################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 NOESY' 1 $BPI_38H isotropic 36271 1 2 '2D 1H-1H TOCSY' 1 $BPI_38H isotropic 36271 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.04 0 . 2 . . . . A 1 GLY HA2 . 36271 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.04 0 . 2 . . . . A 1 GLY HA3 . 36271 1 3 . 1 . 1 2 2 ILE H H 1 8.53 0.002 . 1 . . . . A 2 ILE H . 36271 1 4 . 1 . 1 2 2 ILE HA H 1 4.019 0.002 . 1 . . . . A 2 ILE HA . 36271 1 5 . 1 . 1 2 2 ILE HB H 1 1.165 0.002 . 1 . . . . A 2 ILE HB . 36271 1 6 . 1 . 1 2 2 ILE HG12 H 1 0.734 0.014 . 2 . . . . A 2 ILE HG12 . 36271 1 7 . 1 . 1 2 2 ILE HG13 H 1 0.734 0.014 . 2 . . . . A 2 ILE HG13 . 36271 1 8 . 1 . 1 2 2 ILE HD11 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD11 . 36271 1 9 . 1 . 1 2 2 ILE HD12 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD12 . 36271 1 10 . 1 . 1 2 2 ILE HD13 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD13 . 36271 1 11 . 1 . 1 3 3 VAL H H 1 8.127 0.02 . 1 . . . . A 3 VAL H . 36271 1 12 . 1 . 1 3 3 VAL HA H 1 3.648 0.003 . 1 . . . . A 3 VAL HA . 36271 1 13 . 1 . 1 3 3 VAL HB H 1 1.927 0.001 . 1 . . . . A 3 VAL HB . 36271 1 14 . 1 . 1 3 3 VAL HG11 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG11 . 36271 1 15 . 1 . 1 3 3 VAL HG12 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG12 . 36271 1 16 . 1 . 1 3 3 VAL HG13 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG13 . 36271 1 17 . 1 . 1 4 4 GLU H H 1 8.159 0.002 . 1 . . . . A 4 GLU H . 36271 1 18 . 1 . 1 4 4 GLU HA H 1 4.172 0.002 . 1 . . . . A 4 GLU HA . 36271 1 19 . 1 . 1 4 4 GLU HB2 H 1 2.073 0.009 . 1 . . . . A 4 GLU HB2 . 36271 1 20 . 1 . 1 4 4 GLU HB3 H 1 2.073 0.009 . 1 . . . . A 4 GLU HB3 . 36271 1 21 . 1 . 1 4 4 GLU HG2 H 1 2.447 0.009 . 2 . . . . A 4 GLU HG2 . 36271 1 22 . 1 . 1 4 4 GLU HG3 H 1 2.447 0.009 . 2 . . . . A 4 GLU HG3 . 36271 1 23 . 1 . 1 5 5 GLN H H 1 8.36 0.002 . 1 . . . . A 5 GLN H . 36271 1 24 . 1 . 1 5 5 GLN HA H 1 4.043 0.007 . 1 . . . . A 5 GLN HA . 36271 1 25 . 1 . 1 5 5 GLN HB2 H 1 2.098 0.002 . 2 . . . . A 5 GLN HB2 . 36271 1 26 . 1 . 1 5 5 GLN HB3 H 1 2.098 0.002 . 2 . . . . A 5 GLN HB3 . 36271 1 27 . 1 . 1 5 5 GLN HG2 H 1 2.378 0.004 . 2 . . . . A 5 GLN HG2 . 36271 1 28 . 1 . 1 5 5 GLN HG3 H 1 2.378 0.004 . 2 . . . . A 5 GLN HG3 . 36271 1 29 . 1 . 1 6 6 CYS H H 1 8.273 0.022 . 1 . . . . A 6 CYS H . 36271 1 30 . 1 . 1 6 6 CYS HA H 1 4.859 0.003 . 1 . . . . A 6 CYS HA . 36271 1 31 . 1 . 1 6 6 CYS HB2 H 1 2.914 0.002 . 2 . . . . A 6 CYS HB2 . 36271 1 32 . 1 . 1 6 6 CYS HB3 H 1 2.914 0.002 . 2 . . . . A 6 CYS HB3 . 36271 1 33 . 1 . 1 7 7 CYS H H 1 8.212 0.014 . 1 . . . . A 7 CYS H . 36271 1 34 . 1 . 1 7 7 CYS HA H 1 4.798 0.004 . 1 . . . . A 7 CYS HA . 36271 1 35 . 1 . 1 7 7 CYS HB2 H 1 2.883 0.023 . 1 . . . . A 7 CYS HB2 . 36271 1 36 . 1 . 1 7 7 CYS HB3 H 1 3.097 0.023 . 1 . . . . A 7 CYS HB3 . 36271 1 37 . 1 . 1 8 8 ALA H H 1 8.273 0 . 1 . . . . A 8 ALA H . 36271 1 38 . 1 . 1 8 8 ALA HA H 1 4.267 0.001 . 1 . . . . A 8 ALA HA . 36271 1 39 . 1 . 1 8 8 ALA HB1 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB1 . 36271 1 40 . 1 . 1 8 8 ALA HB2 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB2 . 36271 1 41 . 1 . 1 8 8 ALA HB3 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB3 . 36271 1 42 . 1 . 1 9 9 SER H H 1 7.84 0.04 . 1 . . . . A 9 SER H . 36271 1 43 . 1 . 1 9 9 SER HA H 1 4.698 0.03 . 1 . . . . A 9 SER HA . 36271 1 44 . 1 . 1 9 9 SER HB2 H 1 3.878 0.002 . 2 . . . . A 9 SER HB2 . 36271 1 45 . 1 . 1 9 9 SER HB3 H 1 3.878 0.003 . 2 . . . . A 9 SER HB3 . 36271 1 46 . 1 . 1 10 10 VAL H H 1 7.854 0.02 . 1 . . . . A 10 VAL H . 36271 1 47 . 1 . 1 10 10 VAL HA H 1 4.32 0.003 . 1 . . . . A 10 VAL HA . 36271 1 48 . 1 . 1 10 10 VAL HB H 1 1.758 0.001 . 1 . . . . A 10 VAL HB . 36271 1 49 . 1 . 1 10 10 VAL HG11 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG11 . 36271 1 50 . 1 . 1 10 10 VAL HG12 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG12 . 36271 1 51 . 1 . 1 10 10 VAL HG13 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG13 . 36271 1 52 . 1 . 1 10 10 VAL HG21 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG21 . 36271 1 53 . 1 . 1 10 10 VAL HG22 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG22 . 36271 1 54 . 1 . 1 10 10 VAL HG23 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG23 . 36271 1 55 . 1 . 1 11 11 CYS H H 1 9.623 0.002 . 1 . . . . A 11 CYS H . 36271 1 56 . 1 . 1 11 11 CYS HA H 1 4.317 0.012 . 1 . . . . A 11 CYS HA . 36271 1 57 . 1 . 1 12 12 SER H H 1 8.784 0.022 . 1 . . . . A 12 SER H . 36271 1 58 . 1 . 1 12 12 SER HA H 1 4.585 0.005 . 1 . . . . A 12 SER HA . 36271 1 59 . 1 . 1 12 12 SER HB2 H 1 4.276 0.002 . 1 . . . . A 12 SER HB2 . 36271 1 60 . 1 . 1 12 12 SER HB3 H 1 3.978 0.001 . 1 . . . . A 12 SER HB3 . 36271 1 61 . 1 . 1 13 13 LEU H H 1 8.62 0.002 . 1 . . . . A 13 LEU H . 36271 1 62 . 1 . 1 13 13 LEU HA H 1 3.859 0.01 . 1 . . . . A 13 LEU HA . 36271 1 63 . 1 . 1 13 13 LEU HB2 H 1 1.362 0.004 . 1 . . . . A 13 LEU HB2 . 36271 1 64 . 1 . 1 13 13 LEU HB3 H 1 1.362 0.004 . 1 . . . . A 13 LEU HB3 . 36271 1 65 . 1 . 1 13 13 LEU HG H 1 1.308 0.003 . 1 . . . . A 13 LEU HG . 36271 1 66 . 1 . 1 13 13 LEU HD11 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD11 . 36271 1 67 . 1 . 1 13 13 LEU HD12 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD12 . 36271 1 68 . 1 . 1 13 13 LEU HD13 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD13 . 36271 1 69 . 1 . 1 13 13 LEU HD21 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD21 . 36271 1 70 . 1 . 1 13 13 LEU HD22 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD22 . 36271 1 71 . 1 . 1 13 13 LEU HD23 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD23 . 36271 1 72 . 1 . 1 14 14 TYR H H 1 7.523 0.025 . 1 . . . . A 14 TYR H . 36271 1 73 . 1 . 1 14 14 TYR HA H 1 4.145 0.002 . 1 . . . . A 14 TYR HA . 36271 1 74 . 1 . 1 14 14 TYR HB2 H 1 2.965 0.002 . 1 . . . . A 14 TYR HB2 . 36271 1 75 . 1 . 1 14 14 TYR HB3 H 1 2.896 0.002 . 1 . . . . A 14 TYR HB3 . 36271 1 76 . 1 . 1 14 14 TYR HD1 H 1 7.033 0.002 . 3 . . . . A 14 TYR HD1 . 36271 1 77 . 1 . 1 14 14 TYR HD2 H 1 7.033 0.002 . 3 . . . . A 14 TYR HD2 . 36271 1 78 . 1 . 1 14 14 TYR HE1 H 1 6.814 0.002 . 3 . . . . A 14 TYR HE1 . 36271 1 79 . 1 . 1 14 14 TYR HE2 H 1 6.814 0.002 . 3 . . . . A 14 TYR HE2 . 36271 1 80 . 1 . 1 15 15 GLN H H 1 7.555 0.042 . 1 . . . . A 15 GLN H . 36271 1 81 . 1 . 1 15 15 GLN HA H 1 3.976 0.005 . 1 . . . . A 15 GLN HA . 36271 1 82 . 1 . 1 15 15 GLN HB2 H 1 2.008 0.007 . 2 . . . . A 15 GLN HB2 . 36271 1 83 . 1 . 1 15 15 GLN HB3 H 1 2.008 0.007 . 2 . . . . A 15 GLN HB3 . 36271 1 84 . 1 . 1 15 15 GLN HG2 H 1 2.364 0.006 . 2 . . . . A 15 GLN HG2 . 36271 1 85 . 1 . 1 15 15 GLN HG3 H 1 2.364 0.006 . 2 . . . . A 15 GLN HG3 . 36271 1 86 . 1 . 1 15 15 GLN HE21 H 1 7.027 0.002 . 2 . . . . A 15 GLN HE21 . 36271 1 87 . 1 . 1 15 15 GLN HE22 H 1 7.498 0.002 . 2 . . . . A 15 GLN HE22 . 36271 1 88 . 1 . 1 16 16 LEU H H 1 8.076 0 . 1 . . . . A 16 LEU H . 36271 1 89 . 1 . 1 16 16 LEU HA H 1 4.208 0.024 . 1 . . . . A 16 LEU HA . 36271 1 90 . 1 . 1 16 16 LEU HB2 H 1 1.518 0.001 . 1 . . . . A 16 LEU HB2 . 36271 1 91 . 1 . 1 16 16 LEU HB3 H 1 1.897 0 . 1 . . . . A 16 LEU HB3 . 36271 1 92 . 1 . 1 16 16 LEU HG H 1 1.715 0 . 1 . . . . A 16 LEU HG . 36271 1 93 . 1 . 1 16 16 LEU HD11 H 1 0.792 0 . 2 . . . . A 16 LEU HD11 . 36271 1 94 . 1 . 1 16 16 LEU HD12 H 1 0.792 0 . 2 . . . . A 16 LEU HD12 . 36271 1 95 . 1 . 1 16 16 LEU HD13 H 1 0.792 0 . 2 . . . . A 16 LEU HD13 . 36271 1 96 . 1 . 1 16 16 LEU HD21 H 1 0.847 0 . 2 . . . . A 16 LEU HD21 . 36271 1 97 . 1 . 1 16 16 LEU HD22 H 1 0.847 0 . 2 . . . . A 16 LEU HD22 . 36271 1 98 . 1 . 1 16 16 LEU HD23 H 1 0.847 0 . 2 . . . . A 16 LEU HD23 . 36271 1 99 . 1 . 1 17 17 GLU H H 1 8.076 0.024 . 1 . . . . A 17 GLU H . 36271 1 100 . 1 . 1 17 17 GLU HA H 1 4.171 0.002 . 1 . . . . A 17 GLU HA . 36271 1 101 . 1 . 1 17 17 GLU HB2 H 1 2.084 0.001 . 2 . . . . A 17 GLU HB2 . 36271 1 102 . 1 . 1 17 17 GLU HB3 H 1 2.084 0.001 . 2 . . . . A 17 GLU HB3 . 36271 1 103 . 1 . 1 17 17 GLU HG2 H 1 2.554 0.002 . 1 . . . . A 17 GLU HG2 . 36271 1 104 . 1 . 1 17 17 GLU HG3 H 1 2.341 0.001 . 1 . . . . A 17 GLU HG3 . 36271 1 105 . 1 . 1 18 18 ASN H H 1 7.409 0.003 . 1 . . . . A 18 ASN H . 36271 1 106 . 1 . 1 18 18 ASN HA H 1 4.475 0.012 . 1 . . . . A 18 ASN HA . 36271 1 107 . 1 . 1 18 18 ASN HB2 H 1 2.519 0 . 2 . . . . A 18 ASN HB2 . 36271 1 108 . 1 . 1 18 18 ASN HB3 H 1 2.595 0 . 2 . . . . A 18 ASN HB3 . 36271 1 109 . 1 . 1 18 18 ASN HD21 H 1 6.53 0.004 . 2 . . . . A 18 ASN HD21 . 36271 1 110 . 1 . 1 18 18 ASN HD22 H 1 7.17 0.001 . 2 . . . . A 18 ASN HD22 . 36271 1 111 . 1 . 1 19 19 TYR H H 1 7.96 0.001 . 1 . . . . A 19 TYR H . 36271 1 112 . 1 . 1 19 19 TYR HA H 1 4.459 0.005 . 1 . . . . A 19 TYR HA . 36271 1 113 . 1 . 1 19 19 TYR HB2 H 1 3.343 0.005 . 2 . . . . A 19 TYR HB2 . 36271 1 114 . 1 . 1 19 19 TYR HB3 H 1 2.988 0.002 . 2 . . . . A 19 TYR HB3 . 36271 1 115 . 1 . 1 19 19 TYR HD1 H 1 7.349 0.012 . 3 . . . . A 19 TYR HD1 . 36271 1 116 . 1 . 1 19 19 TYR HD2 H 1 7.349 0.012 . 3 . . . . A 19 TYR HD2 . 36271 1 117 . 1 . 1 19 19 TYR HE1 H 1 6.745 0.001 . 3 . . . . A 19 TYR HE1 . 36271 1 118 . 1 . 1 19 19 TYR HE2 H 1 6.745 0.001 . 3 . . . . A 19 TYR HE2 . 36271 1 119 . 1 . 1 20 20 CYS H H 1 7.443 0.007 . 1 . . . . A 20 CYS H . 36271 1 120 . 1 . 1 20 20 CYS HA H 1 4.994 0.005 . 1 . . . . A 20 CYS HA . 36271 1 121 . 1 . 1 20 20 CYS HB2 H 1 2.861 0 . 1 . . . . A 20 CYS HB2 . 36271 1 122 . 1 . 1 20 20 CYS HB3 H 1 3.178 0 . 1 . . . . A 20 CYS HB3 . 36271 1 123 . 1 . 1 21 21 ASN H H 1 8.275 0.002 . 1 . . . . A 21 ASN H . 36271 1 124 . 1 . 1 21 21 ASN HA H 1 4.696 0.002 . 1 . . . . A 21 ASN HA . 36271 1 125 . 1 . 1 21 21 ASN HB2 H 1 3.103 0.004 . 1 . . . . A 21 ASN HB2 . 36271 1 126 . 1 . 1 21 21 ASN HB3 H 1 2.827 0.004 . 1 . . . . A 21 ASN HB3 . 36271 1 127 . 1 . 1 21 21 ASN HD21 H 1 7.501 0.004 . 1 . . . . A 21 ASN HD21 . 36271 1 128 . 2 . 2 1 1 PHE HA H 1 4.261 0.004 . 1 . . . . B 1 PHE HA . 36271 1 129 . 2 . 2 1 1 PHE HB2 H 1 3.147 0.004 . 1 . . . . B 1 PHE HB2 . 36271 1 130 . 2 . 2 1 1 PHE HB3 H 1 3.147 0.004 . 1 . . . . B 1 PHE HB3 . 36271 1 131 . 2 . 2 1 1 PHE HD1 H 1 7.2 0.002 . 3 . . . . B 1 PHE HD1 . 36271 1 132 . 2 . 2 1 1 PHE HD2 H 1 7.2 0.002 . 3 . . . . B 1 PHE HD2 . 36271 1 133 . 2 . 2 1 1 PHE HE1 H 1 7.333 0.002 . 3 . . . . B 1 PHE HE1 . 36271 1 134 . 2 . 2 1 1 PHE HE2 H 1 7.333 0.002 . 3 . . . . B 1 PHE HE2 . 36271 1 135 . 2 . 2 2 2 VAL H H 1 8.188 0.004 . 1 . . . . B 2 VAL H . 36271 1 136 . 2 . 2 2 2 VAL HA H 1 4.103 0.003 . 1 . . . . B 2 VAL HA . 36271 1 137 . 2 . 2 2 2 VAL HB H 1 1.889 0.002 . 1 . . . . B 2 VAL HB . 36271 1 138 . 2 . 2 2 2 VAL HG11 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG11 . 36271 1 139 . 2 . 2 2 2 VAL HG12 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG12 . 36271 1 140 . 2 . 2 2 2 VAL HG13 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG13 . 36271 1 141 . 2 . 2 3 3 ASN H H 1 8.493 0.002 . 1 . . . . B 3 ASN H . 36271 1 142 . 2 . 2 3 3 ASN HA H 1 4.674 0.002 . 1 . . . . B 3 ASN HA . 36271 1 143 . 2 . 2 3 3 ASN HB2 H 1 2.827 0.004 . 1 . . . . B 3 ASN HB2 . 36271 1 144 . 2 . 2 3 3 ASN HB3 H 1 2.827 0.004 . 1 . . . . B 3 ASN HB3 . 36271 1 145 . 2 . 2 3 3 ASN HD21 H 1 6.904 0.004 . 1 . . . . B 3 ASN HD21 . 36271 1 146 . 2 . 2 3 3 ASN HD22 H 1 7.528 0.004 . 1 . . . . B 3 ASN HD22 . 36271 1 147 . 2 . 2 4 4 GLN H H 1 8.415 0.001 . 1 . . . . B 4 GLN H . 36271 1 148 . 2 . 2 4 4 GLN HA H 1 4.469 0.007 . 1 . . . . B 4 GLN HA . 36271 1 149 . 2 . 2 4 4 GLN HB2 H 1 2.079 0.001 . 1 . . . . B 4 GLN HB2 . 36271 1 150 . 2 . 2 4 4 GLN HB3 H 1 2.082 0.007 . 1 . . . . B 4 GLN HB3 . 36271 1 151 . 2 . 2 4 4 GLN HG2 H 1 2.235 0.001 . 2 . . . . B 4 GLN HG2 . 36271 1 152 . 2 . 2 4 4 GLN HG3 H 1 2.235 0.001 . 2 . . . . B 4 GLN HG3 . 36271 1 153 . 2 . 2 4 4 GLN HE21 H 1 7.343 0.001 . 1 . . . . B 4 GLN HE21 . 36271 1 154 . 2 . 2 4 4 GLN HE22 H 1 6.796 0.001 . 1 . . . . B 4 GLN HE22 . 36271 1 155 . 2 . 2 5 5 HIS H H 1 8.633 0.001 . 1 . . . . B 5 HIS H . 36271 1 156 . 2 . 2 5 5 HIS HA H 1 4.494 0.003 . 1 . . . . B 5 HIS HA . 36271 1 157 . 2 . 2 5 5 HIS HB2 H 1 3.514 0.001 . 2 . . . . B 5 HIS HB2 . 36271 1 158 . 2 . 2 5 5 HIS HB3 H 1 3.233 0.002 . 2 . . . . B 5 HIS HB3 . 36271 1 159 . 2 . 2 5 5 HIS HD2 H 1 7.318 0.003 . 1 . . . . B 5 HIS HD2 . 36271 1 160 . 2 . 2 6 6 LEU H H 1 8.982 0.002 . 1 . . . . B 6 LEU H . 36271 1 161 . 2 . 2 6 6 LEU HA H 1 4.521 0.002 . 1 . . . . B 6 LEU HA . 36271 1 162 . 2 . 2 6 6 LEU HB2 H 1 1.735 0.003 . 1 . . . . B 6 LEU HB2 . 36271 1 163 . 2 . 2 6 6 LEU HB3 H 1 1.735 0.003 . 1 . . . . B 6 LEU HB3 . 36271 1 164 . 2 . 2 6 6 LEU HG H 1 1.556 0 . 1 . . . . B 6 LEU HG . 36271 1 165 . 2 . 2 6 6 LEU HD11 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD11 . 36271 1 166 . 2 . 2 6 6 LEU HD12 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD12 . 36271 1 167 . 2 . 2 6 6 LEU HD13 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD13 . 36271 1 168 . 2 . 2 6 6 LEU HD21 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD21 . 36271 1 169 . 2 . 2 6 6 LEU HD22 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD22 . 36271 1 170 . 2 . 2 6 6 LEU HD23 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD23 . 36271 1 171 . 2 . 2 7 7 CYS H H 1 8.343 0.002 . 1 . . . . B 7 CYS H . 36271 1 172 . 2 . 2 7 7 CYS HA H 1 4.939 0.002 . 1 . . . . B 7 CYS HA . 36271 1 173 . 2 . 2 7 7 CYS HB2 H 1 2.944 0.002 . 1 . . . . B 7 CYS HB2 . 36271 1 174 . 2 . 2 7 7 CYS HB3 H 1 3.214 0.002 . 1 . . . . B 7 CYS HB3 . 36271 1 175 . 2 . 2 8 8 GLY H H 1 9.294 0.002 . 1 . . . . B 8 GLY H . 36271 1 176 . 2 . 2 8 8 GLY HA2 H 1 3.991 0.002 . 1 . . . . B 8 GLY HA2 . 36271 1 177 . 2 . 2 8 8 GLY HA3 H 1 3.826 0.002 . 1 . . . . B 8 GLY HA3 . 36271 1 178 . 2 . 2 9 9 SER H H 1 9.107 0.002 . 1 . . . . B 9 SER H . 36271 1 179 . 2 . 2 9 9 SER HA H 1 4.117 0.002 . 1 . . . . B 9 SER HA . 36271 1 180 . 2 . 2 9 9 SER HB2 H 1 3.882 0.002 . 1 . . . . B 9 SER HB2 . 36271 1 181 . 2 . 2 9 9 SER HB3 H 1 3.882 0.002 . 1 . . . . B 9 SER HB3 . 36271 1 182 . 2 . 2 10 10 HIS H H 1 8.003 0.002 . 1 . . . . B 10 HIS H . 36271 1 183 . 2 . 2 10 10 HIS HA H 1 4.51 0.002 . 1 . . . . B 10 HIS HA . 36271 1 184 . 2 . 2 10 10 HIS HB2 H 1 3.279 0.002 . 2 . . . . B 10 HIS HB2 . 36271 1 185 . 2 . 2 10 10 HIS HB3 H 1 3.552 0.002 . 2 . . . . B 10 HIS HB3 . 36271 1 186 . 2 . 2 10 10 HIS HD2 H 1 7.451 0.002 . 1 . . . . B 10 HIS HD2 . 36271 1 187 . 2 . 2 11 11 LEU H H 1 8.349 0.002 . 1 . . . . B 11 LEU H . 36271 1 188 . 2 . 2 11 11 LEU HA H 1 4.161 0.002 . 1 . . . . B 11 LEU HA . 36271 1 189 . 2 . 2 11 11 LEU HB2 H 1 1.525 0.002 . 1 . . . . B 11 LEU HB2 . 36271 1 190 . 2 . 2 11 11 LEU HB3 H 1 1.525 0.002 . 1 . . . . B 11 LEU HB3 . 36271 1 191 . 2 . 2 11 11 LEU HD11 H 1 0.864 0 . 1 . . . . B 11 LEU HD11 . 36271 1 192 . 2 . 2 11 11 LEU HD12 H 1 0.864 0 . 1 . . . . B 11 LEU HD12 . 36271 1 193 . 2 . 2 11 11 LEU HD13 H 1 0.864 0 . 1 . . . . B 11 LEU HD13 . 36271 1 194 . 2 . 2 11 11 LEU HD21 H 1 0.715 0 . 1 . . . . B 11 LEU HD21 . 36271 1 195 . 2 . 2 11 11 LEU HD22 H 1 0.715 0 . 1 . . . . B 11 LEU HD22 . 36271 1 196 . 2 . 2 11 11 LEU HD23 H 1 0.715 0 . 1 . . . . B 11 LEU HD23 . 36271 1 197 . 2 . 2 12 12 VAL H H 1 7.034 0.002 . 1 . . . . B 12 VAL H . 36271 1 198 . 2 . 2 12 12 VAL HA H 1 3.29 0.001 . 1 . . . . B 12 VAL HA . 36271 1 199 . 2 . 2 12 12 VAL HB H 1 2.03 0.002 . 1 . . . . B 12 VAL HB . 36271 1 200 . 2 . 2 12 12 VAL HG11 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG11 . 36271 1 201 . 2 . 2 12 12 VAL HG12 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG12 . 36271 1 202 . 2 . 2 12 12 VAL HG13 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG13 . 36271 1 203 . 2 . 2 12 12 VAL HG21 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG21 . 36271 1 204 . 2 . 2 12 12 VAL HG22 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG22 . 36271 1 205 . 2 . 2 12 12 VAL HG23 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG23 . 36271 1 206 . 2 . 2 13 13 GLU H H 1 7.912 0.002 . 1 . . . . B 13 GLU H . 36271 1 207 . 2 . 2 13 13 GLU HA H 1 4.103 0.002 . 1 . . . . B 13 GLU HA . 36271 1 208 . 2 . 2 13 13 GLU HB2 H 1 2.145 0.001 . 2 . . . . B 13 GLU HB2 . 36271 1 209 . 2 . 2 13 13 GLU HB3 H 1 2.145 0.001 . 2 . . . . B 13 GLU HB3 . 36271 1 210 . 2 . 2 13 13 GLU HG2 H 1 2.53 0.001 . 2 . . . . B 13 GLU HG2 . 36271 1 211 . 2 . 2 13 13 GLU HG3 H 1 2.53 0.001 . 2 . . . . B 13 GLU HG3 . 36271 1 212 . 2 . 2 14 14 ALA H H 1 7.716 0.001 . 1 . . . . B 14 ALA H . 36271 1 213 . 2 . 2 14 14 ALA HA H 1 4.069 0.002 . 1 . . . . B 14 ALA HA . 36271 1 214 . 2 . 2 14 14 ALA HB1 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB1 . 36271 1 215 . 2 . 2 14 14 ALA HB2 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB2 . 36271 1 216 . 2 . 2 14 14 ALA HB3 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB3 . 36271 1 217 . 2 . 2 15 15 LEU H H 1 8.035 0.002 . 1 . . . . B 15 LEU H . 36271 1 218 . 2 . 2 15 15 LEU HA H 1 3.869 0.002 . 1 . . . . B 15 LEU HA . 36271 1 219 . 2 . 2 15 15 LEU HB2 H 1 1.331 0.001 . 1 . . . . B 15 LEU HB2 . 36271 1 220 . 2 . 2 15 15 LEU HB3 H 1 1.331 0.001 . 1 . . . . B 15 LEU HB3 . 36271 1 221 . 2 . 2 15 15 LEU HD11 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD11 . 36271 1 222 . 2 . 2 15 15 LEU HD12 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD12 . 36271 1 223 . 2 . 2 15 15 LEU HD13 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD13 . 36271 1 224 . 2 . 2 15 15 LEU HD21 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD21 . 36271 1 225 . 2 . 2 15 15 LEU HD22 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD22 . 36271 1 226 . 2 . 2 15 15 LEU HD23 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD23 . 36271 1 227 . 2 . 2 16 16 TYR H H 1 8.076 0.002 . 1 . . . . B 16 TYR H . 36271 1 228 . 2 . 2 16 16 TYR HA H 1 4.15 0.002 . 1 . . . . B 16 TYR HA . 36271 1 229 . 2 . 2 16 16 TYR HB2 H 1 2.965 0.001 . 1 . . . . B 16 TYR HB2 . 36271 1 230 . 2 . 2 16 16 TYR HB3 H 1 2.89 0.001 . 1 . . . . B 16 TYR HB3 . 36271 1 231 . 2 . 2 16 16 TYR HD1 H 1 6.754 0.002 . 3 . . . . B 16 TYR HD1 . 36271 1 232 . 2 . 2 16 16 TYR HD2 H 1 6.754 0.002 . 3 . . . . B 16 TYR HD2 . 36271 1 233 . 2 . 2 16 16 TYR HE1 H 1 7.31 0.002 . 3 . . . . B 16 TYR HE1 . 36271 1 234 . 2 . 2 16 16 TYR HE2 H 1 7.31 0.002 . 3 . . . . B 16 TYR HE2 . 36271 1 235 . 2 . 2 17 17 LEU H H 1 7.817 0.002 . 1 . . . . B 17 LEU H . 36271 1 236 . 2 . 2 17 17 LEU HA H 1 4.082 0.002 . 1 . . . . B 17 LEU HA . 36271 1 237 . 2 . 2 17 17 LEU HB2 H 1 1.654 0.002 . 2 . . . . B 17 LEU HB2 . 36271 1 238 . 2 . 2 17 17 LEU HB3 H 1 1.654 0.002 . 2 . . . . B 17 LEU HB3 . 36271 1 239 . 2 . 2 17 17 LEU HG H 1 1.801 0.002 . 1 . . . . B 17 LEU HG . 36271 1 240 . 2 . 2 17 17 LEU HD11 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD11 . 36271 1 241 . 2 . 2 17 17 LEU HD12 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD12 . 36271 1 242 . 2 . 2 17 17 LEU HD13 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD13 . 36271 1 243 . 2 . 2 17 17 LEU HD21 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD21 . 36271 1 244 . 2 . 2 17 17 LEU HD22 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD22 . 36271 1 245 . 2 . 2 17 17 LEU HD23 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD23 . 36271 1 246 . 2 . 2 18 18 VAL H H 1 8.482 0.002 . 1 . . . . B 18 VAL H . 36271 1 247 . 2 . 2 18 18 VAL HA H 1 3.857 0.002 . 1 . . . . B 18 VAL HA . 36271 1 248 . 2 . 2 18 18 VAL HB H 1 2.08 0.002 . 1 . . . . B 18 VAL HB . 36271 1 249 . 2 . 2 18 18 VAL HG11 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG11 . 36271 1 250 . 2 . 2 18 18 VAL HG12 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG12 . 36271 1 251 . 2 . 2 18 18 VAL HG13 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG13 . 36271 1 252 . 2 . 2 18 18 VAL HG21 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG21 . 36271 1 253 . 2 . 2 18 18 VAL HG22 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG22 . 36271 1 254 . 2 . 2 18 18 VAL HG23 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG23 . 36271 1 255 . 2 . 2 19 19 CYS H H 1 8.718 0.006 . 1 . . . . B 19 CYS H . 36271 1 256 . 2 . 2 19 19 CYS HA H 1 4.756 0.003 . 1 . . . . B 19 CYS HA . 36271 1 257 . 2 . 2 19 19 CYS HB2 H 1 2.903 0.002 . 2 . . . . B 19 CYS HB2 . 36271 1 258 . 2 . 2 19 19 CYS HB3 H 1 3.23 0.002 . 2 . . . . B 19 CYS HB3 . 36271 1 259 . 2 . 2 20 20 GLY H H 1 7.758 0.002 . 1 . . . . B 20 GLY H . 36271 1 260 . 2 . 2 20 20 GLY HA2 H 1 3.918 0.002 . 2 . . . . B 20 GLY HA2 . 36271 1 261 . 2 . 2 20 20 GLY HA3 H 1 3.918 0.002 . 2 . . . . B 20 GLY HA3 . 36271 1 262 . 2 . 2 21 21 GLU H H 1 8.381 0.002 . 1 . . . . B 21 GLU H . 36271 1 263 . 2 . 2 21 21 GLU HA H 1 4.219 0 . 1 . . . . B 21 GLU HA . 36271 1 264 . 2 . 2 21 21 GLU HB2 H 1 2.166 0.001 . 1 . . . . B 21 GLU HB2 . 36271 1 265 . 2 . 2 21 21 GLU HB3 H 1 2.062 0.004 . 1 . . . . B 21 GLU HB3 . 36271 1 266 . 2 . 2 21 21 GLU HG2 H 1 2.496 0.002 . 2 . . . . B 21 GLU HG2 . 36271 1 267 . 2 . 2 21 21 GLU HG3 H 1 2.496 0.002 . 2 . . . . B 21 GLU HG3 . 36271 1 268 . 2 . 2 22 22 ARG H H 1 7.972 0.002 . 1 . . . . B 22 ARG H . 36271 1 269 . 2 . 2 22 22 ARG HA H 1 4.174 0.002 . 1 . . . . B 22 ARG HA . 36271 1 270 . 2 . 2 22 22 ARG HB2 H 1 1.966 0.002 . 2 . . . . B 22 ARG HB2 . 36271 1 271 . 2 . 2 22 22 ARG HB3 H 1 1.966 0.002 . 2 . . . . B 22 ARG HB3 . 36271 1 272 . 2 . 2 22 22 ARG HG2 H 1 1.72 0.002 . 2 . . . . B 22 ARG HG2 . 36271 1 273 . 2 . 2 22 22 ARG HG3 H 1 1.72 0.002 . 2 . . . . B 22 ARG HG3 . 36271 1 274 . 2 . 2 22 22 ARG HD2 H 1 3.225 0.002 . 2 . . . . B 22 ARG HD2 . 36271 1 275 . 2 . 2 22 22 ARG HD3 H 1 3.225 0.002 . 2 . . . . B 22 ARG HD3 . 36271 1 276 . 2 . 2 23 23 GLY H H 1 7.718 0.004 . 1 . . . . B 23 GLY H . 36271 1 277 . 2 . 2 23 23 GLY HA2 H 1 3.794 0.004 . 2 . . . . B 23 GLY HA2 . 36271 1 278 . 2 . 2 23 23 GLY HA3 H 1 3.794 0.004 . 2 . . . . B 23 GLY HA3 . 36271 1 279 . 2 . 2 24 24 PHE H H 1 8.188 0.002 . 1 . . . . B 24 PHE H . 36271 1 280 . 2 . 2 24 24 PHE HA H 1 4.237 0.002 . 1 . . . . B 24 PHE HA . 36271 1 281 . 2 . 2 24 24 PHE HB2 H 1 3.117 0.002 . 1 . . . . B 24 PHE HB2 . 36271 1 282 . 2 . 2 24 24 PHE HB3 H 1 3.124 0.002 . 1 . . . . B 24 PHE HB3 . 36271 1 283 . 2 . 2 24 24 PHE HD1 H 1 6.923 0.002 . 3 . . . . B 24 PHE HD1 . 36271 1 284 . 2 . 2 24 24 PHE HD2 H 1 6.923 0.002 . 3 . . . . B 24 PHE HD2 . 36271 1 285 . 2 . 2 24 24 PHE HE1 H 1 7.039 0.002 . 3 . . . . B 24 PHE HE1 . 36271 1 286 . 2 . 2 24 24 PHE HE2 H 1 7.039 0.002 . 3 . . . . B 24 PHE HE2 . 36271 1 287 . 2 . 2 25 25 PHE H H 1 8.208 0.002 . 1 . . . . B 25 PHE H . 36271 1 288 . 2 . 2 25 25 PHE HA H 1 4.641 0.002 . 1 . . . . B 25 PHE HA . 36271 1 289 . 2 . 2 25 25 PHE HB2 H 1 2.997 0.002 . 1 . . . . B 25 PHE HB2 . 36271 1 290 . 2 . 2 25 25 PHE HB3 H 1 3.091 0.002 . 1 . . . . B 25 PHE HB3 . 36271 1 291 . 2 . 2 25 25 PHE HD1 H 1 7.254 0.002 . 3 . . . . B 25 PHE HD1 . 36271 1 292 . 2 . 2 25 25 PHE HD2 H 1 7.254 0.002 . 3 . . . . B 25 PHE HD2 . 36271 1 293 . 2 . 2 25 25 PHE HE1 H 1 7.178 0.002 . 3 . . . . B 25 PHE HE1 . 36271 1 294 . 2 . 2 25 25 PHE HE2 H 1 7.178 0.002 . 3 . . . . B 25 PHE HE2 . 36271 1 295 . 2 . 2 26 26 TYR H H 1 7.975 0.002 . 1 . . . . B 26 TYR H . 36271 1 296 . 2 . 2 26 26 TYR HA H 1 4.622 0.002 . 1 . . . . B 26 TYR HA . 36271 1 297 . 2 . 2 26 26 TYR HB2 H 1 2.894 0.002 . 2 . . . . B 26 TYR HB2 . 36271 1 298 . 2 . 2 26 26 TYR HB3 H 1 2.894 0.002 . 2 . . . . B 26 TYR HB3 . 36271 1 299 . 2 . 2 26 26 TYR HD1 H 1 6.713 0.002 . 3 . . . . B 26 TYR HD1 . 36271 1 300 . 2 . 2 26 26 TYR HD2 H 1 6.713 0.002 . 3 . . . . B 26 TYR HD2 . 36271 1 301 . 2 . 2 26 26 TYR HE1 H 1 6.977 0.002 . 3 . . . . B 26 TYR HE1 . 36271 1 302 . 2 . 2 26 26 TYR HE2 H 1 6.977 0.002 . 3 . . . . B 26 TYR HE2 . 36271 1 303 . 2 . 2 27 27 THR H H 1 7.778 0.002 . 1 . . . . B 27 THR H . 36271 1 304 . 2 . 2 27 27 THR HA H 1 4.583 0.002 . 1 . . . . B 27 THR HA . 36271 1 305 . 2 . 2 27 27 THR HB H 1 4.05 0.002 . 1 . . . . B 27 THR HB . 36271 1 306 . 2 . 2 27 27 THR HG21 H 1 1.162 0.002 . 1 . . . . B 27 THR HG21 . 36271 1 307 . 2 . 2 27 27 THR HG22 H 1 1.162 0.002 . 1 . . . . B 27 THR HG22 . 36271 1 308 . 2 . 2 27 27 THR HG23 H 1 1.162 0.002 . 1 . . . . B 27 THR HG23 . 36271 1 stop_ save_