################################### # 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_Pin1_WW_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Pin1_WW_shifts _Assigned_chem_shift_list.Entry_ID 5248 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Only_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 DQF-COSY 1 $sample_1 . 5248 1 2 NOESY 1 $sample_1 . 5248 1 3 TOCSY 1 $sample_1 . 5248 1 4 D2O-NOESY 1 $sample_1 . 5248 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 7 7 LEU H H 1 8.811 0.060 . . . . . . . . . . 5248 1 2 . 1 1 7 7 LEU HA H 1 4.574 0.043 . . . . . . . . . . 5248 1 3 . 1 1 7 7 LEU HG H 1 1.452 0.010 . . . . . . . . . . 5248 1 4 . 1 1 7 7 LEU HD11 H 1 0.825 0.004 . 1 . . . . . . . . 5248 1 5 . 1 1 7 7 LEU HD12 H 1 0.825 0.004 . 1 . . . . . . . . 5248 1 6 . 1 1 7 7 LEU HD13 H 1 0.825 0.004 . 1 . . . . . . . . 5248 1 7 . 1 1 7 7 LEU HD21 H 1 1.110 0.005 . 1 . . . . . . . . 5248 1 8 . 1 1 7 7 LEU HD22 H 1 1.110 0.005 . 1 . . . . . . . . 5248 1 9 . 1 1 7 7 LEU HD23 H 1 1.110 0.005 . 1 . . . . . . . . 5248 1 10 . 1 1 8 8 PRO HA H 1 4.891 0.006 . . . . . . . . . . 5248 1 11 . 1 1 8 8 PRO HB2 H 1 2.039 0.006 . . . . . . . . . . 5248 1 12 . 1 1 8 8 PRO HB3 H 1 2.647 0.003 . . . . . . . . . . 5248 1 13 . 1 1 8 8 PRO HG2 H 1 1.682 0.006 . . . . . . . . . . 5248 1 14 . 1 1 8 8 PRO HG3 H 1 1.818 0.004 . . . . . . . . . . 5248 1 15 . 1 1 8 8 PRO HD2 H 1 3.057 0.012 . . . . . . . . . . 5248 1 16 . 1 1 8 8 PRO HD3 H 1 3.726 0.014 . . . . . . . . . . 5248 1 17 . 1 1 9 9 PRO HA H 1 4.392 0.007 . . . . . . . . . . 5248 1 18 . 1 1 9 9 PRO HB2 H 1 1.901 0.005 . . . . . . . . . . 5248 1 19 . 1 1 9 9 PRO HB3 H 1 2.370 0.006 . . . . . . . . . . 5248 1 20 . 1 1 9 9 PRO HG2 H 1 2.090 0.010 . . . . . . . . . . 5248 1 21 . 1 1 9 9 PRO HG3 H 1 2.192 0.008 . . . . . . . . . . 5248 1 22 . 1 1 9 9 PRO HD2 H 1 3.676 0.010 . . . . . . . . . . 5248 1 23 . 1 1 9 9 PRO HD3 H 1 3.962 0.005 . . . . . . . . . . 5248 1 24 . 1 1 10 10 GLY H H 1 8.900 0.007 . . . . . . . . . . 5248 1 25 . 1 1 10 10 GLY HA2 H 1 3.288 0.010 . . . . . . . . . . 5248 1 26 . 1 1 10 10 GLY HA3 H 1 4.070 0.009 . . . . . . . . . . 5248 1 27 . 1 1 11 11 TRP H H 1 7.411 0.011 . . . . . . . . . . 5248 1 28 . 1 1 11 11 TRP HA H 1 5.274 0.009 . . . . . . . . . . 5248 1 29 . 1 1 11 11 TRP HB2 H 1 3.286 0.006 . . . . . . . . . . 5248 1 30 . 1 1 11 11 TRP HB3 H 1 2.996 0.010 . . . . . . . . . . 5248 1 31 . 1 1 11 11 TRP HD1 H 1 6.993 0.007 . . . . . . . . . . 5248 1 32 . 1 1 11 11 TRP HE3 H 1 7.408 0.008 . . . . . . . . . . 5248 1 33 . 1 1 11 11 TRP HE1 H 1 10.714 0.005 . . . . . . . . . . 5248 1 34 . 1 1 11 11 TRP HZ3 H 1 6.981 0.009 . . . . . . . . . . 5248 1 35 . 1 1 11 11 TRP HZ2 H 1 7.469 0.009 . . . . . . . . . . 5248 1 36 . 1 1 11 11 TRP HH2 H 1 7.037 0.010 . . . . . . . . . . 5248 1 37 . 1 1 12 12 GLU H H 1 9.849 0.003 . . . . . . . . . . 5248 1 38 . 1 1 12 12 GLU HA H 1 4.875 0.009 . . . . . . . . . . 5248 1 39 . 1 1 12 12 GLU HG2 H 1 2.352 0.007 . . . . . . . . . . 5248 1 40 . 1 1 12 12 GLU HG3 H 1 2.574 0.004 . . . . . . . . . . 5248 1 41 . 1 1 13 13 LYS H H 1 9.066 0.009 . . . . . . . . . . 5248 1 42 . 1 1 13 13 LYS HA H 1 4.413 0.023 . . . . . . . . . . 5248 1 43 . 1 1 14 14 ARG H H 1 8.953 0.007 . . . . . . . . . . 5248 1 44 . 1 1 14 14 ARG HA H 1 4.464 0.002 . . . . . . . . . . 5248 1 45 . 1 1 14 14 ARG HB2 H 1 0.110 0.006 . . . . . . . . . . 5248 1 46 . 1 1 14 14 ARG HB3 H 1 1.319 0.004 . . . . . . . . . . 5248 1 47 . 1 1 14 14 ARG HG2 H 1 1.267 0.003 . . . . . . . . . . 5248 1 48 . 1 1 14 14 ARG HG3 H 1 1.413 0.013 . . . . . . . . . . 5248 1 49 . 1 1 14 14 ARG HD2 H 1 2.665 0.009 . . . . . . . . . . 5248 1 50 . 1 1 14 14 ARG HD3 H 1 2.913 0.005 . . . . . . . . . . 5248 1 51 . 1 1 14 14 ARG HE H 1 7.017 0.008 . . . . . . . . . . 5248 1 52 . 1 1 14 14 ARG HH11 H 1 6.233 0.006 . . . . . . . . . . 5248 1 53 . 1 1 14 14 ARG HH21 H 1 6.367 0.007 . . . . . . . . . . 5248 1 54 . 1 1 15 15 MET H H 1 8.342 0.004 . . . . . . . . . . 5248 1 55 . 1 1 15 15 MET HA H 1 4.993 0.005 . . . . . . . . . . 5248 1 56 . 1 1 15 15 MET HG2 H 1 2.277 0.007 . . . . . . . . . . 5248 1 57 . 1 1 15 15 MET HG3 H 1 2.458 0.007 . . . . . . . . . . 5248 1 58 . 1 1 16 16 SER H H 1 9.131 0.005 . . . . . . . . . . 5248 1 59 . 1 1 16 16 SER HA H 1 4.887 0.002 . . . . . . . . . . 5248 1 60 . 1 1 16 16 SER HB2 H 1 4.310 0.011 . . . . . . . . . . 5248 1 61 . 1 1 16 16 SER HB3 H 1 4.228 0.009 . . . . . . . . . . 5248 1 62 . 1 1 17 17 ARG H H 1 10.000 0.040 . . . . . . . . . . 5248 1 63 . 1 1 17 17 ARG HA H 1 4.162 0.009 . . . . . . . . . . 5248 1 64 . 1 1 17 17 ARG HE H 1 7.765 0.029 . . . . . . . . . . 5248 1 65 . 1 1 18 18 SER H H 1 8.784 0.012 . . . . . . . . . . 5248 1 66 . 1 1 18 18 SER HA H 1 4.374 0.013 . . . . . . . . . . 5248 1 67 . 1 1 18 18 SER HB3 H 1 3.939 0.005 . . . . . . . . . . 5248 1 68 . 1 1 19 19 SER H H 1 8.333 0.005 . . . . . . . . . . 5248 1 69 . 1 1 19 19 SER HA H 1 4.312 0.005 . . . . . . . . . . 5248 1 70 . 1 1 19 19 SER HB2 H 1 3.753 0.012 . . . . . . . . . . 5248 1 71 . 1 1 19 19 SER HB3 H 1 3.823 0.007 . . . . . . . . . . 5248 1 72 . 1 1 20 20 GLY H H 1 8.146 0.015 . . . . . . . . . . 5248 1 73 . 1 1 20 20 GLY HA2 H 1 4.152 0.007 . . . . . . . . . . 5248 1 74 . 1 1 20 20 GLY HA3 H 1 3.978 0.009 . . . . . . . . . . 5248 1 75 . 1 1 21 21 ARG H H 1 7.743 0.003 . . . . . . . . . . 5248 1 76 . 1 1 21 21 ARG HA H 1 4.486 0.010 . . . . . . . . . . 5248 1 77 . 1 1 21 21 ARG HB2 H 1 1.774 0.005 . . . . . . . . . . 5248 1 78 . 1 1 21 21 ARG HB3 H 1 2.007 0.008 . . . . . . . . . . 5248 1 79 . 1 1 21 21 ARG HD2 H 1 2.511 0.010 . . . . . . . . . . 5248 1 80 . 1 1 21 21 ARG HD3 H 1 2.853 0.009 . . . . . . . . . . 5248 1 81 . 1 1 21 21 ARG HE H 1 6.816 0.010 . . . . . . . . . . 5248 1 82 . 1 1 21 21 ARG HH11 H 1 6.007 0.004 . . . . . . . . . . 5248 1 83 . 1 1 21 21 ARG HH21 H 1 6.127 0.004 . . . . . . . . . . 5248 1 84 . 1 1 22 22 VAL H H 1 8.681 0.006 . . . . . . . . . . 5248 1 85 . 1 1 22 22 VAL HA H 1 4.708 0.007 . . . . . . . . . . 5248 1 86 . 1 1 22 22 VAL HB H 1 2.026 0.003 . . . . . . . . . . 5248 1 87 . 1 1 22 22 VAL HG11 H 1 0.841 0.006 . 1 . . . . . . . . 5248 1 88 . 1 1 22 22 VAL HG12 H 1 0.841 0.006 . 1 . . . . . . . . 5248 1 89 . 1 1 22 22 VAL HG13 H 1 0.841 0.006 . 1 . . . . . . . . 5248 1 90 . 1 1 22 22 VAL HG21 H 1 1.089 0.008 . 1 . . . . . . . . 5248 1 91 . 1 1 22 22 VAL HG22 H 1 1.089 0.008 . 1 . . . . . . . . 5248 1 92 . 1 1 22 22 VAL HG23 H 1 1.089 0.008 . 1 . . . . . . . . 5248 1 93 . 1 1 23 23 TYR H H 1 8.761 0.008 . . . . . . . . . . 5248 1 94 . 1 1 23 23 TYR HA H 1 4.936 0.006 . . . . . . . . . . 5248 1 95 . 1 1 23 23 TYR HB2 H 1 2.569 0.004 . . . . . . . . . . 5248 1 96 . 1 1 23 23 TYR HB3 H 1 3.013 0.014 . . . . . . . . . . 5248 1 97 . 1 1 23 23 TYR HD1 H 1 6.924 0.006 . . . . . . . . . . 5248 1 98 . 1 1 23 23 TYR HE1 H 1 6.468 0.004 . . . . . . . . . . 5248 1 99 . 1 1 23 23 TYR HE2 H 1 6.939 0.011 . . . . . . . . . . 5248 1 100 . 1 1 23 23 TYR HD2 H 1 8.199 0.002 . . . . . . . . . . 5248 1 101 . 1 1 24 24 TYR H H 1 9.100 0.006 . . . . . . . . . . 5248 1 102 . 1 1 24 24 TYR HA H 1 5.302 0.007 . . . . . . . . . . 5248 1 103 . 1 1 24 24 TYR HB2 H 1 2.921 0.007 . . . . . . . . . . 5248 1 104 . 1 1 24 24 TYR HB3 H 1 2.678 0.012 . . . . . . . . . . 5248 1 105 . 1 1 24 24 TYR HD1 H 1 6.853 0.007 . . . . . . . . . . 5248 1 106 . 1 1 24 24 TYR HE1 H 1 6.790 0.006 . . . . . . . . . . 5248 1 107 . 1 1 24 24 TYR HE2 H 1 7.529 0.000 . . . . . . . . . . 5248 1 108 . 1 1 25 25 PHE H H 1 9.451 0.009 . . . . . . . . . . 5248 1 109 . 1 1 25 25 PHE HA H 1 5.687 0.009 . . . . . . . . . . 5248 1 110 . 1 1 25 25 PHE HB2 H 1 2.593 0.009 . . . . . . . . . . 5248 1 111 . 1 1 25 25 PHE HB3 H 1 2.955 0.005 . . . . . . . . . . 5248 1 112 . 1 1 25 25 PHE HZ H 1 7.340 0.009 . . . . . . . . . . 5248 1 113 . 1 1 26 26 ASN H H 1 8.267 0.009 . . . . . . . . . . 5248 1 114 . 1 1 26 26 ASN HA H 1 4.392 0.006 . . . . . . . . . . 5248 1 115 . 1 1 26 26 ASN HB2 H 1 2.026 0.009 . . . . . . . . . . 5248 1 116 . 1 1 26 26 ASN HB3 H 1 -0.682 0.010 . . . . . . . . . . 5248 1 117 . 1 1 26 26 ASN HD21 H 1 6.668 0.004 . . . . . . . . . . 5248 1 118 . 1 1 26 26 ASN HD22 H 1 4.223 0.002 . . . . . . . . . . 5248 1 119 . 1 1 27 27 HIS H H 1 8.238 0.004 . . . . . . . . . . 5248 1 120 . 1 1 27 27 HIS HA H 1 4.174 0.014 . . . . . . . . . . 5248 1 121 . 1 1 27 27 HIS HB2 H 1 3.415 0.020 . . . . . . . . . . 5248 1 122 . 1 1 27 27 HIS HB3 H 1 3.158 0.009 . . . . . . . . . . 5248 1 123 . 1 1 27 27 HIS HD1 H 1 7.168 0.011 . . . . . . . . . . 5248 1 124 . 1 1 27 27 HIS HD2 H 1 7.129 0.056 . . . . . . . . . . 5248 1 125 . 1 1 27 27 HIS HE1 H 1 8.299 0.038 . . . . . . . . . . 5248 1 126 . 1 1 28 28 ILE H H 1 8.415 0.007 . . . . . . . . . . 5248 1 127 . 1 1 28 28 ILE HA H 1 3.864 0.009 . . . . . . . . . . 5248 1 128 . 1 1 28 28 ILE HB H 1 2.029 0.006 . . . . . . . . . . 5248 1 129 . 1 1 28 28 ILE HG21 H 1 0.790 0.006 . 1 . . . . . . . . 5248 1 130 . 1 1 28 28 ILE HG22 H 1 0.790 0.006 . 1 . . . . . . . . 5248 1 131 . 1 1 28 28 ILE HG23 H 1 0.790 0.006 . 1 . . . . . . . . 5248 1 132 . 1 1 28 28 ILE HG12 H 1 1.286 0.004 . . . . . . . . . . 5248 1 133 . 1 1 28 28 ILE HG13 H 1 0.988 0.010 . . . . . . . . . . 5248 1 134 . 1 1 28 28 ILE HD11 H 1 0.753 0.007 . 1 . . . . . . . . 5248 1 135 . 1 1 28 28 ILE HD12 H 1 0.753 0.007 . 1 . . . . . . . . 5248 1 136 . 1 1 28 28 ILE HD13 H 1 0.753 0.007 . 1 . . . . . . . . 5248 1 137 . 1 1 29 29 THR H H 1 7.372 0.005 . . . . . . . . . . 5248 1 138 . 1 1 29 29 THR HA H 1 4.117 0.007 . . . . . . . . . . 5248 1 139 . 1 1 29 29 THR HB H 1 4.261 0.008 . . . . . . . . . . 5248 1 140 . 1 1 29 29 THR HG21 H 1 0.959 0.004 . 1 . . . . . . . . 5248 1 141 . 1 1 29 29 THR HG22 H 1 0.959 0.004 . 1 . . . . . . . . 5248 1 142 . 1 1 29 29 THR HG23 H 1 0.959 0.004 . 1 . . . . . . . . 5248 1 143 . 1 1 30 30 ASN H H 1 8.111 0.007 . . . . . . . . . . 5248 1 144 . 1 1 30 30 ASN HA H 1 4.157 0.007 . . . . . . . . . . 5248 1 145 . 1 1 30 30 ASN HB2 H 1 2.943 0.007 . . . . . . . . . . 5248 1 146 . 1 1 30 30 ASN HB3 H 1 3.161 0.009 . . . . . . . . . . 5248 1 147 . 1 1 30 30 ASN HD21 H 1 6.947 0.000 . . . . . . . . . . 5248 1 148 . 1 1 30 30 ASN HD22 H 1 7.583 0.000 . . . . . . . . . . 5248 1 149 . 1 1 31 31 ALA H H 1 7.173 0.006 . . . . . . . . . . 5248 1 150 . 1 1 31 31 ALA HA H 1 4.460 0.009 . . . . . . . . . . 5248 1 151 . 1 1 31 31 ALA HB1 H 1 1.267 0.005 . 1 . . . . . . . . 5248 1 152 . 1 1 31 31 ALA HB2 H 1 1.267 0.005 . 1 . . . . . . . . 5248 1 153 . 1 1 31 31 ALA HB3 H 1 1.267 0.005 . 1 . . . . . . . . 5248 1 154 . 1 1 32 32 SER H H 1 8.440 0.006 . . . . . . . . . . 5248 1 155 . 1 1 32 32 SER HA H 1 6.071 0.004 . . . . . . . . . . 5248 1 156 . 1 1 32 32 SER HB2 H 1 3.742 0.003 . . . . . . . . . . 5248 1 157 . 1 1 32 32 SER HB3 H 1 3.838 0.009 . . . . . . . . . . 5248 1 158 . 1 1 33 33 GLN H H 1 9.428 0.006 . . . . . . . . . . 5248 1 159 . 1 1 33 33 GLN HA H 1 4.865 0.011 . . . . . . . . . . 5248 1 160 . 1 1 33 33 GLN HB2 H 1 2.234 0.006 . . . . . . . . . . 5248 1 161 . 1 1 33 33 GLN HB3 H 1 2.536 0.011 . . . . . . . . . . 5248 1 162 . 1 1 33 33 GLN HE21 H 1 6.788 0.001 . . . . . . . . . . 5248 1 163 . 1 1 33 33 GLN HE22 H 1 7.517 0.000 . . . . . . . . . . 5248 1 164 . 1 1 34 34 TRP H H 1 8.494 0.014 . . . . . . . . . . 5248 1 165 . 1 1 34 34 TRP HA H 1 5.002 0.007 . . . . . . . . . . 5248 1 166 . 1 1 34 34 TRP HB2 H 1 3.217 0.006 . . . . . . . . . . 5248 1 167 . 1 1 34 34 TRP HB3 H 1 3.642 0.007 . . . . . . . . . . 5248 1 168 . 1 1 34 34 TRP HD1 H 1 7.504 0.005 . . . . . . . . . . 5248 1 169 . 1 1 34 34 TRP HE3 H 1 8.198 0.004 . . . . . . . . . . 5248 1 170 . 1 1 34 34 TRP HE1 H 1 10.211 0.004 . . . . . . . . . . 5248 1 171 . 1 1 34 34 TRP HZ3 H 1 6.938 0.007 . . . . . . . . . . 5248 1 172 . 1 1 34 34 TRP HZ2 H 1 7.399 0.004 . . . . . . . . . . 5248 1 173 . 1 1 34 34 TRP HH2 H 1 7.114 0.006 . . . . . . . . . . 5248 1 174 . 1 1 35 35 GLU H H 1 8.156 0.005 . . . . . . . . . . 5248 1 175 . 1 1 35 35 GLU HA H 1 4.422 0.013 . . . . . . . . . . 5248 1 176 . 1 1 35 35 GLU HG2 H 1 2.272 0.008 . . . . . . . . . . 5248 1 177 . 1 1 35 35 GLU HG3 H 1 2.349 0.014 . . . . . . . . . . 5248 1 178 . 1 1 36 36 ARG H H 1 8.677 0.003 . . . . . . . . . . 5248 1 179 . 1 1 36 36 ARG HA H 1 2.627 0.009 . . . . . . . . . . 5248 1 180 . 1 1 36 36 ARG HG2 H 1 0.914 0.018 . . . . . . . . . . 5248 1 181 . 1 1 36 36 ARG HG3 H 1 1.224 0.008 . . . . . . . . . . 5248 1 182 . 1 1 36 36 ARG HE H 1 7.465 0.021 . . . . . . . . . . 5248 1 183 . 1 1 37 37 PRO HA H 1 3.938 0.009 . . . . . . . . . . 5248 1 184 . 1 1 37 37 PRO HB2 H 1 0.789 0.008 . . . . . . . . . . 5248 1 185 . 1 1 37 37 PRO HB3 H 1 0.897 0.014 . . . . . . . . . . 5248 1 186 . 1 1 37 37 PRO HG2 H 1 -0.070 0.003 . . . . . . . . . . 5248 1 187 . 1 1 37 37 PRO HG3 H 1 0.567 0.045 . . . . . . . . . . 5248 1 188 . 1 1 37 37 PRO HD2 H 1 2.515 0.009 . . . . . . . . . . 5248 1 189 . 1 1 37 37 PRO HD3 H 1 2.300 0.010 . . . . . . . . . . 5248 1 190 . 1 1 38 38 SER H H 1 8.070 0.005 . . . . . . . . . . 5248 1 191 . 1 1 38 38 SER HA H 1 4.711 0.005 . . . . . . . . . . 5248 1 192 . 1 1 38 38 SER HB2 H 1 3.894 0.016 . . . . . . . . . . 5248 1 193 . 1 1 38 38 SER HB3 H 1 4.019 0.007 . . . . . . . . . . 5248 1 194 . 1 1 39 39 GLY H H 1 8.059 0.009 . . . . . . . . . . 5248 1 195 . 1 1 39 39 GLY HA2 H 1 3.830 0.016 . . . . . . . . . . 5248 1 196 . 1 1 39 39 GLY HA3 H 1 3.745 0.007 . . . . . . . . . . 5248 1 stop_ save_