 ASN HD21 . 25569 1 139 . 1 1 24 24 ASN HD22 H 1 6.618 0.001 . 2 . . . A 30 ASN HD22 . 25569 1 140 . 1 1 25 25 ALA HA H 1 4.181 0.001 . 1 . . . A 31 ALA HA . 25569 1 141 . 1 1 25 25 ALA HB1 H 1 1.005 0.002 . 1 . . . A 31 ALA HB1 . 25569 1 142 . 1 1 25 25 ALA HB2 H 1 1.005 0.002 . 1 . . . A 31 ALA HB1 . 25569 1 143 . 1 1 25 25 ALA HB3 H 1 1.005 0.002 . 1 . . . A 31 ALA HB1 . 25569 1 144 . 1 1 26 26 SER H H 1 8.063 0.01 . 1 . . . A 32 SER H . 25569 1 145 . 1 1 26 26 SER HA H 1 5.762 0.001 . 1 . . . A 32 SER HA . 25569 1 146 . 1 1 26 26 SER HB2 H 1 3.708 0.01 . 2 . . . A 32 SER HB2 . 25569 1 147 . 1 1 26 26 SER HB3 H 1 3.568 0.01 . 2 . . . A 32 SER HB3 . 25569 1 148 . 1 1 27 27 GLN HA H 1 4.667 0.01 . 1 . . . A 33 GLN HA . 25569 1 149 . 1 1 27 27 GLN HB2 H 1 2.037 0.002 . 2 . . . A 33 GLN HB2 . 25569 1 150 . 1 1 27 27 GLN HG2 H 1 2.501 0.01 . 2 . . . A 33 GLN HG2 . 25569 1 151 . 1 1 27 27 GLN HG3 H 1 2.753 0.946 . 2 . . . A 33 GLN HG3 . 25569 1 152 . 1 1 28 28 TRP HA H 1 4.664 0.01 . 1 . . . A 34 TRP HA . 25569 1 153 . 1 1 28 28 TRP HB2 H 1 3.375 0.001 . 2 . . . A 34 TRP HB2 . 25569 1 154 . 1 1 28 28 TRP HB3 H 1 2.964 0.01 . 2 . . . A 34 TRP HB3 . 25569 1 155 . 1 1 28 28 TRP HD1 H 1 7.242 0.01 . 1 . . . A 34 TRP HD1 . 25569 1 156 . 1 1 28 28 TRP HE3 H 1 8.010 0.01 . 1 . . . A 34 TRP HE3 . 25569 1 157 . 1 1 28 28 TRP HZ2 H 1 7.099 0.01 . 1 . . . A 34 TRP HZ2 . 25569 1 158 . 1 1 28 28 TRP HZ3 H 1 6.726 0.001 . 1 . . . A 34 TRP HZ3 . 25569 1 159 . 1 1 28 28 TRP HH2 H 1 6.901 0.01 . 1 . . . A 34 TRP HH2 . 25569 1 160 . 1 1 29 29 GLU HA H 1 4.125 0.01 . 1 . . . A 35 GLU HA . 25569 1 161 . 1 1 29 29 GLU HB2 H 1 1.684 0.01 . 2 . . . A 35 GLU HB2 . 25569 1 162 . 1 1 29 29 GLU HB3 H 1 1.602 0.01 . 2 . . . A 35 GLU HB3 . 25569 1 163 . 1 1 29 29 GLU HG2 H 1 2.123 0.01 . 2 . . . A 35 GLU HG2 . 25569 1 164 . 1 1 29 29 GLU HG3 H 1 2.053 0.01 . 2 . . . A 35 GLU HG3 . 25569 1 165 . 1 1 30 30 ARG HA H 1 2.466 0.01 . 1 . . . A 36 ARG HA . 25569 1 166 . 1 1 30 30 ARG HB2 H 1 1.136 0.001 . 2 . . . A 36 ARG HB2 . 25569 1 167 . 1 1 30 30 ARG HB3 H 1 0.965 0.01 . 2 . . . A 36 ARG HB3 . 25569 1 168 . 1 1 30 30 ARG HG2 H 1 0.671 0.01 . 2 . . . A 36 ARG HG2 . 25569 1 169 . 1 1 30 30 ARG HG3 H 1 0.553 0.01 . 2 . . . A 36 ARG HG3 . 25569 1 170 . 1 1 30 30 ARG HD2 H 1 2.770 0.01 . 2 . . . A 36 ARG HD2 . 25569 1 171 . 1 1 30 30 ARG HE H 1 7.058 0.01 . 1 . . . A 36 ARG HE . 25569 1 172 . 1 1 31 31 PRO HA H 1 3.666 0.01 . 1 . . . A 37 PRO HA . 25569 1 173 . 1 1 31 31 PRO HB2 H 1 0.565 0.01 . 2 . . . A 37 PRO HB2 . 25569 1 174 . 1 1 31 31 PRO HB3 H 1 0.467 0.01 . 2 . . . A 37 PRO HB3 . 25569 1 175 . 1 1 31 31 PRO HG2 H 1 0.313 0.01 . 2 . . . A 37 PRO HG2 . 25569 1 176 . 1 1 31 31 PRO HG3 H 1 -0.323 0.01 . 2 . . . A 37 PRO HG3 . 25569 1 177 . 1 1 31 31 PRO HD2 H 1 2.264 0.01 . 2 . . . A 37 PRO HD2 . 25569 1 178 . 1 1 31 31 PRO HD3 H 1 2.051 0.001 . 2 . . . A 37 PRO HD3 . 25569 1 179 . 1 1 32 32 SER HA H 1 4.098 0.01 . 1 . . . A 38 SER HA . 25569 1 180 . 1 1 32 32 SER HB2 H 1 3.575 0.01 . 2 . . . A 38 SER HB2 . 25569 1 181 . 1 1 32 32 SER HB3 H 1 3.473 0.011 . 2 . . . A 38 SER HB3 . 25569 1 182 . 2 2 1 1 ARG HA H 1 4.220 0.003 . 1 . . . . 208 ARG HA . 25569 1 183 . 2 2 1 1 ARG HB2 H 1 1.866 0.003 . 2 . . . . 208 ARG HB2 . 25569 1 184 . 2 2 1 1 ARG HB3 H 1 1.809 0.001 . 2 . . . . 208 ARG HB3 . 25569 1 185 . 2 2 1 1 ARG HG2 H 1 1.720 0.001 . 2 . . . . 208 ARG HG2 . 25569 1 186 . 2 2 1 1 ARG HD2 H 1 2.404 0.001 . 2 . . . . 208 ARG HD2 . 25569 1 187 . 2 2 1 1 ARG HD3 H 1 2.336 0.001 . 2 . . . . 208 ARG HD3 . 25569 1 188 . 2 2 2 2 ILE HA H 1 4.010 0.01 . 1 . . . . 209 ILE HA . 25569 1 189 . 2 2 2 2 ILE HB H 1 1.597 0.002 . 1 . . . . 209 ILE HB . 25569 1 190 . 2 2 2 2 ILE HG12 H 1 1.227 0.01 . 2 . . . . 209 ILE HG12 . 25569 1 191 . 2 2 2 2 ILE HG13 H 1 0.925 0.01 . 2 . . . . 209 ILE HG13 . 25569 1 192 . 2 2 2 2 ILE HG21 H 1 0.646 0.01 . 1 . . . . 209 ILE HG22 . 25569 1 193 . 2 2 2 2 ILE HG22 H 1 0.646 0.01 . 1 . . . . 209 ILE HG22 . 25569 1 194 . 2 2 2 2 ILE HG23 H 1 0.646 0.01 . 1 . . . . 209 ILE HG22 . 25569 1 195 . 2 2 2 2 ILE HD11 H 1 0.594 0.01 . 1 . . . . 209 ILE HD12 . 25569 1 196 . 2 2 2 2 ILE HD12 H 1 0.594 0.01 . 1 . . . . 209 ILE HD12 . 25569 1 197 . 2 2 2 2 ILE HD13 H 1 0.594 0.01 . 1 . . . . 209 ILE HD12 . 25569 1 198 . 2 2 3 3 SEP HA H 1 4.344 0.001 . 1 . . . . 210 SEP HA . 25569 1 199 . 2 2 3 3 SEP HB2 H 1 3.742 0.002 . 2 . . . . 210 SEP HB2 . 25569 1 200 . 2 2 3 3 SEP HB3 H 1 3.627 0.003 . 2 . . . . 210 SEP HB3 . 25569 1 201 . 2 2 4 4 PRO HA H 1 4.419 0.001 . 1 . . . . 211 PRO HA . 25569 1 202 . 2 2 4 4 PRO HB2 H 1 2.063 0.01 . 2 . . . . 211 PRO HB2 . 25569 1 203 . 2 2 4 4 PRO HB3 H 1 1.643 0.002 . 2 . . . . 211 PRO HB3 . 25569 1 204 . 2 2 4 4 PRO HG2 H 1 1.557 0.001 . 2 . . . . 211 PRO HG2 . 25569 1 205 . 2 2 4 4 PRO HG3 H 1 1.734 0.002 . 2 . . . . 211 PRO HG3 . 25569 1 206 . 2 2 4 4 PRO HD2 H 1 3.581 0.001 . 2 . . . . 211 PRO HD2 . 25569 1 207 . 2 2 4 4 PRO HD3 H 1 3.382 0.001 . 2 . . . . 211 PRO HD3 . 25569 1 208 . 2 2 5 5 PRO HA H 1 4.193 0.001 . 1 . . . . 212 PRO HA . 25569 1 209 . 2 2 5 5 PRO HB2 H 1 2.063 0.01 . 2 . . . . 212 PRO HB2 . 25569 1 210 . 2 2 5 5 PRO HB3 H 1 1.776 0.001 . 2 . . . . 212 PRO HB3 . 25569 1 211 . 2 2 5 5 PRO HG2 H 1 1.785 0.01 . 2 . . . . 212 PRO HG2 . 25569 1 212 . 2 2 5 5 PRO HG3 H 1 1.577 0.01 . 2 . . . . 212 PRO HG3 . 25569 1 213 . 2 2 5 5 PRO HD2 H 1 3.577 0.01 . 2 . . . . 212 PRO HD2 . 25569 1 214 . 2 2 5 5 PRO HD3 H 1 3.386 0.005 . 2 . . . . 212 PRO HD3 . 25569 1 215 . 2 2 6 6 LEU HA H 1 4.335 0.001 . 1 . . . . 213 LEU HA . 25569 1 216 . 2 2 6 6 LEU HB2 H 1 1.486 0.012 . 2 . . . . 213 LEU HB2 . 25569 1 217 . 2 2 6 6 LEU HB3 H 1 1.344 0.005 . 2 . . . . 213 LEU HB3 . 25569 1 218 . 2 2 6 6 LEU HG H 1 1.260 0.003 . 1 . . . . 213 LEU HG . 25569 1 219 . 2 2 6 6 LEU HD11 H 1 0.696 0.007 . 2 . . . . 213 LEU HD12 . 25569 1 220 . 2 2 6 6 LEU HD12 H 1 0.696 0.007 . 2 . . . . 213 LEU HD12 . 25569 1 221 . 2 2 6 6 LEU HD13 H 1 0.696 0.007 . 2 . . . . 213 LEU HD12 . 25569 1 222 . 2 2 6 6 LEU HD21 H 1 0.674 0.01 . 2 . . . . 213 LEU HD22 . 25569 1 223 . 2 2 6 6 LEU HD22 H 1 0.674 0.01 . 2 . . . . 213 LEU HD22 . 25569 1 224 . 2 2 6 6 LEU HD23 H 1 0.674 0.01 . 2 . . . . 213 LEU HD22 . 25569 1 225 . 2 2 7 7 PRO HA H 1 4.113 0.01 . 1 . . . . 214 PRO HA . 25569 1 226 . 2 2 7 7 PRO HB2 H 1 1.971 0.001 . 2 . . . . 214 PRO HB2 . 25569 1 227 . 2 2 7 7 PRO HG2 H 1 1.748 0.001 . 2 . . . . 214 PRO HG2 . 25569 1 228 . 2 2 7 7 PRO HG3 H 1 1.541 0.002 . 2 . . . . 214 PRO HG3 . 25569 1 229 . 2 2 7 7 PRO HD2 H 1 3.581 0.001 . 2 . . . . 214 PRO HD2 . 25569 1 230 . 2 2 7 7 PRO HD3 H 1 3.384 0.001 . 2 . . . . 214 PRO HD3 . 25569 1 231 . 2 2 8 8 PHE HA H 1 4.268 0.003 . 1 . . . . 215 PHE HA . 25569 1 232 . 2 2 8 8 PHE HB2 H 1 2.909 0.01 . 2 . . . . 215 PHE HB2 . 25569 1 233 . 2 2 8 8 PHE HB3 H 1 2.869 0.01 . 2 . . . . 215 PHE HB3 . 25569 1 234 . 2 2 8 8 PHE HD2 H 1 7.037 0.001 . 3 . . . . 215 PHE HD2 . 25569 1 235 . 2 2 8 8 PHE HE2 H 1 7.145 0.01 . 3 . . . . 215 PHE HE2 . 25569 1 stop_ save_