################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6636 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 ALA H H 1 7.961 0.000 . 1 . . . . 1 ALA HN . 6636 1 2 . 1 1 1 1 ALA HA H 1 4.004 0.002 . 1 . . . . 1 ALA HA . 6636 1 3 . 1 1 1 1 ALA HB1 H 1 1.418 0.000 . 2 . . . . 1 ALA QB . 6636 1 4 . 1 1 1 1 ALA HB2 H 1 1.418 0.000 . 2 . . . . 1 ALA QB . 6636 1 5 . 1 1 1 1 ALA HB3 H 1 1.418 0.000 . 2 . . . . 1 ALA QB . 6636 1 6 . 1 1 2 2 CYS H H 1 8.347 0.001 . 1 . . . . 2 CYS HN . 6636 1 7 . 1 1 2 2 CYS HA H 1 4.500 0.000 . 1 . . . . 2 CYS HA . 6636 1 8 . 1 1 2 2 CYS HB2 H 1 2.941 0.002 . 1 . . . . 2 CYS HB2 . 6636 1 9 . 1 1 2 2 CYS HB3 H 1 2.658 0.001 . 1 . . . . 2 CYS HB3 . 6636 1 10 . 1 1 3 3 GLY H H 1 8.891 0.000 . 1 . . . . 3 GLY HN . 6636 1 11 . 1 1 3 3 GLY HA2 H 1 4.180 0.002 . 1 . . . . 3 GLY HA1 . 6636 1 12 . 1 1 3 3 GLY HA3 H 1 3.770 0.002 . 1 . . . . 3 GLY HA2 . 6636 1 13 . 1 1 4 4 ILE H H 1 7.393 0.000 . 1 . . . . 4 ILE HN . 6636 1 14 . 1 1 4 4 ILE HA H 1 4.067 0.001 . 1 . . . . 4 ILE HA . 6636 1 15 . 1 1 4 4 ILE HB H 1 1.856 0.002 . 1 . . . . 4 ILE HB . 6636 1 16 . 1 1 4 4 ILE HG12 H 1 0.826 0.002 . 2 . . . . 4 ILE QG1 . 6636 1 17 . 1 1 4 4 ILE HG13 H 1 0.826 0.002 . 2 . . . . 4 ILE QG1 . 6636 1 18 . 1 1 4 4 ILE HG21 H 1 0.992 0.001 . 2 . . . . 4 ILE QG2 . 6636 1 19 . 1 1 4 4 ILE HG22 H 1 0.992 0.001 . 2 . . . . 4 ILE QG2 . 6636 1 20 . 1 1 4 4 ILE HG23 H 1 0.992 0.001 . 2 . . . . 4 ILE QG2 . 6636 1 21 . 1 1 4 4 ILE HD11 H 1 0.751 0.000 . 2 . . . . 4 ILE QD1 . 6636 1 22 . 1 1 4 4 ILE HD12 H 1 0.751 0.000 . 2 . . . . 4 ILE QD1 . 6636 1 23 . 1 1 4 4 ILE HD13 H 1 0.751 0.000 . 2 . . . . 4 ILE QD1 . 6636 1 24 . 1 1 5 5 LEU H H 1 7.840 0.001 . 1 . . . . 5 LEU HN . 6636 1 25 . 1 1 5 5 LEU HA H 1 3.578 0.000 . 1 . . . . 5 LEU HA . 6636 1 26 . 1 1 5 5 LEU HB2 H 1 1.335 0.000 . 1 . . . . 5 LEU HB2 . 6636 1 27 . 1 1 5 5 LEU HB3 H 1 1.143 0.001 . 1 . . . . 5 LEU HB3 . 6636 1 28 . 1 1 5 5 LEU HG H 1 0.242 0.001 . 1 . . . . 5 LEU HG . 6636 1 29 . 1 1 5 5 LEU HD11 H 1 0.740 0.003 . 2 . . . . 5 LEU QD1 . 6636 1 30 . 1 1 5 5 LEU HD12 H 1 0.740 0.003 . 2 . . . . 5 LEU QD1 . 6636 1 31 . 1 1 5 5 LEU HD13 H 1 0.740 0.003 . 2 . . . . 5 LEU QD1 . 6636 1 32 . 1 1 5 5 LEU HD21 H 1 0.601 0.003 . 2 . . . . 5 LEU QD2 . 6636 1 33 . 1 1 5 5 LEU HD22 H 1 0.601 0.003 . 2 . . . . 5 LEU QD2 . 6636 1 34 . 1 1 5 5 LEU HD23 H 1 0.601 0.003 . 2 . . . . 5 LEU QD2 . 6636 1 35 . 1 1 6 6 HIS H H 1 9.442 0.000 . 1 . . . . 6 HIS HN . 6636 1 36 . 1 1 6 6 HIS HA H 1 3.849 0.000 . 1 . . . . 6 HIS HA . 6636 1 37 . 1 1 6 6 HIS HB2 H 1 3.767 0.001 . 1 . . . . 6 HIS HB2 . 6636 1 38 . 1 1 6 6 HIS HB3 H 1 3.386 0.000 . 1 . . . . 6 HIS HB3 . 6636 1 39 . 1 1 6 6 HIS HD2 H 1 7.031 0.002 . 1 . . . . 6 HIS HD2 . 6636 1 40 . 1 1 6 6 HIS HE1 H 1 8.580 0.001 . 1 . . . . 6 HIS HE1 . 6636 1 41 . 1 1 7 7 ASP H H 1 8.600 0.000 . 1 . . . . 7 ASP HN . 6636 1 42 . 1 1 7 7 ASP HA H 1 4.557 0.001 . 1 . . . . 7 ASP HA . 6636 1 43 . 1 1 7 7 ASP HB2 H 1 2.833 0.002 . 2 . . . . 7 ASP QB . 6636 1 44 . 1 1 7 7 ASP HB3 H 1 2.833 0.002 . 2 . . . . 7 ASP QB . 6636 1 45 . 1 1 8 8 ASN H H 1 8.443 0.000 . 1 . . . . 8 ASN HN . 6636 1 46 . 1 1 8 8 ASN HA H 1 5.051 0.003 . 1 . . . . 8 ASN HA . 6636 1 47 . 1 1 8 8 ASN HB2 H 1 2.651 0.000 . 1 . . . . 8 ASN HB2 . 6636 1 48 . 1 1 8 8 ASN HB3 H 1 2.525 0.000 . 1 . . . . 8 ASN HB3 . 6636 1 49 . 1 1 8 8 ASN HD21 H 1 7.561 0.001 . 1 . . . . 8 ASN HD21 . 6636 1 50 . 1 1 8 8 ASN HD22 H 1 6.964 0.002 . 1 . . . . 8 ASN HD22 . 6636 1 51 . 1 1 9 9 CYS H H 1 8.247 0.000 . 1 . . . . 9 CYS HN . 6636 1 52 . 1 1 9 9 CYS HA H 1 4.687 0.000 . 1 . . . . 9 CYS HA . 6636 1 53 . 1 1 9 9 CYS HB2 H 1 3.076 0.002 . 1 . . . . 9 CYS HB2 . 6636 1 54 . 1 1 9 9 CYS HB3 H 1 2.586 0.005 . 1 . . . . 9 CYS HB3 . 6636 1 55 . 1 1 10 10 VAL H H 1 8.068 0.001 . 1 . . . . 10 VAL HN . 6636 1 56 . 1 1 10 10 VAL HB H 1 1.816 0.000 . 1 . . . . 10 VAL HB . 6636 1 57 . 1 1 10 10 VAL HG11 H 1 0.844 0.000 . 2 . . . . 10 VAL QG1 . 6636 1 58 . 1 1 10 10 VAL HG12 H 1 0.844 0.000 . 2 . . . . 10 VAL QG1 . 6636 1 59 . 1 1 10 10 VAL HG13 H 1 0.844 0.000 . 2 . . . . 10 VAL QG1 . 6636 1 60 . 1 1 10 10 VAL HG21 H 1 0.732 0.000 . 2 . . . . 10 VAL QG2 . 6636 1 61 . 1 1 10 10 VAL HG22 H 1 0.732 0.000 . 2 . . . . 10 VAL QG2 . 6636 1 62 . 1 1 10 10 VAL HG23 H 1 0.732 0.000 . 2 . . . . 10 VAL QG2 . 6636 1 63 . 1 1 11 11 TYR H H 1 8.604 0.000 . 1 . . . . 11 TYR HN . 6636 1 64 . 1 1 11 11 TYR HA H 1 3.974 0.001 . 1 . . . . 11 TYR HA . 6636 1 65 . 1 1 11 11 TYR HB2 H 1 2.655 0.000 . 2 . . . . 11 TYR QB . 6636 1 66 . 1 1 11 11 TYR HB3 H 1 2.655 0.000 . 2 . . . . 11 TYR QB . 6636 1 67 . 1 1 11 11 TYR HD1 H 1 6.933 0.002 . 3 . . . . 11 TYR QD . 6636 1 68 . 1 1 11 11 TYR HD2 H 1 6.933 0.002 . 3 . . . . 11 TYR QD . 6636 1 69 . 1 1 11 11 TYR HE1 H 1 6.652 0.001 . 3 . . . . 11 TYR QE . 6636 1 70 . 1 1 11 11 TYR HE2 H 1 6.652 0.001 . 3 . . . . 11 TYR QE . 6636 1 71 . 1 1 12 12 VAL H H 1 7.104 0.000 . 1 . . . . 12 VAL HN . 6636 1 72 . 1 1 12 12 VAL HA H 1 4.023 0.000 . 1 . . . . 12 VAL HA . 6636 1 73 . 1 1 12 12 VAL HB H 1 1.752 0.001 . 1 . . . . 12 VAL HB . 6636 1 74 . 1 1 12 12 VAL HG11 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 75 . 1 1 12 12 VAL HG12 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 76 . 1 1 12 12 VAL HG13 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 77 . 1 1 12 12 VAL HG21 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 78 . 1 1 12 12 VAL HG22 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 79 . 1 1 12 12 VAL HG23 H 1 0.680 0.000 . 2 . . . . 12 VAL QQG . 6636 1 80 . 1 1 13 13 PRO HA H 1 3.885 0.005 . 1 . . . . 13 PRO HA . 6636 1 81 . 1 1 13 13 PRO HB2 H 1 2.196 0.001 . 1 . . . . 13 PRO HB2 . 6636 1 82 . 1 1 13 13 PRO HB3 H 1 1.759 0.001 . 1 . . . . 13 PRO HB3 . 6636 1 83 . 1 1 13 13 PRO HG2 H 1 1.961 0.001 . 1 . . . . 13 PRO HG2 . 6636 1 84 . 1 1 13 13 PRO HG3 H 1 1.889 0.002 . 1 . . . . 13 PRO HG3 . 6636 1 85 . 1 1 13 13 PRO HD2 H 1 3.488 0.004 . 1 . . . . 13 PRO HD2 . 6636 1 86 . 1 1 13 13 PRO HD3 H 1 3.355 0.005 . 1 . . . . 13 PRO HD3 . 6636 1 87 . 1 1 14 14 ALA H H 1 8.076 0.001 . 1 . . . . 14 ALA HN . 6636 1 88 . 1 1 14 14 ALA HA H 1 3.951 0.001 . 1 . . . . 14 ALA HA . 6636 1 89 . 1 1 14 14 ALA HB1 H 1 1.300 0.000 . 2 . . . . 14 ALA QB . 6636 1 90 . 1 1 14 14 ALA HB2 H 1 1.300 0.000 . 2 . . . . 14 ALA QB . 6636 1 91 . 1 1 14 14 ALA HB3 H 1 1.300 0.000 . 2 . . . . 14 ALA QB . 6636 1 92 . 1 1 15 15 GLN H H 1 7.319 0.001 . 1 . . . . 15 GLN HN . 6636 1 93 . 1 1 15 15 GLN HA H 1 4.383 0.001 . 1 . . . . 15 GLN HA . 6636 1 94 . 1 1 15 15 GLN HB2 H 1 1.775 0.002 . 1 . . . . 15 GLN HB2 . 6636 1 95 . 1 1 15 15 GLN HB3 H 1 1.558 0.000 . 1 . . . . 15 GLN HB3 . 6636 1 96 . 1 1 15 15 GLN HG2 H 1 2.031 0.002 . 2 . . . . 15 GLN QG . 6636 1 97 . 1 1 15 15 GLN HG3 H 1 2.031 0.002 . 2 . . . . 15 GLN QG . 6636 1 98 . 1 1 16 16 ASN H H 1 8.595 0.001 . 1 . . . . 16 ASN HN . 6636 1 99 . 1 1 16 16 ASN HA H 1 4.988 0.002 . 1 . . . . 16 ASN HA . 6636 1 100 . 1 1 16 16 ASN HB2 H 1 2.961 0.002 . 1 . . . . 16 ASN HB2 . 6636 1 101 . 1 1 16 16 ASN HB3 H 1 2.735 0.001 . 1 . . . . 16 ASN HB3 . 6636 1 102 . 1 1 16 16 ASN HD21 H 1 7.449 0.000 . 1 . . . . 16 ASN HD21 . 6636 1 103 . 1 1 16 16 ASN HD22 H 1 7.127 0.001 . 1 . . . . 16 ASN HD22 . 6636 1 104 . 1 1 17 17 PRO HA H 1 4.519 0.000 . 1 . . . . 17 PRO HA . 6636 1 105 . 1 1 17 17 PRO HB2 H 1 2.222 0.001 . 2 . . . . 17 PRO QB . 6636 1 106 . 1 1 17 17 PRO HB3 H 1 2.222 0.001 . 2 . . . . 17 PRO QB . 6636 1 107 . 1 1 17 17 PRO HG2 H 1 2.023 0.001 . 1 . . . . 17 PRO HG2 . 6636 1 108 . 1 1 17 17 PRO HG3 H 1 1.951 0.000 . 1 . . . . 17 PRO HG3 . 6636 1 109 . 1 1 17 17 PRO HD2 H 1 4.092 0.001 . 1 . . . . 17 PRO HD2 . 6636 1 110 . 1 1 17 17 PRO HD3 H 1 3.819 0.001 . 1 . . . . 17 PRO HD3 . 6636 1 111 . 1 1 18 18 CYS H H 1 7.923 0.001 . 1 . . . . 18 CYS HN . 6636 1 112 . 1 1 18 18 CYS HA H 1 2.899 0.002 . 1 . . . . 18 CYS HA . 6636 1 113 . 1 1 18 18 CYS HB2 H 1 2.584 0.002 . 2 . . . . 18 CYS QB . 6636 1 114 . 1 1 18 18 CYS HB3 H 1 2.584 0.002 . 2 . . . . 18 CYS QB . 6636 1 115 . 1 1 19 19 CYS H H 1 9.507 0.000 . 1 . . . . 19 CYS HN . 6636 1 116 . 1 1 19 19 CYS HA H 1 4.295 0.001 . 1 . . . . 19 CYS HA . 6636 1 117 . 1 1 19 19 CYS HB2 H 1 3.219 0.001 . 1 . . . . 19 CYS HB2 . 6636 1 118 . 1 1 19 19 CYS HB3 H 1 2.376 0.001 . 1 . . . . 19 CYS HB3 . 6636 1 119 . 1 1 20 20 ARG H H 1 7.967 0.001 . 1 . . . . 20 ARG HN . 6636 1 120 . 1 1 20 20 ARG HA H 1 3.875 0.001 . 1 . . . . 20 ARG HA . 6636 1 121 . 1 1 20 20 ARG HB2 H 1 1.684 0.001 . 1 . . . . 20 ARG HB2 . 6636 1 122 . 1 1 20 20 ARG HB3 H 1 1.558 0.001 . 1 . . . . 20 ARG HB3 . 6636 1 123 . 1 1 20 20 ARG HG2 H 1 1.453 0.000 . 2 . . . . 20 ARG QG . 6636 1 124 . 1 1 20 20 ARG HG3 H 1 1.453 0.000 . 2 . . . . 20 ARG QG . 6636 1 125 . 1 1 20 20 ARG HD2 H 1 3.064 0.002 . 2 . . . . 20 ARG QD . 6636 1 126 . 1 1 20 20 ARG HD3 H 1 3.064 0.002 . 2 . . . . 20 ARG QD . 6636 1 127 . 1 1 20 20 ARG HE H 1 7.085 0.000 . 1 . . . . 20 ARG HE . 6636 1 128 . 1 1 21 21 GLY H H 1 8.694 0.000 . 1 . . . . 21 GLY HN . 6636 1 129 . 1 1 21 21 GLY HA2 H 1 4.160 0.001 . 1 . . . . 21 GLY HA1 . 6636 1 130 . 1 1 21 21 GLY HA3 H 1 3.497 0.000 . 1 . . . . 21 GLY HA2 . 6636 1 131 . 1 1 22 22 LEU H H 1 8.147 0.001 . 1 . . . . 22 LEU HN . 6636 1 132 . 1 1 22 22 LEU HA H 1 5.029 0.003 . 1 . . . . 22 LEU HA . 6636 1 133 . 1 1 22 22 LEU HB2 H 1 2.036 0.002 . 1 . . . . 22 LEU HB2 . 6636 1 134 . 1 1 22 22 LEU HB3 H 1 0.905 0.001 . 1 . . . . 22 LEU HB3 . 6636 1 135 . 1 1 22 22 LEU HG H 1 1.157 0.001 . 1 . . . . 22 LEU HG . 6636 1 136 . 1 1 22 22 LEU HD11 H 1 0.602 0.001 . 2 . . . . 22 LEU QD1 . 6636 1 137 . 1 1 22 22 LEU HD12 H 1 0.602 0.001 . 2 . . . . 22 LEU QD1 . 6636 1 138 . 1 1 22 22 LEU HD13 H 1 0.602 0.001 . 2 . . . . 22 LEU QD1 . 6636 1 139 . 1 1 22 22 LEU HD21 H 1 0.467 0.003 . 2 . . . . 22 LEU QD2 . 6636 1 140 . 1 1 22 22 LEU HD22 H 1 0.467 0.003 . 2 . . . . 22 LEU QD2 . 6636 1 141 . 1 1 22 22 LEU HD23 H 1 0.467 0.003 . 2 . . . . 22 LEU QD2 . 6636 1 142 . 1 1 23 23 GLN H H 1 9.398 0.001 . 1 . . . . 23 GLN HN . 6636 1 143 . 1 1 23 23 GLN HA H 1 4.462 0.000 . 1 . . . . 23 GLN HA . 6636 1 144 . 1 1 23 23 GLN HB2 H 1 1.772 0.001 . 1 . . . . 23 GLN HB2 . 6636 1 145 . 1 1 23 23 GLN HB3 H 1 1.705 0.000 . 1 . . . . 23 GLN HB3 . 6636 1 146 . 1 1 23 23 GLN HG2 H 1 2.055 0.002 . 2 . . . . 23 GLN QG . 6636 1 147 . 1 1 23 23 GLN HG3 H 1 2.055 0.002 . 2 . . . . 23 GLN QG . 6636 1 148 . 1 1 24 24 CYS H H 1 9.124 0.002 . 1 . . . . 24 CYS HN . 6636 1 149 . 1 1 24 24 CYS HA H 1 4.729 0.000 . 1 . . . . 24 CYS HA . 6636 1 150 . 1 1 24 24 CYS HB2 H 1 2.893 0.168 . 1 . . . . 24 CYS HB2 . 6636 1 151 . 1 1 24 24 CYS HB3 H 1 2.602 0.000 . 1 . . . . 24 CYS HB3 . 6636 1 152 . 1 1 25 25 ARG H H 1 9.270 0.000 . 1 . . . . 25 ARG HN . 6636 1 153 . 1 1 25 25 ARG HA H 1 4.222 0.000 . 1 . . . . 25 ARG HA . 6636 1 154 . 1 1 25 25 ARG HB2 H 1 1.421 0.003 . 2 . . . . 25 ARG QB . 6636 1 155 . 1 1 25 25 ARG HB3 H 1 1.421 0.003 . 2 . . . . 25 ARG QB . 6636 1 156 . 1 1 25 25 ARG HG2 H 1 1.210 0.004 . 1 . . . . 25 ARG HG2 . 6636 1 157 . 1 1 25 25 ARG HG3 H 1 1.037 0.002 . 1 . . . . 25 ARG HG3 . 6636 1 158 . 1 1 25 25 ARG HD2 H 1 2.931 0.002 . 2 . . . . 25 ARG QD . 6636 1 159 . 1 1 25 25 ARG HD3 H 1 2.931 0.002 . 2 . . . . 25 ARG QD . 6636 1 160 . 1 1 25 25 ARG HE H 1 7.048 0.001 . 1 . . . . 25 ARG HE . 6636 1 161 . 1 1 26 26 TYR H H 1 8.637 0.000 . 1 . . . . 26 TYR HN . 6636 1 162 . 1 1 26 26 TYR HA H 1 4.019 0.003 . 1 . . . . 26 TYR HA . 6636 1 163 . 1 1 26 26 TYR HB2 H 1 3.100 0.000 . 1 . . . . 26 TYR HB2 . 6636 1 164 . 1 1 26 26 TYR HB3 H 1 2.970 0.000 . 1 . . . . 26 TYR HB3 . 6636 1 165 . 1 1 26 26 TYR HD1 H 1 6.899 0.002 . 2 . . . . 26 TYR QD . 6636 1 166 . 1 1 26 26 TYR HD2 H 1 6.899 0.002 . 2 . . . . 26 TYR QD . 6636 1 167 . 1 1 26 26 TYR HE1 H 1 6.679 0.000 . 2 . . . . 26 TYR QE . 6636 1 168 . 1 1 26 26 TYR HE2 H 1 6.679 0.000 . 2 . . . . 26 TYR QE . 6636 1 169 . 1 1 27 27 GLY H H 1 8.201 0.001 . 1 . . . . 27 GLY HN . 6636 1 170 . 1 1 27 27 GLY HA2 H 1 4.018 0.002 . 1 . . . . 27 GLY HA1 . 6636 1 171 . 1 1 27 27 GLY HA3 H 1 3.806 0.001 . 1 . . . . 27 GLY HA2 . 6636 1 172 . 1 1 28 28 LYS H H 1 7.666 0.002 . 1 . . . . 28 LYS HN . 6636 1 173 . 1 1 28 28 LYS HA H 1 5.226 0.003 . 1 . . . . 28 LYS HA . 6636 1 174 . 1 1 28 28 LYS HB2 H 1 1.688 0.001 . 2 . . . . 28 LYS QB . 6636 1 175 . 1 1 28 28 LYS HB3 H 1 1.688 0.001 . 2 . . . . 28 LYS QB . 6636 1 176 . 1 1 28 28 LYS HG2 H 1 1.268 0.000 . 2 . . . . 28 LYS QG . 6636 1 177 . 1 1 28 28 LYS HG3 H 1 1.268 0.000 . 2 . . . . 28 LYS QG . 6636 1 178 . 1 1 28 28 LYS HD2 H 1 1.683 0.002 . 1 . . . . 28 LYS HD2 . 6636 1 179 . 1 1 28 28 LYS HD3 H 1 1.352 0.001 . 1 . . . . 28 LYS HD3 . 6636 1 180 . 1 1 28 28 LYS HE2 H 1 2.880 0.001 . 2 . . . . 28 LYS QE . 6636 1 181 . 1 1 28 28 LYS HE3 H 1 2.880 0.001 . 2 . . . . 28 LYS QE . 6636 1 182 . 1 1 28 28 LYS HZ1 H 1 7.365 0.000 . 2 . . . . 28 LYS QZ . 6636 1 183 . 1 1 28 28 LYS HZ2 H 1 7.365 0.000 . 2 . . . . 28 LYS QZ . 6636 1 184 . 1 1 28 28 LYS HZ3 H 1 7.365 0.000 . 2 . . . . 28 LYS QZ . 6636 1 185 . 1 1 29 29 CYS H H 1 8.533 0.000 . 1 . . . . 29 CYS HN . 6636 1 186 . 1 1 29 29 CYS HA H 1 4.878 0.001 . 1 . . . . 29 CYS HA . 6636 1 187 . 1 1 29 29 CYS HB2 H 1 2.942 0.002 . 1 . . . . 29 CYS HB2 . 6636 1 188 . 1 1 29 29 CYS HB3 H 1 2.336 0.001 . 1 . . . . 29 CYS HB3 . 6636 1 189 . 1 1 30 30 LEU H H 1 8.935 0.003 . 1 . . . . 30 LEU HN . 6636 1 190 . 1 1 30 30 LEU HA H 1 4.693 0.000 . 1 . . . . 30 LEU HA . 6636 1 191 . 1 1 30 30 LEU HB2 H 1 1.626 0.000 . 2 . . . . 30 LEU QB . 6636 1 192 . 1 1 30 30 LEU HB3 H 1 1.626 0.000 . 2 . . . . 30 LEU QB . 6636 1 193 . 1 1 30 30 LEU HG H 1 0.873 0.002 . 1 . . . . 30 LEU HG . 6636 1 194 . 1 1 30 30 LEU HD11 H 1 1.556 0.000 . 2 . . . . 30 LEU QD1 . 6636 1 195 . 1 1 30 30 LEU HD12 H 1 1.556 0.000 . 2 . . . . 30 LEU QD1 . 6636 1 196 . 1 1 30 30 LEU HD13 H 1 1.556 0.000 . 2 . . . . 30 LEU QD1 . 6636 1 197 . 1 1 30 30 LEU HD21 H 1 1.426 0.000 . 2 . . . . 30 LEU QD2 . 6636 1 198 . 1 1 30 30 LEU HD22 H 1 1.426 0.000 . 2 . . . . 30 LEU QD2 . 6636 1 199 . 1 1 30 30 LEU HD23 H 1 1.426 0.000 . 2 . . . . 30 LEU QD2 . 6636 1 200 . 1 1 31 31 VAL H H 1 8.067 0.000 . 1 . . . . 31 VAL HN . 6636 1 201 . 1 1 31 31 VAL HA H 1 3.701 0.000 . 1 . . . . 31 VAL HA . 6636 1 202 . 1 1 31 31 VAL HB H 1 1.816 0.001 . 1 . . . . 31 VAL HB . 6636 1 203 . 1 1 31 31 VAL HG11 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 204 . 1 1 31 31 VAL HG12 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 205 . 1 1 31 31 VAL HG13 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 206 . 1 1 31 31 VAL HG21 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 207 . 1 1 31 31 VAL HG22 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 208 . 1 1 31 31 VAL HG23 H 1 0.845 0.003 . 2 . . . . 31 VAL QQG . 6636 1 209 . 1 1 32 32 GLN H H 1 8.042 0.000 . 1 . . . . 32 GLN HN . 6636 1 210 . 1 1 32 32 GLN HA H 1 4.012 0.000 . 1 . . . . 32 GLN HA . 6636 1 211 . 1 1 32 32 GLN HB2 H 1 1.630 0.001 . 1 . . . . 32 GLN HB2 . 6636 1 212 . 1 1 32 32 GLN HB3 H 1 1.575 0.001 . 1 . . . . 32 GLN HB3 . 6636 1 213 . 1 1 32 32 GLN HG2 H 1 2.041 0.000 . 1 . . . . 32 GLN HG2 . 6636 1 214 . 1 1 32 32 GLN HG3 H 1 1.948 0.000 . 1 . . . . 32 GLN HG3 . 6636 1 215 . 1 1 33 33 VAL H H 1 8.107 0.000 . 1 . . . . 33 VAL HN . 6636 1 216 . 1 1 33 33 VAL HA H 1 3.947 0.001 . 1 . . . . 33 VAL HA . 6636 1 217 . 1 1 33 33 VAL HB H 1 1.880 0.001 . 1 . . . . 33 VAL HB . 6636 1 218 . 1 1 33 33 VAL HG11 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 219 . 1 1 33 33 VAL HG12 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 220 . 1 1 33 33 VAL HG13 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 221 . 1 1 33 33 VAL HG21 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 222 . 1 1 33 33 VAL HG22 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 223 . 1 1 33 33 VAL HG23 H 1 0.791 0.001 . 2 . . . . 33 VAL QQG . 6636 1 224 . 1 1 34 34 HSL H H 1 8.722 0.000 . 1 . . . . 34 HSL HN . 6636 1 225 . 1 1 34 34 HSL HA H 1 4.440 0.001 . 1 . . . . 34 HSL HA . 6636 1 226 . 1 1 34 34 HSL HB1 H 1 4.227 0.001 . 2 . . . . 34 HSL QB . 6636 1 227 . 1 1 34 34 HSL HB2 H 1 4.227 0.001 . 2 . . . . 34 HSL QB . 6636 1 228 . 1 1 34 34 HSL HG2 H 1 2.460 0.001 . 1 . . . . 34 HSL HG2 . 6636 1 229 . 1 1 34 34 HSL HG3 H 1 2.207 0.000 . 1 . . . . 34 HSL HG3 . 6636 1 stop_ save_