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 bmr26694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 9.32 _LACS_plot.Line_2_terminator_val_y_2 6.72 _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 46 THR 9.32 7.71 0 108 MET -7.41 -0.49 0 10 LYS 3.63 2.58 1 11 GLN -1.70 -1.17 1 12 ARG 7.48 3.44 1 13 VAL 4.62 3.21 1 14 ILE -1.83 -0.55 1 16 TYR -2.18 -0.17 1 17 GLN 5.45 1.22 1 18 ASN 1.77 1.62 1 19 GLN -5.68 -1.85 1 20 LEU -0.13 -0.39 1 22 TRP -3.78 -3.23 1 23 HIS -0.39 0.53 1 24 LEU 1.34 1.65 1 26 ASN 4.04 2.64 1 27 ASP 1.26 3.55 1 28 LEU 5.25 2.30 1 29 LYS 4.13 3.59 1 30 HIS 1.62 4.40 1 31 ILE 4.50 2.89 1 32 LYS 5.32 4.02 1 33 GLN 4.57 2.99 1 34 LEU 1.06 1.90 1 35 THR -0.20 0.62 1 36 THR 6.07 5.05 1 38 ASN -2.07 -0.82 1 39 THR -0.32 1.05 1 40 LEU -4.68 -2.29 1 41 VAL -1.25 -1.32 1 42 MET -9.14 -3.28 1 43 ALA -1.33 -1.00 1 44 ARG 7.72 6.41 1 45 LYS 8.57 5.19 1 47 PHE 5.39 4.59 1 48 GLU 3.36 2.83 1 49 SER 3.33 2.77 1 50 ILE 4.30 3.81 1 52 LYS -1.84 -0.89 1 54 LEU 0.02 -1.78 1 56 ASN 3.63 1.62 1 57 ARG -2.32 -1.12 1 58 ARG 0.88 0.42 1 59 ASN -3.16 0.36 1 60 VAL -2.03 -1.91 1 61 VAL -4.02 -2.48 1 62 LEU -3.99 -2.17 1 63 THR -0.76 -1.24 1 64 ASN 0.34 1.25 1 65 GLN 0.78 1.29 1 66 ALA 2.15 1.93 1 67 SER -0.46 -0.85 1 68 PHE 1.36 1.94 1 69 HIS -2.81 1.00 1 73 VAL -3.23 -2.15 1 74 ASP -2.51 -0.85 1 75 VAL -1.67 -0.45 1 76 ILE -4.36 -1.60 1 77 ASN -4.23 -0.89 1 78 SER -3.76 -1.68 1 79 LEU 2.73 2.16 1 80 ASP 3.86 2.89 1 81 GLU 1.81 2.05 1 82 ILE 5.43 4.19 1 83 LYS 3.16 1.91 1 84 GLU -1.03 -1.00 1 85 LEU -0.03 -0.37 1 86 SER -1.78 -0.51 1 88 HIS -2.36 -0.20 1 89 VAL -1.18 -0.37 1 90 PHE -2.61 -1.44 1 91 ILE 1.55 -1.77 1 92 PHE -4.86 0.29 1 95 GLN 8.23 6.05 1 96 THR 5.90 4.63 1 97 LEU 0.85 1.16 1 98 TYR 2.84 2.08 1 99 GLU 3.67 3.30 1 100 ALA 0.17 1.46 1 101 MET -1.89 -1.63 1 102 ILE 5.45 4.64 1 103 ASP 1.74 1.30 1 104 GLN -2.34 0.08 1 105 VAL 1.44 0.30 1 106 ASP 2.05 3.41 1 107 ASP -1.66 -1.15 1 109 TYR 0.03 0.12 1 110 ILE -4.15 -1.24 1 111 THR -0.22 -1.56 1 112 VAL 0.59 -0.47 1 113 ILE -0.52 -0.88 1 114 ASP 0.32 -0.86 1 116 LYS -1.76 -0.48 1 117 PHE -2.65 -0.95 1 118 GLN 1.81 0.61 1 120 ASP -2.98 -1.20 1 121 THR -4.19 -0.59 1 122 PHE -4.62 -0.26 1 123 PHE -2.23 -0.02 1 126 TYR -3.30 -2.44 1 127 THR -4.62 -2.79 1 128 PHE 3.84 1.44 1 129 GLU 2.99 2.47 1 130 ASP -0.55 0.90 1 131 TRP -5.44 -1.58 1 132 GLU -5.48 -2.45 1 133 VAL 2.91 1.22 1 134 GLU 0.81 1.52 1 135 SER -2.17 -0.53 1 136 SER -1.67 -1.32 1 137 VAL -4.14 -0.93 1 138 GLU -0.08 0.04 1 140 GLN -0.38 0.03 1 141 LEU -0.52 -1.12 1 142 ASP 0.18 -0.45 1 143 GLU 3.57 2.81 1 144 LYS -1.47 -0.40 1 145 ASN -2.79 -0.54 1 146 THR 0.28 0.24 1 147 ILE -4.12 -1.15 1 149 HIS -1.78 -0.40 1 150 THR -3.03 -0.40 1 151 PHE 0.24 -0.55 1 152 LEU -5.14 -1.15 1 153 HIS -3.65 -1.43 1 154 LEU -4.01 -1.76 1 155 VAL -4.27 -2.38 1 156 ARG 3.36 1.87 1 157 ARG 1.51 0.87 1 160 LYS 0.89 1.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 6.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 9.32 _LACS_plot.Line_2_terminator_val_y_2 -2.60 _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 46 THR 9.32 -1.61 0 108 MET -7.41 6.92 0 10 LYS 3.63 -1.05 1 11 GLN -1.70 0.53 1 12 ARG 7.48 -4.04 1 13 VAL 4.62 -1.41 1 14 ILE -1.83 1.28 1 16 TYR -2.18 2.01 1 17 GLN 5.45 -4.23 1 18 ASN 1.77 -0.15 1 19 GLN -5.68 3.83 1 20 LEU -0.13 -0.26 1 22 TRP -3.78 0.55 1 23 HIS -0.39 0.92 1 24 LEU 1.34 0.31 1 26 ASN 4.04 -1.40 1 27 ASP 1.26 2.29 1 28 LEU 5.25 -2.95 1 29 LYS 4.13 -0.54 1 30 HIS 1.62 2.78 1 31 ILE 4.50 -1.61 1 32 LYS 5.32 -1.30 1 33 GLN 4.57 -1.58 1 34 LEU 1.06 0.84 1 35 THR -0.20 0.82 1 36 THR 6.07 -1.02 1 38 ASN -2.07 1.25 1 39 THR -0.32 1.37 1 40 LEU -4.68 2.39 1 41 VAL -1.25 -0.07 1 42 MET -9.14 5.86 1 43 ALA -1.33 0.33 1 44 ARG 7.72 -1.31 1 45 LYS 8.57 -3.38 1 47 PHE 5.39 -0.80 1 48 GLU 3.36 -0.53 1 49 SER 3.33 -0.56 1 50 ILE 4.30 -0.49 1 52 LYS -1.84 0.95 1 54 LEU 0.02 -1.80 1 56 ASN 3.63 -2.01 1 57 ARG -2.32 1.20 1 58 ARG 0.88 -0.46 1 59 ASN -3.16 3.52 1 60 VAL -2.03 0.12 1 61 VAL -4.02 1.54 1 62 LEU -3.99 1.82 1 63 THR -0.76 -0.48 1 64 ASN 0.34 0.91 1 65 GLN 0.78 0.51 1 66 ALA 2.15 -0.22 1 67 SER -0.46 -0.39 1 68 PHE 1.36 0.58 1 69 HIS -2.81 3.81 1 73 VAL -3.23 1.08 1 74 ASP -2.51 1.66 1 75 VAL -1.67 1.22 1 76 ILE -4.36 2.76 1 77 ASN -4.23 3.34 1 78 SER -3.76 2.08 1 79 LEU 2.73 -0.57 1 80 ASP 3.86 -0.97 1 81 GLU 1.81 0.24 1 82 ILE 5.43 -1.24 1 83 LYS 3.16 -1.25 1 84 GLU -1.03 0.03 1 85 LEU -0.03 -0.34 1 86 SER -1.78 1.27 1 88 HIS -2.36 2.16 1 89 VAL -1.18 0.81 1 90 PHE -2.61 1.17 1 91 ILE 1.55 -3.32 1 92 PHE -4.86 5.15 1 95 GLN 8.23 -2.18 1 96 THR 5.90 -1.27 1 97 LEU 0.85 0.31 1 98 TYR 2.84 -0.76 1 99 GLU 3.67 -0.37 1 100 ALA 0.17 1.29 1 101 MET -1.89 0.26 1 102 ILE 5.45 -0.81 1 103 ASP 1.74 -0.44 1 104 GLN -2.34 2.42 1 105 VAL 1.44 -1.14 1 106 ASP 2.05 1.36 1 107 ASP -1.66 0.51 1 109 TYR 0.03 0.09 1 110 ILE -4.15 2.91 1 111 THR -0.22 -1.34 1 112 VAL 0.59 -1.06 1 113 ILE -0.52 -0.36 1 114 ASP 0.32 -1.18 1 116 LYS -1.76 1.28 1 117 PHE -2.65 1.70 1 118 GLN 1.81 -1.20 1 120 ASP -2.98 1.78 1 121 THR -4.19 3.60 1 122 PHE -4.62 4.36 1 123 PHE -2.23 2.21 1 126 TYR -3.30 0.86 1 127 THR -4.62 1.83 1 128 PHE 3.84 -2.40 1 129 GLU 2.99 -0.52 1 130 ASP -0.55 1.45 1 131 TRP -5.44 3.86 1 132 GLU -5.48 3.03 1 133 VAL 2.91 -1.69 1 134 GLU 0.81 0.71 1 135 SER -2.17 1.64 1 136 SER -1.67 0.35 1 137 VAL -4.14 3.21 1 138 GLU -0.08 0.12 1 140 GLN -0.38 0.41 1 141 LEU -0.52 -0.60 1 142 ASP 0.18 -0.63 1 143 GLU 3.57 -0.76 1 144 LYS -1.47 1.07 1 145 ASN -2.79 2.25 1 146 THR 0.28 -0.04 1 147 ILE -4.12 2.97 1 149 HIS -1.78 1.38 1 150 THR -3.03 2.63 1 151 PHE 0.24 -0.79 1 152 LEU -5.14 3.99 1 153 HIS -3.65 2.22 1 154 LEU -4.01 2.25 1 155 VAL -4.27 1.89 1 156 ARG 3.36 -1.49 1 157 ARG 1.51 -0.64 1 160 LYS 0.89 0.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 9.32 _LACS_plot.Line_2_terminator_val_y_2 2.41 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ILE 5.45 -3.90 0 10 LYS 3.63 1.20 1 11 GLN -1.70 -1.70 1 12 ARG 7.48 -1.60 1 13 VAL 4.62 1.40 1 14 ILE -1.83 -1.10 1 16 TYR -2.18 -1.30 1 17 GLN 5.45 -0.80 1 18 ASN 1.77 -1.60 1 19 GLN -5.68 -0.40 1 22 TRP -3.78 -2.30 1 23 HIS -0.39 2.70 1 26 ASN 4.04 1.60 1 27 ASP 1.26 0.00 1 28 LEU 5.25 2.20 1 29 LYS 4.13 1.50 1 30 HIS 1.62 3.60 1 31 ILE 4.50 3.20 1 32 LYS 5.32 1.90 1 33 GLN 4.57 2.60 1 34 LEU 1.06 0.70 1 35 THR -0.20 0.10 1 36 THR 6.07 -0.40 1 38 ASN -2.07 -2.30 1 39 THR -0.32 -2.20 1 40 LEU -4.68 -2.70 1 41 VAL -1.25 -2.70 1 42 MET -9.14 -3.20 1 43 ALA -1.33 0.80 1 44 ARG 7.72 2.60 1 45 LYS 8.57 2.90 1 46 THR 9.32 1.10 1 47 PHE 5.39 0.90 1 48 GLU 3.36 1.90 1 49 SER 3.33 1.70 1 50 ILE 4.30 2.70 1 56 ASN 3.63 -2.00 1 57 ARG -2.32 -0.30 1 58 ARG 0.88 -0.80 1 59 ASN -3.16 -3.40 1 60 VAL -2.03 -1.90 1 61 VAL -4.02 -3.30 1 62 LEU -3.99 -3.00 1 63 THR -0.76 -2.30 1 64 ASN 0.34 1.60 1 65 GLN 0.78 -2.10 1 67 SER -0.46 -0.50 1 68 PHE 1.36 -3.80 1 73 VAL -3.23 -1.30 1 74 ASP -2.51 -2.10 1 75 VAL -1.67 0.40 1 76 ILE -4.36 -2.10 1 77 ASN -4.23 -1.50 1 78 SER -3.76 -0.40 1 79 LEU 2.73 2.80 1 80 ASP 3.86 2.10 1 81 GLU 1.81 2.50 1 82 ILE 5.43 1.60 1 83 LYS 3.16 -0.10 1 85 LEU -0.03 -1.30 1 88 HIS -2.36 2.40 1 89 VAL -1.18 -2.60 1 90 PHE -2.61 -0.40 1 91 ILE 1.55 -0.90 1 92 PHE -4.86 -2.10 1 95 GLN 8.23 2.00 1 96 THR 5.90 3.40 1 97 LEU 0.85 1.10 1 98 TYR 2.84 2.50 1 99 GLU 3.67 1.40 1 100 ALA 0.17 1.40 1 101 MET -1.89 2.90 1 103 ASP 1.74 -0.20 1 104 GLN -2.34 1.00 1 105 VAL 1.44 -0.90 1 106 ASP 2.05 -0.60 1 107 ASP -1.66 -2.60 1 108 MET -7.41 -2.40 1 109 TYR 0.03 -0.40 1 110 ILE -4.15 -0.70 1 111 THR -0.22 -1.90 1 112 VAL 0.59 -0.20 1 113 ILE -0.52 -1.20 1 114 ASP 0.32 -2.10 1 116 LYS -1.76 -1.80 1 117 PHE -2.65 -0.90 1 118 GLN 1.81 -1.00 1 120 ASP -2.98 -0.80 1 121 THR -4.19 -0.70 1 122 PHE -4.62 -1.40 1 126 TYR -3.30 -1.80 1 127 THR -4.62 0.60 1 128 PHE 3.84 0.70 1 129 GLU 2.99 -1.90 1 130 ASP -0.55 -0.70 1 131 TRP -5.44 -2.30 1 132 GLU -5.48 -0.80 1 133 VAL 2.91 -1.10 1 134 GLU 0.81 -0.40 1 135 SER -2.17 1.90 1 136 SER -1.67 -1.20 1 137 VAL -4.14 -1.90 1 138 GLU -0.08 0.50 1 140 GLN -0.38 -1.20 1 141 LEU -0.52 -0.40 1 143 GLU 3.57 0.80 1 144 LYS -1.47 0.20 1 145 ASN -2.79 -1.60 1 146 THR 0.28 -0.70 1 149 HIS -1.78 -1.80 1 150 THR -3.03 -2.60 1 151 PHE 0.24 -0.10 1 152 LEU -5.14 -0.70 1 153 HIS -3.65 -0.80 1 154 LEU -4.01 -2.30 1 155 VAL -4.27 -1.20 1 156 ARG 3.36 0.30 1 stop_ save_