################################### # 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_nmr_parameters _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nmr_parameters _Assigned_chem_shift_list.Entry_ID 6131 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6131 1 . . 2 $sample_2 . 6131 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 VAL H H 1 7.946 0.001 . 1 . . . . 1 . . . 6131 1 2 . 1 1 2 2 VAL HA H 1 3.788 0.003 . 1 . . . . 1 . . . 6131 1 3 . 1 1 2 2 VAL HB H 1 1.552 0.005 . 1 . . . . 1 . . . 6131 1 4 . 1 1 2 2 VAL HG11 H 1 0.644 0.005 . 1 . . . . 1 . . . 6131 1 5 . 1 1 2 2 VAL HG12 H 1 0.644 0.005 . 1 . . . . 1 . . . 6131 1 6 . 1 1 2 2 VAL HG13 H 1 0.644 0.005 . 1 . . . . 1 . . . 6131 1 7 . 1 1 2 2 VAL HG21 H 1 0.236 0.003 . 1 . . . . 1 . . . 6131 1 8 . 1 1 2 2 VAL HG22 H 1 0.236 0.003 . 1 . . . . 1 . . . 6131 1 9 . 1 1 2 2 VAL HG23 H 1 0.236 0.003 . 1 . . . . 1 . . . 6131 1 10 . 1 1 3 3 LYS H H 1 8.029 0.004 . 1 . . . . 2 . . . 6131 1 11 . 1 1 3 3 LYS HA H 1 4.028 0.006 . 1 . . . . 2 . . . 6131 1 12 . 1 1 3 3 LYS HD2 H 1 2.676 0.004 . 1 . . . . 2 . . . 6131 1 13 . 1 1 3 3 LYS HB2 H 1 1.563 0.009 . 2 . . . . 2 . . . 6131 1 14 . 1 1 3 3 LYS HG2 H 1 1.190 0.008 . 1 . . . . 2 . . . 6131 1 15 . 1 1 3 3 LYS HG3 H 1 1.017 0.006 . 1 . . . . 2 . . . 6131 1 16 . 1 1 3 3 LYS HD3 H 1 2.834 0.010 . 1 . . . . 2 . . . 6131 1 17 . 1 1 4 4 TYR H H 1 8.135 0.005 . 1 . . . . 3 . . . 6131 1 18 . 1 1 4 4 TYR HA H 1 5.602 0.006 . 1 . . . . 3 . . . 6131 1 19 . 1 1 4 4 TYR HB2 H 1 2.741 0.006 . 1 . . . . 3 . . . 6131 1 20 . 1 1 4 4 TYR HB3 H 1 2.573 0.007 . 1 . . . . 3 . . . 6131 1 21 . 1 1 4 4 TYR HD1 H 1 6.757 0.004 . 1 . . . . 3 . . . 6131 1 22 . 1 1 4 4 TYR HE1 H 1 6.484 0.001 . 1 . . . . 3 . . . 6131 1 23 . 1 1 5 5 TYR H H 1 8.652 0.006 . 1 . . . . 4 . . . 6131 1 24 . 1 1 5 5 TYR HA H 1 5.062 0.004 . 1 . . . . 4 . . . 6131 1 25 . 1 1 5 5 TYR HB2 H 1 3.080 0.007 . 1 . . . . 4 . . . 6131 1 26 . 1 1 5 5 TYR HB3 H 1 2.370 0.007 . 1 . . . . 4 . . . 6131 1 27 . 1 1 5 5 TYR HD1 H 1 6.804 0.006 . 2 . . . . 4 . . . 6131 1 28 . 1 1 5 5 TYR HE1 H 1 6.433 0.008 . 1 . . . . 4 . . . 6131 1 29 . 1 1 6 6 THR H H 1 9.170 0.005 . 1 . . . . 5 . . . 6131 1 30 . 1 1 6 6 THR HA H 1 4.495 0.003 . 1 . . . . 5 . . . 6131 1 31 . 1 1 6 6 THR HB H 1 4.772 0.007 . 1 . . . . 5 . . . 6131 1 32 . 1 1 6 6 THR HG21 H 1 1.127 0.003 . 1 . . . . 5 . . . 6131 1 33 . 1 1 6 6 THR HG22 H 1 1.127 0.003 . 1 . . . . 5 . . . 6131 1 34 . 1 1 6 6 THR HG23 H 1 1.127 0.003 . 1 . . . . 5 . . . 6131 1 35 . 1 1 7 7 LEU H H 1 9.493 0.002 . 1 . . . . 6 . . . 6131 1 36 . 1 1 7 7 LEU HA H 1 3.913 0.006 . 1 . . . . 6 . . . 6131 1 37 . 1 1 7 7 LEU HB2 H 1 1.630 0.002 . 1 . . . . 6 . . . 6131 1 38 . 1 1 7 7 LEU HB3 H 1 1.485 0.006 . 1 . . . . 6 . . . 6131 1 39 . 1 1 7 7 LEU HG H 1 1.604 0.002 . 1 . . . . 6 . . . 6131 1 40 . 1 1 7 7 LEU HD11 H 1 0.894 0.002 . 1 . . . . 6 . . . 6131 1 41 . 1 1 7 7 LEU HD12 H 1 0.894 0.002 . 1 . . . . 6 . . . 6131 1 42 . 1 1 7 7 LEU HD13 H 1 0.894 0.002 . 1 . . . . 6 . . . 6131 1 43 . 1 1 7 7 LEU HD21 H 1 0.859 0.001 . 1 . . . . 6 . . . 6131 1 44 . 1 1 7 7 LEU HD22 H 1 0.859 0.001 . 1 . . . . 6 . . . 6131 1 45 . 1 1 7 7 LEU HD23 H 1 0.859 0.001 . 1 . . . . 6 . . . 6131 1 46 . 1 1 8 8 GLU H H 1 8.360 0.001 . 1 . . . . 7 . . . 6131 1 47 . 1 1 8 8 GLU HA H 1 3.828 0.002 . 1 . . . . 7 . . . 6131 1 48 . 1 1 8 8 GLU HG2 H 1 2.060 0.005 . 1 . . . . 7 . . . 6131 1 49 . 1 1 8 8 GLU HB2 H 1 1.961 0.003 . 1 . . . . 7 . . . 6131 1 50 . 1 1 8 8 GLU HB3 H 1 1.863 0.006 . 1 . . . . 7 . . . 6131 1 51 . 1 1 8 8 GLU HG3 H 1 2.213 0.009 . 1 . . . . 7 . . . 6131 1 52 . 1 1 9 9 GLU H H 1 7.609 0.001 . 1 . . . . 8 . . . 6131 1 53 . 1 1 9 9 GLU HA H 1 3.986 0.003 . 1 . . . . 8 . . . 6131 1 54 . 1 1 9 9 GLU HB2 H 1 2.334 0.003 . 1 . . . . 8 . . . 6131 1 55 . 1 1 9 9 GLU HB3 H 1 2.205 0.007 . 1 . . . . 8 . . . 6131 1 56 . 1 1 9 9 GLU HG2 H 1 2.632 0.009 . 2 . . . . 8 . . . 6131 1 57 . 1 1 10 10 ILE H H 1 8.448 0.004 . 1 . . . . 9 . . . 6131 1 58 . 1 1 10 10 ILE HA H 1 3.510 0.005 . 1 . . . . 9 . . . 6131 1 59 . 1 1 10 10 ILE HB H 1 1.773 0.006 . 1 . . . . 9 . . . 6131 1 60 . 1 1 10 10 ILE HG21 H 1 0.673 0.005 . 1 . . . . 9 . . . 6131 1 61 . 1 1 10 10 ILE HG22 H 1 0.673 0.005 . 1 . . . . 9 . . . 6131 1 62 . 1 1 10 10 ILE HG23 H 1 0.673 0.005 . 1 . . . . 9 . . . 6131 1 63 . 1 1 11 11 GLN H H 1 8.169 0.004 . 1 . . . . 10 . . . 6131 1 64 . 1 1 11 11 GLN HA H 1 4.266 0.005 . 1 . . . . 10 . . . 6131 1 65 . 1 1 11 11 GLN HB2 H 1 2.049 0.005 . 1 . . . . 10 . . . 6131 1 66 . 1 1 11 11 GLN HB3 H 1 1.874 0.009 . 1 . . . . 10 . . . 6131 1 67 . 1 1 11 11 GLN HG2 H 1 2.539 0.007 . 1 . . . . 10 . . . 6131 1 68 . 1 1 12 12 LYS H H 1 7.101 0.003 . 1 . . . . 11 . . . 6131 1 69 . 1 1 12 12 LYS HA H 1 3.891 0.006 . 1 . . . . 11 . . . 6131 1 70 . 1 1 12 12 LYS HB2 H 1 1.343 0.005 . 1 . . . . 11 . . . 6131 1 71 . 1 1 12 12 LYS HB3 H 1 1.261 0.004 . 1 . . . . 11 . . . 6131 1 72 . 1 1 12 12 LYS HG2 H 1 1.236 0.008 . 1 . . . . 11 . . . 6131 1 73 . 1 1 12 12 LYS HE2 H 1 2.817 0.004 . 1 . . . . 11 . . . 6131 1 74 . 1 1 13 13 HIS H H 1 7.763 0.005 . 1 . . . . 12 . . . 6131 1 75 . 1 1 13 13 HIS HA H 1 4.004 0.007 . 1 . . . . 12 . . . 6131 1 76 . 1 1 13 13 HIS HB2 H 1 2.315 0.005 . 1 . . . . 12 . . . 6131 1 77 . 1 1 13 13 HIS HB3 H 1 1.902 0.006 . 1 . . . . 12 . . . 6131 1 78 . 1 1 13 13 HIS HD2 H 1 6.789 0.005 . 1 . . . . 12 . . . 6131 1 79 . 1 1 13 13 HIS HE1 H 1 7.817 0.003 . 1 . . . . 12 . . . 6131 1 80 . 1 1 14 14 ASN H H 1 7.263 0.004 . 1 . . . . 13 . . . 6131 1 81 . 1 1 14 14 ASN HA H 1 4.653 0.006 . 1 . . . . 13 . . . 6131 1 82 . 1 1 14 14 ASN HB2 H 1 2.884 0.005 . 1 . . . . 13 . . . 6131 1 83 . 1 1 14 14 ASN HB3 H 1 2.227 0.006 . 1 . . . . 13 . . . 6131 1 84 . 1 1 14 14 ASN HD21 H 1 7.419 0.002 . 1 . . . . 13 . . . 6131 1 85 . 1 1 14 14 ASN HD22 H 1 6.515 0.003 . 1 . . . . 13 . . . 6131 1 86 . 1 1 15 15 ASN H H 1 8.028 0.002 . 1 . . . . 14 . . . 6131 1 87 . 1 1 15 15 ASN HA H 1 4.986 0.002 . 1 . . . . 14 . . . 6131 1 88 . 1 1 15 15 ASN HB2 H 1 3.102 0.007 . 1 . . . . 14 . . . 6131 1 89 . 1 1 15 15 ASN HB3 H 1 2.680 0.003 . 1 . . . . 14 . . . 6131 1 90 . 1 1 15 15 ASN HD22 H 1 7.415 0.003 . 1 . . . . 14 . . . 6131 1 91 . 1 1 16 16 SER H H 1 7.237 0.004 . 1 . . . . 15 . . . 6131 1 92 . 1 1 16 16 SER HA H 1 4.206 0.001 . 1 . . . . 15 . . . 6131 1 93 . 1 1 16 16 SER HB2 H 1 3.536 0.001 . 2 . . . . 15 . . . 6131 1 94 . 1 1 17 17 LYS H H 1 7.857 0.003 . 1 . . . . 16 . . . 6131 1 95 . 1 1 17 17 LYS HA H 1 4.205 0.003 . 1 . . . . 16 . . . 6131 1 96 . 1 1 17 17 LYS HG2 H 1 1.442 0.004 . 1 . . . . 16 . . . 6131 1 97 . 1 1 17 17 LYS HB2 H 1 1.811 0.006 . 1 . . . . 16 . . . 6131 1 98 . 1 1 17 17 LYS HB3 H 1 1.753 0.006 . 1 . . . . 16 . . . 6131 1 99 . 1 1 17 17 LYS HG3 H 1 1.354 0.003 . 1 . . . . 16 . . . 6131 1 100 . 1 1 17 17 LYS HD2 H 1 1.621 0.006 . 1 . . . . 16 . . . 6131 1 101 . 1 1 17 17 LYS HE2 H 1 3.112 0.003 . 1 . . . . 16 . . . 6131 1 102 . 1 1 18 18 SER H H 1 7.246 0.008 . 1 . . . . 17 . . . 6131 1 103 . 1 1 18 18 SER HA H 1 4.858 0.008 . 1 . . . . 17 . . . 6131 1 104 . 1 1 18 18 SER HB2 H 1 3.861 0.002 . 1 . . . . 17 . . . 6131 1 105 . 1 1 18 18 SER HB3 H 1 3.614 0.004 . 1 . . . . 17 . . . 6131 1 106 . 1 1 19 19 THR H H 1 8.955 0.009 . 1 . . . . 18 . . . 6131 1 107 . 1 1 19 19 THR HA H 1 4.380 0.009 . 1 . . . . 18 . . . 6131 1 108 . 1 1 19 19 THR HB H 1 3.678 0.007 . 1 . . . . 18 . . . 6131 1 109 . 1 1 19 19 THR HG21 H 1 0.757 0.004 . 1 . . . . 18 . . . 6131 1 110 . 1 1 19 19 THR HG22 H 1 0.757 0.004 . 1 . . . . 18 . . . 6131 1 111 . 1 1 19 19 THR HG23 H 1 0.757 0.004 . 1 . . . . 18 . . . 6131 1 112 . 1 1 20 20 TRP H H 1 8.778 0.006 . 1 . . . . 19 . . . 6131 1 113 . 1 1 20 20 TRP HA H 1 6.107 0.004 . 1 . . . . 19 . . . 6131 1 114 . 1 1 20 20 TRP HD1 H 1 6.737 0.005 . 1 . . . . 19 . . . 6131 1 115 . 1 1 20 20 TRP HB2 H 1 2.835 0.007 . 1 . . . . 19 . . . 6131 1 116 . 1 1 20 20 TRP HB3 H 1 2.655 0.006 . 1 . . . . 19 . . . 6131 1 117 . 1 1 20 20 TRP HE3 H 1 6.570 0.003 . 1 . . . . 19 . . . 6131 1 118 . 1 1 20 20 TRP HE1 H 1 8.640 0.005 . 1 . . . . 19 . . . 6131 1 119 . 1 1 20 20 TRP HZ3 H 1 5.646 0.005 . 1 . . . . 19 . . . 6131 1 120 . 1 1 20 20 TRP HZ2 H 1 6.485 0.003 . 1 . . . . 19 . . . 6131 1 121 . 1 1 20 20 TRP HH2 H 1 6.278 0.004 . 1 . . . . 19 . . . 6131 1 122 . 1 1 21 21 LEU H H 1 8.317 0.005 . 1 . . . . 20 . . . 6131 1 123 . 1 1 21 21 LEU HA H 1 4.388 0.007 . 1 . . . . 20 . . . 6131 1 124 . 1 1 21 21 LEU HB2 H 1 1.261 0.007 . 1 . . . . 20 . . . 6131 1 125 . 1 1 21 21 LEU HB3 H 1 0.625 0.008 . 1 . . . . 20 . . . 6131 1 126 . 1 1 21 21 LEU HD11 H 1 -0.732 0.005 . 1 . . . . 20 . . . 6131 1 127 . 1 1 21 21 LEU HD12 H 1 -0.732 0.005 . 1 . . . . 20 . . . 6131 1 128 . 1 1 21 21 LEU HD13 H 1 -0.732 0.005 . 1 . . . . 20 . . . 6131 1 129 . 1 1 21 21 LEU HD21 H 1 -0.842 0.003 . 1 . . . . 20 . . . 6131 1 130 . 1 1 21 21 LEU HD22 H 1 -0.842 0.003 . 1 . . . . 20 . . . 6131 1 131 . 1 1 21 21 LEU HD23 H 1 -0.842 0.003 . 1 . . . . 20 . . . 6131 1 132 . 1 1 21 21 LEU HG H 1 0.756 0.005 . 1 . . . . 20 . . . 6131 1 133 . 1 1 22 22 ILE H H 1 8.020 0.010 . 1 . . . . 21 . . . 6131 1 134 . 1 1 22 22 ILE HA H 1 4.932 0.004 . 1 . . . . 21 . . . 6131 1 135 . 1 1 22 22 ILE HB H 1 1.214 0.003 . 1 . . . . 21 . . . 6131 1 136 . 1 1 22 22 ILE HG21 H 1 0.553 0.004 . 1 . . . . 21 . . . 6131 1 137 . 1 1 22 22 ILE HG22 H 1 0.553 0.004 . 1 . . . . 21 . . . 6131 1 138 . 1 1 22 22 ILE HG23 H 1 0.553 0.004 . 1 . . . . 21 . . . 6131 1 139 . 1 1 22 22 ILE HG12 H 1 0.763 0.004 . 1 . . . . 21 . . . 6131 1 140 . 1 1 22 22 ILE HG13 H 1 0.500 0.002 . 1 . . . . 21 . . . 6131 1 141 . 1 1 23 23 LEU H H 1 8.341 0.008 . 1 . . . . 22 . . . 6131 1 142 . 1 1 23 23 LEU HA H 1 4.357 0.007 . 1 . . . . 22 . . . 6131 1 143 . 1 1 23 23 LEU HB2 H 1 1.245 0.008 . 1 . . . . 22 . . . 6131 1 144 . 1 1 23 23 LEU HB3 H 1 0.138 0.005 . 1 . . . . 22 . . . 6131 1 145 . 1 1 23 23 LEU HG H 1 -0.232 0.004 . 1 . . . . 22 . . . 6131 1 146 . 1 1 23 23 LEU HD11 H 1 -2.160 0.002 . 1 . . . . 22 . . . 6131 1 147 . 1 1 23 23 LEU HD12 H 1 -2.160 0.002 . 1 . . . . 22 . . . 6131 1 148 . 1 1 23 23 LEU HD13 H 1 -2.160 0.002 . 1 . . . . 22 . . . 6131 1 149 . 1 1 23 23 LEU HD21 H 1 -0.840 0.003 . 1 . . . . 22 . . . 6131 1 150 . 1 1 23 23 LEU HD22 H 1 -0.840 0.003 . 1 . . . . 22 . . . 6131 1 151 . 1 1 23 23 LEU HD23 H 1 -0.840 0.003 . 1 . . . . 22 . . . 6131 1 152 . 1 1 24 24 HIS H H 1 9.206 0.005 . 1 . . . . 23 . . . 6131 1 153 . 1 1 24 24 HIS HA H 1 3.730 0.006 . 1 . . . . 23 . . . 6131 1 154 . 1 1 24 24 HIS HD2 H 1 7.053 0.003 . 1 . . . . 23 . . . 6131 1 155 . 1 1 24 24 HIS HB2 H 1 3.094 0.005 . 2 . . . . 23 . . . 6131 1 156 . 1 1 24 24 HIS HE1 H 1 7.976 0.000 . 1 . . . . 23 . . . 6131 1 157 . 1 1 25 25 TYR H H 1 8.212 0.005 . 1 . . . . 24 . . . 6131 1 158 . 1 1 25 25 TYR HA H 1 3.732 0.008 . 1 . . . . 24 . . . 6131 1 159 . 1 1 25 25 TYR HB2 H 1 3.423 0.005 . 1 . . . . 24 . . . 6131 1 160 . 1 1 25 25 TYR HB3 H 1 3.189 0.004 . 1 . . . . 24 . . . 6131 1 161 . 1 1 25 25 TYR HD1 H 1 6.994 0.003 . 1 . . . . 24 . . . 6131 1 162 . 1 1 25 25 TYR HE1 H 1 6.909 0.004 . 1 . . . . 24 . . . 6131 1 163 . 1 1 26 26 LYS H H 1 8.245 0.005 . 1 . . . . 25 . . . 6131 1 164 . 1 1 26 26 LYS HA H 1 4.644 0.002 . 1 . . . . 25 . . . 6131 1 165 . 1 1 26 26 LYS HD2 H 1 1.493 0.002 . 1 . . . . 25 . . . 6131 1 166 . 1 1 26 26 LYS HB2 H 1 2.077 0.008 . 2 . . . . 25 . . . 6131 1 167 . 1 1 26 26 LYS HG2 H 1 1.705 0.002 . 1 . . . . 25 . . . 6131 1 168 . 1 1 26 26 LYS HG3 H 1 1.560 0.003 . 1 . . . . 25 . . . 6131 1 169 . 1 1 26 26 LYS HD3 H 1 1.262 0.004 . 1 . . . . 25 . . . 6131 1 170 . 1 1 27 27 VAL H H 1 8.287 0.007 . 1 . . . . 26 . . . 6131 1 171 . 1 1 27 27 VAL HA H 1 3.998 0.003 . 1 . . . . 26 . . . 6131 1 172 . 1 1 27 27 VAL HB H 1 0.937 0.003 . 1 . . . . 26 . . . 6131 1 173 . 1 1 27 27 VAL HG11 H 1 -0.033 0.004 . 1 . . . . 26 . . . 6131 1 174 . 1 1 27 27 VAL HG12 H 1 -0.033 0.004 . 1 . . . . 26 . . . 6131 1 175 . 1 1 27 27 VAL HG13 H 1 -0.033 0.004 . 1 . . . . 26 . . . 6131 1 176 . 1 1 27 27 VAL HG21 H 1 0.578 0.008 . 1 . . . . 26 . . . 6131 1 177 . 1 1 27 27 VAL HG22 H 1 0.578 0.008 . 1 . . . . 26 . . . 6131 1 178 . 1 1 27 27 VAL HG23 H 1 0.578 0.008 . 1 . . . . 26 . . . 6131 1 179 . 1 1 28 28 TYR H H 1 8.774 0.006 . 1 . . . . 27 . . . 6131 1 180 . 1 1 28 28 TYR HA H 1 4.374 0.004 . 1 . . . . 27 . . . 6131 1 181 . 1 1 28 28 TYR HB2 H 1 2.063 0.005 . 1 . . . . 27 . . . 6131 1 182 . 1 1 28 28 TYR HB3 H 1 1.705 0.008 . 1 . . . . 27 . . . 6131 1 183 . 1 1 28 28 TYR HD1 H 1 6.455 0.005 . 2 . . . . 27 . . . 6131 1 184 . 1 1 28 28 TYR HE1 H 1 6.299 0.006 . 1 . . . . 27 . . . 6131 1 185 . 1 1 29 29 ASP H H 1 8.042 0.007 . 1 . . . . 28 . . . 6131 1 186 . 1 1 29 29 ASP HA H 1 4.919 0.005 . 1 . . . . 28 . . . 6131 1 187 . 1 1 29 29 ASP HB2 H 1 1.714 0.006 . 1 . . . . 28 . . . 6131 1 188 . 1 1 29 29 ASP HB3 H 1 2.815 0.004 . 1 . . . . 28 . . . 6131 1 189 . 1 1 30 30 LEU H H 1 8.288 0.005 . 1 . . . . 29 . . . 6131 1 190 . 1 1 30 30 LEU HA H 1 4.123 0.003 . 1 . . . . 29 . . . 6131 1 191 . 1 1 30 30 LEU HB2 H 1 0.902 0.004 . 1 . . . . 29 . . . 6131 1 192 . 1 1 30 30 LEU HB3 H 1 1.534 0.002 . 1 . . . . 29 . . . 6131 1 193 . 1 1 30 30 LEU HG H 1 0.787 0.005 . 1 . . . . 29 . . . 6131 1 194 . 1 1 30 30 LEU HD11 H 1 -0.315 0.003 . 1 . . . . 29 . . . 6131 1 195 . 1 1 30 30 LEU HD12 H 1 -0.315 0.003 . 1 . . . . 29 . . . 6131 1 196 . 1 1 30 30 LEU HD13 H 1 -0.315 0.003 . 1 . . . . 29 . . . 6131 1 197 . 1 1 30 30 LEU HD21 H 1 -0.744 0.007 . 1 . . . . 29 . . . 6131 1 198 . 1 1 30 30 LEU HD22 H 1 -0.744 0.007 . 1 . . . . 29 . . . 6131 1 199 . 1 1 30 30 LEU HD23 H 1 -0.744 0.007 . 1 . . . . 29 . . . 6131 1 200 . 1 1 31 31 THR H H 1 8.617 0.008 . 1 . . . . 30 . . . 6131 1 201 . 1 1 31 31 THR HA H 1 3.689 0.008 . 1 . . . . 30 . . . 6131 1 202 . 1 1 31 31 THR HB H 1 4.320 0.006 . 1 . . . . 30 . . . 6131 1 203 . 1 1 31 31 THR HG21 H 1 1.352 0.002 . 1 . . . . 30 . . . 6131 1 204 . 1 1 31 31 THR HG22 H 1 1.352 0.002 . 1 . . . . 30 . . . 6131 1 205 . 1 1 31 31 THR HG23 H 1 1.352 0.002 . 1 . . . . 30 . . . 6131 1 206 . 1 1 32 32 LYS H H 1 8.850 0.006 . 1 . . . . 31 . . . 6131 1 207 . 1 1 32 32 LYS HA H 1 4.536 0.006 . 1 . . . . 31 . . . 6131 1 208 . 1 1 32 32 LYS HB2 H 1 1.929 0.008 . 1 . . . . 31 . . . 6131 1 209 . 1 1 32 32 LYS HB3 H 1 1.831 0.006 . 1 . . . . 31 . . . 6131 1 210 . 1 1 32 32 LYS HD2 H 1 2.162 0.006 . 2 . . . . 31 . . . 6131 1 211 . 1 1 32 32 LYS HG2 H 1 1.671 0.001 . 1 . . . . 31 . . . 6131 1 212 . 1 1 32 32 LYS HG3 H 1 1.595 0.003 . 1 . . . . 31 . . . 6131 1 213 . 1 1 32 32 LYS HE2 H 1 3.189 0.004 . 1 . . . . 31 . . . 6131 1 214 . 1 1 33 33 PHE H H 1 8.056 0.007 . 1 . . . . 32 . . . 6131 1 215 . 1 1 33 33 PHE HA H 1 5.116 0.005 . 1 . . . . 32 . . . 6131 1 216 . 1 1 33 33 PHE HB2 H 1 2.903 0.002 . 1 . . . . 32 . . . 6131 1 217 . 1 1 33 33 PHE HB3 H 1 2.539 0.006 . 1 . . . . 32 . . . 6131 1 218 . 1 1 33 33 PHE HD1 H 1 7.438 0.003 . 1 . . . . 32 . . . 6131 1 219 . 1 1 33 33 PHE HE1 H 1 8.466 0.005 . 1 . . . . 32 . . . 6131 1 220 . 1 1 33 33 PHE HZ H 1 7.720 0.002 . 1 . . . . 32 . . . 6131 1 221 . 1 1 34 34 LEU H H 1 7.828 0.002 . 1 . . . . 33 . . . 6131 1 222 . 1 1 34 34 LEU HA H 1 4.907 0.004 . 1 . . . . 33 . . . 6131 1 223 . 1 1 34 34 LEU HB2 H 1 2.372 0.009 . 1 . . . . 33 . . . 6131 1 224 . 1 1 34 34 LEU HB3 H 1 2.157 0.006 . 1 . . . . 33 . . . 6131 1 225 . 1 1 34 34 LEU HG H 1 2.438 0.005 . 1 . . . . 33 . . . 6131 1 226 . 1 1 34 34 LEU HD11 H 1 1.262 0.003 . 1 . . . . 33 . . . 6131 1 227 . 1 1 34 34 LEU HD12 H 1 1.262 0.003 . 1 . . . . 33 . . . 6131 1 228 . 1 1 34 34 LEU HD13 H 1 1.262 0.003 . 1 . . . . 33 . . . 6131 1 229 . 1 1 34 34 LEU HD21 H 1 1.190 0.004 . 1 . . . . 33 . . . 6131 1 230 . 1 1 34 34 LEU HD22 H 1 1.190 0.004 . 1 . . . . 33 . . . 6131 1 231 . 1 1 34 34 LEU HD23 H 1 1.190 0.004 . 1 . . . . 33 . . . 6131 1 232 . 1 1 35 35 GLU H H 1 8.640 0.006 . 1 . . . . 34 . . . 6131 1 233 . 1 1 35 35 GLU HA H 1 4.911 0.004 . 1 . . . . 34 . . . 6131 1 234 . 1 1 35 35 GLU HB2 H 1 2.518 0.005 . 1 . . . . 34 . . . 6131 1 235 . 1 1 35 35 GLU HB3 H 1 2.342 0.006 . 1 . . . . 34 . . . 6131 1 236 . 1 1 35 35 GLU HG2 H 1 2.683 0.003 . 1 . . . . 34 . . . 6131 1 237 . 1 1 36 36 GLU HA H 1 4.806 0.004 . 1 . . . . 35 . . . 6131 1 238 . 1 1 36 36 GLU HB2 H 1 2.379 0.011 . 1 . . . . 35 . . . 6131 1 239 . 1 1 36 36 GLU HB3 H 1 2.506 0.005 . 1 . . . . 35 . . . 6131 1 240 . 1 1 36 36 GLU HG2 H 1 2.663 0.003 . 1 . . . . 35 . . . 6131 1 241 . 1 1 36 36 GLU HG3 H 1 2.577 0.002 . 1 . . . . 35 . . . 6131 1 242 . 1 1 36 36 GLU H H 1 8.234 0.007 . 1 . . . . 35 . . . 6131 1 243 . 1 1 37 37 HIS H H 1 8.862 0.007 . 1 . . . . 36 . . . 6131 1 244 . 1 1 37 37 HIS HA H 1 6.757 0.003 . 1 . . . . 36 . . . 6131 1 245 . 1 1 37 37 HIS HB2 H 1 7.415 0.005 . 1 . . . . 36 . . . 6131 1 246 . 1 1 38 38 PRO HA H 1 3.934 0.002 . 1 . . . . 37 . . . 6131 1 247 . 1 1 38 38 PRO HB2 H 1 0.657 0.002 . 1 . . . . 37 . . . 6131 1 248 . 1 1 38 38 PRO HB3 H 1 0.737 0.000 . 1 . . . . 37 . . . 6131 1 249 . 1 1 38 38 PRO HG2 H 1 -0.387 0.005 . 1 . . . . 37 . . . 6131 1 250 . 1 1 38 38 PRO HG3 H 1 1.226 0.004 . 1 . . . . 37 . . . 6131 1 251 . 1 1 39 39 GLY H H 1 8.055 0.001 . 1 . . . . 38 . . . 6131 1 252 . 1 1 39 39 GLY HA2 H 1 4.542 0.003 . 1 . . . . 38 . . . 6131 1 253 . 1 1 39 39 GLY HA3 H 1 4.250 0.002 . 1 . . . . 38 . . . 6131 1 254 . 1 1 40 40 GLY H H 1 10.455 0.007 . 1 . . . . 39 . . . 6131 1 255 . 1 1 40 40 GLY HA2 H 1 5.622 0.009 . 1 . . . . 39 . . . 6131 1 256 . 1 1 40 40 GLY HA3 H 1 6.087 0.069 . 1 . . . . 39 . . . 6131 1 257 . 1 1 41 41 GLU H H 1 10.177 0.003 . 1 . . . . 40 . . . 6131 1 258 . 1 1 41 41 GLU HA H 1 5.984 0.009 . 1 . . . . 40 . . . 6131 1 259 . 1 1 41 41 GLU HB2 H 1 2.990 0.008 . 1 . . . . 40 . . . 6131 1 260 . 1 1 41 41 GLU HB3 H 1 2.942 0.005 . 1 . . . . 40 . . . 6131 1 261 . 1 1 42 42 GLU H H 1 9.990 0.003 . 1 . . . . 41 . . . 6131 1 262 . 1 1 42 42 GLU HA H 1 4.248 0.005 . 1 . . . . 41 . . . 6131 1 263 . 1 1 42 42 GLU HB2 H 1 2.389 0.004 . 1 . . . . 41 . . . 6131 1 264 . 1 1 42 42 GLU HB3 H 1 2.319 0.005 . 1 . . . . 41 . . . 6131 1 265 . 1 1 43 43 HIS H H 1 9.394 0.007 . 1 . . . . 42 . . . 6131 1 266 . 1 1 43 43 HIS HA H 1 4.806 0.003 . 1 . . . . 42 . . . 6131 1 267 . 1 1 43 43 HIS HB2 H 1 2.163 0.006 . 2 . . . . 42 . . . 6131 1 268 . 1 1 44 44 LEU H H 1 7.912 0.004 . 1 . . . . 43 . . . 6131 1 269 . 1 1 44 44 LEU HA H 1 2.975 0.004 . 1 . . . . 43 . . . 6131 1 270 . 1 1 44 44 LEU HB2 H 1 2.629 0.009 . 2 . . . . 43 . . . 6131 1 271 . 1 1 44 44 LEU HG H 1 0.762 0.010 . 1 . . . . 43 . . . 6131 1 272 . 1 1 44 44 LEU HD11 H 1 1.190 0.003 . 1 . . . . 43 . . . 6131 1 273 . 1 1 44 44 LEU HD12 H 1 1.190 0.003 . 1 . . . . 43 . . . 6131 1 274 . 1 1 44 44 LEU HD13 H 1 1.190 0.003 . 1 . . . . 43 . . . 6131 1 275 . 1 1 45 45 ARG H H 1 8.318 0.007 . 1 . . . . 44 . . . 6131 1 276 . 1 1 45 45 ARG HA H 1 3.881 0.003 . 1 . . . . 44 . . . 6131 1 277 . 1 1 45 45 ARG HB2 H 1 1.982 0.010 . 1 . . . . 44 . . . 6131 1 278 . 1 1 45 45 ARG HB3 H 1 1.901 0.003 . 1 . . . . 44 . . . 6131 1 279 . 1 1 45 45 ARG HG2 H 1 1.713 0.006 . 2 . . . . 44 . . . 6131 1 280 . 1 1 45 45 ARG HD2 H 1 3.318 0.003 . 1 . . . . 44 . . . 6131 1 281 . 1 1 46 46 GLU H H 1 8.024 0.005 . 1 . . . . 45 . . . 6131 1 282 . 1 1 46 46 GLU HA H 1 3.932 0.003 . 1 . . . . 45 . . . 6131 1 283 . 1 1 46 46 GLU HB2 H 1 1.864 0.004 . 1 . . . . 45 . . . 6131 1 284 . 1 1 46 46 GLU HB3 H 1 1.960 0.006 . 1 . . . . 45 . . . 6131 1 285 . 1 1 46 46 GLU HG2 H 1 2.210 0.000 . 1 . . . . 45 . . . 6131 1 286 . 1 1 46 46 GLU HG3 H 1 2.295 0.004 . 1 . . . . 45 . . . 6131 1 287 . 1 1 47 47 GLN H H 1 6.684 0.005 . 1 . . . . 46 . . . 6131 1 288 . 1 1 47 47 GLN HA H 1 4.080 0.004 . 1 . . . . 46 . . . 6131 1 289 . 1 1 47 47 GLN HB2 H 1 1.352 0.005 . 1 . . . . 46 . . . 6131 1 290 . 1 1 47 47 GLN HB3 H 1 0.783 0.003 . 1 . . . . 46 . . . 6131 1 291 . 1 1 47 47 GLN HG2 H 1 1.941 0.006 . 1 . . . . 46 . . . 6131 1 292 . 1 1 47 47 GLN HG3 H 1 1.696 0.004 . 1 . . . . 46 . . . 6131 1 293 . 1 1 48 48 ALA H H 1 6.771 0.003 . 1 . . . . 47 . . . 6131 1 294 . 1 1 48 48 ALA HA H 1 3.672 0.007 . 1 . . . . 47 . . . 6131 1 295 . 1 1 48 48 ALA HB1 H 1 1.408 0.009 . 1 . . . . 47 . . . 6131 1 296 . 1 1 48 48 ALA HB2 H 1 1.408 0.009 . 1 . . . . 47 . . . 6131 1 297 . 1 1 48 48 ALA HB3 H 1 1.408 0.009 . 1 . . . . 47 . . . 6131 1 298 . 1 1 49 49 GLY H H 1 9.305 0.006 . 1 . . . . 48 . . . 6131 1 299 . 1 1 49 49 GLY HA2 H 1 3.476 0.008 . 1 . . . . 48 . . . 6131 1 300 . 1 1 49 49 GLY HA3 H 1 3.944 0.009 . 1 . . . . 48 . . . 6131 1 301 . 1 1 50 50 GLY H H 1 7.366 0.004 . 1 . . . . 49 . . . 6131 1 302 . 1 1 50 50 GLY HA2 H 1 3.476 0.007 . 1 . . . . 49 . . . 6131 1 303 . 1 1 50 50 GLY HA3 H 1 4.160 0.009 . 1 . . . . 49 . . . 6131 1 304 . 1 1 51 51 ASP H H 1 8.212 0.003 . 1 . . . . 50 . . . 6131 1 305 . 1 1 51 51 ASP HA H 1 4.350 0.007 . 1 . . . . 50 . . . 6131 1 306 . 1 1 51 51 ASP HB2 H 1 2.155 0.000 . 1 . . . . 50 . . . 6131 1 307 . 1 1 51 51 ASP HB3 H 1 2.683 0.004 . 1 . . . . 50 . . . 6131 1 308 . 1 1 52 52 ALA H H 1 8.145 0.007 . 1 . . . . 51 . . . 6131 1 309 . 1 1 52 52 ALA HA H 1 4.378 0.007 . 1 . . . . 51 . . . 6131 1 310 . 1 1 52 52 ALA HB1 H 1 0.048 0.003 . 1 . . . . 51 . . . 6131 1 311 . 1 1 52 52 ALA HB2 H 1 0.048 0.003 . 1 . . . . 51 . . . 6131 1 312 . 1 1 52 52 ALA HB3 H 1 0.048 0.003 . 1 . . . . 51 . . . 6131 1 313 . 1 1 53 53 THR H H 1 8.028 0.003 . 1 . . . . 52 . . . 6131 1 314 . 1 1 53 53 THR HA H 1 2.893 0.006 . 1 . . . . 52 . . . 6131 1 315 . 1 1 53 53 THR HB H 1 3.785 0.005 . 1 . . . . 52 . . . 6131 1 316 . 1 1 53 53 THR HG21 H 1 0.387 0.002 . 1 . . . . 52 . . . 6131 1 317 . 1 1 53 53 THR HG22 H 1 0.387 0.002 . 1 . . . . 52 . . . 6131 1 318 . 1 1 53 53 THR HG23 H 1 0.387 0.002 . 1 . . . . 52 . . . 6131 1 319 . 1 1 54 54 GLU H H 1 8.460 0.003 . 1 . . . . 53 . . . 6131 1 320 . 1 1 54 54 GLU HA H 1 3.936 0.005 . 1 . . . . 53 . . . 6131 1 321 . 1 1 54 54 GLU HB2 H 1 1.870 0.004 . 1 . . . . 53 . . . 6131 1 322 . 1 1 54 54 GLU HB3 H 1 2.232 0.004 . 1 . . . . 53 . . . 6131 1 323 . 1 1 54 54 GLU HG2 H 1 2.160 0.002 . 1 . . . . 53 . . . 6131 1 324 . 1 1 55 55 ASN H H 1 7.678 0.003 . 1 . . . . 54 . . . 6131 1 325 . 1 1 55 55 ASN HA H 1 4.264 0.003 . 1 . . . . 54 . . . 6131 1 326 . 1 1 55 55 ASN HB2 H 1 2.162 0.006 . 1 . . . . 54 . . . 6131 1 327 . 1 1 55 55 ASN HB3 H 1 1.711 0.006 . 1 . . . . 54 . . . 6131 1 328 . 1 1 56 56 PHE H H 1 7.977 0.005 . 1 . . . . 55 . . . 6131 1 329 . 1 1 56 56 PHE HB2 H 1 7.979 0.000 . 1 . . . . 55 . . . 6131 1 330 . 1 1 56 56 PHE HD1 H 1 7.038 0.003 . 1 . . . . 55 . . . 6131 1 331 . 1 1 56 56 PHE HE1 H 1 6.793 0.004 . 1 . . . . 55 . . . 6131 1 332 . 1 1 56 56 PHE HZ H 1 7.274 0.000 . 1 . . . . 55 . . . 6131 1 333 . 1 1 57 57 GLU H H 1 8.730 0.007 . 1 . . . . 56 . . . 6131 1 334 . 1 1 57 57 GLU HA H 1 5.628 0.005 . 1 . . . . 56 . . . 6131 1 335 . 1 1 57 57 GLU HB2 H 1 2.653 0.003 . 1 . . . . 56 . . . 6131 1 336 . 1 1 58 58 ASP H H 1 8.935 0.007 . 1 . . . . 57 . . . 6131 1 337 . 1 1 58 58 ASP HA H 1 4.810 0.005 . 1 . . . . 57 . . . 6131 1 338 . 1 1 58 58 ASP HB2 H 1 2.837 0.009 . 1 . . . . 57 . . . 6131 1 339 . 1 1 58 58 ASP HB3 H 1 2.952 0.009 . 1 . . . . 57 . . . 6131 1 340 . 1 1 59 59 VAL H H 1 8.024 0.006 . 1 . . . . 58 . . . 6131 1 341 . 1 1 59 59 VAL HA H 1 4.329 0.002 . 1 . . . . 58 . . . 6131 1 342 . 1 1 60 60 GLY H H 1 9.128 0.004 . 1 . . . . 59 . . . 6131 1 343 . 1 1 60 60 GLY HA2 H 1 5.277 0.003 . 1 . . . . 59 . . . 6131 1 344 . 1 1 60 60 GLY HA3 H 1 4.977 0.002 . 1 . . . . 59 . . . 6131 1 345 . 1 1 61 61 HIS H H 1 11.652 0.003 . 1 . . . . 60 . . . 6131 1 346 . 1 1 61 61 HIS HA H 1 7.437 0.000 . 1 . . . . 60 . . . 6131 1 347 . 1 1 61 61 HIS HB3 H 1 9.746 0.000 . 1 . . . . 60 . . . 6131 1 348 . 1 1 62 62 SER H H 1 11.931 0.003 . 1 . . . . 61 . . . 6131 1 349 . 1 1 62 62 SER HA H 1 5.023 0.000 . 1 . . . . 61 . . . 6131 1 350 . 1 1 62 62 SER HB2 H 1 4.585 0.005 . 1 . . . . 61 . . . 6131 1 351 . 1 1 62 62 SER HB3 H 1 4.260 0.006 . 1 . . . . 61 . . . 6131 1 352 . 1 1 63 63 THR H H 1 9.290 0.002 . 1 . . . . 62 . . . 6131 1 353 . 1 1 63 63 THR HA H 1 4.494 0.002 . 1 . . . . 62 . . . 6131 1 354 . 1 1 63 63 THR HB H 1 1.559 0.005 . 1 . . . . 62 . . . 6131 1 355 . 1 1 64 64 ASP H H 1 8.224 0.005 . 1 . . . . 63 . . . 6131 1 356 . 1 1 64 64 ASP HA H 1 4.436 0.008 . 1 . . . . 63 . . . 6131 1 357 . 1 1 64 64 ASP HB2 H 1 2.567 0.011 . 1 . . . . 63 . . . 6131 1 358 . 1 1 64 64 ASP HB3 H 1 2.490 0.002 . 1 . . . . 63 . . . 6131 1 359 . 1 1 65 65 ALA H H 1 8.932 0.004 . 1 . . . . 64 . . . 6131 1 360 . 1 1 65 65 ALA HA H 1 3.995 0.004 . 1 . . . . 64 . . . 6131 1 361 . 1 1 65 65 ALA HB1 H 1 2.458 0.004 . 1 . . . . 64 . . . 6131 1 362 . 1 1 65 65 ALA HB2 H 1 2.458 0.004 . 1 . . . . 64 . . . 6131 1 363 . 1 1 65 65 ALA HB3 H 1 2.458 0.004 . 1 . . . . 64 . . . 6131 1 364 . 1 1 66 66 ARG H H 1 9.297 0.004 . 1 . . . . 65 . . . 6131 1 365 . 1 1 66 66 ARG HA H 1 4.375 0.006 . 1 . . . . 65 . . . 6131 1 366 . 1 1 66 66 ARG HB2 H 1 2.584 0.009 . 1 . . . . 65 . . . 6131 1 367 . 1 1 66 66 ARG HB3 H 1 2.667 0.009 . 1 . . . . 65 . . . 6131 1 368 . 1 1 66 66 ARG HD2 H 1 3.249 0.011 . 1 . . . . 65 . . . 6131 1 369 . 1 1 66 66 ARG HG2 H 1 3.927 0.002 . 1 . . . . 65 . . . 6131 1 370 . 1 1 66 66 ARG HG3 H 1 2.927 0.023 . 1 . . . . 65 . . . 6131 1 371 . 1 1 66 66 ARG HD3 H 1 4.184 0.005 . 1 . . . . 65 . . . 6131 1 372 . 1 1 67 67 GLU H H 1 9.026 0.005 . 1 . . . . 66 . . . 6131 1 373 . 1 1 67 67 GLU HA H 1 4.185 0.007 . 1 . . . . 66 . . . 6131 1 374 . 1 1 67 67 GLU HB2 H 1 2.225 0.005 . 1 . . . . 66 . . . 6131 1 375 . 1 1 67 67 GLU HB3 H 1 2.114 0.006 . 1 . . . . 66 . . . 6131 1 376 . 1 1 67 67 GLU HG2 H 1 2.525 0.007 . 1 . . . . 66 . . . 6131 1 377 . 1 1 67 67 GLU HG3 H 1 2.384 0.009 . 1 . . . . 66 . . . 6131 1 378 . 1 1 68 68 LEU H H 1 8.330 0.007 . 1 . . . . 67 . . . 6131 1 379 . 1 1 68 68 LEU HA H 1 4.167 0.009 . 1 . . . . 67 . . . 6131 1 380 . 1 1 68 68 LEU HB2 H 1 1.710 0.005 . 1 . . . . 67 . . . 6131 1 381 . 1 1 68 68 LEU HB3 H 1 2.059 0.006 . 1 . . . . 67 . . . 6131 1 382 . 1 1 68 68 LEU HG H 1 1.352 0.003 . 1 . . . . 67 . . . 6131 1 383 . 1 1 68 68 LEU HD11 H 1 0.928 0.004 . 1 . . . . 67 . . . 6131 1 384 . 1 1 68 68 LEU HD12 H 1 0.928 0.004 . 1 . . . . 67 . . . 6131 1 385 . 1 1 68 68 LEU HD13 H 1 0.928 0.004 . 1 . . . . 67 . . . 6131 1 386 . 1 1 68 68 LEU HD21 H 1 1.005 0.006 . 1 . . . . 67 . . . 6131 1 387 . 1 1 68 68 LEU HD22 H 1 1.005 0.006 . 1 . . . . 67 . . . 6131 1 388 . 1 1 68 68 LEU HD23 H 1 1.005 0.006 . 1 . . . . 67 . . . 6131 1 389 . 1 1 69 69 SER H H 1 8.445 0.005 . 1 . . . . 68 . . . 6131 1 390 . 1 1 69 69 SER HA H 1 3.868 0.008 . 1 . . . . 68 . . . 6131 1 391 . 1 1 69 69 SER HB2 H 1 3.516 0.005 . 1 . . . . 68 . . . 6131 1 392 . 1 1 70 70 LYS H H 1 7.092 0.006 . 1 . . . . 69 . . . 6131 1 393 . 1 1 70 70 LYS HA H 1 4.046 0.008 . 1 . . . . 69 . . . 6131 1 394 . 1 1 70 70 LYS HB2 H 1 1.859 0.005 . 2 . . . . 69 . . . 6131 1 395 . 1 1 70 70 LYS HG2 H 1 1.551 0.009 . 1 . . . . 69 . . . 6131 1 396 . 1 1 70 70 LYS HG3 H 1 1.702 0.002 . 1 . . . . 69 . . . 6131 1 397 . 1 1 71 71 THR H H 1 7.508 0.003 . 1 . . . . 70 . . . 6131 1 398 . 1 1 71 71 THR HA H 1 3.934 0.009 . 1 . . . . 70 . . . 6131 1 399 . 1 1 71 71 THR HB H 1 3.681 0.007 . 1 . . . . 70 . . . 6131 1 400 . 1 1 71 71 THR HG21 H 1 1.008 0.001 . 1 . . . . 70 . . . 6131 1 401 . 1 1 71 71 THR HG22 H 1 1.008 0.001 . 1 . . . . 70 . . . 6131 1 402 . 1 1 71 71 THR HG23 H 1 1.008 0.001 . 1 . . . . 70 . . . 6131 1 403 . 1 1 72 72 PHE H H 1 7.199 0.006 . 1 . . . . 71 . . . 6131 1 404 . 1 1 72 72 PHE HA H 1 4.725 0.005 . 1 . . . . 71 . . . 6131 1 405 . 1 1 72 72 PHE HB2 H 1 3.607 0.007 . 1 . . . . 71 . . . 6131 1 406 . 1 1 72 72 PHE HD1 H 1 6.816 0.006 . 1 . . . . 71 . . . 6131 1 407 . 1 1 72 72 PHE HE1 H 1 6.563 0.005 . 1 . . . . 71 . . . 6131 1 408 . 1 1 72 72 PHE HZ H 1 6.958 0.004 . 1 . . . . 71 . . . 6131 1 409 . 1 1 73 73 ILE H H 1 6.717 0.005 . 1 . . . . 72 . . . 6131 1 410 . 1 1 73 73 ILE HA H 1 3.362 0.006 . 1 . . . . 72 . . . 6131 1 411 . 1 1 73 73 ILE HB H 1 1.346 0.005 . 1 . . . . 72 . . . 6131 1 412 . 1 1 73 73 ILE HG21 H 1 0.651 0.008 . 1 . . . . 72 . . . 6131 1 413 . 1 1 73 73 ILE HG22 H 1 0.651 0.008 . 1 . . . . 72 . . . 6131 1 414 . 1 1 73 73 ILE HG23 H 1 0.651 0.008 . 1 . . . . 72 . . . 6131 1 415 . 1 1 73 73 ILE HG12 H 1 1.216 0.005 . 1 . . . . 72 . . . 6131 1 416 . 1 1 73 73 ILE HG13 H 1 0.743 0.008 . 1 . . . . 72 . . . 6131 1 417 . 1 1 73 73 ILE HD11 H 1 -0.033 0.003 . 1 . . . . 72 . . . 6131 1 418 . 1 1 73 73 ILE HD12 H 1 -0.033 0.003 . 1 . . . . 72 . . . 6131 1 419 . 1 1 73 73 ILE HD13 H 1 -0.033 0.003 . 1 . . . . 72 . . . 6131 1 420 . 1 1 74 74 ILE H H 1 8.582 0.004 . 1 . . . . 73 . . . 6131 1 421 . 1 1 74 74 ILE HA H 1 4.473 0.007 . 1 . . . . 73 . . . 6131 1 422 . 1 1 74 74 ILE HB H 1 1.697 0.009 . 1 . . . . 73 . . . 6131 1 423 . 1 1 74 74 ILE HG21 H 1 0.630 0.013 . 1 . . . . 73 . . . 6131 1 424 . 1 1 74 74 ILE HG22 H 1 0.630 0.013 . 1 . . . . 73 . . . 6131 1 425 . 1 1 74 74 ILE HG23 H 1 0.630 0.013 . 1 . . . . 73 . . . 6131 1 426 . 1 1 74 74 ILE HG12 H 1 -0.181 0.005 . 1 . . . . 73 . . . 6131 1 427 . 1 1 74 74 ILE HG13 H 1 0.077 0.005 . 1 . . . . 73 . . . 6131 1 428 . 1 1 74 74 ILE HD11 H 1 -1.259 0.003 . 1 . . . . 73 . . . 6131 1 429 . 1 1 74 74 ILE HD12 H 1 -1.259 0.003 . 1 . . . . 73 . . . 6131 1 430 . 1 1 74 74 ILE HD13 H 1 -1.259 0.003 . 1 . . . . 73 . . . 6131 1 431 . 1 1 75 75 GLY H H 1 7.259 0.004 . 1 . . . . 74 . . . 6131 1 432 . 1 1 75 75 GLY HA2 H 1 4.331 0.006 . 1 . . . . 74 . . . 6131 1 433 . 1 1 75 75 GLY HA3 H 1 3.991 0.007 . 1 . . . . 74 . . . 6131 1 434 . 1 1 76 76 GLU H H 1 8.961 0.009 . 1 . . . . 75 . . . 6131 1 435 . 1 1 76 76 GLU HA H 1 5.139 0.007 . 1 . . . . 75 . . . 6131 1 436 . 1 1 76 76 GLU HB2 H 1 2.064 0.007 . 1 . . . . 75 . . . 6131 1 437 . 1 1 76 76 GLU HB3 H 1 1.603 0.009 . 1 . . . . 75 . . . 6131 1 438 . 1 1 76 76 GLU HG2 H 1 2.213 0.005 . 1 . . . . 75 . . . 6131 1 439 . 1 1 77 77 LEU HA H 1 4.540 0.007 . 1 . . . . 76 . . . 6131 1 440 . 1 1 77 77 LEU H H 1 8.858 0.004 . 1 . . . . 76 . . . 6131 1 441 . 1 1 77 77 LEU HB2 H 1 1.700 0.007 . 2 . . . . 76 . . . 6131 1 442 . 1 1 77 77 LEU HG H 1 1.803 0.003 . 1 . . . . 76 . . . 6131 1 443 . 1 1 77 77 LEU HD11 H 1 1.007 0.002 . 1 . . . . 76 . . . 6131 1 444 . 1 1 77 77 LEU HD12 H 1 1.007 0.002 . 1 . . . . 76 . . . 6131 1 445 . 1 1 77 77 LEU HD13 H 1 1.007 0.002 . 1 . . . . 76 . . . 6131 1 446 . 1 1 77 77 LEU HD21 H 1 0.928 0.003 . 1 . . . . 76 . . . 6131 1 447 . 1 1 77 77 LEU HD22 H 1 0.928 0.003 . 1 . . . . 76 . . . 6131 1 448 . 1 1 77 77 LEU HD23 H 1 0.928 0.003 . 1 . . . . 76 . . . 6131 1 449 . 1 1 78 78 HIS H H 1 9.017 0.005 . 1 . . . . 77 . . . 6131 1 450 . 1 1 78 78 HIS HA H 1 3.674 0.005 . 1 . . . . 77 . . . 6131 1 451 . 1 1 78 78 HIS HB2 H 1 2.534 0.010 . 1 . . . . 77 . . . 6131 1 452 . 1 1 78 78 HIS HB3 H 1 2.826 0.004 . 1 . . . . 77 . . . 6131 1 453 . 1 1 78 78 HIS HD2 H 1 6.902 0.003 . 1 . . . . 77 . . . 6131 1 454 . 1 1 78 78 HIS HE1 H 1 7.474 0.002 . 1 . . . . 77 . . . 6131 1 455 . 1 1 79 79 PRO HA H 1 3.552 0.003 . 1 . . . . 78 . . . 6131 1 456 . 1 1 79 79 PRO HB2 H 1 2.050 0.003 . 1 . . . . 78 . . . 6131 1 457 . 1 1 79 79 PRO HB3 H 1 1.626 0.003 . 1 . . . . 78 . . . 6131 1 458 . 1 1 79 79 PRO HG2 H 1 1.392 0.005 . 1 . . . . 78 . . . 6131 1 459 . 1 1 80 80 ASP H H 1 11.126 0.002 . 1 . . . . 79 . . . 6131 1 460 . 1 1 80 80 ASP HA H 1 4.374 0.007 . 1 . . . . 79 . . . 6131 1 461 . 1 1 80 80 ASP HB2 H 1 2.556 0.006 . 1 . . . . 79 . . . 6131 1 462 . 1 1 80 80 ASP HB3 H 1 2.656 0.008 . 1 . . . . 79 . . . 6131 1 stop_ save_