################################### # 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 18287 _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 1 '2D 1H-1H TOCSY' . . . 18287 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 2 2 ILE H H 1 7.956 0.015 . 1 . . . . 2 I H . 18287 1 2 . 1 1 2 2 ILE HA H 1 4.341 0.015 . 1 . . . . 2 I HA . 18287 1 3 . 1 1 2 2 ILE HB H 1 1.806 0.015 . 1 . . . . 2 I HB . 18287 1 4 . 1 1 2 2 ILE HD11 H 1 0.919 0.015 . 1 . . . . 2 I HD1 . 18287 1 5 . 1 1 2 2 ILE HD12 H 1 0.919 0.015 . 1 . . . . 2 I HD1 . 18287 1 6 . 1 1 2 2 ILE HD13 H 1 0.919 0.015 . 1 . . . . 2 I HD1 . 18287 1 7 . 1 1 3 3 HIS H H 1 8.075 0.015 . 1 . . . . 3 H H . 18287 1 8 . 1 1 3 3 HIS HB3 H 1 3.041 0.015 . 2 . . . . 3 H HB3 . 18287 1 9 . 1 1 4 4 LYS H H 1 8.442 0.015 . 1 . . . . 4 K H . 18287 1 10 . 1 1 4 4 LYS HA H 1 4.316 0.015 . 1 . . . . 4 K HA . 18287 1 11 . 1 1 4 4 LYS HB2 H 1 1.892 0.015 . 2 . . . . 4 K HB2 . 18287 1 12 . 1 1 4 4 LYS HB3 H 1 1.830 0.015 . 2 . . . . 4 K HB3 . 18287 1 13 . 1 1 4 4 LYS HG2 H 1 1.504 0.015 . 2 . . . . 4 K QG . 18287 1 14 . 1 1 4 4 LYS HG3 H 1 1.504 0.015 . 2 . . . . 4 K QG . 18287 1 15 . 1 1 4 4 LYS HD2 H 1 1.758 0.015 . 2 . . . . 4 K QD . 18287 1 16 . 1 1 4 4 LYS HD3 H 1 1.758 0.015 . 2 . . . . 4 K QD . 18287 1 17 . 1 1 5 5 GLN H H 1 8.479 0.015 . 1 . . . . 5 Q H . 18287 1 18 . 1 1 5 5 GLN HA H 1 4.343 0.015 . 1 . . . . 5 Q HA . 18287 1 19 . 1 1 5 5 GLN HB2 H 1 2.108 0.015 . 2 . . . . 5 Q HB2 . 18287 1 20 . 1 1 5 5 GLN HB3 H 1 2.015 0.015 . 2 . . . . 5 Q HB3 . 18287 1 21 . 1 1 5 5 GLN HG2 H 1 2.344 0.015 . 2 . . . . 5 Q QG . 18287 1 22 . 1 1 5 5 GLN HG3 H 1 2.344 0.015 . 2 . . . . 5 Q QG . 18287 1 23 . 1 1 6 6 LYS H H 1 8.421 0.015 . 1 . . . . 6 K H . 18287 1 24 . 1 1 6 6 LYS HA H 1 4.353 0.015 . 1 . . . . 6 K HA . 18287 1 25 . 1 1 6 6 LYS HB2 H 1 1.915 0.015 . 2 . . . . 6 K HB2 . 18287 1 26 . 1 1 6 6 LYS HB3 H 1 1.832 0.015 . 2 . . . . 6 K HB3 . 18287 1 27 . 1 1 6 6 LYS HG2 H 1 1.495 0.015 . 2 . . . . 6 K QG . 18287 1 28 . 1 1 6 6 LYS HG3 H 1 1.495 0.015 . 2 . . . . 6 K QG . 18287 1 29 . 1 1 6 6 LYS HD2 H 1 1.748 0.015 . 2 . . . . 6 K QD . 18287 1 30 . 1 1 6 6 LYS HD3 H 1 1.748 0.015 . 2 . . . . 6 K QD . 18287 1 31 . 1 1 7 7 GLU H H 1 8.309 0.015 . 1 . . . . 7 E H . 18287 1 32 . 1 1 7 7 GLU HG2 H 1 2.239 0.015 . 2 . . . . 7 E QG . 18287 1 33 . 1 1 7 7 GLU HG3 H 1 2.239 0.015 . 2 . . . . 7 E QG . 18287 1 34 . 1 1 8 8 LYS H H 1 8.399 0.015 . 1 . . . . 8 K H . 18287 1 35 . 1 1 8 8 LYS HA H 1 4.432 0.015 . 1 . . . . 8 K HA . 18287 1 36 . 1 1 8 8 LYS HB2 H 1 1.940 0.015 . 2 . . . . 8 K HB2 . 18287 1 37 . 1 1 8 8 LYS HB3 H 1 1.825 0.015 . 2 . . . . 8 K HB3 . 18287 1 38 . 1 1 8 8 LYS HD2 H 1 1.691 0.015 . 2 . . . . 8 K QD . 18287 1 39 . 1 1 8 8 LYS HD3 H 1 1.691 0.015 . 2 . . . . 8 K QD . 18287 1 40 . 1 1 9 9 SER H H 1 8.259 0.015 . 1 . . . . 9 S H . 18287 1 41 . 1 1 9 9 SER HA H 1 4.400 0.015 . 1 . . . . 9 S HA . 18287 1 42 . 1 1 9 9 SER HB2 H 1 3.911 0.015 . 2 . . . . 9 S HB2 . 18287 1 43 . 1 1 9 9 SER HB3 H 1 3.873 0.015 . 2 . . . . 9 S HB3 . 18287 1 44 . 1 1 10 10 ARG H H 1 7.993 0.015 . 1 . . . . 10 R H . 18287 1 45 . 1 1 10 10 ARG HA H 1 4.626 0.015 . 1 . . . . 10 R HA . 18287 1 46 . 1 1 10 10 ARG HB2 H 1 1.832 0.015 . 2 . . . . 10 R QB . 18287 1 47 . 1 1 10 10 ARG HB3 H 1 1.832 0.015 . 2 . . . . 10 R QB . 18287 1 48 . 1 1 10 10 ARG HG2 H 1 1.703 0.015 . 2 . . . . 10 R QG . 18287 1 49 . 1 1 10 10 ARG HG3 H 1 1.703 0.015 . 2 . . . . 10 R QG . 18287 1 50 . 1 1 10 10 ARG HD2 H 1 3.094 0.015 . 2 . . . . 10 R QD . 18287 1 51 . 1 1 10 10 ARG HD3 H 1 3.094 0.015 . 2 . . . . 10 R QD . 18287 1 52 . 1 1 10 10 ARG HE H 1 7.169 0.015 . 1 . . . . 10 R HE . 18287 1 53 . 1 1 11 11 LEU H H 1 8.208 0.015 . 1 . . . . 11 L H . 18287 1 54 . 1 1 11 11 LEU HA H 1 4.425 0.015 . 1 . . . . 11 L HA . 18287 1 55 . 1 1 11 11 LEU HB2 H 1 1.696 0.015 . 2 . . . . 11 L HB2 . 18287 1 56 . 1 1 11 11 LEU HB3 H 1 1.632 0.015 . 2 . . . . 11 L HB3 . 18287 1 57 . 1 1 12 12 GLN H H 1 8.373 0.015 . 1 . . . . 12 Q H . 18287 1 58 . 1 1 12 12 GLN HA H 1 4.425 0.015 . 1 . . . . 12 Q HA . 18287 1 59 . 1 1 12 12 GLN HB2 H 1 2.186 0.015 . 2 . . . . 12 Q HB2 . 18287 1 60 . 1 1 12 12 GLN HB3 H 1 2.061 0.015 . 2 . . . . 12 Q HB3 . 18287 1 61 . 1 1 12 12 GLN HG2 H 1 2.424 0.015 . 2 . . . . 12 Q QG . 18287 1 62 . 1 1 12 12 GLN HG3 H 1 2.424 0.015 . 2 . . . . 12 Q QG . 18287 1 63 . 1 1 13 13 GLY H H 1 8.450 0.015 . 1 . . . . 13 G H . 18287 1 64 . 1 1 13 13 GLY HA2 H 1 4.033 0.015 . 2 . . . . 13 G QA . 18287 1 65 . 1 1 13 13 GLY HA3 H 1 4.033 0.015 . 2 . . . . 13 G QA . 18287 1 66 . 1 1 14 14 GLY H H 1 8.273 0.015 . 1 . . . . 14 G H . 18287 1 67 . 1 1 14 14 GLY HA2 H 1 4.028 0.015 . 2 . . . . 14 G QA . 18287 1 68 . 1 1 14 14 GLY HA3 H 1 4.028 0.015 . 2 . . . . 14 G QA . 18287 1 69 . 1 1 15 15 VAL H H 1 7.927 0.015 . 1 . . . . 15 V H . 18287 1 70 . 1 1 15 15 VAL HA H 1 4.187 0.015 . 1 . . . . 15 V HA . 18287 1 71 . 1 1 15 15 VAL HB H 1 2.132 0.015 . 1 . . . . 15 V HB . 18287 1 72 . 1 1 15 15 VAL HG11 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 73 . 1 1 15 15 VAL HG12 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 74 . 1 1 15 15 VAL HG13 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 75 . 1 1 15 15 VAL HG21 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 76 . 1 1 15 15 VAL HG22 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 77 . 1 1 15 15 VAL HG23 H 1 0.983 0.015 . 2 . . . . 15 V QG . 18287 1 78 . 1 1 16 16 LEU H H 1 8.326 0.015 . 1 . . . . 16 L H . 18287 1 79 . 1 1 16 16 LEU HA H 1 4.480 0.015 . 1 . . . . 16 L HA . 18287 1 80 . 1 1 16 16 LEU HB2 H 1 1.700 0.015 . 2 . . . . 16 L HB2 . 18287 1 81 . 1 1 16 16 LEU HB3 H 1 1.645 0.015 . 2 . . . . 16 L HB3 . 18287 1 82 . 1 1 16 16 LEU HG H 1 1.467 0.015 . 1 . . . . 16 L HG . 18287 1 83 . 1 1 17 17 VAL H H 1 8.101 0.015 . 1 . . . . 17 V H . 18287 1 84 . 1 1 17 17 VAL HA H 1 4.118 0.015 . 1 . . . . 17 V HA . 18287 1 85 . 1 1 17 17 VAL HB H 1 2.130 0.015 . 1 . . . . 17 V HB . 18287 1 86 . 1 1 17 17 VAL HG11 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 87 . 1 1 17 17 VAL HG12 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 88 . 1 1 17 17 VAL HG13 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 89 . 1 1 17 17 VAL HG21 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 90 . 1 1 17 17 VAL HG22 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 91 . 1 1 17 17 VAL HG23 H 1 0.991 0.015 . 2 . . . . 17 V QG . 18287 1 92 . 1 1 18 18 ASN H H 1 8.410 0.015 . 1 . . . . 18 N H . 18287 1 93 . 1 1 18 18 ASN HA H 1 4.715 0.015 . 1 . . . . 18 N HA . 18287 1 94 . 1 1 18 18 ASN HB2 H 1 2.883 0.015 . 2 . . . . 18 N HB2 . 18287 1 95 . 1 1 18 18 ASN HB3 H 1 2.805 0.015 . 2 . . . . 18 N HB3 . 18287 1 96 . 1 1 19 19 GLU H H 1 8.346 0.015 . 1 . . . . 19 E H . 18287 1 97 . 1 1 19 19 GLU HA H 1 4.312 0.015 . 1 . . . . 19 E HA . 18287 1 98 . 1 1 19 19 GLU HB2 H 1 2.108 0.015 . 2 . . . . 19 E HB2 . 18287 1 99 . 1 1 19 19 GLU HB3 H 1 2.034 0.015 . 2 . . . . 19 E HB3 . 18287 1 100 . 1 1 19 19 GLU HG2 H 1 2.329 0.015 . 2 . . . . 19 E HG2 . 18287 1 101 . 1 1 19 19 GLU HG3 H 1 2.271 0.015 . 2 . . . . 19 E HG3 . 18287 1 102 . 1 1 20 20 ILE H H 1 8.046 0.015 . 1 . . . . 20 I H . 18287 1 103 . 1 1 20 20 ILE HA H 1 4.258 0.015 . 1 . . . . 20 I HA . 18287 1 104 . 1 1 20 20 ILE HB H 1 1.948 0.015 . 1 . . . . 20 I HB . 18287 1 105 . 1 1 20 20 ILE HG12 H 1 1.262 0.015 . 2 . . . . 20 I HG12 . 18287 1 106 . 1 1 20 20 ILE HG21 H 1 1.554 0.015 . 1 . . . . 20 I HG22 . 18287 1 107 . 1 1 20 20 ILE HG22 H 1 1.554 0.015 . 1 . . . . 20 I HG22 . 18287 1 108 . 1 1 20 20 ILE HG23 H 1 1.554 0.015 . 1 . . . . 20 I HG22 . 18287 1 109 . 1 1 21 21 LEU H H 1 8.076 0.015 . 1 . . . . 21 L H . 18287 1 110 . 1 1 21 21 LEU HA H 1 4.329 0.015 . 1 . . . . 21 L HA . 18287 1 111 . 1 1 21 21 LEU HB2 H 1 1.700 0.015 . 2 . . . . 21 L QB . 18287 1 112 . 1 1 21 21 LEU HB3 H 1 1.700 0.015 . 2 . . . . 21 L QB . 18287 1 113 . 1 1 21 21 LEU HG H 1 1.584 0.015 . 1 . . . . 21 L HG . 18287 1 114 . 1 1 21 21 LEU HD11 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 115 . 1 1 21 21 LEU HD12 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 116 . 1 1 21 21 LEU HD13 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 117 . 1 1 21 21 LEU HD21 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 118 . 1 1 21 21 LEU HD22 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 119 . 1 1 21 21 LEU HD23 H 1 0.943 0.015 . 2 . . . . 21 L QD . 18287 1 120 . 1 1 22 22 ASN H H 1 8.211 0.015 . 1 . . . . 22 N H . 18287 1 121 . 1 1 22 22 ASN HB2 H 1 2.837 0.015 . 2 . . . . 22 N QB . 18287 1 122 . 1 1 22 22 ASN HB3 H 1 2.837 0.015 . 2 . . . . 22 N QB . 18287 1 123 . 1 1 23 23 HIS H H 1 8.573 0.015 . 1 . . . . 23 H H . 18287 1 124 . 1 1 23 23 HIS HA H 1 4.787 0.015 . 1 . . . . 23 H HA . 18287 1 125 . 1 1 23 23 HIS HB2 H 1 3.261 0.015 . 2 . . . . 23 H HB2 . 18287 1 126 . 1 1 23 23 HIS HB3 H 1 3.171 0.015 . 2 . . . . 23 H HB3 . 18287 1 127 . 1 1 23 23 HIS HD2 H 1 7.231 0.015 . 1 . . . . 23 H HD2 . 18287 1 128 . 1 1 23 23 HIS HE1 H 1 8.320 0.015 . 1 . . . . 23 H HE1 . 18287 1 129 . 1 1 24 24 MET H H 1 8.164 0.015 . 1 . . . . 24 M H . 18287 1 130 . 1 1 24 24 MET HA H 1 4.460 0.015 . 1 . . . . 24 M HA . 18287 1 131 . 1 1 24 24 MET HB3 H 1 2.099 0.015 . 2 . . . . 24 M HB3 . 18287 1 132 . 1 1 24 24 MET HG2 H 1 2.637 0.015 . 2 . . . . 24 M HG2 . 18287 1 133 . 1 1 24 24 MET HG3 H 1 2.553 0.015 . 2 . . . . 24 M HG3 . 18287 1 134 . 1 1 24 24 MET HE1 H 1 2.156 0.015 . 1 . . . . 24 M QE . 18287 1 135 . 1 1 24 24 MET HE2 H 1 2.156 0.015 . 1 . . . . 24 M QE . 18287 1 136 . 1 1 24 24 MET HE3 H 1 2.156 0.015 . 1 . . . . 24 M QE . 18287 1 137 . 1 1 25 25 LYS H H 1 8.204 0.015 . 1 . . . . 25 K H . 18287 1 138 . 1 1 25 25 LYS HB2 H 1 1.832 0.015 . 2 . . . . 25 K HB2 . 18287 1 139 . 1 1 25 25 LYS HG2 H 1 1.464 0.015 . 2 . . . . 25 K QG . 18287 1 140 . 1 1 25 25 LYS HG3 H 1 1.464 0.015 . 2 . . . . 25 K QG . 18287 1 141 . 1 1 26 26 ARG H H 1 8.230 0.015 . 1 . . . . 26 R H . 18287 1 142 . 1 1 26 26 ARG HA H 1 4.379 0.015 . 1 . . . . 26 R HA . 18287 1 143 . 1 1 26 26 ARG HB2 H 1 1.925 0.015 . 2 . . . . 26 R HB2 . 18287 1 144 . 1 1 26 26 ARG HB3 H 1 1.821 0.015 . 2 . . . . 26 R HB3 . 18287 1 145 . 1 1 26 26 ARG HG2 H 1 1.702 0.015 . 2 . . . . 26 R QG . 18287 1 146 . 1 1 26 26 ARG HG3 H 1 1.702 0.015 . 2 . . . . 26 R QG . 18287 1 147 . 1 1 27 27 ALA H H 1 7.986 0.015 . 1 . . . . 27 A H . 18287 1 148 . 1 1 27 27 ALA HA H 1 4.282 0.015 . 1 . . . . 27 A HA . 18287 1 149 . 1 1 27 27 ALA HB1 H 1 1.366 0.015 . 1 . . . . 27 A QB . 18287 1 150 . 1 1 27 27 ALA HB2 H 1 1.366 0.015 . 1 . . . . 27 A QB . 18287 1 151 . 1 1 27 27 ALA HB3 H 1 1.366 0.015 . 1 . . . . 27 A QB . 18287 1 152 . 1 1 28 28 THR H H 1 8.049 0.015 . 1 . . . . 28 T H . 18287 1 153 . 1 1 28 28 THR HA H 1 4.348 0.015 . 1 . . . . 28 T HA . 18287 1 154 . 1 1 28 28 THR HB H 1 4.099 0.015 . 1 . . . . 28 T HB . 18287 1 155 . 1 1 28 28 THR HG21 H 1 1.256 0.015 . 1 . . . . 28 T HG2 . 18287 1 156 . 1 1 28 28 THR HG22 H 1 1.256 0.015 . 1 . . . . 28 T HG2 . 18287 1 157 . 1 1 28 28 THR HG23 H 1 1.256 0.015 . 1 . . . . 28 T HG2 . 18287 1 158 . 1 1 29 29 GLN H H 1 8.307 0.015 . 1 . . . . 29 Q H . 18287 1 159 . 1 1 29 29 GLN HA H 1 4.442 0.015 . 1 . . . . 29 Q HA . 18287 1 160 . 1 1 29 29 GLN HB2 H 1 2.119 0.015 . 2 . . . . 29 Q HB2 . 18287 1 161 . 1 1 29 29 GLN HB3 H 1 2.024 0.015 . 2 . . . . 29 Q HB3 . 18287 1 162 . 1 1 29 29 GLN HG2 H 1 2.387 0.015 . 2 . . . . 29 Q QG . 18287 1 163 . 1 1 29 29 GLN HG3 H 1 2.387 0.015 . 2 . . . . 29 Q QG . 18287 1 164 . 1 1 30 30 ILE H H 1 8.187 0.015 . 1 . . . . 30 I H . 18287 1 165 . 1 1 30 30 ILE HA H 1 4.507 0.015 . 1 . . . . 30 I HA . 18287 1 166 . 1 1 30 30 ILE HB H 1 1.915 0.015 . 1 . . . . 30 I HB . 18287 1 167 . 1 1 30 30 ILE HG12 H 1 1.228 0.015 . 2 . . . . 30 I HG12 . 18287 1 168 . 1 1 30 30 ILE HG13 H 1 1.001 0.015 . 2 . . . . 30 I HG13 . 18287 1 169 . 1 1 30 30 ILE HG21 H 1 1.551 0.015 . 1 . . . . 30 I HG22 . 18287 1 170 . 1 1 30 30 ILE HG22 H 1 1.551 0.015 . 1 . . . . 30 I HG22 . 18287 1 171 . 1 1 30 30 ILE HG23 H 1 1.551 0.015 . 1 . . . . 30 I HG22 . 18287 1 172 . 1 1 30 30 ILE HD11 H 1 0.909 0.015 . 1 . . . . 30 I HD1 . 18287 1 173 . 1 1 30 30 ILE HD12 H 1 0.909 0.015 . 1 . . . . 30 I HD1 . 18287 1 174 . 1 1 30 30 ILE HD13 H 1 0.909 0.015 . 1 . . . . 30 I HD1 . 18287 1 175 . 1 1 31 31 PRO HB2 H 1 2.295 0.015 . 2 . . . . 31 P HB2 . 18287 1 176 . 1 1 31 31 PRO HB3 H 1 2.050 0.015 . 2 . . . . 31 P HB3 . 18287 1 177 . 1 1 31 31 PRO HG2 H 1 1.792 0.015 . 2 . . . . 31 P QG . 18287 1 178 . 1 1 31 31 PRO HG3 H 1 1.792 0.015 . 2 . . . . 31 P QG . 18287 1 179 . 1 1 31 31 PRO HD2 H 1 3.950 0.015 . 2 . . . . 31 P HD2 . 18287 1 180 . 1 1 31 31 PRO HD3 H 1 3.730 0.015 . 2 . . . . 31 P HD3 . 18287 1 181 . 1 1 32 32 SER H H 1 8.307 0.015 . 1 . . . . 32 S H . 18287 1 182 . 1 1 32 32 SER HA H 1 4.541 0.015 . 1 . . . . 32 S HA . 18287 1 183 . 1 1 32 32 SER HB2 H 1 3.925 0.015 . 2 . . . . 32 S QB . 18287 1 184 . 1 1 32 32 SER HB3 H 1 3.925 0.015 . 2 . . . . 32 S QB . 18287 1 185 . 1 1 33 33 TYR H H 1 7.820 0.015 . 1 . . . . 33 Y H . 18287 1 186 . 1 1 33 33 TYR HA H 1 4.448 0.015 . 1 . . . . 33 Y HA . 18287 1 187 . 1 1 33 33 TYR HB2 H 1 3.163 0.015 . 2 . . . . 33 Y HB2 . 18287 1 188 . 1 1 33 33 TYR HB3 H 1 2.909 0.015 . 2 . . . . 33 Y HB3 . 18287 1 189 . 1 1 34 34 LYS H H 1 8.203 0.015 . 1 . . . . 34 K H . 18287 1 190 . 1 1 34 34 LYS HA H 1 4.342 0.015 . 1 . . . . 34 K HA . 18287 1 191 . 1 1 34 34 LYS HG2 H 1 1.527 0.015 . 2 . . . . 34 K QG . 18287 1 192 . 1 1 34 34 LYS HG3 H 1 1.527 0.015 . 2 . . . . 34 K QG . 18287 1 193 . 1 1 35 35 LYS H H 1 8.068 0.015 . 1 . . . . 35 K H . 18287 1 194 . 1 1 35 35 LYS HA H 1 4.310 0.015 . 1 . . . . 35 K HA . 18287 1 195 . 1 1 35 35 LYS HB2 H 1 1.865 0.015 . 2 . . . . 35 K HB2 . 18287 1 196 . 1 1 35 35 LYS HB3 H 1 1.778 0.015 . 2 . . . . 35 K HB3 . 18287 1 197 . 1 1 35 35 LYS HG2 H 1 1.436 0.015 . 2 . . . . 35 K QG . 18287 1 198 . 1 1 35 35 LYS HG3 H 1 1.436 0.015 . 2 . . . . 35 K QG . 18287 1 199 . 1 1 36 36 LEU H H 1 8.156 0.015 . 1 . . . . 36 L H . 18287 1 200 . 1 1 36 36 LEU HA H 1 4.406 0.015 . 1 . . . . 36 L HA . 18287 1 201 . 1 1 36 36 LEU HB2 H 1 1.637 0.015 . 2 . . . . 36 L QB . 18287 1 202 . 1 1 36 36 LEU HB3 H 1 1.637 0.015 . 2 . . . . 36 L QB . 18287 1 203 . 1 1 36 36 LEU HD11 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 204 . 1 1 36 36 LEU HD12 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 205 . 1 1 36 36 LEU HD13 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 206 . 1 1 36 36 LEU HD21 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 207 . 1 1 36 36 LEU HD22 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 208 . 1 1 36 36 LEU HD23 H 1 0.910 0.015 . 2 . . . . 36 L QD . 18287 1 209 . 1 1 37 37 ILE H H 1 7.994 0.015 . 1 . . . . 37 I H . 18287 1 210 . 1 1 37 37 ILE HA H 1 4.174 0.015 . 1 . . . . 37 I HA . 18287 1 211 . 1 1 37 37 ILE HB H 1 1.833 0.015 . 1 . . . . 37 I HB . 18287 1 212 . 1 1 37 37 ILE HG12 H 1 1.182 0.015 . 2 . . . . 37 I HG12 . 18287 1 213 . 1 1 37 37 ILE HG13 H 1 0.887 0.015 . 2 . . . . 37 I HG12 . 18287 1 214 . 1 1 37 37 ILE HG21 H 1 1.476 0.015 . 1 . . . . 37 I HG22 . 18287 1 215 . 1 1 37 37 ILE HG22 H 1 1.476 0.015 . 1 . . . . 37 I HG22 . 18287 1 216 . 1 1 37 37 ILE HG23 H 1 1.476 0.015 . 1 . . . . 37 I HG22 . 18287 1 217 . 1 1 37 37 ILE HD11 H 1 0.805 0.015 . 1 . . . . 37 I HD1 . 18287 1 218 . 1 1 37 37 ILE HD12 H 1 0.805 0.015 . 1 . . . . 37 I HD1 . 18287 1 219 . 1 1 37 37 ILE HD13 H 1 0.805 0.015 . 1 . . . . 37 I HD1 . 18287 1 220 . 1 1 38 38 MET H H 1 8.206 0.015 . 1 . . . . 38 M H . 18287 1 221 . 1 1 38 38 MET HA H 1 4.523 0.015 . 1 . . . . 38 M HA . 18287 1 222 . 1 1 38 38 MET HB2 H 1 2.071 0.015 . 2 . . . . 38 M HB2 . 18287 1 223 . 1 1 38 38 MET HB3 H 1 1.928 0.015 . 2 . . . . 38 M HB3 . 18287 1 224 . 1 1 38 38 MET HG2 H 1 2.571 0.015 . 2 . . . . 38 M HG2 . 18287 1 225 . 1 1 38 38 MET HG3 H 1 2.487 0.015 . 2 . . . . 38 M HG3 . 18287 1 226 . 1 1 39 39 TYR H H 1 7.643 0.015 . 1 . . . . 39 Y H . 18287 1 227 . 1 1 39 39 TYR HA H 1 4.445 0.015 . 1 . . . . 39 Y HA . 18287 1 228 . 1 1 39 39 TYR HB2 H 1 3.153 0.015 . 2 . . . . 39 Y HB2 . 18287 1 229 . 1 1 39 39 TYR HB3 H 1 2.925 0.015 . 2 . . . . 39 Y HB3 . 18287 1 stop_ save_