data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 -3.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 6.54 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 THR -2.20 -4.21 0 110 LEU 8.68 3.06 0 106 ALA -7.16 -1.50 0 65 TYR -0.34 -3.54 0 10 ALA -4.56 -1.54 1 11 ASP -1.62 -0.81 1 12 ILE 3.12 3.26 1 13 ALA 1.66 1.41 1 14 THR -0.66 -0.41 1 15 ALA 0.89 1.77 1 16 ILE -0.76 -0.92 1 17 GLU 1.88 2.42 1 18 ASP 1.76 2.85 1 19 ALA -8.51 -3.47 1 20 VAL -3.42 -1.28 1 21 VAL -1.82 -2.06 1 22 ASN -4.35 -2.13 1 23 ALA 1.16 -0.62 1 24 ALA -5.28 -0.95 1 25 ASN -6.63 -2.21 1 26 HIS 1.65 3.13 1 27 ARG 0.37 -0.58 1 29 GLN -2.80 -1.44 1 30 VAL 6.23 1.99 1 32 ASP -0.27 0.32 1 34 VAL 4.30 3.49 1 36 ARG 5.03 3.40 1 37 ALA 1.16 2.02 1 38 VAL 5.09 3.92 1 39 ALA 2.71 2.21 1 40 ARG 3.37 2.39 1 41 LYS 0.65 0.57 1 42 TRP 3.63 1.51 1 44 GLN 1.52 1.11 1 45 ALA 2.72 0.86 1 46 PHE 2.17 1.36 1 47 ARG 1.93 0.53 1 48 ASN 0.57 0.17 1 49 ALA 2.55 2.03 1 50 ALA -1.09 -0.09 1 51 THR 3.50 1.82 1 53 VAL -4.59 -2.03 1 55 THR -6.11 -2.60 1 56 ALA -3.94 -0.90 1 57 LYS 3.24 1.52 1 58 THR -3.71 -1.39 1 59 VAL -0.03 0.53 1 60 LYS 4.69 2.86 1 62 ASP 0.60 0.09 1 63 GLU -0.65 0.89 1 64 THR 0.26 0.66 1 66 ILE -1.72 -1.39 1 67 ILE 0.18 1.44 1 68 HIS -5.60 -2.31 1 69 ALA 0.48 -1.88 1 70 VAL -0.15 -2.42 1 73 ASN 6.07 4.54 1 74 PHE 2.87 3.21 1 75 ASN -2.01 -0.68 1 76 ASN -1.96 -1.32 1 77 THR -1.98 -0.64 1 78 SER 4.37 3.15 1 79 GLU 3.58 2.93 1 80 ALA 2.45 2.34 1 81 GLU 3.78 5.39 1 83 ASP 4.26 3.13 1 84 ARG 3.48 3.13 1 85 ASP 2.46 2.40 1 86 LEU 4.29 3.10 1 87 ALA 3.84 2.91 1 88 ALA 4.42 2.48 1 89 ALA 5.04 5.09 1 90 TYR 5.65 4.69 1 91 ARG 3.47 2.21 1 92 ALA 6.30 4.96 1 93 VAL 3.60 2.95 1 94 ALA 3.83 2.59 1 95 ALA 1.09 1.38 1 96 GLU 4.90 2.94 1 97 ILE 3.53 2.23 1 98 ASN 3.48 3.41 1 99 ARG -0.94 -0.87 1 100 LEU 2.68 0.11 1 101 SER 0.26 0.45 1 102 ILE 1.90 2.33 1 103 SER -4.32 -1.98 1 104 SER -6.09 -3.64 1 105 VAL -6.15 -2.56 1 107 ILE 0.64 -1.01 1 109 LEU -0.22 -1.29 1 111 SER -0.32 -0.73 1 115 PHE 1.70 3.29 1 116 SER 2.64 0.83 1 117 ALA -3.35 -1.96 1 119 LYS -0.59 -1.61 1 121 ARG 8.16 5.55 1 122 VAL 5.20 5.90 1 123 HIS 3.73 2.66 1 124 GLN 2.34 3.62 1 125 SER 2.20 1.96 1 126 LEU 5.33 3.84 1 127 SER -0.14 3.23 1 128 HIS 5.54 4.86 1 129 LEU 3.09 1.97 1 130 LEU 2.98 2.33 1 131 ALA 0.32 1.29 1 132 ALA 4.44 0.91 1 133 MET 2.98 2.28 1 134 ASP 0.79 0.46 1 135 THR -4.17 -1.61 1 136 THR -2.73 -3.28 1 137 GLU -0.53 -0.44 1 138 ALA 2.03 0.58 1 139 ARG -1.07 -0.82 1 140 VAL -1.38 -1.50 1 141 THR -1.22 -0.65 1 142 ILE -3.49 -0.54 1 143 TYR -1.51 -0.73 1 145 ARG 5.61 3.85 1 148 THR 3.63 2.55 1 149 TRP 3.21 3.60 1 150 GLU 3.99 2.85 1 151 GLN 3.81 3.83 1 152 LYS 3.90 4.04 1 153 ILE 5.30 4.58 1 154 LYS 6.31 5.36 1 155 THR 5.90 4.35 1 156 VAL 4.13 2.71 1 157 LEU 2.90 2.25 1 158 GLN 0.40 0.70 1 159 ASN 2.14 1.49 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 5.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 -2.14 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 THR -2.20 -2.01 0 110 LEU 8.68 -5.62 0 106 ALA -7.16 5.66 0 65 TYR -0.34 -3.20 0 10 ALA -4.56 3.02 1 11 ASP -1.62 0.81 1 12 ILE 3.12 0.14 1 13 ALA 1.66 -0.25 1 14 THR -0.66 0.25 1 15 ALA 0.89 0.88 1 16 ILE -0.76 -0.16 1 17 GLU 1.88 0.54 1 18 ASP 1.76 1.09 1 19 ALA -8.51 5.04 1 20 VAL -3.42 2.14 1 21 VAL -1.82 -0.24 1 22 ASN -4.35 2.22 1 23 ALA 1.16 -1.78 1 24 ALA -5.28 4.33 1 25 ASN -6.63 4.42 1 26 HIS 1.65 1.48 1 27 ARG 0.37 -0.95 1 29 GLN -2.80 1.36 1 30 VAL 6.23 -4.24 1 32 ASP -0.27 0.59 1 34 VAL 4.30 -0.81 1 36 ARG 5.03 -1.63 1 37 ALA 1.16 0.86 1 38 VAL 5.09 -1.17 1 39 ALA 2.71 -0.50 1 40 ARG 3.37 -0.98 1 41 LYS 0.65 -0.08 1 42 TRP 3.63 -2.12 1 44 GLN 1.52 -0.41 1 45 ALA 2.72 -1.86 1 46 PHE 2.17 -0.81 1 47 ARG 1.93 -1.40 1 48 ASN 0.57 -0.40 1 49 ALA 2.55 -0.52 1 50 ALA -1.09 1.00 1 51 THR 3.50 -1.68 1 53 VAL -4.59 2.56 1 55 THR -6.11 3.51 1 56 ALA -3.94 3.04 1 57 LYS 3.24 -1.72 1 58 THR -3.71 2.32 1 59 VAL -0.03 0.56 1 60 LYS 4.69 -1.83 1 62 ASP 0.60 -0.51 1 63 GLU -0.65 1.54 1 64 THR 0.26 0.40 1 66 ILE -1.72 0.33 1 67 ILE 0.18 1.26 1 68 HIS -5.60 3.29 1 69 ALA 0.48 -2.36 1 70 VAL -0.15 -2.27 1 73 ASN 6.07 -1.53 1 74 PHE 2.87 0.34 1 75 ASN -2.01 1.33 1 76 ASN -1.96 0.64 1 77 THR -1.98 1.34 1 78 SER 4.37 -1.22 1 79 GLU 3.58 -0.65 1 80 ALA 2.45 -0.11 1 81 GLU 3.78 1.61 1 83 ASP 4.26 -1.13 1 84 ARG 3.48 -0.35 1 85 ASP 2.46 -0.06 1 86 LEU 4.29 -1.19 1 87 ALA 3.84 -0.93 1 88 ALA 4.42 -1.94 1 89 ALA 5.04 0.05 1 90 TYR 5.65 -0.96 1 91 ARG 3.47 -1.26 1 92 ALA 6.30 -1.34 1 93 VAL 3.60 -0.65 1 94 ALA 3.83 -1.24 1 95 ALA 1.09 0.29 1 96 GLU 4.90 -1.96 1 97 ILE 3.53 -1.30 1 98 ASN 3.48 -0.07 1 99 ARG -0.94 0.07 1 100 LEU 2.68 -2.57 1 101 SER 0.26 0.19 1 102 ILE 1.90 0.43 1 103 SER -4.32 2.34 1 104 SER -6.09 2.45 1 105 VAL -6.15 3.59 1 107 ILE 0.64 -1.65 1 109 LEU -0.22 -1.07 1 111 SER -0.32 -0.41 1 115 PHE 1.70 1.59 1 116 SER 2.64 -1.81 1 117 ALA -3.35 1.39 1 119 LYS -0.59 -1.02 1 121 ARG 8.16 -2.61 1 122 VAL 5.20 0.70 1 123 HIS 3.73 -1.07 1 124 GLN 2.34 1.28 1 125 SER 2.20 -0.24 1 126 LEU 5.33 -1.49 1 127 SER -0.14 3.37 1 128 HIS 5.54 -0.68 1 129 LEU 3.09 -1.12 1 130 LEU 2.98 -0.65 1 131 ALA 0.32 0.97 1 132 ALA 4.44 -3.53 1 133 MET 2.98 -0.70 1 134 ASP 0.79 -0.33 1 135 THR -4.17 2.56 1 136 THR -2.73 -0.55 1 137 GLU -0.53 0.09 1 138 ALA 2.03 -1.45 1 139 ARG -1.07 0.25 1 140 VAL -1.38 -0.12 1 141 THR -1.22 0.57 1 142 ILE -3.49 2.95 1 143 TYR -1.51 0.78 1 145 ARG 5.61 -1.76 1 148 THR 3.63 -1.08 1 149 TRP 3.21 0.39 1 150 GLU 3.99 -1.14 1 151 GLN 3.81 0.02 1 152 LYS 3.90 0.14 1 153 ILE 5.30 -0.72 1 154 LYS 6.31 -0.95 1 155 THR 5.90 -1.55 1 156 VAL 4.13 -1.42 1 157 LEU 2.90 -0.65 1 158 GLN 0.40 0.30 1 159 ASN 2.14 -0.65 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 THR -6.11 1.50 0 128 HIS 5.54 -1.61 0 10 ALA -4.56 0.10 1 11 ASP -1.62 0.40 1 12 ILE 3.12 -0.59 1 13 ALA 1.66 -0.14 1 14 THR -0.66 0.00 1 15 ALA 0.89 0.18 1 16 ILE -0.76 0.45 1 17 GLU 1.88 -0.33 1 18 ASP 1.76 -0.24 1 19 ALA -8.51 1.35 1 20 VAL -3.42 0.30 1 21 VAL -1.82 0.52 1 22 ASN -4.35 -0.14 1 23 ALA 1.16 0.25 1 24 ALA -5.28 0.25 1 25 ASN -6.63 0.90 1 26 HIS 1.65 0.47 1 27 ARG 0.37 -0.19 1 29 GLN -2.80 0.04 1 30 VAL 6.23 -0.79 1 32 ASP -0.27 0.32 1 34 VAL 4.30 -0.60 1 36 ARG 5.03 -0.62 1 37 ALA 1.16 -0.12 1 38 VAL 5.09 -0.15 1 39 ALA 2.71 -0.30 1 40 ARG 3.37 -0.36 1 41 LYS 0.65 -0.36 1 42 TRP 3.63 0.03 1 44 GLN 1.52 -0.36 1 45 ALA 2.72 -0.62 1 46 PHE 2.17 -0.16 1 47 ARG 1.93 -0.20 1 48 ASN 0.57 -0.55 1 49 ALA 2.55 -0.90 1 50 ALA -1.09 0.16 1 51 THR -4.59 0.12 1 56 ALA -3.94 0.26 1 57 LYS 3.24 0.65 1 58 THR -3.71 0.19 1 59 VAL -0.03 -0.03 1 60 LYS 4.69 -0.59 1 62 ASP 0.60 -0.09 1 63 GLU -0.65 0.05 1 64 THR 0.26 -0.13 1 65 TYR -0.34 0.46 1 66 ILE -1.72 0.10 1 67 ILE 0.18 -0.33 1 68 HIS -5.60 0.73 1 69 ALA 0.48 0.27 1 70 VAL -0.15 -0.59 1 73 ASN 6.07 -0.44 1 74 PHE 2.87 -0.27 1 75 ASN -1.96 0.26 1 77 THR -1.98 0.16 1 78 SER 4.37 -0.06 1 79 GLU 3.58 -0.06 1 80 ALA 2.45 -0.52 1 81 GLU 3.78 -0.14 1 83 ASP 4.26 -0.29 1 84 ARG 3.48 -0.12 1 85 ASP 2.46 -0.36 1 86 LEU 4.29 -0.47 1 87 ALA 3.84 -0.38 1 88 ALA 4.42 -0.75 1 89 ALA 5.04 -0.38 1 90 TYR 5.65 -0.37 1 91 ARG 3.47 -0.07 1 92 ALA 6.30 -0.93 1 93 VAL 3.60 -0.62 1 94 ALA 3.83 -0.17 1 95 ALA 1.09 -0.24 1 96 GLU 4.90 -0.80 1 97 ILE 3.53 -0.26 1 98 ASN 3.48 -0.28 1 99 ARG -0.94 -0.11 1 100 LEU 2.68 -0.47 1 101 SER 0.26 -0.23 1 102 ILE 1.90 -0.06 1 103 SER -4.32 1.23 1 104 SER -6.09 1.05 1 105 VAL -6.15 1.25 1 106 ALA -7.16 0.78 1 107 ILE 0.64 0.23 1 109 LEU -0.22 0.54 1 110 LEU 8.68 -0.55 1 111 SER -0.32 0.55 1 112 THR -2.20 -0.10 1 115 PHE 1.70 -0.11 1 116 SER 2.64 -0.05 1 117 ALA -3.35 0.16 1 119 LYS -0.59 0.53 1 121 ARG 8.16 -1.08 1 122 VAL 5.20 -0.75 1 123 HIS 3.73 -0.44 1 124 GLN 2.34 -0.12 1 125 SER 2.20 -0.46 1 126 LEU 5.33 -0.76 1 127 SER -0.14 0.07 1 129 LEU 3.09 -0.51 1 130 LEU 2.98 -0.31 1 131 ALA 0.32 -0.03 1 132 ALA 4.44 0.07 1 133 MET 2.98 0.04 1 134 ASP 0.79 0.25 1 135 THR -4.17 0.89 1 136 THR -2.73 0.11 1 137 GLU -0.53 -0.19 1 138 ALA 2.03 0.15 1 139 ARG -1.07 0.33 1 140 VAL -1.38 0.55 1 141 THR -1.22 1.02 1 142 ILE -3.49 -0.13 1 143 TYR -1.51 0.14 1 145 ARG 5.61 -0.14 1 148 THR 3.63 -0.18 1 149 TRP 3.21 -0.54 1 150 GLU 3.99 -0.31 1 151 GLN 3.81 -0.24 1 152 LYS 3.90 -0.75 1 153 ILE 5.30 -0.57 1 154 LYS 6.31 -0.48 1 155 THR 5.90 -0.52 1 156 VAL 4.13 -0.62 1 157 LEU 2.90 -0.23 1 158 GLN 0.40 0.02 1 159 ASN 2.14 -0.21 1 stop_ save_