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 bmr34352_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 6.52 _LACS_plot.Line_2_terminator_val_y_2 4.98 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 PHE -1.10 -2.71 0 125 TYR -2.32 1.97 0 110 HIS 1.00 4.09 0 14 ARG -1.47 -0.70 1 15 ILE -1.05 -1.37 1 16 HIS -3.35 0.22 1 17 THR -2.28 -0.98 1 18 ILE -4.44 -1.16 1 19 LYS -2.89 -1.44 1 20 ILE -5.11 -2.39 1 21 ASN -0.23 -0.02 1 23 ASP 2.81 2.07 1 24 LYS -1.46 -1.58 1 25 ILE 6.21 5.63 1 26 LYS 4.60 2.69 1 27 ASP 2.33 2.35 1 28 VAL 3.37 2.27 1 29 ILE 3.30 3.07 1 34 SER 3.42 3.13 1 35 VAL 6.23 4.12 1 36 ILE 4.07 2.75 1 37 ARG 4.68 3.89 1 38 ALA 3.84 2.61 1 39 LEU 2.48 3.17 1 40 THR 5.30 4.43 1 41 GLU 3.00 2.80 1 42 GLU 1.79 2.29 1 43 THR -1.40 0.18 1 45 THR -3.34 -1.59 1 46 THR -0.46 0.22 1 47 ILE -3.09 -0.40 1 48 GLU -5.42 -1.80 1 49 ILE -1.76 -0.45 1 50 GLU -3.26 -1.52 1 51 ASP 3.26 2.75 1 52 ASP 0.06 -1.03 1 54 THR 5.85 4.00 1 55 VAL -0.50 -0.88 1 56 LYS -2.09 -1.17 1 57 ILE -3.00 -0.68 1 58 ALA -2.66 -1.75 1 59 ALA -7.24 -1.83 1 60 THR 2.50 1.42 1 61 ASP -3.43 -0.89 1 63 GLU 3.37 2.47 1 64 LYS 3.94 3.12 1 65 ALA 5.04 2.89 1 66 LYS 4.33 3.42 1 67 HIS 0.88 3.20 1 68 ALA 4.44 3.56 1 69 ILE 5.91 5.48 1 70 ARG 4.49 3.36 1 71 ARG 3.59 1.80 1 72 ILE 6.53 5.18 1 73 GLU 4.06 3.44 1 74 GLU 2.83 2.87 1 75 ILE 3.30 3.56 1 76 THR 0.69 0.67 1 77 ALA 0.36 0.47 1 78 GLU -1.87 -0.86 1 79 ILE 0.22 -1.20 1 80 GLU -4.40 -1.83 1 81 VAL 4.24 2.77 1 83 ARG -1.25 -0.54 1 84 VAL -0.82 -1.06 1 85 TYR -5.23 -1.36 1 86 THR 2.39 1.40 1 88 LYS -4.94 -1.98 1 89 VAL 2.82 1.93 1 90 THR 0.75 0.39 1 91 ARG -1.91 0.91 1 92 ILE 0.03 0.71 1 93 VAL -4.98 -2.89 1 94 ASP 3.86 3.36 1 97 ALA -6.44 -2.65 1 98 PHE -0.61 0.09 1 99 VAL -4.92 -1.95 1 100 ALA -2.11 -1.12 1 101 ILE -1.58 -0.55 1 105 LYS -1.04 -0.84 1 106 GLU -5.29 -1.54 1 108 LEU -3.89 -1.26 1 109 VAL -1.57 -2.16 1 111 ILE 3.19 3.49 1 112 SER 2.23 2.26 1 113 GLN -0.50 -1.14 1 114 ILE 3.72 3.50 1 115 ALA -4.55 -1.69 1 116 ASP 1.19 0.59 1 117 LYS -2.38 -1.46 1 118 ARG 2.08 1.16 1 119 VAL -0.35 -0.22 1 120 GLU 0.48 1.21 1 121 LYS -3.30 -1.53 1 122 VAL 6.41 5.12 1 123 THR 2.38 1.23 1 124 ASP 2.78 2.20 1 126 LEU -6.29 -2.06 1 127 GLN -6.01 -2.64 1 128 MET 2.79 1.83 1 130 GLN -0.24 0.94 1 131 GLU -2.01 -1.18 1 132 VAL -4.77 -2.64 1 134 VAL -7.68 -4.27 1 135 LYS -5.61 -2.37 1 136 VAL 2.71 1.00 1 137 LEU 0.09 0.81 1 138 GLU -3.92 -0.69 1 139 VAL -0.50 -0.18 1 140 ASP -1.68 -1.03 1 141 ARG 3.67 2.37 1 142 GLN 0.61 0.11 1 144 ARG 1.86 0.47 1 145 ILE -0.87 0.36 1 146 ARG -2.30 -0.64 1 147 LEU -7.61 -2.17 1 148 SER -3.11 -1.11 1 149 ILE 1.76 2.44 1 150 LYS 3.72 2.64 1 151 GLU 0.18 0.44 1 152 ALA -0.17 0.15 1 153 THR 0.02 0.11 1 154 GLU 1.52 2.61 1 163 GLU -0.93 -0.28 1 164 ALA -1.29 -2.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34352_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 4.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 6.52 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 PHE -1.10 -1.61 0 125 TYR -2.32 4.29 0 110 HIS 1.00 3.09 0 14 ARG -1.47 0.77 1 15 ILE -1.05 -0.32 1 16 HIS -3.35 3.57 1 17 THR -2.28 1.30 1 18 ILE -4.44 3.28 1 19 LYS -2.89 1.45 1 20 ILE -5.11 2.72 1 21 ASN -0.23 0.21 1 23 ASP 2.81 -0.74 1 24 LYS -1.46 -0.12 1 25 ILE 6.21 -0.58 1 26 LYS 4.60 -1.91 1 27 ASP 2.33 0.02 1 28 VAL 3.37 -1.10 1 29 ILE 3.30 -0.23 1 34 SER 3.42 -0.29 1 35 VAL 6.23 -2.11 1 36 ILE 4.07 -1.32 1 37 ARG 4.68 -0.79 1 38 ALA 3.84 -1.23 1 39 LEU 2.48 0.69 1 40 THR 5.30 -0.87 1 41 GLU 3.00 -0.20 1 42 GLU 1.79 0.50 1 43 THR -1.40 1.58 1 45 THR -3.34 1.75 1 46 THR -0.46 0.68 1 47 ILE -3.09 2.69 1 48 GLU -5.42 3.62 1 49 ILE -1.76 1.31 1 50 GLU -3.26 1.74 1 51 ASP 3.26 -0.51 1 52 ASP 0.06 -1.09 1 54 THR 5.85 -1.85 1 55 VAL -0.50 -0.38 1 56 LYS -2.09 0.92 1 57 ILE -3.00 2.32 1 58 ALA -2.66 0.91 1 59 ALA -7.24 5.41 1 60 THR 2.50 -1.08 1 61 ASP -3.43 2.54 1 63 GLU 3.37 -0.90 1 64 LYS 3.94 -0.82 1 65 ALA 5.04 -2.15 1 66 LYS 4.33 -0.91 1 67 HIS 0.88 2.32 1 68 ALA 4.44 -0.88 1 69 ILE 5.91 -0.43 1 70 ARG 4.49 -1.13 1 71 ARG 3.59 -1.79 1 72 ILE 6.53 -1.35 1 73 GLU 4.06 -0.62 1 74 GLU 2.83 0.04 1 75 ILE 3.30 0.26 1 76 THR 0.69 -0.02 1 77 ALA 0.36 0.11 1 78 GLU -1.87 1.01 1 79 ILE 0.22 -1.42 1 80 GLU -4.40 2.57 1 81 VAL 4.24 -1.47 1 83 ARG -1.25 0.71 1 84 VAL -0.82 -0.24 1 85 TYR -5.23 3.87 1 86 THR 2.39 -0.99 1 88 LYS -4.94 2.96 1 89 VAL 2.82 -0.89 1 90 THR 0.75 -0.36 1 91 ARG -1.91 2.82 1 92 ILE 0.03 0.68 1 93 VAL -4.98 2.09 1 94 ASP 3.86 -0.50 1 97 ALA -6.44 3.79 1 98 PHE -0.61 0.70 1 99 VAL -4.92 2.97 1 100 ALA -2.11 0.99 1 101 ILE -1.58 1.03 1 105 LYS -1.04 0.20 1 106 GLU -5.29 3.75 1 108 LEU -3.89 2.63 1 109 VAL -1.57 -0.59 1 111 ILE 3.19 0.30 1 112 SER 2.23 0.03 1 113 GLN -0.50 -0.64 1 114 ILE 3.72 -0.22 1 115 ALA -4.55 2.86 1 116 ASP 1.19 -0.60 1 117 LYS -2.38 0.92 1 118 ARG 2.08 -0.92 1 119 VAL -0.35 0.13 1 120 GLU 0.48 0.73 1 121 LYS -3.30 1.77 1 122 VAL 6.41 -1.29 1 123 THR 2.38 -1.15 1 124 ASP 2.78 -0.58 1 126 LEU -6.29 4.23 1 127 GLN -6.01 3.37 1 128 MET 2.79 -0.96 1 130 GLN -0.24 1.18 1 131 GLU -2.01 0.83 1 132 VAL -4.77 2.13 1 134 VAL -7.68 3.41 1 135 LYS -5.61 3.24 1 136 VAL 2.71 -1.71 1 137 LEU 0.09 0.72 1 138 GLU -3.92 3.23 1 139 VAL -0.50 0.32 1 140 ASP -1.68 0.65 1 141 ARG 3.67 -1.30 1 142 GLN 0.61 -0.50 1 144 ARG 1.86 -1.39 1 145 ILE -0.87 1.23 1 146 ARG -2.30 1.66 1 147 LEU -7.61 5.44 1 148 SER -3.11 2.00 1 149 ILE 1.76 0.68 1 150 LYS 3.72 -1.08 1 151 GLU 0.18 0.26 1 152 ALA -0.17 0.32 1 153 THR 0.02 0.09 1 154 GLU 1.52 1.09 1 163 GLU -0.93 0.65 1 164 ALA -1.29 -0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34352_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 6.52 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 THR -2.28 1.37 0 15 ILE -1.05 0.60 1 16 HIS -3.35 -0.01 1 18 ILE -4.44 0.52 1 19 LYS -2.89 0.86 1 20 ILE -5.11 0.56 1 21 ASN -0.23 -0.25 1 23 ASP 2.81 -0.08 1 24 LYS -1.46 0.34 1 25 ILE 6.21 -0.73 1 26 LYS 4.60 -0.19 1 27 ASP 2.33 -0.12 1 28 VAL 3.37 -0.41 1 29 ILE 3.30 -0.34 1 34 SER 3.42 -0.45 1 35 VAL 6.23 -0.19 1 36 ILE 4.07 0.00 1 37 ARG 4.68 -0.17 1 38 ALA 3.84 -0.01 1 39 LEU 2.48 -0.16 1 40 THR 5.30 -0.38 1 41 GLU 3.00 -0.17 1 42 GLU 1.79 -0.17 1 43 THR -1.40 0.07 1 45 THR -3.34 0.49 1 46 THR -0.46 0.30 1 47 ILE -3.09 0.82 1 48 GLU -5.42 0.34 1 49 ILE -1.76 0.70 1 50 GLU -3.26 0.38 1 51 ASP 3.26 -0.31 1 52 ASP 0.06 -0.07 1 54 THR 5.85 -0.14 1 55 VAL -0.50 0.50 1 56 LYS -2.09 0.59 1 57 ILE -3.00 0.57 1 58 ALA -2.66 1.02 1 59 ALA -7.24 0.78 1 60 THR 2.50 -0.02 1 61 ASP -3.43 0.22 1 63 GLU 3.37 -0.22 1 64 LYS 3.94 -0.02 1 65 ALA 5.04 -0.52 1 66 LYS 4.33 -0.49 1 67 HIS 0.88 -0.24 1 68 ALA 4.44 -0.44 1 69 ILE 5.91 -0.82 1 70 ARG 4.49 -0.15 1 71 ARG 3.59 -0.17 1 72 ILE 6.53 -0.58 1 73 GLU 4.06 -0.47 1 74 GLU 2.83 -0.23 1 75 ILE 3.30 -0.29 1 76 THR 0.69 -0.07 1 77 ALA 0.36 0.00 1 78 GLU -1.87 0.05 1 79 ILE 0.22 -0.04 1 80 GLU -4.40 0.29 1 81 VAL 4.24 -0.67 1 83 ARG -1.25 0.08 1 84 VAL -0.82 0.88 1 85 TYR -5.23 0.20 1 86 THR 2.39 0.30 1 88 LYS -4.94 1.03 1 89 VAL 2.82 0.17 1 90 THR 0.75 0.16 1 91 ARG -1.91 0.26 1 92 ILE 0.03 0.24 1 93 VAL -4.98 0.69 1 94 ASP 3.86 -0.25 1 95 PHE -1.10 0.12 1 97 ALA -6.44 0.75 1 98 PHE -0.61 0.69 1 99 VAL -4.92 0.67 1 100 ALA -2.11 0.67 1 101 ILE -1.58 0.43 1 105 LYS -1.04 0.22 1 106 GLU -5.29 0.95 1 108 LEU -3.89 0.19 1 109 VAL -1.57 0.35 1 110 HIS 1.00 -0.14 1 111 ILE 3.19 -0.36 1 112 SER 2.23 0.00 1 113 GLN -0.50 0.18 1 114 ILE 3.72 -0.32 1 115 ALA -4.55 0.14 1 116 ASP 1.19 -0.07 1 117 LYS -2.38 0.11 1 118 ARG 2.08 -0.19 1 119 VAL -0.35 -0.05 1 120 GLU 0.48 0.01 1 121 LYS -3.30 0.43 1 122 VAL 6.41 -0.70 1 123 THR 2.38 0.45 1 125 TYR -2.32 0.01 1 126 LEU -6.29 0.91 1 127 GLN -6.01 0.30 1 128 MET 2.79 -0.59 1 130 GLN -0.24 -0.14 1 131 GLU -2.01 1.07 1 132 VAL -4.77 0.58 1 134 VAL -7.68 0.92 1 135 LYS -5.61 0.85 1 136 VAL 2.71 -0.02 1 137 LEU 0.09 0.10 1 138 GLU -3.92 0.08 1 139 VAL -0.50 0.64 1 141 ARG 3.67 -0.14 1 142 GLN 0.61 0.17 1 144 ARG 1.86 0.09 1 145 ILE -0.87 0.47 1 146 ARG -2.30 0.68 1 147 LEU -7.61 1.16 1 148 SER -3.11 0.56 1 149 ILE 1.76 0.64 1 150 LYS 3.72 -0.19 1 151 GLU 0.18 0.04 1 152 ALA -0.17 0.00 1 153 THR 0.02 -0.03 1 154 GLU 1.52 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34352_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _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 6.52 _LACS_plot.Line_2_terminator_val_y_2 1.91 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 THR 5.85 -1.94 0 114 ILE 3.72 -3.21 0 14 ARG -1.47 -1.28 1 15 ILE -1.05 -0.34 1 16 HIS -3.35 0.49 1 17 THR -2.28 -0.11 1 18 ILE -4.44 -3.29 1 19 LYS -2.89 -0.24 1 20 ILE -5.11 -1.62 1 23 ASP 2.81 0.85 1 24 LYS -1.46 1.05 1 25 ILE 6.21 1.75 1 26 LYS 4.60 1.68 1 27 ASP 2.33 -0.10 1 28 VAL 3.37 -1.99 1 29 ILE 3.30 3.15 1 34 SER 3.42 -0.65 1 35 VAL 6.23 1.98 1 36 ILE 4.07 1.50 1 37 ARG 4.68 1.86 1 38 ALA 3.84 2.44 1 39 LEU 2.48 3.49 1 40 THR 5.30 2.35 1 41 GLU 3.00 2.46 1 42 GLU 1.79 1.77 1 43 THR -1.40 0.95 1 46 THR -0.46 -1.03 1 47 ILE -3.09 -2.08 1 48 GLU -5.42 -2.24 1 49 ILE -1.76 -0.37 1 50 GLU -3.26 1.15 1 51 ASP 3.26 -0.22 1 52 ASP 0.06 0.71 1 55 VAL -0.50 -1.86 1 56 LYS -2.09 -1.06 1 57 ILE -3.00 -2.00 1 58 ALA -2.66 -1.18 1 60 THR 2.50 -0.80 1 63 GLU 3.37 3.27 1 64 LYS 3.94 2.37 1 65 ALA 5.04 0.77 1 66 LYS 4.33 2.31 1 67 HIS 0.88 3.02 1 68 ALA 4.44 0.87 1 69 ILE 5.91 0.88 1 70 ARG 4.49 3.20 1 71 ARG 3.59 1.53 1 72 ILE 6.53 2.77 1 73 GLU 4.06 2.12 1 74 GLU 2.83 2.87 1 75 ILE 3.30 1.39 1 76 THR 0.69 -0.62 1 77 ALA 0.36 0.04 1 78 GLU -1.87 -0.25 1 79 ILE 0.22 -1.63 1 80 GLU -4.40 -1.10 1 81 VAL 4.24 0.91 1 83 ARG -1.25 2.29 1 84 VAL -0.82 -0.89 1 85 TYR -5.23 -0.87 1 86 THR 2.39 -0.26 1 88 LYS -4.94 -0.37 1 89 VAL 2.82 1.29 1 90 THR 0.75 0.76 1 91 ARG -1.91 -2.46 1 92 ILE 0.03 -1.39 1 93 VAL -4.98 -0.02 1 94 ASP 3.86 0.95 1 95 PHE -1.10 -1.46 1 97 ALA -6.44 -2.59 1 98 PHE -0.61 0.00 1 99 VAL -4.92 -1.88 1 100 ALA -2.11 0.47 1 101 ILE -1.58 -1.01 1 105 LYS -1.04 -1.08 1 106 GLU -5.29 -0.88 1 108 LEU -3.89 -1.28 1 109 VAL -1.57 -1.91 1 110 HIS 1.00 2.57 1 112 SER 2.23 0.80 1 113 GLN -0.50 0.31 1 116 ASP 1.19 -0.37 1 118 ARG 2.08 -0.37 1 119 VAL -0.35 -1.20 1 120 GLU 0.48 0.00 1 121 LYS -3.30 0.31 1 122 VAL 6.41 1.77 1 123 THR 2.38 0.60 1 124 ASP 2.78 -0.09 1 125 TYR -2.32 -1.33 1 126 LEU -6.29 -2.85 1 127 GLN -6.01 -0.49 1 128 MET 2.79 1.22 1 130 GLN -0.24 -0.74 1 131 GLU -2.01 0.25 1 134 VAL -7.68 -2.54 1 135 LYS -5.61 0.19 1 136 VAL 2.71 -0.37 1 137 LEU 0.09 -0.61 1 138 GLU -3.92 -3.12 1 139 VAL -0.50 -0.23 1 141 ARG 3.67 1.14 1 142 GLN 0.61 0.08 1 144 ARG 1.86 0.07 1 145 ILE -0.87 -0.78 1 146 ARG -2.30 -0.78 1 147 LEU -7.61 -1.08 1 148 SER -3.11 1.10 1 149 ILE 1.76 -2.00 1 150 LYS 3.72 0.90 1 151 GLU 0.18 -0.29 1 152 ALA -0.17 -0.83 1 153 THR 0.02 -0.17 1 163 GLU -0.93 -0.76 1 stop_ save_