################################### # 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 25161 _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' . . . 25161 1 2 '2D 1H-1H NOESY' . . . 25161 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 GLY HA2 H 1 3.8399 0.02 . 2 . . . . 1 GLY HA1 . 25161 1 2 . 1 1 2 2 ASP H H 1 8.6417 0.02 . 1 . . . . 2 ASP H . 25161 1 3 . 1 1 2 2 ASP HA H 1 4.7195 0.02 . 1 . . . . 2 ASP HA . 25161 1 4 . 1 1 2 2 ASP HB3 H 1 2.6552 0.02 . 2 . . . . 2 ASP HB2 . 25161 1 5 . 1 1 2 2 ASP HB2 H 1 2.7638 0.02 . 2 . . . . 2 ASP HB1 . 25161 1 6 . 1 1 3 3 ILE H H 1 8.3208 0.02 . 1 . . . . 3 ILE H . 25161 1 7 . 1 1 3 3 ILE HA H 1 4.1706 0.02 . 1 . . . . 3 ILE HA . 25161 1 8 . 1 1 3 3 ILE HB H 1 1.8822 0.02 . 1 . . . . 3 ILE HB . 25161 1 9 . 1 1 3 3 ILE HG12 H 1 1.4451 0.02 . 2 . . . . 3 ILE HG11 . 25161 1 10 . 1 1 3 3 ILE HD13 H 1 0.8747 0.02 . 1 . . . . 3 ILE HD11 . 25161 1 11 . 1 1 3 3 ILE HD12 H 1 0.8747 0.02 . 1 . . . . 3 ILE HD11 . 25161 1 12 . 1 1 3 3 ILE HD11 H 1 0.8747 0.02 . 1 . . . . 3 ILE HD11 . 25161 1 13 . 1 1 3 3 ILE HG23 H 1 0.8892 0.02 . 1 . . . . 3 ILE HG21 . 25161 1 14 . 1 1 3 3 ILE HG21 H 1 0.8892 0.02 . 1 . . . . 3 ILE HG21 . 25161 1 15 . 1 1 3 3 ILE HG22 H 1 0.8892 0.02 . 1 . . . . 3 ILE HG21 . 25161 1 16 . 1 1 4 4 ASN H H 1 8.4916 0.02 . 1 . . . . 4 ASN H . 25161 1 17 . 1 1 4 4 ASN HA H 1 4.7036 0.02 . 1 . . . . 4 ASN HA . 25161 1 18 . 1 1 4 4 ASN HB3 H 1 2.7810 0.02 . 2 . . . . 4 ASN HB2 . 25161 1 19 . 1 1 4 4 ASN HB2 H 1 2.8202 0.02 . 2 . . . . 4 ASN HB1 . 25161 1 20 . 1 1 4 4 ASN HD21 H 1 7.6264 0.02 . 2 . . . . 4 ASN HD21 . 25161 1 21 . 1 1 4 4 ASN HD22 H 1 6.9071 0.02 . 2 . . . . 4 ASN HD22 . 25161 1 22 . 1 1 5 5 GLY H H 1 8.2547 0.02 . 1 . . . . 5 GLY H . 25161 1 23 . 1 1 5 5 GLY HA2 H 1 3.9113 0.02 . 2 . . . . 5 GLY HA1 . 25161 1 24 . 1 1 6 6 GLU H H 1 8.1469 0.02 . 1 . . . . 6 GLU H . 25161 1 25 . 1 1 6 6 GLU HA H 1 4.3057 0.02 . 1 . . . . 6 GLU HA . 25161 1 26 . 1 1 6 6 GLU HB3 H 1 1.8996 0.02 . 2 . . . . 6 GLU HB2 . 25161 1 27 . 1 1 6 6 GLU HB2 H 1 1.9570 0.02 . 2 . . . . 6 GLU HB1 . 25161 1 28 . 1 1 6 6 GLU HG3 H 1 2.1972 0.02 . 2 . . . . 6 GLU HG2 . 25161 1 29 . 1 1 6 6 GLU HG2 H 1 2.2578 0.02 . 2 . . . . 6 GLU HG1 . 25161 1 30 . 1 1 7 7 PHE H H 1 8.3718 0.02 . 1 . . . . 7 PHE H . 25161 1 31 . 1 1 7 7 PHE HB3 H 1 3.1278 0.02 . 2 . . . . 7 PHE HB2 . 25161 1 32 . 1 1 7 7 PHE HB2 H 1 3.2726 0.02 . 2 . . . . 7 PHE HB1 . 25161 1 33 . 1 1 7 7 PHE HD1 H 1 7.3105 0.02 . 3 . . . . 7 PHE HD1 . 25161 1 34 . 1 1 7 7 PHE HE1 H 1 7.3009 0.02 . 3 . . . . 7 PHE HE1 . 25161 1 35 . 1 1 7 7 PHE HZ H 1 7.3343 0.02 . 1 . . . . 7 PHE HZ . 25161 1 36 . 1 1 8 8 DBU H H 1 9.4579 0.02 . 1 . . . . 8 DBU H . 25161 1 37 . 1 1 8 8 DBU HB H 1 6.5551 0.02 . 1 . . . . 8 DBU HB . 25161 1 38 . 1 1 8 8 DBU HG21 H 1 1.6070 0.02 . 1 . . . . 8 DBU HG21 . 25161 1 39 . 1 1 9 9 ABA H H 1 7.7272 0.02 . 1 . . . . 9 ABA H . 25161 1 40 . 1 1 9 9 ABA HB H 1 3.4760 0.02 . 1 . . . . 9 ABA HB . 25161 1 41 . 1 1 9 9 ABA HG21 H 1 1.3239 0.02 . 1 . . . . 9 ABA HG21 . 25161 1 42 . 1 1 10 10 DHA H H 1 9.6139 0.02 . 1 . . . . 10 DHA H . 25161 1 43 . 1 1 10 10 DHA HB2 H 1 5.2115 0.02 . 2 . . . . 10 DHA HB2 . 25161 1 44 . 1 1 10 10 DHA HB1 H 1 5.4045 0.02 . 2 . . . . 10 DHA HB1 . 25161 1 45 . 1 1 11 11 PRO HA H 1 4.4107 0.02 . 1 . . . . 11 PRO HA . 25161 1 46 . 1 1 11 11 PRO HB3 H 1 2.1168 0.02 . 2 . . . . 11 PRO HB2 . 25161 1 47 . 1 1 11 11 PRO HB2 H 1 2.3601 0.02 . 2 . . . . 11 PRO HB1 . 25161 1 48 . 1 1 11 11 PRO HG2 H 1 2.0081 0.02 . 2 . . . . 11 PRO HG1 . 25161 1 49 . 1 1 11 11 PRO HD3 H 1 3.7612 0.02 . 2 . . . . 11 PRO HD2 . 25161 1 50 . 1 1 11 11 PRO HD2 H 1 3.9607 0.02 . 2 . . . . 11 PRO HD1 . 25161 1 51 . 1 1 12 12 ALA H H 1 7.9086 0.02 . 1 . . . . 12 ALA H . 25161 1 52 . 1 1 12 12 ALA HA H 1 4.4800 0.02 . 1 . . . . 12 ALA HA . 25161 1 53 . 1 1 12 12 ALA HB1 H 1 1.5358 0.02 . 1 . . . . 12 ALA HB1 . 25161 1 54 . 1 1 12 12 ALA HB3 H 1 1.5358 0.02 . 1 . . . . 12 ALA HB1 . 25161 1 55 . 1 1 12 12 ALA HB2 H 1 1.5358 0.02 . 1 . . . . 12 ALA HB1 . 25161 1 56 . 1 1 13 13 CYS H H 1 7.7820 0.02 . 1 . . . . 13 CYS H . 25161 1 57 . 1 1 13 13 CYS HA H 1 4.9665 0.02 . 1 . . . . 13 CYS HA . 25161 1 58 . 1 1 13 13 CYS HB3 H 1 2.5190 0.02 . 2 . . . . 13 CYS HB2 . 25161 1 59 . 1 1 13 13 CYS HB2 H 1 3.3423 0.02 . 2 . . . . 13 CYS HB1 . 25161 1 60 . 1 1 14 14 VAL H H 1 7.5333 0.02 . 1 . . . . 14 VAL H . 25161 1 61 . 1 1 14 14 VAL HB H 1 1.9340 0.02 . 1 . . . . 14 VAL HB . 25161 1 62 . 1 1 14 14 VAL HG22 H 1 0.7640 0.02 . 2 . . . . 14 VAL HG21 . 25161 1 63 . 1 1 14 14 VAL HG23 H 1 0.7640 0.02 . 2 . . . . 14 VAL HG21 . 25161 1 64 . 1 1 14 14 VAL HG21 H 1 0.7640 0.02 . 2 . . . . 14 VAL HG21 . 25161 1 65 . 1 1 14 14 VAL HG12 H 1 0.8603 0.02 . 2 . . . . 14 VAL HG11 . 25161 1 66 . 1 1 14 14 VAL HG11 H 1 0.8603 0.02 . 2 . . . . 14 VAL HG11 . 25161 1 67 . 1 1 14 14 VAL HG13 H 1 0.8603 0.02 . 2 . . . . 14 VAL HG11 . 25161 1 68 . 1 1 15 15 TYR H H 1 8.2082 0.02 . 1 . . . . 15 TYR H . 25161 1 69 . 1 1 15 15 TYR HA H 1 4.4687 0.02 . 1 . . . . 15 TYR HA . 25161 1 70 . 1 1 15 15 TYR HB3 H 1 2.9418 0.02 . 2 . . . . 15 TYR HB2 . 25161 1 71 . 1 1 15 15 TYR HB2 H 1 3.0241 0.02 . 2 . . . . 15 TYR HB1 . 25161 1 72 . 1 1 15 15 TYR HD1 H 1 7.0892 0.02 . 3 . . . . 15 TYR HD1 . 25161 1 73 . 1 1 15 15 TYR HE1 H 1 6.8202 0.02 . 3 . . . . 15 TYR HE1 . 25161 1 74 . 1 1 16 16 DAL H H 1 7.8820 0.02 . 1 . . . . 16 DAL H . 25161 1 75 . 1 1 16 16 DAL HA H 1 4.1676 0.02 . 1 . . . . 16 DAL HA . 25161 1 76 . 1 1 16 16 DAL HB1 H 1 1.1568 0.02 . 1 . . . . 16 DAL HB1 . 25161 1 77 . 1 1 17 17 VAL H H 1 7.8316 0.02 . 1 . . . . 17 VAL H . 25161 1 78 . 1 1 17 17 VAL HA H 1 4.0672 0.02 . 1 . . . . 17 VAL HA . 25161 1 79 . 1 1 17 17 VAL HB H 1 2.0596 0.02 . 1 . . . . 17 VAL HB . 25161 1 80 . 1 1 17 17 VAL HG11 H 1 0.8828 0.02 . 2 . . . . 17 VAL HG11 . 25161 1 81 . 1 1 17 17 VAL HG13 H 1 0.8828 0.02 . 2 . . . . 17 VAL HG11 . 25161 1 82 . 1 1 17 17 VAL HG12 H 1 0.8828 0.02 . 2 . . . . 17 VAL HG11 . 25161 1 83 . 1 1 18 18 MET H H 1 8.3419 0.02 . 1 . . . . 18 MET H . 25161 1 84 . 1 1 18 18 MET HA H 1 4.4781 0.02 . 1 . . . . 18 MET HA . 25161 1 85 . 1 1 18 18 MET HB2 H 1 2.0090 0.02 . 2 . . . . 18 MET HB1 . 25161 1 86 . 1 1 18 18 MET HG3 H 1 2.4800 0.02 . 2 . . . . 18 MET HG2 . 25161 1 87 . 1 1 18 18 MET HG2 H 1 2.5577 0.02 . 2 . . . . 18 MET HG1 . 25161 1 88 . 1 1 19 19 VAL H H 1 8.1329 0.02 . 1 . . . . 19 VAL H . 25161 1 89 . 1 1 19 19 VAL HA H 1 4.1162 0.02 . 1 . . . . 19 VAL HA . 25161 1 90 . 1 1 19 19 VAL HB H 1 2.0070 0.02 . 1 . . . . 19 VAL HB . 25161 1 91 . 1 1 19 19 VAL HG12 H 1 0.8808 0.02 . 2 . . . . 19 VAL HG11 . 25161 1 92 . 1 1 19 19 VAL HG13 H 1 0.8808 0.02 . 2 . . . . 19 VAL HG11 . 25161 1 93 . 1 1 19 19 VAL HG11 H 1 0.8808 0.02 . 2 . . . . 19 VAL HG11 . 25161 1 94 . 1 1 20 20 VAL H H 1 8.1116 0.02 . 1 . . . . 20 VAL H . 25161 1 95 . 1 1 20 20 VAL HA H 1 4.1206 0.02 . 1 . . . . 20 VAL HA . 25161 1 96 . 1 1 20 20 VAL HB H 1 2.0455 0.02 . 1 . . . . 20 VAL HB . 25161 1 97 . 1 1 20 20 VAL HG11 H 1 0.9156 0.02 . 2 . . . . 20 VAL HG11 . 25161 1 98 . 1 1 20 20 VAL HG13 H 1 0.9156 0.02 . 2 . . . . 20 VAL HG11 . 25161 1 99 . 1 1 20 20 VAL HG12 H 1 0.9156 0.02 . 2 . . . . 20 VAL HG11 . 25161 1 100 . 1 1 21 21 DAL H H 1 8.4374 0.02 . 1 . . . . 21 DAL H . 25161 1 101 . 1 1 21 21 DAL HA H 1 4.3403 0.02 . 1 . . . . 21 DAL HA . 25161 1 102 . 1 1 21 21 DAL HB1 H 1 1.3854 0.02 . 1 . . . . 21 DAL HB1 . 25161 1 103 . 1 1 22 22 LYS H H 1 8.3879 0.02 . 1 . . . . 22 LYS H . 25161 1 104 . 1 1 22 22 LYS HA H 1 4.2563 0.02 . 1 . . . . 22 LYS HA . 25161 1 105 . 1 1 22 22 LYS HB3 H 1 1.7614 0.02 . 2 . . . . 22 LYS HB2 . 25161 1 106 . 1 1 22 22 LYS HB2 H 1 1.8677 0.02 . 2 . . . . 22 LYS HB1 . 25161 1 107 . 1 1 22 22 LYS HG2 H 1 1.4275 0.02 . 2 . . . . 22 LYS HG1 . 25161 1 108 . 1 1 22 22 LYS HD2 H 1 1.6739 0.02 . 2 . . . . 22 LYS HD1 . 25161 1 109 . 1 1 22 22 LYS HE2 H 1 2.9837 0.02 . 2 . . . . 22 LYS HE1 . 25161 1 110 . 1 1 23 23 ALA H H 1 8.3546 0.02 . 1 . . . . 23 ALA H . 25161 1 111 . 1 1 23 23 ALA HA H 1 4.3060 0.02 . 1 . . . . 23 ALA HA . 25161 1 112 . 1 1 23 23 ALA HB3 H 1 1.4365 0.02 . 1 . . . . 23 ALA HB1 . 25161 1 113 . 1 1 23 23 ALA HB2 H 1 1.4365 0.02 . 1 . . . . 23 ALA HB1 . 25161 1 114 . 1 1 23 23 ALA HB1 H 1 1.4365 0.02 . 1 . . . . 23 ALA HB1 . 25161 1 115 . 1 1 24 24 ALA H H 1 8.1620 0.02 . 1 . . . . 24 ALA H . 25161 1 116 . 1 1 24 24 ALA HA H 1 4.4601 0.02 . 1 . . . . 24 ALA HA . 25161 1 117 . 1 1 24 24 ALA HB2 H 1 2.9446 0.02 . 2 . . . . 24 ALA HB2 . 25161 1 118 . 1 1 24 24 ALA HB1 H 1 3.2118 0.02 . 2 . . . . 24 ALA HB1 . 25161 1 119 . 1 1 24 24 ALA HB3 H 1 3.2118 0.02 . 2 . . . . 24 ALA HB1 . 25161 1 120 . 1 1 25 25 DHA H H 1 9.4228 0.02 . 1 . . . . 25 DHA H . 25161 1 121 . 1 1 25 25 DHA HB2 H 1 5.4383 0.02 . 2 . . . . 25 DHA HB2 . 25161 1 122 . 1 1 25 25 DHA HB1 H 1 5.4824 0.02 . 2 . . . . 25 DHA HB1 . 25161 1 123 . 1 1 26 26 ALA H H 1 9.1103 0.02 . 1 . . . . 26 ALA H . 25161 1 124 . 1 1 26 26 ALA HA H 1 4.1947 0.02 . 1 . . . . 26 ALA HA . 25161 1 125 . 1 1 26 26 ALA HB3 H 1 1.5070 0.02 . 1 . . . . 26 ALA HB1 . 25161 1 126 . 1 1 26 26 ALA HB2 H 1 1.5070 0.02 . 1 . . . . 26 ALA HB1 . 25161 1 127 . 1 1 26 26 ALA HB1 H 1 1.5070 0.02 . 1 . . . . 26 ALA HB1 . 25161 1 128 . 1 1 27 27 LYS H H 1 8.2808 0.02 . 1 . . . . 27 LYS H . 25161 1 129 . 1 1 27 27 LYS HA H 1 4.2094 0.02 . 1 . . . . 27 LYS HA . 25161 1 130 . 1 1 27 27 LYS HB2 H 1 1.9789 0.02 . 2 . . . . 27 LYS HB1 . 25161 1 131 . 1 1 27 27 LYS HG3 H 1 1.4717 0.02 . 2 . . . . 27 LYS HG2 . 25161 1 132 . 1 1 27 27 LYS HG2 H 1 1.5570 0.02 . 2 . . . . 27 LYS HG1 . 25161 1 133 . 1 1 27 27 LYS HD2 H 1 1.7058 0.02 . 2 . . . . 27 LYS HD1 . 25161 1 134 . 1 1 27 27 LYS HE2 H 1 3.0052 0.02 . 2 . . . . 27 LYS HE1 . 25161 1 135 . 1 1 28 28 CYS H H 1 7.7730 0.02 . 1 . . . . 28 CYS H . 25161 1 136 . 1 1 28 28 CYS HA H 1 4.4238 0.02 . 1 . . . . 28 CYS HA . 25161 1 137 . 1 1 28 28 CYS HB2 H 1 2.9913 0.02 . 2 . . . . 28 CYS HB1 . 25161 1 138 . 1 1 29 29 ALA H H 1 7.9806 0.02 . 1 . . . . 29 ALA H . 25161 1 139 . 1 1 29 29 ALA HA H 1 4.2864 0.02 . 1 . . . . 29 ALA HA . 25161 1 140 . 1 1 29 29 ALA HB3 H 1 1.4265 0.02 . 1 . . . . 29 ALA HB1 . 25161 1 141 . 1 1 29 29 ALA HB1 H 1 1.4265 0.02 . 1 . . . . 29 ALA HB1 . 25161 1 142 . 1 1 29 29 ALA HB2 H 1 1.4265 0.02 . 1 . . . . 29 ALA HB1 . 25161 1 143 . 1 1 30 30 ALA H H 1 7.9795 0.02 . 1 . . . . 30 ALA H . 25161 1 144 . 1 1 30 30 ALA HA H 1 4.2864 0.02 . 1 . . . . 30 ALA HA . 25161 1 145 . 1 1 30 30 ALA HB1 H 1 1.4260 0.02 . 1 . . . . 30 ALA HB1 . 25161 1 146 . 1 1 30 30 ALA HB2 H 1 1.4260 0.02 . 1 . . . . 30 ALA HB1 . 25161 1 147 . 1 1 30 30 ALA HB3 H 1 1.4260 0.02 . 1 . . . . 30 ALA HB1 . 25161 1 148 . 1 1 31 31 GLY H H 1 8.0875 0.02 . 1 . . . . 31 GLY H . 25161 1 149 . 1 1 31 31 GLY HA2 H 1 3.9210 0.02 . 2 . . . . 31 GLY HA1 . 25161 1 150 . 1 1 32 32 ALA H H 1 7.9701 0.02 . 1 . . . . 32 ALA H . 25161 1 151 . 1 1 32 32 ALA HA H 1 4.2864 0.02 . 1 . . . . 32 ALA HA . 25161 1 152 . 1 1 32 32 ALA HB2 H 1 1.3842 0.02 . 1 . . . . 32 ALA HB1 . 25161 1 153 . 1 1 32 32 ALA HB3 H 1 1.3842 0.02 . 1 . . . . 32 ALA HB1 . 25161 1 154 . 1 1 32 32 ALA HB1 H 1 1.3842 0.02 . 1 . . . . 32 ALA HB1 . 25161 1 155 . 1 1 33 33 DAL H H 1 8.2136 0.02 . 1 . . . . 33 DAL H . 25161 1 156 . 1 1 33 33 DAL HA H 1 4.2630 0.02 . 1 . . . . 33 DAL HA . 25161 1 157 . 1 1 33 33 DAL HB1 H 1 1.3887 0.02 . 1 . . . . 33 DAL HB1 . 25161 1 158 . 1 1 34 34 ALA H H 1 8.0455 0.02 . 1 . . . . 34 ALA H . 25161 1 159 . 1 1 34 34 ALA HA H 1 4.3485 0.02 . 1 . . . . 34 ALA HA . 25161 1 160 . 1 1 34 34 ALA HB1 H 1 1.3222 0.02 . 1 . . . . 34 ALA HB1 . 25161 1 161 . 1 1 34 34 ALA HB2 H 1 1.3222 0.02 . 1 . . . . 34 ALA HB1 . 25161 1 162 . 1 1 34 34 ALA HB3 H 1 1.3222 0.02 . 1 . . . . 34 ALA HB1 . 25161 1 163 . 1 1 35 35 VAL H H 1 8.0809 0.02 . 1 . . . . 35 VAL H . 25161 1 164 . 1 1 35 35 VAL HA H 1 4.1138 0.02 . 1 . . . . 35 VAL HA . 25161 1 165 . 1 1 35 35 VAL HB H 1 2.0677 0.02 . 1 . . . . 35 VAL HB . 25161 1 166 . 1 1 35 35 VAL HG13 H 1 0.9343 0.02 . 2 . . . . 35 VAL HG11 . 25161 1 167 . 1 1 35 35 VAL HG11 H 1 0.9343 0.02 . 2 . . . . 35 VAL HG11 . 25161 1 168 . 1 1 35 35 VAL HG12 H 1 0.9343 0.02 . 2 . . . . 35 VAL HG11 . 25161 1 169 . 1 1 36 36 DAL H H 1 8.5437 0.02 . 1 . . . . 36 DAL H . 25161 1 170 . 1 1 36 36 DAL HA H 1 4.3012 0.02 . 1 . . . . 36 DAL HA . 25161 1 171 . 1 1 36 36 DAL HB1 H 1 1.4019 0.02 . 1 . . . . 36 DAL HB1 . 25161 1 172 . 1 1 37 37 GLY H H 1 8.3780 0.02 . 1 . . . . 37 GLY H . 25161 1 173 . 1 1 37 37 GLY HA2 H 1 3.9057 0.02 . 2 . . . . 37 GLY HA1 . 25161 1 174 . 1 1 38 38 ALA H H 1 8.0009 0.02 . 1 . . . . 38 ALA H . 25161 1 175 . 1 1 38 38 ALA HA H 1 4.3584 0.02 . 1 . . . . 38 ALA HA . 25161 1 176 . 1 1 38 38 ALA HB3 H 1 1.3788 0.02 . 1 . . . . 38 ALA HB1 . 25161 1 177 . 1 1 38 38 ALA HB2 H 1 1.3788 0.02 . 1 . . . . 38 ALA HB1 . 25161 1 178 . 1 1 38 38 ALA HB1 H 1 1.3788 0.02 . 1 . . . . 38 ALA HB1 . 25161 1 179 . 1 1 39 39 ILE H H 1 7.9814 0.02 . 1 . . . . 39 ILE H . 25161 1 180 . 1 1 39 39 ILE HA H 1 4.1224 0.02 . 1 . . . . 39 ILE HA . 25161 1 181 . 1 1 39 39 ILE HB H 1 1.8415 0.02 . 1 . . . . 39 ILE HB . 25161 1 182 . 1 1 39 39 ILE HG12 H 1 1.4541 0.02 . 2 . . . . 39 ILE HG11 . 25161 1 183 . 1 1 39 39 ILE HD13 H 1 0.8605 0.02 . 1 . . . . 39 ILE HD11 . 25161 1 184 . 1 1 39 39 ILE HD12 H 1 0.8605 0.02 . 1 . . . . 39 ILE HD11 . 25161 1 185 . 1 1 39 39 ILE HD11 H 1 0.8605 0.02 . 1 . . . . 39 ILE HD11 . 25161 1 186 . 1 1 39 39 ILE HG21 H 1 0.8835 0.02 . 1 . . . . 39 ILE HG21 . 25161 1 187 . 1 1 39 39 ILE HG22 H 1 0.8835 0.02 . 1 . . . . 39 ILE HG21 . 25161 1 188 . 1 1 39 39 ILE HG23 H 1 0.8835 0.02 . 1 . . . . 39 ILE HG21 . 25161 1 189 . 1 1 40 40 LEU H H 1 8.3402 0.02 . 1 . . . . 40 LEU H . 25161 1 190 . 1 1 40 40 LEU HA H 1 4.4775 0.02 . 1 . . . . 40 LEU HA . 25161 1 191 . 1 1 40 40 LEU HB2 H 1 1.6469 0.02 . 2 . . . . 40 LEU HB1 . 25161 1 192 . 1 1 40 40 LEU HG H 1 2.0568 0.02 . 1 . . . . 40 LEU HG . 25161 1 193 . 1 1 40 40 LEU HD12 H 1 0.9502 0.02 . 2 . . . . 40 LEU HD11 . 25161 1 194 . 1 1 40 40 LEU HD13 H 1 0.9502 0.02 . 2 . . . . 40 LEU HD11 . 25161 1 195 . 1 1 40 40 LEU HD11 H 1 0.9502 0.02 . 2 . . . . 40 LEU HD11 . 25161 1 196 . 1 1 41 41 DAL H H 1 8.9331 0.02 . 1 . . . . 41 DAL H . 25161 1 197 . 1 1 41 41 DAL HA H 1 4.5750 0.02 . 1 . . . . 41 DAL HA . 25161 1 198 . 1 1 41 41 DAL HB2 H 1 2.8840 0.02 . 2 . . . . 41 DAL HB2 . 25161 1 199 . 1 1 41 41 DAL HB1 H 1 3.2467 0.02 . 2 . . . . 41 DAL HB1 . 25161 1 200 . 1 1 42 42 ALA H H 1 7.9929 0.02 . 1 . . . . 42 ALA H . 25161 1 201 . 1 1 42 42 ALA HA H 1 4.2734 0.02 . 1 . . . . 42 ALA HA . 25161 1 202 . 1 1 42 42 ALA HB1 H 1 1.4273 0.02 . 1 . . . . 42 ALA HB1 . 25161 1 203 . 1 1 42 42 ALA HB3 H 1 1.4273 0.02 . 1 . . . . 42 ALA HB1 . 25161 1 204 . 1 1 42 42 ALA HB2 H 1 1.4273 0.02 . 1 . . . . 42 ALA HB1 . 25161 1 205 . 1 1 43 43 ILE H H 1 7.8538 0.02 . 1 . . . . 43 ILE H . 25161 1 206 . 1 1 43 43 ILE HA H 1 4.1812 0.02 . 1 . . . . 43 ILE HA . 25161 1 207 . 1 1 43 43 ILE HB H 1 1.9051 0.02 . 1 . . . . 43 ILE HB . 25161 1 208 . 1 1 43 43 ILE HG13 H 1 1.1425 0.02 . 2 . . . . 43 ILE HG12 . 25161 1 209 . 1 1 43 43 ILE HG12 H 1 1.4616 0.02 . 2 . . . . 43 ILE HG11 . 25161 1 210 . 1 1 43 43 ILE HD13 H 1 0.8834 0.02 . 1 . . . . 43 ILE HD11 . 25161 1 211 . 1 1 43 43 ILE HD12 H 1 0.8834 0.02 . 1 . . . . 43 ILE HD11 . 25161 1 212 . 1 1 43 43 ILE HD11 H 1 0.8834 0.02 . 1 . . . . 43 ILE HD11 . 25161 1 213 . 1 1 43 43 ILE HG22 H 1 0.9012 0.02 . 1 . . . . 43 ILE HG21 . 25161 1 214 . 1 1 43 43 ILE HG23 H 1 0.9012 0.02 . 1 . . . . 43 ILE HG21 . 25161 1 215 . 1 1 43 43 ILE HG21 H 1 0.9012 0.02 . 1 . . . . 43 ILE HG21 . 25161 1 216 . 1 1 44 44 ARG H H 1 8.3115 0.02 . 1 . . . . 44 ARG H . 25161 1 217 . 1 1 44 44 ARG HA H 1 4.2316 0.02 . 1 . . . . 44 ARG HA . 25161 1 218 . 1 1 44 44 ARG HB3 H 1 1.7976 0.02 . 2 . . . . 44 ARG HB2 . 25161 1 219 . 1 1 44 44 ARG HB2 H 1 1.9161 0.02 . 2 . . . . 44 ARG HB1 . 25161 1 220 . 1 1 44 44 ARG HG2 H 1 1.6152 0.02 . 2 . . . . 44 ARG HG1 . 25161 1 221 . 1 1 44 44 ARG HD2 H 1 3.2126 0.02 . 2 . . . . 44 ARG HD1 . 25161 1 222 . 1 1 45 45 CYS H H 1 8.1810 0.02 . 1 . . . . 45 CYS H . 25161 1 223 . 1 1 45 45 CYS HA H 1 4.4640 0.02 . 1 . . . . 45 CYS HA . 25161 1 224 . 1 1 45 45 CYS HB3 H 1 2.9367 0.02 . 2 . . . . 45 CYS HB2 . 25161 1 225 . 1 1 45 45 CYS HB2 H 1 3.1059 0.02 . 2 . . . . 45 CYS HB1 . 25161 1 stop_ save_