################################### # 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 25670 _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' . . . 25670 1 2 '2D 1H-1H NOESY' . . . 25670 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 LYS HA H 1 3.9610 0.02 . 1 . . . A 1 LYS HA . 25670 1 2 . 1 1 1 1 LYS HB2 H 1 1.8560 0.02 . 1 . . . A 1 LYS HB2 . 25670 1 3 . 1 1 1 1 LYS HB3 H 1 1.8100 0.02 . 1 . . . A 1 LYS HB3 . 25670 1 4 . 1 1 1 1 LYS HG2 H 1 1.3030 0.02 . 1 . . . A 1 LYS HG2 . 25670 1 5 . 1 1 1 1 LYS HG3 H 1 1.2250 0.02 . 1 . . . A 1 LYS HG3 . 25670 1 6 . 1 1 1 1 LYS HD3 H 1 1.6790 0.02 . 1 . . . A 1 LYS HD3 . 25670 1 7 . 1 1 1 1 LYS HE2 H 1 2.9340 0.02 . 1 . . . A 1 LYS HE2 . 25670 1 8 . 1 1 2 2 TYR H H 1 8.5940 0.02 . 1 . . . A 2 TYR H . 25670 1 9 . 1 1 2 2 TYR HB2 H 1 3.0210 0.02 . 1 . . . A 2 TYR HB2 . 25670 1 10 . 1 1 2 2 TYR HB3 H 1 2.9440 0.02 . 1 . . . A 2 TYR HB3 . 25670 1 11 . 1 1 2 2 TYR HD1 H 1 7.1610 0.02 . 1 . . . A 2 TYR HD1 . 25670 1 12 . 1 1 2 2 TYR HD2 H 1 7.1600 0.02 . 1 . . . A 2 TYR HD2 . 25670 1 13 . 1 1 2 2 TYR HE1 H 1 6.8160 0.02 . 1 . . . A 2 TYR HE1 . 25670 1 14 . 1 1 2 2 TYR HE2 H 1 6.8170 0.02 . 1 . . . A 2 TYR HE2 . 25670 1 15 . 1 1 3 3 TYR H H 1 8.2840 0.02 . 1 . . . A 3 TYR H . 25670 1 16 . 1 1 3 3 TYR HA H 1 4.5330 0.02 . 1 . . . A 3 TYR HA . 25670 1 17 . 1 1 3 3 TYR HB2 H 1 3.0970 0.02 . 1 . . . A 3 TYR HB2 . 25670 1 18 . 1 1 3 3 TYR HB3 H 1 2.7540 0.02 . 1 . . . A 3 TYR HB3 . 25670 1 19 . 1 1 3 3 TYR HD1 H 1 7.1120 0.02 . 1 . . . A 3 TYR HD1 . 25670 1 20 . 1 1 3 3 TYR HD2 H 1 7.1080 0.02 . 1 . . . A 3 TYR HD2 . 25670 1 21 . 1 1 3 3 TYR HE1 H 1 6.7990 0.02 . 1 . . . A 3 TYR HE1 . 25670 1 22 . 1 1 3 3 TYR HE2 H 1 6.8020 0.02 . 1 . . . A 3 TYR HE2 . 25670 1 23 . 1 1 4 4 GLY H H 1 6.9580 0.02 . 1 . . . A 4 GLY H . 25670 1 24 . 1 1 4 4 GLY HA2 H 1 4.0350 0.02 . 1 . . . A 4 GLY HA2 . 25670 1 25 . 1 1 4 4 GLY HA3 H 1 3.7480 0.02 . 1 . . . A 4 GLY HA3 . 25670 1 26 . 1 1 5 5 ASN H H 1 8.3480 0.02 . 1 . . . A 5 ASN H . 25670 1 27 . 1 1 5 5 ASN HA H 1 4.6970 0.02 . 1 . . . A 5 ASN HA . 25670 1 28 . 1 1 5 5 ASN HB2 H 1 2.8740 0.02 . 1 . . . A 5 ASN HB2 . 25670 1 29 . 1 1 5 5 ASN HB3 H 1 2.8740 0.02 . 1 . . . A 5 ASN HB3 . 25670 1 30 . 1 1 5 5 ASN HD21 H 1 7.4360 0.02 . 1 . . . A 5 ASN HD21 . 25670 1 31 . 1 1 5 5 ASN HD22 H 1 6.7360 0.02 . 1 . . . A 5 ASN HD22 . 25670 1 32 . 1 1 6 6 GLY H H 1 8.3580 0.02 . 1 . . . A 6 GLY H . 25670 1 33 . 1 1 6 6 GLY HA2 H 1 4.0400 0.02 . 1 . . . A 6 GLY HA2 . 25670 1 34 . 1 1 6 6 GLY HA3 H 1 3.8430 0.02 . 1 . . . A 6 GLY HA3 . 25670 1 35 . 1 1 7 7 VAL H H 1 7.7680 0.02 . 1 . . . A 7 VAL H . 25670 1 36 . 1 1 7 7 VAL HA H 1 4.4250 0.02 . 1 . . . A 7 VAL HA . 25670 1 37 . 1 1 7 7 VAL HB H 1 2.0640 0.02 . 1 . . . A 7 VAL HB . 25670 1 38 . 1 1 7 7 VAL HG11 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG11 . 25670 1 39 . 1 1 7 7 VAL HG12 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG12 . 25670 1 40 . 1 1 7 7 VAL HG13 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG13 . 25670 1 41 . 1 1 7 7 VAL HG21 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG21 . 25670 1 42 . 1 1 7 7 VAL HG22 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG22 . 25670 1 43 . 1 1 7 7 VAL HG23 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG23 . 25670 1 44 . 1 1 8 8 SER H H 1 8.5480 0.02 . 1 . . . A 8 SER H . 25670 1 45 . 1 1 8 8 SER HA H 1 4.9290 0.02 . 1 . . . A 8 SER HA . 25670 1 46 . 1 1 8 8 SER HB2 H 1 3.8330 0.02 . 1 . . . A 8 SER HB2 . 25670 1 47 . 1 1 8 8 SER HB3 H 1 3.8330 0.02 . 1 . . . A 8 SER HB3 . 25670 1 48 . 1 1 9 9 CYS H H 1 8.6000 0.02 . 1 . . . A 9 CYS H . 25670 1 49 . 1 1 9 9 CYS HA H 1 5.4070 0.02 . 1 . . . A 9 CYS HA . 25670 1 50 . 1 1 9 9 CYS HB2 H 1 3.0640 0.02 . 1 . . . A 9 CYS HB2 . 25670 1 51 . 1 1 9 9 CYS HB3 H 1 3.0640 0.02 . 1 . . . A 9 CYS HB3 . 25670 1 52 . 1 1 10 10 ASN H H 1 8.8970 0.02 . 1 . . . A 10 ASN H . 25670 1 53 . 1 1 10 10 ASN HA H 1 4.8250 0.02 . 1 . . . A 10 ASN HA . 25670 1 54 . 1 1 10 10 ASN HB2 H 1 3.2850 0.02 . 1 . . . A 10 ASN HB2 . 25670 1 55 . 1 1 10 10 ASN HB3 H 1 2.9820 0.02 . 1 . . . A 10 ASN HB3 . 25670 1 56 . 1 1 10 10 ASN HD21 H 1 7.5460 0.02 . 1 . . . A 10 ASN HD21 . 25670 1 57 . 1 1 10 10 ASN HD22 H 1 6.6450 0.02 . 1 . . . A 10 ASN HD22 . 25670 1 58 . 1 1 11 11 LYS H H 1 8.1720 0.02 . 1 . . . A 11 LYS H . 25670 1 59 . 1 1 11 11 LYS HA H 1 4.2100 0.02 . 1 . . . A 11 LYS HA . 25670 1 60 . 1 1 11 11 LYS HB2 H 1 1.9100 0.02 . 1 . . . A 11 LYS HB2 . 25670 1 61 . 1 1 11 11 LYS HB3 H 1 1.8490 0.02 . 1 . . . A 11 LYS HB3 . 25670 1 62 . 1 1 11 11 LYS HG2 H 1 1.5470 0.02 . 1 . . . A 11 LYS HG2 . 25670 1 63 . 1 1 11 11 LYS HD2 H 1 1.7630 0.02 . 1 . . . A 11 LYS HD2 . 25670 1 64 . 1 1 11 11 LYS HE2 H 1 3.0500 0.02 . 1 . . . A 11 LYS HE2 . 25670 1 65 . 1 1 12 12 LYS H H 1 8.2620 0.02 . 1 . . . A 12 LYS H . 25670 1 66 . 1 1 12 12 LYS HA H 1 4.3440 0.02 . 1 . . . A 12 LYS HA . 25670 1 67 . 1 1 12 12 LYS HB2 H 1 1.9730 0.02 . 1 . . . A 12 LYS HB2 . 25670 1 68 . 1 1 12 12 LYS HB3 H 1 1.8510 0.02 . 1 . . . A 12 LYS HB3 . 25670 1 69 . 1 1 12 12 LYS HG2 H 1 1.4980 0.02 . 1 . . . A 12 LYS HG2 . 25670 1 70 . 1 1 12 12 LYS HD2 H 1 1.7240 0.02 . 1 . . . A 12 LYS HD2 . 25670 1 71 . 1 1 12 12 LYS HE2 H 1 3.0130 0.02 . 1 . . . A 12 LYS HE2 . 25670 1 72 . 1 1 13 13 GLY H H 1 7.9600 0.02 . 1 . . . A 13 GLY H . 25670 1 73 . 1 1 13 13 GLY HA2 H 1 4.4430 0.02 . 1 . . . A 13 GLY HA2 . 25670 1 74 . 1 1 13 13 GLY HA3 H 1 3.9300 0.02 . 1 . . . A 13 GLY HA3 . 25670 1 75 . 1 1 14 14 CYS H H 1 8.2960 0.02 . 1 . . . A 14 CYS H . 25670 1 76 . 1 1 14 14 CYS HA H 1 5.4490 0.02 . 1 . . . A 14 CYS HA . 25670 1 77 . 1 1 14 14 CYS HB2 H 1 3.0120 0.02 . 1 . . . A 14 CYS HB2 . 25670 1 78 . 1 1 14 14 CYS HB3 H 1 2.9440 0.02 . 1 . . . A 14 CYS HB3 . 25670 1 79 . 1 1 15 15 SER H H 1 8.8530 0.02 . 1 . . . A 15 SER H . 25670 1 80 . 1 1 15 15 SER HA H 1 4.6280 0.02 . 1 . . . A 15 SER HA . 25670 1 81 . 1 1 15 15 SER HB2 H 1 3.8750 0.02 . 1 . . . A 15 SER HB2 . 25670 1 82 . 1 1 15 15 SER HB3 H 1 3.8140 0.02 . 1 . . . A 15 SER HB3 . 25670 1 83 . 1 1 16 16 VAL H H 1 7.9870 0.02 . 1 . . . A 16 VAL H . 25670 1 84 . 1 1 16 16 VAL HA H 1 4.2400 0.02 . 1 . . . A 16 VAL HA . 25670 1 85 . 1 1 16 16 VAL HB H 1 1.6410 0.02 . 1 . . . A 16 VAL HB . 25670 1 86 . 1 1 16 16 VAL HG11 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG11 . 25670 1 87 . 1 1 16 16 VAL HG12 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG12 . 25670 1 88 . 1 1 16 16 VAL HG13 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG13 . 25670 1 89 . 1 1 16 16 VAL HG21 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG21 . 25670 1 90 . 1 1 16 16 VAL HG22 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG22 . 25670 1 91 . 1 1 16 16 VAL HG23 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG23 . 25670 1 92 . 1 1 17 17 ASP H H 1 8.3970 0.02 . 1 . . . A 17 ASP H . 25670 1 93 . 1 1 17 17 ASP HB2 H 1 2.9230 0.02 . 1 . . . A 17 ASP HB2 . 25670 1 94 . 1 1 17 17 ASP HB3 H 1 2.6830 0.02 . 1 . . . A 17 ASP HB3 . 25670 1 95 . 1 1 18 18 TRP H H 1 8.0130 0.02 . 1 . . . A 18 TRP H . 25670 1 96 . 1 1 18 18 TRP HA H 1 4.4880 0.02 . 1 . . . A 18 TRP HA . 25670 1 97 . 1 1 18 18 TRP HB2 H 1 3.3850 0.02 . 1 . . . A 18 TRP HB2 . 25670 1 98 . 1 1 18 18 TRP HB3 H 1 3.2480 0.02 . 1 . . . A 18 TRP HB3 . 25670 1 99 . 1 1 18 18 TRP HD1 H 1 7.2980 0.02 . 1 . . . A 18 TRP HD1 . 25670 1 100 . 1 1 18 18 TRP HE1 H 1 9.8580 0.02 . 1 . . . A 18 TRP HE1 . 25670 1 101 . 1 1 18 18 TRP HE3 H 1 7.5460 0.02 . 1 . . . A 18 TRP HE3 . 25670 1 102 . 1 1 18 18 TRP HZ2 H 1 7.4470 0.02 . 1 . . . A 18 TRP HZ2 . 25670 1 103 . 1 1 18 18 TRP HZ3 H 1 7.0780 0.02 . 1 . . . A 18 TRP HZ3 . 25670 1 104 . 1 1 18 18 TRP HH2 H 1 7.1870 0.02 . 1 . . . A 18 TRP HH2 . 25670 1 105 . 1 1 19 19 GLY H H 1 8.3250 0.02 . 1 . . . A 19 GLY H . 25670 1 106 . 1 1 19 19 GLY HA2 H 1 3.9010 0.02 . 1 . . . A 19 GLY HA2 . 25670 1 107 . 1 1 19 19 GLY HA3 H 1 3.8110 0.02 . 1 . . . A 19 GLY HA3 . 25670 1 108 . 1 1 20 20 LYS H H 1 7.7000 0.02 . 1 . . . A 20 LYS H . 25670 1 109 . 1 1 20 20 LYS HA H 1 4.2630 0.02 . 1 . . . A 20 LYS HA . 25670 1 110 . 1 1 20 20 LYS HB2 H 1 1.8290 0.02 . 1 . . . A 20 LYS HB2 . 25670 1 111 . 1 1 20 20 LYS HB3 H 1 1.8850 0.02 . 1 . . . A 20 LYS HB3 . 25670 1 112 . 1 1 20 20 LYS HG2 H 1 1.5150 0.02 . 1 . . . A 20 LYS HG2 . 25670 1 113 . 1 1 20 20 LYS HG3 H 1 1.4220 0.02 . 1 . . . A 20 LYS HG3 . 25670 1 114 . 1 1 20 20 LYS HD2 H 1 1.7050 0.02 . 1 . . . A 20 LYS HD2 . 25670 1 115 . 1 1 20 20 LYS HE2 H 1 2.9900 0.02 . 1 . . . A 20 LYS HE2 . 25670 1 116 . 1 1 21 21 ALA H H 1 7.9920 0.02 . 1 . . . A 21 ALA H . 25670 1 117 . 1 1 21 21 ALA HA H 1 4.2100 0.02 . 1 . . . A 21 ALA HA . 25670 1 118 . 1 1 21 21 ALA HB1 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB1 . 25670 1 119 . 1 1 21 21 ALA HB2 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB2 . 25670 1 120 . 1 1 21 21 ALA HB3 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB3 . 25670 1 121 . 1 1 22 22 ILE H H 1 7.9720 0.02 . 1 . . . A 22 ILE H . 25670 1 122 . 1 1 22 22 ILE HA H 1 4.0270 0.02 . 1 . . . A 22 ILE HA . 25670 1 123 . 1 1 22 22 ILE HB H 1 1.9100 0.02 . 1 . . . A 22 ILE HB . 25670 1 124 . 1 1 22 22 ILE HG12 H 1 1.5580 0.02 . 1 . . . A 22 ILE HG12 . 25670 1 125 . 1 1 22 22 ILE HG13 H 1 1.2800 0.02 . 1 . . . A 22 ILE HG13 . 25670 1 126 . 1 1 22 22 ILE HG21 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG21 . 25670 1 127 . 1 1 22 22 ILE HG22 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG22 . 25670 1 128 . 1 1 22 22 ILE HG23 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG23 . 25670 1 129 . 1 1 22 22 ILE HD11 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD11 . 25670 1 130 . 1 1 22 22 ILE HD12 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD12 . 25670 1 131 . 1 1 22 22 ILE HD13 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD13 . 25670 1 132 . 1 1 23 23 GLY H H 1 7.9140 0.02 . 1 . . . A 23 GLY H . 25670 1 133 . 1 1 23 23 GLY HA2 H 1 3.9290 0.02 . 1 . . . A 23 GLY HA2 . 25670 1 134 . 1 1 23 23 GLY HA3 H 1 3.9290 0.02 . 1 . . . A 23 GLY HA3 . 25670 1 135 . 1 1 24 24 ILE H H 1 7.7600 0.02 . 1 . . . A 24 ILE H . 25670 1 136 . 1 1 24 24 ILE HA H 1 4.0650 0.02 . 1 . . . A 24 ILE HA . 25670 1 137 . 1 1 24 24 ILE HB H 1 1.9740 0.02 . 1 . . . A 24 ILE HB . 25670 1 138 . 1 1 24 24 ILE HG12 H 1 1.6320 0.02 . 1 . . . A 24 ILE HG12 . 25670 1 139 . 1 1 24 24 ILE HG13 H 1 1.1900 0.02 . 1 . . . A 24 ILE HG13 . 25670 1 140 . 1 1 24 24 ILE HG21 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG21 . 25670 1 141 . 1 1 24 24 ILE HG22 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG22 . 25670 1 142 . 1 1 24 24 ILE HG23 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG23 . 25670 1 143 . 1 1 24 24 ILE HD11 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD11 . 25670 1 144 . 1 1 24 24 ILE HD12 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD12 . 25670 1 145 . 1 1 24 24 ILE HD13 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD13 . 25670 1 146 . 1 1 25 25 ILE H H 1 8.0630 0.02 . 1 . . . A 25 ILE H . 25670 1 147 . 1 1 25 25 ILE HA H 1 3.9950 0.02 . 1 . . . A 25 ILE HA . 25670 1 148 . 1 1 25 25 ILE HB H 1 1.9180 0.02 . 1 . . . A 25 ILE HB . 25670 1 149 . 1 1 25 25 ILE HG12 H 1 1.6420 0.02 . 1 . . . A 25 ILE HG12 . 25670 1 150 . 1 1 25 25 ILE HG13 H 1 1.2020 0.02 . 1 . . . A 25 ILE HG13 . 25670 1 151 . 1 1 25 25 ILE HG21 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG21 . 25670 1 152 . 1 1 25 25 ILE HG22 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG22 . 25670 1 153 . 1 1 25 25 ILE HG23 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG23 . 25670 1 154 . 1 1 25 25 ILE HD11 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD11 . 25670 1 155 . 1 1 25 25 ILE HD12 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD12 . 25670 1 156 . 1 1 25 25 ILE HD13 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD13 . 25670 1 157 . 1 1 26 26 GLY H H 1 8.3610 0.02 . 1 . . . A 26 GLY H . 25670 1 158 . 1 1 26 26 GLY HA2 H 1 3.9510 0.02 . 1 . . . A 26 GLY HA2 . 25670 1 159 . 1 1 26 26 GLY HA3 H 1 3.9490 0.02 . 1 . . . A 26 GLY HA3 . 25670 1 160 . 1 1 27 27 ASN H H 1 8.0640 0.02 . 1 . . . A 27 ASN H . 25670 1 161 . 1 1 27 27 ASN HA H 1 4.6770 0.02 . 1 . . . A 27 ASN HA . 25670 1 162 . 1 1 27 27 ASN HB2 H 1 2.8610 0.02 . 1 . . . A 27 ASN HB2 . 25670 1 163 . 1 1 27 27 ASN HB3 H 1 2.8610 0.02 . 1 . . . A 27 ASN HB3 . 25670 1 164 . 1 1 27 27 ASN HD21 H 1 7.5100 0.02 . 1 . . . A 27 ASN HD21 . 25670 1 165 . 1 1 27 27 ASN HD22 H 1 6.7410 0.02 . 1 . . . A 27 ASN HD22 . 25670 1 166 . 1 1 28 28 ASN H H 1 8.2890 0.02 . 1 . . . A 28 ASN H . 25670 1 167 . 1 1 28 28 ASN HA H 1 4.6290 0.02 . 1 . . . A 28 ASN HA . 25670 1 168 . 1 1 28 28 ASN HB2 H 1 2.8470 0.02 . 1 . . . A 28 ASN HB2 . 25670 1 169 . 1 1 28 28 ASN HB3 H 1 2.8470 0.02 . 1 . . . A 28 ASN HB3 . 25670 1 170 . 1 1 28 28 ASN HD21 H 1 7.4880 0.02 . 1 . . . A 28 ASN HD21 . 25670 1 171 . 1 1 28 28 ASN HD22 H 1 6.7610 0.02 . 1 . . . A 28 ASN HD22 . 25670 1 172 . 1 1 29 29 ALA H H 1 8.3480 0.02 . 1 . . . A 29 ALA H . 25670 1 173 . 1 1 29 29 ALA HA H 1 4.2150 0.02 . 1 . . . A 29 ALA HA . 25670 1 174 . 1 1 29 29 ALA HB1 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB1 . 25670 1 175 . 1 1 29 29 ALA HB2 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB2 . 25670 1 176 . 1 1 29 29 ALA HB3 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB3 . 25670 1 177 . 1 1 30 30 ALA H H 1 8.0800 0.02 . 1 . . . A 30 ALA H . 25670 1 178 . 1 1 30 30 ALA HA H 1 4.1840 0.02 . 1 . . . A 30 ALA HA . 25670 1 179 . 1 1 30 30 ALA HB1 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB1 . 25670 1 180 . 1 1 30 30 ALA HB2 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB2 . 25670 1 181 . 1 1 30 30 ALA HB3 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB3 . 25670 1 182 . 1 1 31 31 ALA H H 1 7.9670 0.02 . 1 . . . A 31 ALA H . 25670 1 183 . 1 1 31 31 ALA HA H 1 4.1820 0.02 . 1 . . . A 31 ALA HA . 25670 1 184 . 1 1 31 31 ALA HB1 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB1 . 25670 1 185 . 1 1 31 31 ALA HB2 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB2 . 25670 1 186 . 1 1 31 31 ALA HB3 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB3 . 25670 1 187 . 1 1 32 32 ASN H H 1 8.0580 0.02 . 1 . . . A 32 ASN H . 25670 1 188 . 1 1 32 32 ASN HA H 1 4.6070 0.02 . 1 . . . A 32 ASN HA . 25670 1 189 . 1 1 32 32 ASN HB2 H 1 2.8340 0.02 . 1 . . . A 32 ASN HB2 . 25670 1 190 . 1 1 32 32 ASN HB3 H 1 2.8340 0.02 . 1 . . . A 32 ASN HB3 . 25670 1 191 . 1 1 32 32 ASN HD21 H 1 7.3850 0.02 . 1 . . . A 32 ASN HD21 . 25670 1 192 . 1 1 32 32 ASN HD22 H 1 6.8160 0.02 . 1 . . . A 32 ASN HD22 . 25670 1 193 . 1 1 33 33 LEU H H 1 8.1720 0.02 . 1 . . . A 33 LEU H . 25670 1 194 . 1 1 33 33 LEU HA H 1 4.3220 0.02 . 1 . . . A 33 LEU HA . 25670 1 195 . 1 1 33 33 LEU HB2 H 1 1.8460 0.02 . 1 . . . A 33 LEU HB2 . 25670 1 196 . 1 1 33 33 LEU HB3 H 1 1.7610 0.02 . 1 . . . A 33 LEU HB3 . 25670 1 197 . 1 1 33 33 LEU HG H 1 1.6620 0.02 . 1 . . . A 33 LEU HG . 25670 1 198 . 1 1 33 33 LEU HD11 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD11 . 25670 1 199 . 1 1 33 33 LEU HD12 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD12 . 25670 1 200 . 1 1 33 33 LEU HD13 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD13 . 25670 1 201 . 1 1 33 33 LEU HD21 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD21 . 25670 1 202 . 1 1 33 33 LEU HD22 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD22 . 25670 1 203 . 1 1 33 33 LEU HD23 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD23 . 25670 1 204 . 1 1 34 34 THR H H 1 7.9900 0.02 . 1 . . . A 34 THR H . 25670 1 205 . 1 1 34 34 THR HA H 1 4.3550 0.02 . 1 . . . A 34 THR HA . 25670 1 206 . 1 1 34 34 THR HB H 1 4.3630 0.02 . 1 . . . A 34 THR HB . 25670 1 207 . 1 1 34 34 THR HG21 H 1 1.2920 0.02 . 1 . . . A 34 THR HG21 . 25670 1 208 . 1 1 34 34 THR HG22 H 1 1.2920 0.02 . 1 . . . A 34 THR HG22 . 25670 1 209 . 1 1 34 34 THR HG23 H 1 1.2920 0.02 . 1 . . . A 34 THR HG23 . 25670 1 210 . 1 1 35 35 THR H H 1 7.8300 0.02 . 1 . . . A 35 THR H . 25670 1 211 . 1 1 35 35 THR HA H 1 4.4080 0.02 . 1 . . . A 35 THR HA . 25670 1 212 . 1 1 35 35 THR HG21 H 1 1.2830 0.02 . 1 . . . A 35 THR HG21 . 25670 1 213 . 1 1 35 35 THR HG22 H 1 1.2830 0.02 . 1 . . . A 35 THR HG22 . 25670 1 214 . 1 1 35 35 THR HG23 H 1 1.2830 0.02 . 1 . . . A 35 THR HG23 . 25670 1 215 . 1 1 36 36 GLY H H 1 8.1750 0.02 . 1 . . . A 36 GLY H . 25670 1 216 . 1 1 36 36 GLY HA2 H 1 3.9870 0.02 . 1 . . . A 36 GLY HA2 . 25670 1 217 . 1 1 36 36 GLY HA3 H 1 3.9870 0.02 . 1 . . . A 36 GLY HA3 . 25670 1 218 . 1 1 37 37 GLY H H 1 8.3220 0.02 . 1 . . . A 37 GLY H . 25670 1 219 . 1 1 37 37 GLY HA2 H 1 4.0150 0.02 . 1 . . . A 37 GLY HA2 . 25670 1 220 . 1 1 37 37 GLY HA3 H 1 3.9270 0.02 . 1 . . . A 37 GLY HA3 . 25670 1 221 . 1 1 39 39 ALA H H 1 8.1300 0.02 . 1 . . . A 39 ALA H . 25670 1 222 . 1 1 39 39 ALA HA H 1 4.3210 0.02 . 1 . . . A 39 ALA HA . 25670 1 223 . 1 1 39 39 ALA HB1 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB1 . 25670 1 224 . 1 1 39 39 ALA HB2 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB2 . 25670 1 225 . 1 1 39 39 ALA HB3 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB3 . 25670 1 226 . 1 1 40 40 GLY H H 1 8.1560 0.02 . 1 . . . A 40 GLY H . 25670 1 227 . 1 1 40 40 GLY HA2 H 1 3.9970 0.02 . 1 . . . A 40 GLY HA2 . 25670 1 228 . 1 1 40 40 GLY HA3 H 1 3.9350 0.02 . 1 . . . A 40 GLY HA3 . 25670 1 229 . 1 1 41 41 TRP H H 1 7.9300 0.02 . 1 . . . A 41 TRP H . 25670 1 230 . 1 1 41 41 TRP HA H 1 4.6600 0.02 . 1 . . . A 41 TRP HA . 25670 1 231 . 1 1 41 41 TRP HB2 H 1 3.3060 0.02 . 1 . . . A 41 TRP HB2 . 25670 1 232 . 1 1 41 41 TRP HB3 H 1 3.3070 0.02 . 1 . . . A 41 TRP HB3 . 25670 1 233 . 1 1 41 41 TRP HD1 H 1 7.2550 0.02 . 1 . . . A 41 TRP HD1 . 25670 1 234 . 1 1 41 41 TRP HE1 H 1 10.0170 0.02 . 1 . . . A 41 TRP HE1 . 25670 1 235 . 1 1 41 41 TRP HE3 H 1 7.6370 0.02 . 1 . . . A 41 TRP HE3 . 25670 1 236 . 1 1 41 41 TRP HZ2 H 1 7.4890 0.02 . 1 . . . A 41 TRP HZ2 . 25670 1 237 . 1 1 41 41 TRP HZ3 H 1 7.1600 0.02 . 1 . . . A 41 TRP HZ3 . 25670 1 238 . 1 1 41 41 TRP HH2 H 1 7.2420 0.02 . 1 . . . A 41 TRP HH2 . 25670 1 239 . 1 1 43 43 GLY H H 1 7.1030 0.02 . 1 . . . A 43 GLY H . 25670 1 240 . 1 1 43 43 GLY HA2 H 1 3.7360 0.02 . 1 . . . A 43 GLY HA2 . 25670 1 241 . 1 1 43 43 GLY HA3 H 1 3.6260 0.02 . 1 . . . A 43 GLY HA3 . 25670 1 stop_ save_