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 bmr17390_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.28 _LACS_plot.Line_1_terminator_val_y_1 -3.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 5.25 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ASP 1.91 -1.73 0 10 SER -1.18 -0.80 1 11 ASP -1.53 -0.92 1 13 GLU 2.12 1.36 1 14 ILE 1.24 0.68 1 15 LEU 3.46 2.92 1 16 LYS 5.32 4.10 1 17 GLU 2.85 2.35 1 18 ILE 5.39 4.00 1 19 VAL 7.30 5.44 1 20 ARG 4.17 3.40 1 21 GLU 2.66 1.87 1 22 ILE 5.00 4.29 1 23 LYS 4.17 2.12 1 24 ARG 3.72 2.48 1 25 GLN 0.38 -0.65 1 27 VAL -2.34 -1.85 1 28 ARG 0.82 0.70 1 29 VAL -4.37 -2.25 1 30 VAL -3.61 -2.67 1 31 LEU -5.97 -2.54 1 32 LEU 0.70 -1.52 1 33 TYR -2.34 -1.39 1 34 SER -2.71 -2.34 1 35 ASP -2.06 -0.06 1 36 GLN 1.54 0.90 1 37 ASP -0.87 -0.95 1 38 GLU 2.80 2.55 1 39 LYS 3.83 2.72 1 40 ARG 2.59 2.23 1 41 ARG 3.23 2.84 1 42 ARG 4.62 3.19 1 43 GLU 3.00 2.33 1 44 ARG 3.90 2.45 1 45 LEU 4.81 3.94 1 46 GLU 3.22 2.63 1 47 GLU 3.02 2.28 1 48 PHE 3.82 1.84 1 49 GLU 4.07 3.34 1 50 LYS 3.42 2.34 1 51 GLN -0.53 -0.34 1 53 VAL -0.28 -0.60 1 54 ASP 0.14 -1.32 1 55 VAL -2.34 -2.19 1 56 ARG -3.12 -2.90 1 57 THR 1.13 -0.11 1 58 VAL -4.61 -3.04 1 59 GLU -0.30 0.82 1 60 ASP -2.60 -1.77 1 61 LYS 4.31 3.19 1 62 GLU 4.48 2.95 1 63 ASP 1.44 1.99 1 64 PHE 3.99 2.59 1 65 ARG 5.09 4.02 1 66 GLU 3.44 2.50 1 67 ASN 2.91 4.28 1 68 ILE 5.49 3.52 1 69 ARG 4.37 2.83 1 70 GLU 3.45 2.54 1 71 ILE 7.01 4.82 1 72 TRP -0.18 0.40 1 73 GLU 0.66 0.55 1 74 ARG 1.23 1.48 1 75 TYR -0.23 -1.25 1 77 GLN 1.37 -0.01 1 78 LEU 4.26 0.67 1 80 VAL -6.28 -4.13 1 81 VAL -1.43 -0.64 1 82 VAL -1.49 -2.10 1 83 ILE -3.04 -2.00 1 84 VAL -2.56 -2.49 1 85 THR 0.52 -1.78 1 86 THR -1.09 -2.42 1 87 ASP -2.18 -2.29 1 88 ASP -0.34 0.52 1 89 LYS 4.11 3.16 1 90 GLU 3.34 2.26 1 91 TRP 5.90 3.21 1 92 ILE 6.55 4.23 1 93 LYS 4.85 3.80 1 94 ASP 4.19 3.45 1 95 PHE 4.08 4.01 1 96 ILE 5.63 4.80 1 97 GLU 3.77 3.13 1 98 GLU 2.91 1.88 1 99 ALA 3.79 2.64 1 100 LYS 4.50 3.28 1 101 GLU 2.92 1.92 1 102 ARG -0.63 -1.62 1 104 VAL -2.62 -1.80 1 105 GLU -0.75 -0.17 1 106 VAL -3.67 -1.79 1 107 PHE -2.33 -1.23 1 108 VAL -3.60 -2.33 1 109 VAL -1.67 -1.72 1 110 TYR -4.17 -2.41 1 111 ASN -4.73 -2.46 1 112 ASN -2.57 0.16 1 113 LYS 2.11 1.44 1 114 ASP -1.29 -0.20 1 115 ASP 2.11 2.35 1 116 ASP 3.42 2.35 1 117 ARG 2.46 1.36 1 118 ARG 5.22 4.00 1 119 LYS 3.71 2.55 1 120 GLU 1.95 1.61 1 121 ALA 3.01 1.55 1 122 GLN 2.96 2.26 1 123 GLN 1.73 1.24 1 124 GLU 1.27 1.09 1 125 PHE -0.13 -1.15 1 126 ARG 1.96 1.14 1 127 SER -0.60 -0.59 1 128 ASP 2.71 1.69 1 130 VAL -2.36 -0.99 1 131 ASP -3.29 -1.27 1 132 VAL -2.88 -1.99 1 133 ARG -3.36 -3.14 1 134 THR -2.32 -2.40 1 135 VAL -6.28 -3.80 1 136 SER -0.92 0.23 1 137 ASP -3.60 -1.44 1 138 LYS 4.29 3.29 1 139 GLU 4.82 3.13 1 140 GLU 1.85 2.05 1 141 LEU 5.17 4.54 1 142 ILE 5.26 2.75 1 143 GLU 3.92 2.54 1 144 GLN 4.31 2.35 1 145 VAL 5.83 3.94 1 146 ARG 4.88 4.04 1 147 ARG 3.89 2.95 1 148 PHE 2.86 2.07 1 149 VAL 4.83 3.08 1 150 ARG 2.96 1.83 1 151 LYS 2.04 1.04 1 152 VAL 2.59 1.44 1 154 SER 0.03 -0.01 1 155 LEU 0.92 0.33 1 156 GLU -0.08 -0.03 1 157 HIS -0.12 0.73 1 158 HIS 1.00 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17390_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.28 _LACS_plot.Line_1_terminator_val_y_1 2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ASP 1.91 -3.64 0 10 SER -1.18 0.38 1 11 ASP -1.53 0.61 1 13 GLU 2.12 -0.76 1 14 ILE 1.24 -0.56 1 15 LEU 3.46 -0.54 1 16 LYS 5.32 -1.22 1 17 GLU 2.85 -0.50 1 18 ILE 5.39 -1.39 1 19 VAL 7.30 -1.86 1 20 ARG 4.17 -0.77 1 21 GLU 2.66 -0.79 1 22 ILE 5.00 -0.71 1 23 LYS 4.17 -2.05 1 24 ARG 3.72 -1.24 1 25 GLN 0.38 -1.03 1 27 VAL -2.34 0.49 1 28 ARG 0.82 -0.12 1 29 VAL -4.37 2.12 1 30 VAL -3.61 0.94 1 31 LEU -5.97 3.43 1 32 LEU 0.70 -2.22 1 33 TYR -2.34 0.95 1 34 SER -2.71 0.37 1 35 ASP -2.06 2.00 1 36 GLN 1.54 -0.64 1 37 ASP -0.87 -0.08 1 38 GLU 2.80 -0.25 1 39 LYS 3.83 -1.11 1 40 ARG 2.59 -0.36 1 41 ARG 3.23 -0.39 1 42 ARG 4.62 -1.43 1 43 GLU 3.00 -0.67 1 44 ARG 3.90 -1.45 1 45 LEU 4.81 -0.87 1 46 GLU 3.22 -0.59 1 47 GLU 3.02 -0.74 1 48 PHE 3.82 -1.98 1 49 GLU 4.07 -0.73 1 50 LYS 3.42 -1.08 1 51 GLN -0.53 0.19 1 53 VAL -0.28 -0.32 1 54 ASP 0.14 -1.46 1 55 VAL -2.34 0.15 1 56 ARG -3.12 0.22 1 57 THR 1.13 -1.24 1 58 VAL -4.61 1.57 1 59 GLU -0.30 1.12 1 60 ASP -2.60 0.83 1 61 LYS 4.31 -1.12 1 62 GLU 4.48 -1.53 1 63 ASP 1.44 0.55 1 64 PHE 3.99 -1.40 1 65 ARG 5.09 -1.07 1 66 GLU 3.44 -0.94 1 67 ASN 2.91 1.37 1 68 ILE 5.49 -1.97 1 69 ARG 4.37 -1.54 1 70 GLU 3.45 -0.91 1 71 ILE 7.01 -2.19 1 72 TRP -0.18 0.58 1 73 GLU 0.66 -0.11 1 74 ARG 1.23 0.25 1 75 TYR -0.23 -1.02 1 77 GLN 1.37 -1.38 1 78 LEU 4.26 -3.59 1 80 VAL -6.28 2.15 1 81 VAL -1.43 0.79 1 82 VAL -1.49 -0.61 1 83 ILE -3.04 1.04 1 84 VAL -2.56 0.07 1 85 THR 0.52 -2.30 1 86 THR -1.09 -1.33 1 87 ASP -2.18 -0.11 1 88 ASP -0.34 0.86 1 89 LYS 4.11 -0.95 1 90 GLU 3.34 -1.08 1 91 TRP 5.90 -2.69 1 92 ILE 6.55 -2.32 1 93 LYS 4.85 -1.05 1 94 ASP 4.19 -0.74 1 95 PHE 4.08 -0.07 1 96 ILE 5.63 -0.83 1 97 GLU 3.77 -0.64 1 98 GLU 2.91 -1.03 1 99 ALA 3.79 -1.15 1 100 LYS 4.50 -1.22 1 101 GLU 2.92 -1.00 1 102 ARG -0.63 -0.99 1 104 VAL -2.62 0.82 1 105 GLU -0.75 0.58 1 106 VAL -3.67 1.88 1 107 PHE -2.33 1.10 1 108 VAL -3.60 1.27 1 109 VAL -1.67 -0.05 1 110 TYR -4.17 1.76 1 111 ASN -4.73 2.27 1 112 ASN -2.57 2.73 1 113 LYS 2.11 -0.67 1 114 ASP -1.29 1.09 1 115 ASP 2.11 0.24 1 116 ASP 3.42 -1.07 1 117 ARG 2.46 -1.10 1 118 ARG 5.22 -1.22 1 119 LYS 3.71 -1.16 1 120 GLU 1.95 -0.34 1 121 ALA 3.01 -1.46 1 122 GLN 2.96 -0.70 1 123 GLN 1.73 -0.49 1 124 GLU 1.27 -0.18 1 125 PHE -0.13 -1.02 1 126 ARG 1.96 -0.82 1 127 SER -0.60 0.01 1 128 ASP 2.71 -1.02 1 130 VAL -2.36 1.37 1 131 ASP -3.29 2.02 1 132 VAL -2.88 0.89 1 133 ARG -3.36 0.22 1 134 THR -2.32 -0.08 1 135 VAL -6.28 2.48 1 136 SER -0.92 1.15 1 137 ASP -3.60 2.16 1 138 LYS 4.29 -1.00 1 139 GLU 4.82 -1.69 1 140 GLU 1.85 0.20 1 141 LEU 5.17 -0.63 1 142 ILE 5.26 -2.51 1 143 GLU 3.92 -1.38 1 144 GLN 4.31 -1.96 1 145 VAL 5.83 -1.89 1 146 ARG 4.88 -0.84 1 147 ARG 3.89 -0.94 1 148 PHE 2.86 -0.79 1 149 VAL 4.83 -1.75 1 150 ARG 2.96 -1.13 1 151 LYS 2.04 -1.00 1 152 VAL 2.59 -1.15 1 154 SER 0.03 -0.04 1 155 LEU 0.92 -0.59 1 156 GLU -0.08 0.05 1 157 HIS -0.12 0.85 1 158 HIS 1.00 1.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17390_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.28 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 LYS 4.31 -1.35 0 10 SER -1.18 -0.21 1 11 ASP -1.53 -0.08 1 13 GLU 2.12 -0.11 1 14 ILE 1.24 0.11 1 15 LEU 3.46 -0.46 1 16 LYS 5.32 -0.35 1 17 GLU 2.85 -0.25 1 18 ILE 5.39 -0.40 1 19 VAL 7.30 -0.82 1 20 ARG 4.17 -0.38 1 21 GLU 2.66 -0.29 1 22 ILE 5.00 -0.64 1 23 LYS 4.17 -0.12 1 24 ARG 3.72 -0.21 1 25 GLN 0.38 0.02 1 27 VAL -2.34 0.14 1 28 ARG 0.82 -0.08 1 29 VAL -4.37 0.73 1 30 VAL -3.61 0.79 1 31 LEU -5.97 0.69 1 32 LEU 0.70 0.57 1 33 TYR -2.34 0.19 1 34 SER -2.71 0.33 1 35 ASP -2.06 -0.17 1 36 GLN 1.54 -0.11 1 37 ASP -0.87 -0.02 1 38 GLU 2.80 -0.46 1 39 LYS 3.83 -0.25 1 40 ARG 2.59 -0.17 1 41 ARG 3.23 -0.16 1 42 ARG 4.62 -0.35 1 43 GLU 3.00 -0.28 1 44 ARG 3.90 -0.44 1 45 LEU 4.81 -0.35 1 46 GLU 3.22 -0.26 1 47 GLU 3.02 -0.40 1 48 PHE 3.82 -0.11 1 49 GLU 4.07 -0.03 1 50 LYS 3.42 -0.13 1 51 GLN -0.53 0.08 1 53 VAL -0.28 -0.23 1 54 ASP 0.14 0.09 1 55 VAL -2.34 0.80 1 56 ARG -3.12 0.55 1 57 THR 1.13 0.52 1 58 VAL -4.61 0.56 1 59 GLU -0.30 0.10 1 60 ASP -2.60 0.21 1 62 GLU 4.48 -0.32 1 63 ASP 1.44 -0.12 1 64 PHE 3.99 -0.42 1 65 ARG 5.09 -0.90 1 66 GLU 3.44 -0.46 1 67 ASN 2.91 -0.51 1 68 ILE 5.49 -1.04 1 69 ARG 4.37 -0.49 1 70 GLU 3.45 -0.35 1 71 ILE 7.01 -0.61 1 72 TRP -0.18 -0.04 1 73 GLU 0.66 -0.14 1 74 ARG 1.23 -0.42 1 75 TYR -0.23 0.30 1 77 GLN 1.37 0.06 1 78 LEU 4.26 -0.52 1 79 ASP 1.91 0.10 1 80 VAL -6.28 0.58 1 81 VAL -1.43 0.35 1 82 VAL -1.49 0.66 1 83 ILE -3.04 0.55 1 84 VAL -2.56 0.75 1 85 THR 0.52 0.63 1 86 THR -1.09 0.02 1 87 ASP -2.18 0.06 1 88 ASP -0.34 -0.30 1 89 LYS 4.11 -0.51 1 90 GLU 3.34 -0.21 1 91 TRP 5.90 -0.32 1 92 ILE 6.55 -0.98 1 93 LYS 4.85 -0.47 1 94 ASP 4.19 -0.23 1 95 PHE 4.08 -0.71 1 96 ILE 5.63 -0.66 1 97 GLU 3.77 -0.39 1 98 GLU 2.91 -0.39 1 99 ALA 3.79 -0.45 1 100 LYS 4.50 -0.35 1 101 GLU 2.92 -0.36 1 102 ARG -0.63 -0.25 1 104 VAL -2.62 0.00 1 105 GLU -0.75 0.16 1 106 VAL -3.67 0.78 1 107 PHE -2.33 0.43 1 108 VAL -3.60 0.75 1 109 VAL -1.67 0.87 1 110 TYR -4.17 0.57 1 111 ASN -4.73 0.62 1 112 ASN -2.57 -0.24 1 113 LYS 2.11 -0.12 1 114 ASP -1.29 0.04 1 115 ASP 2.11 -0.38 1 116 ASP 3.42 -0.19 1 117 ARG 2.46 -0.12 1 118 ARG 5.22 -0.22 1 119 LYS 3.71 -0.28 1 120 GLU 1.95 -0.31 1 121 ALA 3.01 -0.53 1 122 GLN 2.96 -0.43 1 123 GLN 1.73 -0.20 1 124 GLU 1.27 -0.39 1 125 PHE -0.13 0.13 1 126 ARG 1.96 0.01 1 127 SER -0.60 0.06 1 128 ASP 2.71 -0.11 1 130 VAL -2.36 0.59 1 131 ASP -3.29 0.28 1 132 VAL -2.88 0.61 1 133 ARG -3.36 0.53 1 134 THR -2.32 1.10 1 135 VAL -6.28 0.74 1 136 SER -0.92 0.07 1 137 ASP -3.60 0.11 1 138 LYS 4.29 -0.52 1 139 GLU 4.82 -0.35 1 140 GLU 1.85 -0.23 1 141 LEU 5.17 -0.49 1 142 ILE 5.26 -0.67 1 143 GLU 3.92 -0.24 1 144 GLN 4.31 -0.31 1 145 VAL 5.83 -0.81 1 146 ARG 4.88 -0.58 1 147 ARG 3.89 -0.41 1 148 PHE 2.86 -0.50 1 149 VAL 4.83 -0.66 1 150 ARG 2.96 -0.26 1 151 LYS 2.04 -0.19 1 152 VAL 2.59 -0.28 1 154 SER 0.03 -0.01 1 155 LEU 0.92 -0.05 1 156 GLU -0.08 -0.17 1 157 HIS -0.12 -0.16 1 158 HIS 1.00 -0.31 1 stop_ save_