################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 18037 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $condition1 _RDC_list.Spectrometer_frequency_1H 599.667 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'polyethyleneglycol/alcohol mixture' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DCAHA . 1 1 3 3 LYS HA H 1 . . 1 1 3 3 LYS CA C 13 . 21.74 . . 0.99 . . . . 3 LYS HA . 3 LYS CA 18037 1 2 DCAHA . 1 1 4 4 LEU HA H 1 . . 1 1 4 4 LEU CA C 13 . -10.46 . . 2.87 . . . . 4 LEU HA . 4 LEU CA 18037 1 3 DCAHA . 1 1 5 5 LEU HA H 1 . . 1 1 5 5 LEU CA C 13 . 14.77 . . 4.28 . . . . 5 LEU HA . 5 LEU CA 18037 1 4 DCAHA . 1 1 6 6 THR HA H 1 . . 1 1 6 6 THR CA C 13 . 11.24 . . 3.44 . . . . 6 THR HA . 6 THR CA 18037 1 5 DCAHA . 1 1 7 7 TYR HA H 1 . . 1 1 7 7 TYR CA C 13 . -12.30 . . 4.71 . . . . 7 TYR HA . 7 TYR CA 18037 1 6 DCAHA . 1 1 8 8 GLN HA H 1 . . 1 1 8 8 GLN CA C 13 . -40.52 . . 3.61 . . . . 8 GLN HA . 8 GLN CA 18037 1 7 DCAHA . 1 1 10 10 LYS HA H 1 . . 1 1 10 10 LYS CA C 13 . -5.30 . . 4.37 . . . . 10 LYS HA . 10 LYS CA 18037 1 8 DCAHA . 1 1 11 11 GLN HA H 1 . . 1 1 11 11 GLN CA C 13 . 24.60 . . 1.25 . . . . 11 GLN HA . 11 GLN CA 18037 1 9 DCAHA . 1 1 12 12 GLY HA2 H 1 . . 1 1 12 12 GLY CA C 13 . -70.45 . . 5.69 . . . . 12 GLY HA . 12 GLY CA 18037 1 10 DCAHA . 1 1 12 12 GLY HA3 H 1 . . 1 1 12 12 GLY CA C 13 . -70.45 . . 5.69 . . . . 12 GLY HA . 12 GLY CA 18037 1 11 DCAHA . 1 1 14 14 THR HA H 1 . . 1 1 14 14 THR CA C 13 . -24.06 . . 5.08 . . . . 14 THR HA . 14 THR CA 18037 1 12 DCAHA . 1 1 15 15 LEU HA H 1 . . 1 1 15 15 LEU CA C 13 . -39.53 . . 2.39 . . . . 15 LEU HA . 15 LEU CA 18037 1 13 DCAHA . 1 1 16 16 ASN HA H 1 . . 1 1 16 16 ASN CA C 13 . 39.20 . . 1.78 . . . . 16 ASN HA . 16 ASN CA 18037 1 14 DCAHA . 1 1 17 17 SER HA H 1 . . 1 1 17 17 SER CA C 13 . 3.21 . . 2.91 . . . . 17 SER HA . 17 SER CA 18037 1 15 DCAHA . 1 1 18 18 ILE HA H 1 . . 1 1 18 18 ILE CA C 13 . -13.78 . . 4.61 . . . . 18 ILE HA . 18 ILE CA 18037 1 16 DCAHA . 1 1 19 19 ALA HA H 1 . . 1 1 19 19 ALA CA C 13 . -33.06 . . 2.12 . . . . 19 ALA HA . 19 ALA CA 18037 1 17 DCAHA . 1 1 20 20 ALA HA H 1 . . 1 1 20 20 ALA CA C 13 . 30.61 . . 3.10 . . . . 20 ALA HA . 20 ALA CA 18037 1 18 DCAHA . 1 1 21 21 ASP HA H 1 . . 1 1 21 21 ASP CA C 13 . 42.52 . . 4.47 . . . . 21 ASP HA . 21 ASP CA 18037 1 19 DCAHA . 1 1 22 22 PHE HA H 1 . . 1 1 22 22 PHE CA C 13 . -47.38 . . 6.55 . . . . 22 PHE HA . 22 PHE CA 18037 1 20 DCAHA . 1 1 24 24 ILE HA H 1 . . 1 1 24 24 ILE CA C 13 . 44.59 . . 6.58 . . . . 24 ILE HA . 24 ILE CA 18037 1 21 DCAHA . 1 1 26 26 THR HA H 1 . . 1 1 26 26 THR CA C 13 . 2.43 . . 3.23 . . . . 26 THR HA . 26 THR CA 18037 1 22 DCAHA . 1 1 28 28 ALA HA H 1 . . 1 1 28 28 ALA CA C 13 . -14.19 . . 2.87 . . . . 28 ALA HA . 28 ALA CA 18037 1 23 DCAHA . 1 1 29 29 LEU HA H 1 . . 1 1 29 29 LEU CA C 13 . -32.77 . . 1.79 . . . . 29 LEU HA . 29 LEU CA 18037 1 24 DCAHA . 1 1 30 30 LEU HA H 1 . . 1 1 30 30 LEU CA C 13 . 42.50 . . 2.23 . . . . 30 LEU HA . 30 LEU CA 18037 1 25 DCAHA . 1 1 31 31 GLN HA H 1 . . 1 1 31 31 GLN CA C 13 . 26.09 . . 1.81 . . . . 31 GLN HA . 31 GLN CA 18037 1 26 DCAHA . 1 1 32 32 ALA HA H 1 . . 1 1 32 32 ALA CA C 13 . -39.88 . . 5.43 . . . . 32 ALA HA . 32 ALA CA 18037 1 27 DCAHA . 1 1 33 33 ASN HA H 1 . . 1 1 33 33 ASN CA C 13 . 2.80 . . 1.64 . . . . 33 ASN HA . 33 ASN CA 18037 1 28 DCAHA . 1 1 35 35 SER HA H 1 . . 1 1 35 35 SER CA C 13 . 27.39 . . 1.26 . . . . 35 SER HA . 35 SER CA 18037 1 29 DCAHA . 1 1 36 36 LEU HA H 1 . . 1 1 36 36 LEU CA C 13 . -43.86 . . 1.84 . . . . 36 LEU HA . 36 LEU CA 18037 1 30 DCAHA . 1 1 37 37 GLN HA H 1 . . 1 1 37 37 GLN CA C 13 . 22.30 . . 1.16 . . . . 37 GLN HA . 37 GLN CA 18037 1 31 DCAHA . 1 1 38 38 ALA HA H 1 . . 1 1 38 38 ALA CA C 13 . 0.37 . . 0.74 . . . . 38 ALA HA . 38 ALA CA 18037 1 32 DCAHA . 1 1 39 39 GLY HA2 H 1 . . 1 1 39 39 GLY CA C 13 . 18.02 . . 1.23 . . . . 39 GLY HA . 39 GLY CA 18037 1 33 DCAHA . 1 1 39 39 GLY HA3 H 1 . . 1 1 39 39 GLY CA C 13 . 18.02 . . 1.23 . . . . 39 GLY HA . 39 GLY CA 18037 1 34 DCAHA . 1 1 41 41 THR HA H 1 . . 1 1 41 41 THR CA C 13 . 30.07 . . 1.35 . . . . 41 THR HA . 41 THR CA 18037 1 35 DCAHA . 1 1 42 42 ALA HA H 1 . . 1 1 42 42 ALA CA C 13 . 31.32 . . 2.91 . . . . 42 ALA HA . 42 ALA CA 18037 1 36 DCAHA . 1 1 43 43 GLY HA2 H 1 . . 1 1 43 43 GLY CA C 13 . 13.80 . . 2.56 . . . . 43 GLY HA . 43 GLY CA 18037 1 37 DCAHA . 1 1 43 43 GLY HA3 H 1 . . 1 1 43 43 GLY CA C 13 . 13.80 . . 2.56 . . . . 43 GLY HA . 43 GLY CA 18037 1 38 DCAHA . 1 1 45 45 SER HA H 1 . . 1 1 45 45 SER CA C 13 . 5.74 . . 2.49 . . . . 45 SER HA . 45 SER CA 18037 1 39 DCAHA . 1 1 46 46 ILE HA H 1 . . 1 1 46 46 ILE CA C 13 . -58.97 . . 4.58 . . . . 46 ILE HA . 46 ILE CA 18037 1 40 DCAHA . 1 1 47 47 VAL HA H 1 . . 1 1 47 47 VAL CA C 13 . -52.55 . . 4.13 . . . . 47 VAL HA . 47 VAL CA 18037 1 41 DCAHA . 1 1 48 48 ILE HA H 1 . . 1 1 48 48 ILE CA C 13 . -16.23 . . 2.90 . . . . 48 ILE HA . 48 ILE CA 18037 1 42 DCAHA . 1 1 50 50 GLY HA2 H 1 . . 1 1 50 50 GLY CA C 13 . 23.46 . . 2.78 . . . . 50 GLY HA . 50 GLY CA 18037 1 43 DCAHA . 1 1 50 50 GLY HA3 H 1 . . 1 1 50 50 GLY CA C 13 . 23.46 . . 2.78 . . . . 50 GLY HA . 50 GLY CA 18037 1 44 DCAHA . 1 1 53 53 ASP HA H 1 . . 1 1 53 53 ASP CA C 13 . -50.79 . . 2.69 . . . . 53 ASP HA . 53 ASP CA 18037 1 45 DCAHA . 1 1 55 55 TYR HA H 1 . . 1 1 55 55 TYR CA C 13 . 21.58 . . 6.16 . . . . 55 TYR HA . 55 TYR CA 18037 1 46 DCAHA . 1 1 56 56 THR HA H 1 . . 1 1 56 56 THR CA C 13 . -55.07 . . 5.63 . . . . 56 THR HA . 56 THR CA 18037 1 47 DCAHA . 1 1 57 57 ILE HA H 1 . . 1 1 57 57 ILE CA C 13 . 44.06 . . 3.15 . . . . 57 ILE HA . 57 ILE CA 18037 1 48 DCAHA . 1 1 60 60 HIS HA H 1 . . 1 1 60 60 HIS CA C 13 . 3.69 . . 5.35 . . . . 60 HIS HA . 60 HIS CA 18037 1 49 DCAHA . 1 1 62 62 ALA HA H 1 . . 1 1 62 62 ALA CA C 13 . -23.95 . . 6.66 . . . . 62 ALA HA . 62 ALA CA 18037 1 50 DCAHA . 1 1 63 63 VAL HA H 1 . . 1 1 63 63 VAL CA C 13 . -19.27 . . 4.77 . . . . 63 VAL HA . 63 VAL CA 18037 1 51 DCAHA . 1 1 64 64 SER HA H 1 . . 1 1 64 64 SER CA C 13 . -26.36 . . 14.44 . . . . 64 SER HA . 64 SER CA 18037 1 52 DCAHA . 1 1 68 68 LYS HA H 1 . . 1 1 68 68 LYS CA C 13 . -50.77 . . 6.01 . . . . 68 LYS HA . 68 LYS CA 18037 1 53 DCAHA . 1 1 69 69 THR HA H 1 . . 1 1 69 69 THR CA C 13 . -34.33 . . 5.78 . . . . 69 THR HA . 69 THR CA 18037 1 54 DCAHA . 1 1 70 70 LEU HA H 1 . . 1 1 70 70 LEU CA C 13 . 17.51 . . 6.30 . . . . 70 LEU HA . 70 LEU CA 18037 1 55 DCAHA . 1 1 71 71 THR HA H 1 . . 1 1 71 71 THR CA C 13 . -12.96 . . 5.38 . . . . 71 THR HA . 71 THR CA 18037 1 56 DCAHA . 1 1 72 72 LEU HA H 1 . . 1 1 72 72 LEU CA C 13 . -37.68 . . 5.46 . . . . 72 LEU HA . 72 LEU CA 18037 1 57 DCAHA . 1 1 73 73 SER HA H 1 . . 1 1 73 73 SER CA C 13 . 1.59 . . 8.39 . . . . 73 SER HA . 73 SER CA 18037 1 58 DCAHA . 1 1 74 74 LEU HA H 1 . . 1 1 74 74 LEU CA C 13 . -11.86 . . 4.17 . . . . 74 LEU HA . 74 LEU CA 18037 1 59 DCAHA . 1 1 75 75 ASN HA H 1 . . 1 1 75 75 ASN CA C 13 . -14.35 . . 4.96 . . . . 75 ASN HA . 75 ASN CA 18037 1 60 DCAHA . 1 1 77 77 ARG HA H 1 . . 1 1 77 77 ARG CA C 13 . 38.72 . . 2.79 . . . . 77 ARG HA . 77 ARG CA 18037 1 61 DCAHA . 1 1 78 78 VAL HA H 1 . . 1 1 78 78 VAL CA C 13 . 27.36 . . 2.68 . . . . 78 VAL HA . 78 VAL CA 18037 1 62 DCAHA . 1 1 79 79 MET HA H 1 . . 1 1 79 79 MET CA C 13 . 3.05 . . 4.00 . . . . 79 MET HA . 79 MET CA 18037 1 63 DCAHA . 1 1 80 80 LYS HA H 1 . . 1 1 80 80 LYS CA C 13 . 38.31 . . 2.21 . . . . 80 LYS HA . 80 LYS CA 18037 1 64 DCAHA . 1 1 81 81 THR HA H 1 . . 1 1 81 81 THR CA C 13 . -19.41 . . 5.71 . . . . 81 THR HA . 81 THR CA 18037 1 65 DCAHA . 1 1 82 82 TYR HA H 1 . . 1 1 82 82 TYR CA C 13 . 67.40 . . 25.26 . . . . 82 TYR HA . 82 TYR CA 18037 1 66 DCAHA . 1 1 98 98 PHE HA H 1 . . 1 1 98 98 PHE CA C 13 . -19.41 . . 5.35 . . . . 98 PHE HA . 98 PHE CA 18037 1 67 DCAHA . 1 1 100 100 ILE HA H 1 . . 1 1 100 100 ILE CA C 13 . 10.94 . . 5.10 . . . . 100 ILE HA . 100 ILE CA 18037 1 68 DCAHA . 1 1 103 103 ARG HA H 1 . . 1 1 103 103 ARG CA C 13 . 6.49 . . 7.45 . . . . 103 ARG HA . 103 ARG CA 18037 1 69 DCAHA . 1 1 104 104 GLN HA H 1 . . 1 1 104 104 GLN CA C 13 . 4.25 . . 7.34 . . . . 104 GLN HA . 104 GLN CA 18037 1 70 DCAHA . 1 1 108 108 GLY HA2 H 1 . . 1 1 108 108 GLY CA C 13 . -17.43 . . 6.59 . . . . 108 GLY HA . 108 GLY CA 18037 1 71 DCAHA . 1 1 108 108 GLY HA3 H 1 . . 1 1 108 108 GLY CA C 13 . -17.43 . . 6.59 . . . . 108 GLY HA . 108 GLY CA 18037 1 72 DCAHA . 1 1 112 112 GLY HA2 H 1 . . 1 1 112 112 GLY CA C 13 . 24.96 . . 10.95 . . . . 112 GLY HA . 112 GLY CA 18037 1 73 DCAHA . 1 1 112 112 GLY HA3 H 1 . . 1 1 112 112 GLY CA C 13 . 24.96 . . 10.95 . . . . 112 GLY HA . 112 GLY CA 18037 1 74 DCAHA . 1 1 114 114 TYR HA H 1 . . 1 1 114 114 TYR CA C 13 . 45.18 . . 6.08 . . . . 114 TYR HA . 114 TYR CA 18037 1 75 DCAHA . 1 1 119 119 SER HA H 1 . . 1 1 119 119 SER CA C 13 . 47.63 . . 9.99 . . . . 119 SER HA . 119 SER CA 18037 1 76 DCAHA . 1 1 132 132 ALA HA H 1 . . 1 1 132 132 ALA CA C 13 . -41.40 . . 3.21 . . . . 132 ALA HA . 132 ALA CA 18037 1 77 DCAHA . 1 1 133 133 SER HA H 1 . . 1 1 133 133 SER CA C 13 . 7.69 . . 6.53 . . . . 133 SER HA . 133 SER CA 18037 1 78 DCAHA . 1 1 147 147 ASN HA H 1 . . 1 1 147 147 ASN CA C 13 . 7.54 . . 7.42 . . . . 147 ASN HA . 147 ASN CA 18037 1 79 DCAHA . 1 1 152 152 GLU HA H 1 . . 1 1 152 152 GLU CA C 13 . -46.56 . . 4.42 . . . . 152 GLU HA . 152 GLU CA 18037 1 80 DCAHA . 1 1 153 153 LEU HA H 1 . . 1 1 153 153 LEU CA C 13 . 36.04 . . 4.55 . . . . 153 LEU HA . 153 LEU CA 18037 1 81 DCAHA . 1 1 154 154 ALA HA H 1 . . 1 1 154 154 ALA CA C 13 . 31.22 . . 3.90 . . . . 154 ALA HA . 154 ALA CA 18037 1 82 DCAHA . 1 1 155 155 SER HA H 1 . . 1 1 155 155 SER CA C 13 . 10.05 . . 4.13 . . . . 155 SER HA . 155 SER CA 18037 1 83 DCAHA . 1 1 156 156 ILE HA H 1 . . 1 1 156 156 ILE CA C 13 . -20.43 . . 3.66 . . . . 156 ILE HA . 156 ILE CA 18037 1 84 DCAHA . 1 1 157 157 VAL HA H 1 . . 1 1 157 157 VAL CA C 13 . 22.92 . . 3.44 . . . . 157 VAL HA . 157 VAL CA 18037 1 85 DCAHA . 1 1 159 159 ASN HA H 1 . . 1 1 159 159 ASN CA C 13 . 21.24 . . 4.16 . . . . 159 ASN HA . 159 ASN CA 18037 1 86 DCAHA . 1 1 160 160 GLY HA2 H 1 . . 1 1 160 160 GLY CA C 13 . -25.81 . . 7.24 . . . . 160 GLY HA . 160 GLY CA 18037 1 87 DCAHA . 1 1 160 160 GLY HA3 H 1 . . 1 1 160 160 GLY CA C 13 . -25.81 . . 7.24 . . . . 160 GLY HA . 160 GLY CA 18037 1 88 DCAHA . 1 1 166 166 ASN HA H 1 . . 1 1 166 166 ASN CA C 13 . 3.88 . . 8.77 . . . . 166 ASN HA . 166 ASN CA 18037 1 89 DCAHA . 1 1 167 167 ARG HA H 1 . . 1 1 167 167 ARG CA C 13 . 25.03 . . 8.84 . . . . 167 ARG HA . 167 ARG CA 18037 1 90 DCAHA . 1 1 168 168 GLY HA2 H 1 . . 1 1 168 168 GLY CA C 13 . -2.07 . . 4.10 . . . . 168 GLY HA . 168 GLY CA 18037 1 91 DCAHA . 1 1 168 168 GLY HA3 H 1 . . 1 1 168 168 GLY CA C 13 . -2.07 . . 4.10 . . . . 168 GLY HA . 168 GLY CA 18037 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 18037 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $condition1 _RDC_list.Spectrometer_frequency_1H 599.667 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 2 2 ARG H H 1 . . 1 1 2 2 ARG N N 15 . 9.87 . . 0.44 . . . . 2 ARG H . 2 ARG N 18037 2 2 DNH . 1 1 3 3 LYS H H 1 . . 1 1 3 3 LYS N N 15 . 3.40 . . 0.10 . . . . 3 LYS H . 3 LYS N 18037 2 3 DNH . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU N N 15 . -21.11 . . 0.42 . . . . 4 LEU H . 4 LEU N 18037 2 4 DNH . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . 15.63 . . 0.83 . . . . 5 LEU H . 5 LEU N 18037 2 5 DNH . 1 1 6 6 THR H H 1 . . 1 1 6 6 THR N N 15 . -1.50 . . 0.52 . . . . 6 THR H . 6 THR N 18037 2 6 DNH . 1 1 7 7 TYR H H 1 . . 1 1 7 7 TYR N N 15 . -36.00 . . 2.24 . . . . 7 TYR H . 7 TYR N 18037 2 7 DNH . 1 1 8 8 GLN H H 1 . . 1 1 8 8 GLN N N 15 . -38.65 . . 0.83 . . . . 8 GLN H . 8 GLN N 18037 2 8 DNH . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL N N 15 . -42.13 . . 1.39 . . . . 9 VAL H . 9 VAL N 18037 2 9 DNH . 1 1 10 10 LYS H H 1 . . 1 1 10 10 LYS N N 15 . 14.12 . . 0.71 . . . . 10 LYS H . 10 LYS N 18037 2 10 DNH . 1 1 11 11 GLN H H 1 . . 1 1 11 11 GLN N N 15 . 7.59 . . 0.30 . . . . 11 GLN H . 11 GLN N 18037 2 11 DNH . 1 1 12 12 GLY H H 1 . . 1 1 12 12 GLY N N 15 . -47.44 . . 1.50 . . . . 12 GLY H . 12 GLY N 18037 2 12 DNH . 1 1 13 13 ASP H H 1 . . 1 1 13 13 ASP N N 15 . 18.56 . . 0.37 . . . . 13 ASP H . 13 ASP N 18037 2 13 DNH . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR N N 15 . -18.96 . . 1.10 . . . . 14 THR H . 14 THR N 18037 2 14 DNH . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU N N 15 . -2.45 . . 0.46 . . . . 15 LEU H . 15 LEU N 18037 2 15 DNH . 1 1 16 16 ASN H H 1 . . 1 1 16 16 ASN N N 15 . 16.53 . . 0.64 . . . . 16 ASN H . 16 ASN N 18037 2 16 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . -1.08 . . 1.05 . . . . 17 SER H . 17 SER N 18037 2 17 DNH . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . -16.60 . . 1.27 . . . . 18 ILE H . 18 ILE N 18037 2 18 DNH . 1 1 19 19 ALA H H 1 . . 1 1 19 19 ALA N N 15 . 4.10 . . 0.69 . . . . 19 ALA H . 19 ALA N 18037 2 19 DNH . 1 1 20 20 ALA H H 1 . . 1 1 20 20 ALA N N 15 . 10.01 . . 0.63 . . . . 20 ALA H . 20 ALA N 18037 2 20 DNH . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP N N 15 . -13.51 . . 1.24 . . . . 21 ASP H . 21 ASP N 18037 2 21 DNH . 1 1 22 22 PHE H H 1 . . 1 1 22 22 PHE N N 15 . -13.27 . . 2.05 . . . . 22 PHE H . 22 PHE N 18037 2 22 DNH . 1 1 24 24 ILE H H 1 . . 1 1 24 24 ILE N N 15 . 22.70 . . 0.71 . . . . 24 ILE H . 24 ILE N 18037 2 23 DNH . 1 1 25 25 SER H H 1 . . 1 1 25 25 SER N N 15 . 18.39 . . 0.66 . . . . 25 SER H . 25 SER N 18037 2 24 DNH . 1 1 26 26 THR H H 1 . . 1 1 26 26 THR N N 15 . 16.04 . . 0.50 . . . . 26 THR H . 26 THR N 18037 2 25 DNH . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA N N 15 . 2.54 . . 0.65 . . . . 27 ALA H . 27 ALA N 18037 2 26 DNH . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA N N 15 . -14.66 . . 0.60 . . . . 28 ALA H . 28 ALA N 18037 2 27 DNH . 1 1 29 29 LEU H H 1 . . 1 1 29 29 LEU N N 15 . 8.64 . . 0.51 . . . . 29 LEU H . 29 LEU N 18037 2 28 DNH . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU N N 15 . 8.96 . . 0.45 . . . . 30 LEU H . 30 LEU N 18037 2 29 DNH . 1 1 31 31 GLN H H 1 . . 1 1 31 31 GLN N N 15 . -14.84 . . 0.38 . . . . 31 GLN H . 31 GLN N 18037 2 30 DNH . 1 1 32 32 ALA H H 1 . . 1 1 32 32 ALA N N 15 . -14.68 . . 0.71 . . . . 32 ALA H . 32 ALA N 18037 2 31 DNH . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . 23.38 . . 0.53 . . . . 33 ASN H . 33 ASN N 18037 2 32 DNH . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 14.70 . . 0.37 . . . . 35 SER H . 35 SER N 18037 2 33 DNH . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU N N 15 . 23.19 . . 0.38 . . . . 36 LEU H . 36 LEU N 18037 2 34 DNH . 1 1 37 37 GLN H H 1 . . 1 1 37 37 GLN N N 15 . 14.40 . . 0.28 . . . . 37 GLN H . 37 GLN N 18037 2 35 DNH . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA N N 15 . 23.70 . . 0.22 . . . . 38 ALA H . 38 ALA N 18037 2 36 DNH . 1 1 39 39 GLY H H 1 . . 1 1 39 39 GLY N N 15 . 19.61 . . 0.16 . . . . 39 GLY H . 39 GLY N 18037 2 37 DNH . 1 1 40 40 LEU H H 1 . . 1 1 40 40 LEU N N 15 . 20.81 . . 0.26 . . . . 40 LEU H . 40 LEU N 18037 2 38 DNH . 1 1 41 41 THR H H 1 . . 1 1 41 41 THR N N 15 . 25.18 . . 0.27 . . . . 41 THR H . 41 THR N 18037 2 39 DNH . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA N N 15 . 28.53 . . 0.42 . . . . 42 ALA H . 42 ALA N 18037 2 40 DNH . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY N N 15 . -14.85 . . 0.58 . . . . 43 GLY H . 43 GLY N 18037 2 41 DNH . 1 1 44 44 GLN H H 1 . . 1 1 44 44 GLN N N 15 . 27.66 . . 0.39 . . . . 44 GLN H . 44 GLN N 18037 2 42 DNH . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER N N 15 . -32.14 . . 0.38 . . . . 45 SER H . 45 SER N 18037 2 43 DNH . 1 1 48 48 ILE H H 1 . . 1 1 48 48 ILE N N 15 . 18.92 . . 0.59 . . . . 48 ILE H . 48 ILE N 18037 2 44 DNH . 1 1 50 50 GLY H H 1 . . 1 1 50 50 GLY N N 15 . -23.41 . . 0.71 . . . . 50 GLY H . 50 GLY N 18037 2 45 DNH . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU N N 15 . -11.73 . . 0.53 . . . . 51 LEU H . 51 LEU N 18037 2 46 DNH . 1 1 53 53 ASP H H 1 . . 1 1 53 53 ASP N N 15 . -9.42 . . 0.55 . . . . 53 ASP H . 53 ASP N 18037 2 47 DNH . 1 1 55 55 TYR H H 1 . . 1 1 55 55 TYR N N 15 . -27.79 . . 1.44 . . . . 55 TYR H . 55 TYR N 18037 2 48 DNH . 1 1 56 56 THR H H 1 . . 1 1 56 56 THR N N 15 . 23.76 . . 1.91 . . . . 56 THR H . 56 THR N 18037 2 49 DNH . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . 23.39 . . 1.01 . . . . 57 ILE H . 57 ILE N 18037 2 50 DNH . 1 1 60 60 HIS H H 1 . . 1 1 60 60 HIS N N 15 . -26.40 . . 2.19 . . . . 60 HIS H . 60 HIS N 18037 2 51 DNH . 1 1 61 61 ILE H H 1 . . 1 1 61 61 ILE N N 15 . -28.14 . . 2.07 . . . . 61 ILE H . 61 ILE N 18037 2 52 DNH . 1 1 62 62 ALA H H 1 . . 1 1 62 62 ALA N N 15 . -1.32 . . 1.74 . . . . 62 ALA H . 62 ALA N 18037 2 53 DNH . 1 1 63 63 VAL H H 1 . . 1 1 63 63 VAL N N 15 . -28.92 . . 1.82 . . . . 63 VAL H . 63 VAL N 18037 2 54 DNH . 1 1 65 65 ILE H H 1 . . 1 1 65 65 ILE N N 15 . -23.83 . . 1.94 . . . . 65 ILE H . 65 ILE N 18037 2 55 DNH . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . -28.47 . . 1.54 . . . . 66 GLY H . 66 GLY N 18037 2 56 DNH . 1 1 67 67 ALA H H 1 . . 1 1 67 67 ALA N N 15 . -37.47 . . 0.74 . . . . 67 ALA H . 67 ALA N 18037 2 57 DNH . 1 1 68 68 LYS H H 1 . . 1 1 68 68 LYS N N 15 . -12.77 . . 1.35 . . . . 68 LYS H . 68 LYS N 18037 2 58 DNH . 1 1 69 69 THR H H 1 . . 1 1 69 69 THR N N 15 . -0.11 . . 0.72 . . . . 69 THR H . 69 THR N 18037 2 59 DNH . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU N N 15 . -7.88 . . 1.37 . . . . 70 LEU H . 70 LEU N 18037 2 60 DNH . 1 1 71 71 THR H H 1 . . 1 1 71 71 THR N N 15 . -3.80 . . 1.31 . . . . 71 THR H . 71 THR N 18037 2 61 DNH . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU N N 15 . -31.17 . . 2.19 . . . . 72 LEU H . 72 LEU N 18037 2 62 DNH . 1 1 73 73 SER H H 1 . . 1 1 73 73 SER N N 15 . -2.37 . . 1.71 . . . . 73 SER H . 73 SER N 18037 2 63 DNH . 1 1 74 74 LEU H H 1 . . 1 1 74 74 LEU N N 15 . -17.47 . . 0.57 . . . . 74 LEU H . 74 LEU N 18037 2 64 DNH . 1 1 75 75 ASN H H 1 . . 1 1 75 75 ASN N N 15 . 1.61 . . 1.20 . . . . 75 ASN H . 75 ASN N 18037 2 65 DNH . 1 1 77 77 ARG H H 1 . . 1 1 77 77 ARG N N 15 . -8.71 . . 0.42 . . . . 77 ARG H . 77 ARG N 18037 2 66 DNH . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . 6.55 . . 0.54 . . . . 78 VAL H . 78 VAL N 18037 2 67 DNH . 1 1 79 79 MET H H 1 . . 1 1 79 79 MET N N 15 . 14.27 . . 1.08 . . . . 79 MET H . 79 MET N 18037 2 68 DNH . 1 1 80 80 LYS H H 1 . . 1 1 80 80 LYS N N 15 . -12.36 . . 0.57 . . . . 80 LYS H . 80 LYS N 18037 2 69 DNH . 1 1 81 81 THR H H 1 . . 1 1 81 81 THR N N 15 . -14.22 . . 0.54 . . . . 81 THR H . 81 THR N 18037 2 70 DNH . 1 1 82 82 TYR H H 1 . . 1 1 82 82 TYR N N 15 . -21.68 . . 1.44 . . . . 82 TYR H . 82 TYR N 18037 2 71 DNH . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . -9.17 . . 1.37 . . . . 98 PHE H . 98 PHE N 18037 2 72 DNH . 1 1 103 103 ARG H H 1 . . 1 1 103 103 ARG N N 15 . -23.06 . . 1.95 . . . . 103 ARG H . 103 ARG N 18037 2 73 DNH . 1 1 104 104 GLN H H 1 . . 1 1 104 104 GLN N N 15 . -11.97 . . 2.50 . . . . 104 GLN H . 104 GLN N 18037 2 74 DNH . 1 1 105 105 ARG H H 1 . . 1 1 105 105 ARG N N 15 . -29.28 . . 1.40 . . . . 105 ARG H . 105 ARG N 18037 2 75 DNH . 1 1 108 108 GLY H H 1 . . 1 1 108 108 GLY N N 15 . 24.92 . . 2.03 . . . . 108 GLY H . 108 GLY N 18037 2 76 DNH . 1 1 109 109 GLY H H 1 . . 1 1 109 109 GLY N N 15 . 8.82 . . 0.47 . . . . 109 GLY H . 109 GLY N 18037 2 77 DNH . 1 1 114 114 TYR H H 1 . . 1 1 114 114 TYR N N 15 . 3.64 . . 1.63 . . . . 114 TYR H . 114 TYR N 18037 2 78 DNH . 1 1 116 116 LEU H H 1 . . 1 1 116 116 LEU N N 15 . -22.29 . . 3.02 . . . . 116 LEU H . 116 LEU N 18037 2 79 DNH . 1 1 127 127 GLY H H 1 . . 1 1 127 127 GLY N N 15 . -6.99 . . 2.13 . . . . 127 GLY H . 127 GLY N 18037 2 80 DNH . 1 1 130 130 ASN H H 1 . . 1 1 130 130 ASN N N 15 . -26.62 . . 0.93 . . . . 130 ASN H . 130 ASN N 18037 2 81 DNH . 1 1 132 132 ALA H H 1 . . 1 1 132 132 ALA N N 15 . 17.66 . . 0.64 . . . . 132 ALA H . 132 ALA N 18037 2 82 DNH . 1 1 147 147 ASN H H 1 . . 1 1 147 147 ASN N N 15 . -18.48 . . 1.82 . . . . 147 ASN H . 147 ASN N 18037 2 83 DNH . 1 1 151 151 ILE H H 1 . . 1 1 151 151 ILE N N 15 . -47.62 . . 1.74 . . . . 151 ILE H . 151 ILE N 18037 2 84 DNH . 1 1 152 152 GLU H H 1 . . 1 1 152 152 GLU N N 15 . -31.32 . . 1.40 . . . . 152 GLU H . 152 GLU N 18037 2 85 DNH . 1 1 153 153 LEU H H 1 . . 1 1 153 153 LEU N N 15 . -19.61 . . 1.66 . . . . 153 LEU H . 153 LEU N 18037 2 86 DNH . 1 1 154 154 ALA H H 1 . . 1 1 154 154 ALA N N 15 . -28.59 . . 1.37 . . . . 154 ALA H . 154 ALA N 18037 2 87 DNH . 1 1 155 155 SER H H 1 . . 1 1 155 155 SER N N 15 . -43.89 . . 1.39 . . . . 155 SER H . 155 SER N 18037 2 88 DNH . 1 1 156 156 ILE H H 1 . . 1 1 156 156 ILE N N 15 . -2.46 . . 0.53 . . . . 156 ILE H . 156 ILE N 18037 2 89 DNH . 1 1 157 157 VAL H H 1 . . 1 1 157 157 VAL N N 15 . -20.83 . . 0.75 . . . . 157 VAL H . 157 VAL N 18037 2 90 DNH . 1 1 159 159 ASN H H 1 . . 1 1 159 159 ASN N N 15 . 13.31 . . 0.80 . . . . 159 ASN H . 159 ASN N 18037 2 91 DNH . 1 1 160 160 GLY H H 1 . . 1 1 160 160 GLY N N 15 . 6.99 . . 1.46 . . . . 160 GLY H . 160 GLY N 18037 2 92 DNH . 1 1 161 161 THR H H 1 . . 1 1 161 161 THR N N 15 . 11.23 . . 1.73 . . . . 161 THR H . 161 THR N 18037 2 93 DNH . 1 1 162 162 ARG H H 1 . . 1 1 162 162 ARG N N 15 . 25.32 . . 1.34 . . . . 162 ARG H . 162 ARG N 18037 2 94 DNH . 1 1 163 163 VAL H H 1 . . 1 1 163 163 VAL N N 15 . -13.72 . . 2.69 . . . . 163 VAL H . 163 VAL N 18037 2 95 DNH . 1 1 164 164 THR H H 1 . . 1 1 164 164 THR N N 15 . 2.31 . . 2.43 . . . . 164 THR H . 164 THR N 18037 2 96 DNH . 1 1 165 165 ILE H H 1 . . 1 1 165 165 ILE N N 15 . -30.08 . . 2.79 . . . . 165 ILE H . 165 ILE N 18037 2 97 DNH . 1 1 166 166 ASN H H 1 . . 1 1 166 166 ASN N N 15 . -7.55 . . 2.08 . . . . 166 ASN H . 166 ASN N 18037 2 98 DNH . 1 1 167 167 ARG H H 1 . . 1 1 167 167 ARG N N 15 . -43.03 . . 1.85 . . . . 167 ARG H . 167 ARG N 18037 2 99 DNH . 1 1 168 168 GLY H H 1 . . 1 1 168 168 GLY N N 15 . -28.71 . . 0.65 . . . . 168 GLY H . 168 GLY N 18037 2 100 DNH . 1 1 169 169 SER H H 1 . . 1 1 169 169 SER N N 15 . 6.77 . . 0.72 . . . . 169 SER H . 169 SER N 18037 2 stop_ save_