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 bmr26753_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 8.16 _LACS_plot.Line_2_terminator_val_y_2 6.37 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ALA -0.56 4.95 0 10 ASP -2.44 -1.89 1 11 ILE 3.56 3.10 1 12 ALA 2.46 1.58 1 13 THR -0.77 -0.82 1 14 ALA 1.67 1.48 1 15 THR 0.69 0.02 1 16 GLU 2.30 2.65 1 18 VAL -3.35 -2.61 1 19 ILE -4.96 -1.66 1 20 ILE -1.45 -1.98 1 21 ASN -4.90 -2.75 1 23 ALA -3.78 -1.35 1 24 ASN -5.99 -1.65 1 25 SER 1.89 1.69 1 26 LYS 0.32 -0.20 1 28 GLN -2.14 -2.84 1 33 VAL 7.08 5.95 1 36 ALA 3.03 2.38 1 37 LEU 8.16 2.17 1 38 TYR 4.97 3.56 1 39 LYS 2.73 2.06 1 40 LYS -0.61 0.63 1 41 PHE -2.22 -1.75 1 43 GLU 4.18 1.66 1 44 SER 1.15 0.40 1 45 PHE -0.45 -0.19 1 46 ASP -0.79 -1.16 1 47 LEU 4.82 0.38 1 48 GLN -1.14 -1.36 1 50 ILE -3.71 -0.12 1 51 GLU -0.10 0.01 1 52 VAL 4.54 2.28 1 54 LYS -3.21 -3.00 1 55 ALA -6.47 -2.30 1 56 ARG -3.71 -0.20 1 57 LEU -2.16 -0.74 1 58 VAL -0.64 0.04 1 59 LYS 1.32 -0.49 1 61 ALA 2.47 2.17 1 62 ALA -0.91 0.19 1 63 LYS -3.69 -2.90 1 64 HIS -2.67 -0.43 1 65 ILE -4.72 -2.67 1 66 ILE -1.05 -0.85 1 67 HIS -1.85 0.88 1 68 ALA -6.86 -2.42 1 69 VAL 0.02 -1.58 1 72 ASN -0.22 -2.70 1 73 PHE 6.35 4.23 1 74 ASN 2.17 2.80 1 75 LYS -2.58 -0.25 1 76 VAL -4.49 -2.51 1 77 SER -1.88 -0.82 1 78 GLU 4.45 3.28 1 79 VAL 4.83 3.77 1 80 GLU 2.61 2.25 1 82 ASP 4.06 5.28 1 83 LYS 3.68 2.87 1 84 GLN 3.90 2.90 1 85 LEU 2.55 2.10 1 86 ALA 4.47 3.22 1 87 GLU 3.60 2.83 1 88 ALA 4.65 2.93 1 89 TYR 4.69 4.62 1 90 GLU 4.54 3.70 1 91 SER 5.39 3.78 1 92 ILE 5.33 4.86 1 93 ALA 3.85 3.23 1 94 LYS 4.20 3.38 1 95 ILE 4.75 4.44 1 96 VAL 6.96 5.61 1 97 ASN 3.54 2.75 1 98 ASP 3.68 2.87 1 99 ASN -1.26 0.23 1 100 ASN 2.55 1.13 1 101 TYR 0.85 0.82 1 102 LYS -0.52 -0.79 1 103 SER -2.44 -1.47 1 104 VAL -6.40 -2.62 1 105 ALA -4.42 -2.06 1 106 ILE -8.58 -1.79 1 108 LEU -0.58 -1.61 1 109 LEU 1.48 1.64 1 110 SER 6.99 3.23 1 111 THR -2.22 -1.20 1 113 ILE 6.60 4.58 1 114 PHE -2.03 -4.37 1 115 SER 1.55 3.48 1 117 ASN 2.89 0.96 1 118 LYS -4.42 -1.65 1 119 ASP 0.74 0.22 1 120 ARG -0.83 -1.48 1 121 LEU 7.43 5.96 1 122 THR 6.18 5.02 1 123 GLN 3.51 2.33 1 124 SER 2.26 3.52 1 125 LEU 2.96 2.48 1 126 ASN 5.02 3.35 1 127 HIS 0.63 3.47 1 128 LEU 5.08 4.78 1 129 LEU 3.10 1.89 1 130 THR 5.77 4.91 1 131 ALA 1.11 1.66 1 132 LEU 5.16 0.92 1 133 ASP 2.68 2.14 1 134 THR 0.73 0.64 1 135 THR -3.69 -1.43 1 136 ASP -2.98 -2.42 1 137 ALA -0.25 -0.20 1 138 ASP -0.13 -0.14 1 139 VAL -0.22 -0.34 1 140 ALA -4.16 -3.03 1 141 ILE -0.81 -0.33 1 142 TYR -4.53 -0.17 1 144 ARG -1.03 -0.12 1 145 ASP -3.79 -0.81 1 146 LYS 3.90 3.68 1 147 LYS 4.85 3.37 1 148 TRP 3.92 2.68 1 149 GLU 3.44 3.55 1 150 MET 4.18 3.01 1 151 THR 5.93 4.22 1 152 LEU 2.09 3.14 1 153 LYS 5.49 4.71 1 154 GLU 3.03 2.52 1 155 ALA 3.21 2.48 1 156 VAL 4.96 3.61 1 157 ALA 2.90 2.17 1 158 ARG 2.22 1.44 1 159 ARG 1.64 0.88 1 160 GLU 0.26 0.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26753_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 5.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 8.16 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ALA -0.56 5.51 0 10 ASP -2.44 0.55 1 11 ILE 3.56 -0.46 1 12 ALA 2.46 -0.88 1 13 THR -0.77 -0.05 1 14 ALA 1.67 -0.19 1 15 THR 0.69 -0.67 1 16 GLU 2.30 0.35 1 18 VAL -3.35 0.74 1 19 ILE -4.96 3.30 1 20 ILE -1.45 -0.53 1 21 ASN -4.90 2.15 1 23 ALA -3.78 2.43 1 24 ASN -5.99 4.34 1 25 SER 1.89 -0.20 1 26 LYS 0.32 -0.52 1 28 GLN -2.14 -0.70 1 33 VAL 7.08 -1.13 1 36 ALA 3.03 -0.65 1 37 LEU 8.16 -5.99 1 38 TYR 4.97 -1.41 1 39 LYS 2.73 -0.67 1 40 LYS -0.61 1.24 1 41 PHE -2.22 0.47 1 43 GLU 4.18 -2.52 1 44 SER 1.15 -0.75 1 45 PHE -0.45 0.26 1 46 ASP -0.79 -0.37 1 47 LEU 4.82 -4.44 1 48 GLN -1.14 -0.22 1 50 ILE -3.71 3.59 1 51 GLU -0.10 0.11 1 52 VAL 4.54 -2.26 1 54 LYS -3.21 0.21 1 55 ALA -6.47 4.17 1 56 ARG -3.71 3.51 1 57 LEU -2.16 1.42 1 58 VAL -0.64 0.68 1 59 LYS 1.32 -1.81 1 61 ALA 2.47 -0.30 1 62 ALA -0.91 1.10 1 63 LYS -3.69 0.79 1 64 HIS -2.67 2.24 1 65 ILE -4.72 2.05 1 66 ILE -1.05 0.20 1 67 HIS -1.85 2.73 1 68 ALA -6.86 4.44 1 69 VAL 0.02 -1.60 1 72 ASN -0.22 -2.48 1 73 PHE 6.35 -2.12 1 74 ASN 2.17 0.63 1 75 LYS -2.58 2.33 1 76 VAL -4.49 1.98 1 77 SER -1.88 1.06 1 78 GLU 4.45 -1.17 1 79 VAL 4.83 -1.06 1 80 GLU 2.61 -0.36 1 82 ASP 4.06 1.22 1 83 LYS 3.68 -0.81 1 84 GLN 3.90 -1.00 1 85 LEU 2.55 -0.45 1 86 ALA 4.47 -1.25 1 87 GLU 3.60 -0.77 1 88 ALA 4.65 -1.72 1 89 TYR 4.69 -0.07 1 90 GLU 4.54 -0.84 1 91 SER 5.39 -1.61 1 92 ILE 5.33 -0.47 1 93 ALA 3.85 -0.62 1 94 LYS 4.20 -0.82 1 95 ILE 4.75 -0.31 1 96 VAL 6.96 -1.35 1 97 ASN 3.54 -0.79 1 98 ASP 3.68 -0.81 1 99 ASN -1.26 1.49 1 100 ASN 2.55 -1.42 1 101 TYR 0.85 -0.03 1 102 LYS -0.52 -0.27 1 103 SER -2.44 0.97 1 104 VAL -6.40 3.78 1 105 ALA -4.42 2.36 1 106 ILE -8.58 6.79 1 108 LEU -0.58 -1.03 1 109 LEU 1.48 0.16 1 110 SER 6.99 -3.76 1 111 THR -2.22 1.02 1 113 ILE 6.60 -2.02 1 114 PHE -2.03 -2.34 1 115 SER 1.55 1.93 1 117 ASN 2.89 -1.93 1 118 LYS -4.42 2.77 1 119 ASP 0.74 -0.52 1 120 ARG -0.83 -0.65 1 121 LEU 7.43 -1.47 1 122 THR 6.18 -1.16 1 123 GLN 3.51 -1.18 1 124 SER 2.26 1.26 1 125 LEU 2.96 -0.48 1 126 ASN 5.02 -1.67 1 127 HIS 0.63 2.84 1 128 LEU 5.08 -0.30 1 129 LEU 3.10 -1.21 1 130 THR 5.77 -0.86 1 131 ALA 1.11 0.55 1 132 LEU 5.16 -4.24 1 133 ASP 2.68 -0.54 1 134 THR 0.73 -0.09 1 135 THR -3.69 2.26 1 136 ASP -2.98 0.56 1 137 ALA -0.25 0.05 1 138 ASP -0.13 -0.01 1 139 VAL -0.22 -0.12 1 140 ALA -4.16 1.13 1 141 ILE -0.81 0.48 1 142 TYR -4.53 4.36 1 144 ARG -1.03 0.91 1 145 ASP -3.79 2.98 1 146 LYS 3.90 -0.22 1 147 LYS 4.85 -1.48 1 148 TRP 3.92 -1.24 1 149 GLU 3.44 0.11 1 150 MET 4.18 -1.17 1 151 THR 5.93 -1.71 1 152 LEU 2.09 1.05 1 153 LYS 5.49 -0.78 1 154 GLU 3.03 -0.51 1 155 ALA 3.21 -0.73 1 156 VAL 4.96 -1.35 1 157 ALA 2.90 -0.73 1 158 ARG 2.22 -0.78 1 159 ARG 1.64 -0.76 1 160 GLU 0.26 0.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26753_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.16 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 105 ALA -4.42 1.44 0 128 LEU 5.08 -1.58 0 10 ASP -2.44 0.55 1 11 ILE 3.56 -1.10 1 12 ALA 2.46 -0.23 1 13 THR -0.77 0.05 1 14 ALA 1.67 0.03 1 15 THR 0.69 -0.15 1 16 GLU 2.30 -0.43 1 18 VAL -3.35 0.53 1 19 ILE -4.96 0.51 1 20 ILE -1.45 0.68 1 21 ASN -4.90 -0.22 1 22 ALA -0.56 0.21 1 23 ALA -3.78 0.09 1 24 ASN -5.99 0.59 1 25 SER 1.89 0.49 1 26 LYS 0.32 0.05 1 28 GLN -2.14 0.03 1 33 VAL 7.08 -0.37 1 36 ALA 3.03 -0.15 1 37 LEU 8.16 -0.12 1 38 TYR 4.97 -1.19 1 39 LYS 2.73 -0.59 1 40 LYS -0.61 -0.37 1 41 PHE -2.22 0.47 1 43 GLU 4.18 0.18 1 44 SER 1.15 0.23 1 45 PHE -0.45 -0.20 1 46 ASP -0.79 0.07 1 47 LEU 4.82 -0.28 1 48 GLN -1.14 0.04 1 50 ILE -3.71 -0.25 1 51 GLU -0.10 -0.28 1 52 VAL 4.54 -0.70 1 54 LYS -3.21 0.36 1 55 ALA -6.47 1.37 1 56 ARG -3.71 0.21 1 57 LEU -2.16 0.48 1 58 VAL -0.64 0.04 1 59 LYS 1.32 -0.38 1 61 ALA 2.47 -0.32 1 62 ALA -0.91 0.22 1 63 LYS -3.69 -0.09 1 64 HIS -2.67 0.48 1 65 ILE -4.72 1.01 1 66 ILE -1.05 0.06 1 67 HIS -1.85 -0.42 1 68 ALA -6.86 0.85 1 69 VAL 0.02 0.19 1 72 ASN -0.22 -0.46 1 73 PHE 6.35 -0.37 1 74 ASN 2.17 -0.11 1 75 LYS -2.58 0.20 1 76 VAL -4.49 0.43 1 77 SER -1.88 0.04 1 78 GLU 4.45 -0.12 1 79 VAL 4.83 -0.20 1 80 GLU 2.61 -0.34 1 82 ASP 4.06 -0.11 1 83 LYS 3.68 -0.25 1 84 GLN 3.90 -0.30 1 85 LEU 2.55 -0.42 1 86 ALA 4.47 -0.49 1 87 GLU 3.60 -0.47 1 88 ALA 4.65 -0.59 1 89 TYR 4.69 -0.22 1 90 GLU 4.54 -0.37 1 91 SER 5.39 -0.22 1 92 ILE 5.33 -0.83 1 93 ALA 3.85 -0.65 1 94 LYS 4.20 -0.23 1 95 ILE 4.75 -0.35 1 96 VAL 6.96 -0.35 1 97 ASN 3.54 -0.14 1 98 ASP 3.68 -0.29 1 99 ASN -1.26 -0.25 1 100 ASN 2.55 -0.32 1 101 TYR 0.85 0.05 1 102 LYS -0.52 0.09 1 103 SER -2.44 0.99 1 104 VAL -6.40 0.62 1 106 ILE -8.58 0.74 1 108 LEU -0.58 0.51 1 109 LEU 1.48 -0.49 1 110 SER 6.99 0.02 1 111 THR -2.22 0.61 1 113 ILE 6.60 -0.35 1 114 PHE -2.03 0.62 1 115 SER 1.55 0.08 1 117 ASN 2.89 -0.37 1 118 LYS -4.42 0.23 1 119 ASP 0.74 -0.09 1 120 ARG -0.83 0.56 1 121 LEU 7.43 -0.88 1 122 THR 6.18 -0.90 1 123 GLN 3.51 -0.45 1 124 SER 2.26 -0.07 1 125 LEU 2.96 -0.49 1 126 ASN 5.02 -0.48 1 127 HIS 0.63 0.09 1 129 LEU 3.10 -0.48 1 130 THR 5.77 -0.59 1 131 ALA 1.11 0.06 1 132 LEU 5.16 -0.13 1 133 ASP 2.68 0.10 1 134 THR 0.73 0.16 1 135 THR -3.69 0.89 1 136 ASP -2.98 0.07 1 137 ALA -0.25 -0.22 1 138 ASP -0.13 0.31 1 139 VAL -0.22 0.28 1 140 ALA -4.16 -0.12 1 141 ILE -0.81 0.68 1 142 TYR -4.53 1.02 1 144 ARG -1.03 0.13 1 145 ASP -3.79 0.06 1 146 LYS 3.90 -0.26 1 147 LYS 4.85 -0.10 1 148 TRP 3.92 -0.32 1 149 GLU 3.44 -0.45 1 150 MET 4.18 -0.26 1 151 THR 5.93 -0.44 1 152 LEU 2.09 -0.52 1 153 LYS 5.49 -0.55 1 154 GLU 3.03 -0.32 1 155 ALA 3.21 -0.34 1 156 VAL 4.96 -0.60 1 157 ALA 2.90 -0.09 1 158 ARG 2.22 -0.15 1 159 ARG 1.64 -0.20 1 160 GLU 0.26 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26753_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 -3.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 8.16 _LACS_plot.Line_2_terminator_val_y_2 2.96 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 SER 1.15 -3.44 0 106 ILE -8.58 -3.85 0 47 LEU 4.82 -2.03 0 10 ASP -2.44 2.19 1 11 ILE 3.56 -1.70 1 12 ALA 2.46 0.47 1 13 THR -0.77 0.00 1 14 ALA 1.67 0.94 1 15 THR 0.69 0.55 1 16 GLU 2.30 -0.30 1 18 VAL -3.35 -3.93 1 19 ILE -4.96 -2.56 1 20 ILE -1.45 -3.99 1 21 ASN -4.90 -0.62 1 23 ALA -3.78 -2.15 1 25 SER 1.89 1.99 1 26 LYS 0.32 0.76 1 28 GLN -2.14 -1.32 1 36 ALA 3.03 3.36 1 37 LEU 8.16 0.75 1 38 TYR 4.97 0.27 1 39 LYS 2.73 0.82 1 40 LYS -0.61 -0.72 1 41 PHE -2.22 -0.78 1 43 GLU 4.18 1.21 1 45 PHE -0.45 -1.56 1 46 ASP -0.79 0.12 1 48 GLN -1.14 -0.91 1 50 ILE -3.71 -2.01 1 51 GLU -0.10 -1.01 1 52 VAL 4.54 1.11 1 54 LYS -3.21 -3.25 1 55 ALA -6.47 -1.23 1 56 ARG -3.71 -2.02 1 57 LEU -2.16 -2.20 1 58 VAL -0.64 -1.19 1 59 LYS 1.32 -0.51 1 61 ALA 2.47 0.58 1 62 ALA -0.91 -0.38 1 63 LYS -3.69 -1.14 1 64 HIS -2.67 -0.41 1 65 ILE -4.72 -1.16 1 66 ILE -1.05 -2.56 1 67 HIS -1.85 -1.18 1 68 ALA -6.86 -3.97 1 69 VAL 0.02 0.01 1 72 ASN -0.22 2.09 1 73 PHE 6.35 0.11 1 74 ASN 2.17 0.51 1 75 LYS -2.58 -0.99 1 76 VAL -4.49 -1.96 1 77 SER -1.88 0.37 1 78 GLU 4.45 3.75 1 79 VAL 4.83 2.06 1 80 GLU 2.61 2.76 1 82 ASP 4.06 0.99 1 83 LYS 3.68 2.62 1 84 GLN 3.90 1.50 1 85 LEU 2.55 -0.28 1 86 ALA 4.47 3.01 1 87 GLU 3.60 1.90 1 88 ALA 4.65 2.43 1 89 TYR 4.69 2.63 1 90 GLU 4.54 3.37 1 91 SER 5.39 2.55 1 92 ILE 5.33 0.37 1 93 ALA 3.85 0.29 1 94 LYS 4.20 1.53 1 95 ILE 4.75 3.43 1 96 VAL 6.96 1.26 1 97 ASN 3.54 3.84 1 98 ASP 3.68 1.13 1 99 ASN -1.26 -2.48 1 100 ASN 2.55 -0.37 1 101 TYR 0.85 0.89 1 102 LYS -0.52 0.33 1 103 SER -2.44 -1.33 1 104 VAL -6.40 -3.54 1 105 ALA -4.42 -2.42 1 108 LEU -0.58 -0.21 1 113 ILE 6.60 2.06 1 114 PHE -2.03 1.26 1 115 SER 1.55 3.55 1 117 ASN 2.89 -1.70 1 118 LYS -4.42 -1.52 1 119 ASP 0.74 0.28 1 120 ARG -0.83 -0.87 1 121 LEU 7.43 0.31 1 122 THR 6.18 0.94 1 123 GLN 3.51 1.76 1 124 SER 2.26 1.95 1 125 LEU 2.96 0.05 1 126 ASN 5.02 3.64 1 127 HIS 0.63 2.55 1 128 LEU 5.08 1.09 1 129 LEU 3.10 0.59 1 130 THR 5.77 1.47 1 131 ALA 1.11 2.13 1 132 LEU 5.16 1.65 1 133 ASP 2.68 0.99 1 134 THR 0.73 -0.74 1 135 THR -3.69 -2.77 1 136 ASP -2.98 0.35 1 137 ALA -0.25 -2.49 1 138 ASP -0.13 -0.89 1 139 VAL -0.22 -2.53 1 140 ALA -4.16 -2.42 1 141 ILE -0.81 -0.74 1 142 TYR -4.53 0.50 1 144 ARG -1.03 -0.56 1 145 ASP -3.79 0.01 1 146 LYS 3.90 1.53 1 147 LYS 4.85 3.25 1 148 TRP 3.92 1.19 1 149 GLU 3.44 1.17 1 150 MET 4.18 2.73 1 151 THR 5.93 2.45 1 152 LEU 2.09 0.39 1 153 LYS 5.49 3.21 1 154 GLU 3.03 1.46 1 155 ALA 3.21 3.30 1 156 VAL 4.96 1.49 1 157 ALA 2.90 2.10 1 158 ARG 2.22 0.96 1 159 ARG 1.64 0.47 1 160 GLU 0.26 0.14 1 stop_ save_