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 bmr25334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.64 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _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 -1.16 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 3.90 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 ASP -2.17 1.94 0 26 ALA 4.71 3.88 0 40 THR 6.67 3.68 0 79 ILE 2.91 3.78 0 10 THR -1.16 0.29 1 11 VAL -3.58 -2.03 1 12 HIS -8.64 -1.97 1 13 PHE -1.26 -0.50 1 14 LYS -6.42 -3.00 1 16 GLU -4.99 -0.09 1 17 VAL -1.44 -2.21 1 18 VAL -6.30 -3.54 1 19 ASN -0.10 -2.04 1 20 ALA -5.82 -1.67 1 21 ALA -0.47 1.91 1 23 ALA -6.27 -2.73 1 24 VAL 3.83 2.67 1 28 SER -1.86 0.68 1 29 VAL 2.66 2.36 1 30 ASP -0.54 0.21 1 31 GLN -4.33 -0.96 1 32 THR -0.28 0.19 1 33 VAL -1.82 -1.16 1 34 GLN -1.95 -1.68 1 35 LEU 3.64 2.28 1 37 GLN -3.69 -1.97 1 38 VAL -4.49 -2.31 1 39 ARG 0.27 -0.41 1 41 ALA 2.58 1.95 1 42 SER 0.99 1.09 1 43 LEU -5.11 -3.44 1 44 ALA -0.06 0.75 1 45 GLN -4.40 -2.37 1 46 GLU 1.69 0.37 1 48 ALA -0.49 0.20 1 49 THR -6.76 -3.61 1 50 SER -3.06 -0.79 1 51 SER 1.80 1.34 1 52 ALA -5.28 -1.38 1 53 VAL -3.48 -1.17 1 55 PHE -3.15 -0.53 1 56 ASN -6.27 -1.90 1 57 ILE -2.16 -0.08 1 58 GLN -2.19 -0.71 1 59 LEU -4.26 -2.28 1 60 ASN -4.76 -2.64 1 61 ASP -1.60 -0.28 1 63 ASP -2.39 -1.97 1 64 THR 2.57 1.20 1 65 ASN 2.19 1.48 1 66 VAL 2.43 1.90 1 67 ALA -4.47 -0.38 1 68 SER -1.87 0.07 1 69 LYS -5.68 -1.13 1 70 ALA -8.42 -2.81 1 71 ALA -6.23 -1.17 1 72 VAL -4.58 -1.35 1 73 ALA -3.96 -2.76 1 74 PHE -3.58 -0.99 1 75 LEU -5.04 -2.07 1 77 THR 2.64 1.13 1 78 ALA -3.27 -2.13 1 80 ASP -0.91 -0.06 1 81 ALA 2.27 1.70 1 83 HIS 0.68 -0.35 1 84 THR 3.19 1.67 1 85 ASN -1.26 -1.99 1 86 VAL -0.70 -0.29 1 87 LEU 1.15 -0.41 1 88 ALA -2.91 -1.41 1 89 LEU -0.85 -1.66 1 90 GLN -1.49 -1.34 1 91 SER -0.71 0.01 1 92 SER 2.75 1.63 1 93 ALA -8.41 -2.13 1 94 ALA -0.29 0.53 1 96 SER -0.29 0.39 1 97 ALA -3.25 -1.66 1 98 THR 4.01 0.62 1 99 ASN -4.29 -2.27 1 100 VAL -2.64 -0.84 1 102 VAL -5.94 -1.58 1 103 GLN -1.47 -0.69 1 104 ILE -3.51 -2.96 1 105 LEU -4.69 -2.95 1 106 ASP 5.18 1.73 1 107 ARG -0.25 -0.09 1 108 THR -2.67 -1.56 1 110 ALA -0.82 -1.17 1 111 ALA -0.61 -0.76 1 112 LEU 3.79 2.64 1 113 THR 1.30 -0.47 1 114 LEU -1.67 -1.15 1 115 ASP -3.36 -1.41 1 117 ALA 2.35 0.14 1 118 THR 1.43 2.16 1 119 PHE -3.36 -0.32 1 120 SER 2.05 1.98 1 121 SER -0.72 0.48 1 122 GLU 0.67 0.33 1 123 THR 2.71 2.28 1 124 THR -2.96 -1.43 1 125 LEU -6.05 -1.65 1 126 ASN 1.76 1.08 1 127 ASN 2.73 1.86 1 129 THR -6.20 -0.91 1 130 ASN 0.27 0.24 1 131 THR -1.33 -1.80 1 132 ILE -6.12 -1.19 1 134 PHE -6.90 -1.52 1 135 GLN -7.31 -2.80 1 136 ALA -4.71 -2.45 1 137 ARG -1.91 0.21 1 138 TYR -6.35 -1.58 1 139 PHE -3.19 -2.11 1 140 ALA 1.80 -1.11 1 141 THR 1.49 -0.50 1 143 ALA -2.41 -0.08 1 144 ALA 0.06 -1.71 1 145 THR 1.52 1.64 1 148 ALA -0.39 -1.42 1 149 ALA -2.89 -1.97 1 150 ASN -5.41 -0.31 1 151 ALA -5.07 -0.04 1 152 ASP -5.64 -1.37 1 153 ALA -3.23 -1.60 1 154 THR -4.97 -2.30 1 155 PHE -4.75 -2.25 1 156 LYS -2.65 -1.23 1 157 VAL -8.06 -2.31 1 158 GLN -6.47 -1.45 1 159 TYR -1.28 1.97 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.64 _LACS_plot.Line_1_terminator_val_y_1 5.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 -2.77 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 ASP -2.17 4.11 0 26 ALA 4.71 -0.83 0 40 THR 6.67 -2.99 0 79 ILE 2.91 0.87 0 10 THR -1.16 1.45 1 11 VAL -3.58 1.55 1 12 HIS -8.64 6.67 1 13 PHE -1.26 0.76 1 14 LYS -6.42 3.42 1 16 GLU -4.99 4.90 1 17 VAL -1.44 -0.77 1 18 VAL -6.30 2.76 1 19 ASN -0.10 -1.94 1 20 ALA -5.82 4.15 1 21 ALA -0.47 2.38 1 23 ALA -6.27 3.54 1 24 VAL 3.83 -1.16 1 28 SER -1.86 2.54 1 29 VAL 2.66 -0.30 1 30 ASP -0.54 0.75 1 31 GLN -4.33 3.37 1 32 THR -0.28 0.47 1 33 VAL -1.82 0.66 1 34 GLN -1.95 0.27 1 35 LEU 3.64 -1.36 1 37 GLN -3.69 1.72 1 38 VAL -4.49 2.18 1 39 ARG 0.27 -0.68 1 41 ALA 2.58 -0.63 1 42 SER 0.99 0.10 1 43 LEU -5.11 1.67 1 44 ALA -0.06 0.81 1 45 GLN -4.40 2.03 1 46 GLU 1.69 -1.32 1 48 ALA -0.49 0.69 1 49 THR -6.76 3.15 1 50 SER -3.06 2.27 1 51 SER 1.80 -0.46 1 52 ALA -5.28 3.90 1 53 VAL -3.48 2.31 1 55 PHE -3.15 2.62 1 56 ASN -6.27 4.37 1 57 ILE -2.16 2.08 1 58 GLN -2.19 1.48 1 59 LEU -4.26 1.98 1 60 ASN -4.76 2.12 1 61 ASP -1.60 1.32 1 63 ASP -2.39 0.42 1 64 THR 2.57 -1.37 1 65 ASN 2.19 -0.71 1 66 VAL 2.43 -0.53 1 67 ALA -4.47 4.09 1 68 SER -1.87 1.94 1 69 LYS -5.68 4.55 1 70 ALA -8.42 5.61 1 71 ALA -6.23 5.06 1 72 VAL -4.58 3.23 1 73 ALA -3.96 1.20 1 74 PHE -3.58 2.59 1 75 LEU -5.04 2.97 1 77 THR 2.64 -1.51 1 78 ALA -3.27 1.14 1 80 ASP -0.91 0.85 1 81 ALA 2.27 -0.57 1 83 HIS 0.68 -1.03 1 84 THR 3.19 -1.52 1 85 ASN -1.26 -0.73 1 86 VAL -0.70 0.41 1 87 LEU 1.15 -1.56 1 88 ALA -2.91 1.50 1 89 LEU -0.85 -0.81 1 90 GLN -1.49 0.15 1 91 SER -0.71 0.72 1 92 SER 2.75 -1.12 1 93 ALA -8.41 6.28 1 94 ALA -0.29 0.82 1 96 SER -0.29 0.68 1 97 ALA -3.25 1.59 1 98 THR 4.01 -3.39 1 99 ASN -4.29 2.02 1 100 VAL -2.64 1.80 1 102 VAL -5.94 4.36 1 103 GLN -1.47 0.78 1 104 ILE -3.51 0.55 1 105 LEU -4.69 1.74 1 106 ASP 5.18 -3.45 1 107 ARG -0.25 0.16 1 108 THR -2.67 1.11 1 110 ALA -0.82 -0.35 1 111 ALA -0.61 -0.15 1 112 LEU 3.79 -1.15 1 113 THR 1.30 -1.77 1 114 LEU -1.67 0.52 1 115 ASP -3.36 1.95 1 117 ALA 2.35 -2.21 1 118 THR 1.43 0.73 1 119 PHE -3.36 3.04 1 120 SER 2.05 -0.07 1 121 SER -0.72 1.20 1 122 GLU 0.67 -0.34 1 123 THR 2.71 -0.43 1 124 THR -2.96 1.53 1 125 LEU -6.05 4.40 1 126 ASN 1.76 -0.68 1 127 ASN 2.73 -0.87 1 129 THR -6.20 5.29 1 130 ASN 0.27 -0.03 1 131 THR -1.33 -0.47 1 132 ILE -6.12 4.93 1 134 PHE -6.90 5.38 1 135 GLN -7.31 4.51 1 136 ALA -4.71 2.26 1 137 ARG -1.91 2.12 1 138 TYR -6.35 4.77 1 139 PHE -3.19 1.08 1 140 ALA 1.80 -2.91 1 141 THR 1.49 -1.99 1 143 ALA -2.41 2.33 1 144 ALA 0.06 -1.77 1 145 THR 1.52 0.12 1 148 ALA -0.39 -1.03 1 149 ALA -2.89 0.92 1 150 ASN -5.41 5.10 1 151 ALA -5.07 5.03 1 152 ASP -5.64 4.27 1 153 ALA -3.23 1.63 1 154 THR -4.97 2.67 1 155 PHE -4.75 2.50 1 156 LYS -2.65 1.42 1 157 VAL -8.06 5.75 1 158 GLN -6.47 5.02 1 159 TYR -1.28 3.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.64 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 1.23 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 ALA -8.41 1.75 0 40 THR 6.67 3.93 0 10 THR -1.16 -2.37 1 11 VAL -3.58 -4.28 1 12 HIS -8.64 -1.01 1 13 PHE -1.26 0.43 1 14 LYS -6.42 -2.35 1 16 GLU -4.99 -3.42 1 17 VAL -1.44 0.66 1 18 VAL -6.30 -2.25 1 19 ASN -0.10 -1.60 1 20 ALA -5.82 -1.00 1 21 ALA -0.47 -3.28 1 23 ALA -6.27 -2.20 1 24 VAL 3.83 0.76 1 25 ASP -2.17 0.95 1 26 ALA 4.71 1.05 1 28 SER -1.86 -0.07 1 29 VAL 2.66 0.22 1 30 ASP -0.54 -1.37 1 31 GLN -4.33 -2.22 1 32 THR -0.28 -1.24 1 33 VAL -1.82 -2.49 1 34 GLN -1.95 -1.09 1 35 LEU 3.64 -0.54 1 37 GLN -3.69 -0.01 1 38 VAL -4.49 -3.95 1 39 ARG 0.27 3.40 1 41 ALA 2.58 1.42 1 42 SER 0.99 -1.82 1 43 LEU -5.11 -3.02 1 44 ALA -0.06 -0.99 1 45 GLN -4.40 -3.41 1 46 GLU 1.69 0.90 1 48 ALA -0.49 -2.12 1 49 THR -6.76 0.62 1 50 SER -3.06 0.05 1 51 SER 1.80 -2.00 1 52 ALA -5.28 -1.02 1 53 VAL -3.48 -1.04 1 55 PHE -3.15 -4.76 1 56 ASN -6.27 0.30 1 57 ILE -2.16 -2.75 1 58 GLN -2.19 -2.46 1 59 LEU -4.26 -3.96 1 60 ASN -4.76 1.12 1 61 ASP -1.60 -1.69 1 63 ASP -2.39 1.81 1 64 THR 2.57 1.74 1 65 ASN 2.19 1.04 1 66 VAL 2.43 -0.66 1 67 ALA -4.47 -4.26 1 68 SER -1.87 0.36 1 69 LYS -5.68 -2.04 1 70 ALA -8.42 -1.60 1 71 ALA -6.23 -3.39 1 72 VAL -4.58 -2.33 1 73 ALA -3.96 -1.53 1 74 PHE -3.58 -1.17 1 75 LEU -5.04 -3.07 1 77 THR 2.64 -1.47 1 78 ALA -3.27 0.02 1 79 ILE 2.91 -1.59 1 80 ASP -0.91 0.05 1 81 ALA 2.27 0.63 1 83 HIS 0.68 0.52 1 84 THR 3.19 -0.14 1 85 ASN -1.26 -1.04 1 86 VAL -0.70 -3.41 1 87 LEU 1.15 -1.64 1 88 ALA -2.91 -2.11 1 89 LEU -0.85 1.77 1 90 GLN -1.49 0.60 1 91 SER -0.71 -1.32 1 92 SER 2.75 -2.58 1 94 ALA -0.29 -0.28 1 96 SER -0.29 -0.63 1 97 ALA -3.25 -1.61 1 98 THR 4.01 -1.49 1 99 ASN -4.29 -3.62 1 100 VAL -2.64 -1.38 1 102 VAL -5.94 -2.64 1 103 GLN -1.47 -2.56 1 104 ILE -3.51 0.39 1 105 LEU -4.69 1.09 1 106 ASP 5.18 1.44 1 107 ARG -0.25 -1.17 1 108 THR -2.67 -1.64 1 110 ALA -0.82 0.95 1 111 ALA -0.61 -0.51 1 112 LEU 3.79 0.12 1 113 THR 1.30 0.00 1 114 LEU -1.67 1.21 1 115 ASP -3.36 -2.37 1 117 ALA 2.35 -0.78 1 118 THR 1.43 1.00 1 119 PHE -3.36 -2.08 1 120 SER 2.05 1.83 1 121 SER -0.72 0.36 1 122 GLU 0.67 -2.33 1 123 THR 2.71 -1.08 1 124 THR -2.96 0.59 1 125 LEU -6.05 0.17 1 126 ASN 1.76 2.95 1 127 ASN 2.73 -0.28 1 129 THR -6.20 -2.41 1 130 ASN 0.27 -2.41 1 131 THR -1.33 -1.10 1 132 ILE -6.12 0.33 1 134 PHE -6.90 -1.51 1 135 GLN -7.31 -2.49 1 136 ALA -4.71 -3.40 1 137 ARG -1.91 -0.97 1 138 TYR -6.35 -2.29 1 139 PHE -3.19 -1.94 1 140 ALA 1.80 -0.91 1 141 THR 1.49 -0.59 1 143 ALA -2.41 0.29 1 144 ALA 0.06 -1.89 1 145 THR 1.52 -0.64 1 148 ALA -0.39 -4.01 1 149 ALA -2.89 -1.46 1 150 ASN -5.41 -2.23 1 151 ALA -5.07 -3.54 1 152 ASP -5.64 -1.92 1 153 ALA -3.23 -0.86 1 154 THR -4.97 -2.21 1 155 PHE -4.75 -2.43 1 156 LYS -2.65 -3.34 1 157 VAL -8.06 -2.11 1 158 GLN -6.47 -0.03 1 159 TYR -1.28 3.26 1 stop_ save_