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 bmr17747_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -3.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.68 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.31 _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 58 MET -7.89 -1.79 0 11 THR 5.27 3.61 1 12 TYR 3.03 1.54 1 13 ALA 2.77 2.01 1 14 SER 5.30 3.67 1 15 LYS 2.96 1.63 1 16 GLN 3.35 1.83 1 17 ALA 2.64 1.80 1 18 THR 5.82 3.71 1 19 ASP 4.17 2.42 1 20 MET -1.21 0.09 1 22 ALA -0.95 0.62 1 23 ILE -4.69 -2.52 1 24 TYR -4.29 -2.29 1 25 VAL -7.51 -4.31 1 26 ASN -3.39 -2.78 1 27 SER 4.01 2.17 1 28 LYS 1.27 -0.30 1 30 ASP -2.62 -1.07 1 31 ARG 1.11 1.08 1 32 ILE -2.74 0.02 1 33 VAL -3.57 -2.19 1 34 ASN 1.94 -0.47 1 35 GLU 5.86 3.58 1 36 SER -0.45 -0.71 1 37 ASN -2.22 -1.56 1 38 VAL 0.77 -0.08 1 39 TYR 3.87 3.13 1 40 THR 4.50 3.22 1 41 THR 3.07 1.96 1 42 PHE 3.51 1.54 1 43 ARG 4.88 3.00 1 44 ASN 3.52 2.23 1 45 ALA 3.36 1.99 1 46 ILE 6.63 4.52 1 47 LEU 2.57 1.58 1 48 LYS 0.71 0.08 1 49 GLN -0.71 -2.01 1 50 ALA 3.78 2.51 1 51 ASP -0.53 -2.47 1 52 LYS 4.23 -0.09 1 53 VAL -5.01 -3.14 1 54 ALA -5.51 -2.09 1 55 TYR -2.54 -1.05 1 56 LEU -3.17 -1.65 1 57 VAL -0.50 -0.43 1 59 ASP -3.50 -2.69 1 60 GLU 2.98 3.42 1 61 ARG 2.78 2.08 1 62 THR 6.39 4.16 1 63 TRP 2.27 2.12 1 64 LYS 5.05 3.78 1 65 LYS 2.56 1.01 1 66 VAL 6.52 4.61 1 67 TYR 5.88 3.94 1 68 ASP 4.10 2.57 1 69 LEU 2.78 2.15 1 70 LEU 4.56 3.10 1 71 ILE 2.43 -0.11 1 72 LEU 2.39 1.86 1 73 HIS 4.85 6.03 1 74 ASP 3.06 2.59 1 75 PHE -1.51 -0.32 1 76 THR 0.30 -1.07 1 78 GLU 4.81 3.40 1 79 GLU 2.28 2.11 1 80 ILE 4.71 3.01 1 81 LYS 4.61 3.59 1 82 SER 3.82 2.86 1 83 PHE 2.65 -0.03 1 84 PHE 0.29 0.22 1 85 GLU -1.19 -0.31 1 86 ASN 0.57 -0.27 1 87 LYS 0.71 -0.64 1 89 LYS -1.40 -1.08 1 90 ARG 0.37 0.20 1 92 VAL 1.33 1.02 1 93 PHE -1.55 -3.36 1 94 VAL -5.39 -2.33 1 95 LYS -5.33 -2.80 1 97 SER -0.14 -0.16 1 98 LEU 5.87 3.56 1 99 GLU 4.69 3.37 1 100 SER 2.39 1.82 1 101 ALA 4.77 2.17 1 102 ALA 3.59 2.75 1 103 GLU 2.91 2.30 1 104 GLN 1.36 2.87 1 105 ALA 0.04 0.06 1 107 ILE -3.98 -2.23 1 108 VAL 4.73 2.44 1 109 VAL 5.64 4.75 1 110 ASP 4.52 2.75 1 111 GLU 2.83 1.08 1 112 LEU 4.54 2.35 1 113 VAL 5.95 4.35 1 114 GLN 3.76 2.74 1 115 THR 5.68 3.88 1 116 VAL 7.72 5.64 1 117 LYS 5.25 3.95 1 118 ASN 3.96 1.67 1 119 TYR 4.44 4.16 1 120 GLN 3.84 3.48 1 122 TYR 2.33 -0.98 1 123 VAL 6.21 3.90 1 124 GLN 3.98 2.80 1 125 ASP 0.43 0.66 1 127 HIS -2.83 0.57 1 128 ASP -1.85 -3.05 1 129 HIS 0.88 2.77 1 130 ASP -0.08 2.16 1 131 PHE -0.25 0.79 1 133 ARG -1.12 0.95 1 134 ASP -1.00 0.53 1 136 LYS 3.70 1.98 1 137 TYR -2.60 -1.74 1 138 LEU -0.85 -1.80 1 139 HIS -2.97 0.57 1 140 GLN 1.56 0.80 1 141 PHE 0.77 0.32 1 142 GLU -2.65 -1.26 1 144 GLU -1.96 -0.44 1 145 THR 1.36 0.67 1 146 PHE -3.62 -1.21 1 147 TYR -3.93 -1.78 1 148 ILE -3.25 -1.66 1 149 ILE -4.52 -2.11 1 150 GLU -0.91 0.42 1 151 GLN -2.75 -1.87 1 152 ARG -3.60 -1.71 1 153 LEU 0.16 -0.22 1 154 GLU -0.48 -0.29 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17747_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 4.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -2.41 _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 58 MET -7.89 6.10 0 11 THR 5.27 -1.66 1 12 TYR 3.03 -1.49 1 13 ALA 2.77 -0.76 1 14 SER 5.30 -1.63 1 15 LYS 2.96 -1.33 1 16 GLN 3.35 -1.52 1 17 ALA 2.64 -0.84 1 18 THR 5.82 -2.11 1 19 ASP 4.17 -1.75 1 20 MET -1.21 1.30 1 22 ALA -0.95 1.57 1 23 ILE -4.69 2.17 1 24 TYR -4.29 2.00 1 25 VAL -7.51 3.20 1 26 ASN -3.39 0.61 1 27 SER 4.01 -1.84 1 28 LYS 1.27 -1.57 1 30 ASP -2.62 1.55 1 31 ARG 1.11 -0.03 1 32 ILE -2.74 2.76 1 33 VAL -3.57 1.38 1 34 ASN 1.94 -2.41 1 35 GLU 5.86 -2.28 1 36 SER -0.45 -0.26 1 37 ASN -2.22 0.66 1 38 VAL 0.77 -0.85 1 39 TYR 3.87 -0.74 1 40 THR 4.50 -1.28 1 41 THR 3.07 -1.11 1 42 PHE 3.51 -1.97 1 43 ARG 4.88 -1.88 1 44 ASN 3.52 -1.29 1 45 ALA 3.36 -1.37 1 46 ILE 6.63 -2.11 1 47 LEU 2.57 -0.99 1 48 LYS 0.71 -0.63 1 49 GLN -0.71 -1.30 1 50 ALA 3.78 -1.27 1 51 ASP -0.53 -1.94 1 52 LYS 4.23 -4.32 1 53 VAL -5.01 1.87 1 54 ALA -5.51 3.42 1 55 TYR -2.54 1.49 1 56 LEU -3.17 1.52 1 57 VAL -0.50 0.07 1 59 ASP -3.50 0.81 1 60 GLU 2.98 0.44 1 61 ARG 2.78 -0.70 1 62 THR 6.39 -2.23 1 63 TRP 2.27 -0.15 1 64 LYS 5.05 -1.27 1 65 LYS 2.56 -1.55 1 66 VAL 6.52 -1.91 1 67 TYR 5.88 -1.94 1 68 ASP 4.10 -1.53 1 69 LEU 2.78 -0.63 1 70 LEU 4.56 -1.46 1 71 ILE 2.43 -2.54 1 72 LEU 2.39 -0.53 1 73 HIS 4.85 1.18 1 74 ASP 3.06 -0.47 1 75 PHE -1.51 1.19 1 76 THR 0.30 -1.37 1 78 GLU 4.81 -1.41 1 79 GLU 2.28 -0.17 1 80 ILE 4.71 -1.70 1 81 LYS 4.61 -1.02 1 82 SER 3.82 -0.96 1 83 PHE 2.65 -2.68 1 84 PHE 0.29 -0.07 1 85 GLU -1.19 0.88 1 86 ASN 0.57 -0.84 1 87 LYS 0.71 -1.35 1 89 LYS -1.40 0.32 1 90 ARG 0.37 -0.17 1 92 VAL 1.33 -0.31 1 93 PHE -1.55 -1.81 1 94 VAL -5.39 3.06 1 95 LYS -5.33 2.53 1 97 SER -0.14 -0.02 1 98 LEU 5.87 -2.31 1 99 GLU 4.69 -1.32 1 100 SER 2.39 -0.57 1 101 ALA 4.77 -2.60 1 102 ALA 3.59 -0.84 1 103 GLU 2.91 -0.61 1 104 GLN 1.36 1.51 1 105 ALA 0.04 0.02 1 107 ILE -3.98 1.75 1 108 VAL 4.73 -2.29 1 109 VAL 5.64 -0.89 1 110 ASP 4.52 -1.77 1 111 GLU 2.83 -1.75 1 112 LEU 4.54 -2.19 1 113 VAL 5.95 -1.60 1 114 GLN 3.76 -1.02 1 115 THR 5.68 -1.80 1 116 VAL 7.72 -2.08 1 117 LYS 5.25 -1.30 1 118 ASN 3.96 -2.29 1 119 TYR 4.44 -0.28 1 120 GLN 3.84 -0.36 1 122 TYR 2.33 -3.31 1 123 VAL 6.21 -2.31 1 124 GLN 3.98 -1.18 1 125 ASP 0.43 0.23 1 127 HIS -2.83 3.40 1 128 ASP -1.85 -1.20 1 129 HIS 0.88 1.89 1 130 ASP -0.08 2.24 1 131 PHE -0.25 1.04 1 133 ARG -1.12 2.07 1 134 ASP -1.00 1.53 1 136 LYS 3.70 -1.72 1 137 TYR -2.60 0.86 1 138 LEU -0.85 -0.95 1 139 HIS -2.97 3.54 1 140 GLN 1.56 -0.76 1 141 PHE 0.77 -0.45 1 142 GLU -2.65 1.39 1 144 GLU -1.96 1.52 1 145 THR 1.36 -0.69 1 146 PHE -3.62 2.41 1 147 TYR -3.93 2.15 1 148 ILE -3.25 1.59 1 149 ILE -4.52 2.41 1 150 GLU -0.91 1.33 1 151 GLN -2.75 0.88 1 152 ARG -3.60 1.89 1 153 LEU 0.16 -0.38 1 154 GLU -0.48 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17747_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 148 ILE -3.25 1.34 0 24 TYR -4.29 1.54 0 11 THR 5.27 -0.45 1 12 TYR 3.03 -0.30 1 13 ALA 2.77 -0.39 1 14 SER 5.30 -0.62 1 15 LYS 2.96 -0.29 1 16 GLN 3.35 -0.35 1 17 ALA 2.64 -0.45 1 18 THR 5.82 -0.64 1 19 ASP 4.17 -0.12 1 20 MET -1.21 -0.24 1 22 ALA -0.95 0.13 1 23 ILE -4.69 0.52 1 25 VAL -7.51 1.29 1 26 ASN -3.39 0.30 1 27 SER 4.01 -0.48 1 28 LYS 1.27 -0.17 1 30 ASP -2.62 0.44 1 31 ARG 1.11 0.66 1 32 ILE -2.74 0.21 1 33 VAL -3.57 -0.48 1 34 ASN 1.94 -0.60 1 35 GLU 5.86 -0.70 1 36 SER -0.45 -0.06 1 37 ASN -2.22 0.06 1 38 VAL 0.77 0.00 1 39 TYR 3.87 -0.33 1 40 THR 4.50 -0.58 1 41 THR 3.07 -0.23 1 42 PHE 3.51 -0.54 1 43 ARG 4.88 -1.09 1 44 ASN 3.52 -0.50 1 45 ALA 3.36 -0.28 1 46 ILE 6.63 -0.99 1 47 LEU 2.57 -0.54 1 48 LYS 0.71 -0.18 1 49 GLN -0.71 0.01 1 50 ALA 3.78 -0.29 1 51 ASP -0.53 -0.10 1 52 LYS 4.23 -0.42 1 53 VAL -5.01 0.49 1 54 ALA -5.51 0.31 1 55 TYR -2.54 0.49 1 56 LEU -3.17 0.45 1 57 VAL -0.50 0.57 1 58 MET -7.89 1.19 1 59 ASP -3.50 0.23 1 60 GLU 2.98 -0.18 1 61 ARG 2.78 -0.45 1 62 THR 6.39 -0.40 1 63 TRP 2.27 -0.41 1 64 LYS 5.05 -0.94 1 65 LYS 2.56 -0.18 1 66 VAL 6.52 -0.95 1 67 TYR 5.88 -1.42 1 68 ASP 4.10 -0.49 1 69 LEU 2.78 -0.20 1 70 LEU 4.56 -0.11 1 71 ILE 2.43 0.37 1 72 LEU 2.39 -0.31 1 73 HIS 4.85 -0.24 1 74 ASP 3.06 -0.28 1 75 PHE -1.51 0.40 1 76 THR 0.30 0.20 1 78 GLU 4.81 -0.43 1 79 GLU 2.28 -0.56 1 80 ILE 4.71 -1.10 1 81 LYS 4.61 -0.16 1 82 SER 3.82 -0.14 1 83 PHE 2.65 -0.10 1 84 PHE 0.29 0.39 1 85 GLU -1.19 -0.02 1 86 ASN 0.57 0.00 1 87 LYS 0.71 0.16 1 89 LYS -1.40 0.09 1 90 ARG 0.37 -0.17 1 92 VAL 1.33 -0.10 1 93 PHE -1.55 0.48 1 94 VAL -5.39 0.43 1 95 LYS -5.33 0.99 1 97 SER -0.14 0.56 1 98 LEU 5.87 -1.06 1 99 GLU 4.69 -0.71 1 100 SER 2.39 -0.24 1 101 ALA 4.77 -0.65 1 102 ALA 3.59 -0.92 1 103 GLU 2.91 -0.43 1 104 GLN 1.36 -0.40 1 105 ALA 0.04 -0.06 1 107 ILE -3.98 0.17 1 108 VAL 4.73 -0.55 1 109 VAL 5.64 -1.07 1 110 ASP 4.52 -0.50 1 111 GLU 2.83 -0.20 1 112 LEU 4.54 0.12 1 113 VAL 5.95 -0.82 1 114 GLN 3.76 -0.40 1 115 THR 5.68 -0.37 1 116 VAL 7.72 -0.64 1 117 LYS 5.25 -0.37 1 118 ASN 3.96 -0.48 1 119 TYR 4.44 -0.78 1 120 GLN 3.84 -0.05 1 122 TYR 2.33 0.20 1 123 VAL 6.21 -0.90 1 124 GLN 3.98 -0.40 1 125 ASP 0.43 -0.07 1 127 HIS -2.83 -0.29 1 128 ASP -1.85 -0.61 1 129 HIS 0.88 -0.99 1 130 ASP -0.08 -0.18 1 131 PHE -0.25 0.05 1 133 ARG -1.12 -0.34 1 134 ASP -1.00 -0.35 1 136 LYS 3.70 -0.40 1 137 TYR -2.60 0.17 1 138 LEU -0.85 0.06 1 139 HIS -2.97 -0.36 1 140 GLN 1.56 -0.10 1 141 PHE 0.77 0.18 1 142 GLU -2.65 0.26 1 144 GLU -1.96 0.22 1 145 THR 1.36 0.00 1 146 PHE -3.62 0.38 1 147 TYR -3.93 0.53 1 149 ILE -4.52 0.66 1 150 GLU -0.91 -0.36 1 151 GLN -2.75 0.23 1 152 ARG -3.60 0.24 1 153 LEU 0.16 -0.16 1 154 GLU -0.48 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17747_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.89 _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 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.55 _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 70 LEU 4.56 -3.57 0 13 ALA 2.77 0.31 1 14 SER 5.30 0.96 1 15 LYS 2.96 0.67 1 16 GLN 3.35 1.71 1 17 ALA 2.64 2.43 1 18 THR 5.82 4.10 1 19 ASP 4.17 1.23 1 20 MET -1.21 -0.82 1 22 ALA -0.95 -0.55 1 23 ILE -4.69 -2.60 1 24 TYR -4.29 1.60 1 25 VAL -7.51 -0.84 1 27 SER 4.01 0.40 1 28 LYS 1.27 -0.35 1 30 ASP -2.62 -0.23 1 31 ARG 1.11 -0.05 1 32 ILE -2.74 0.41 1 33 VAL -3.57 -5.44 1 34 ASN 1.94 0.87 1 35 GLU 5.86 -0.68 1 36 SER -0.45 -0.78 1 42 PHE 3.51 0.14 1 43 ARG 4.88 0.95 1 44 ASN 3.52 -1.51 1 45 ALA 3.36 2.18 1 46 ILE 6.63 2.25 1 47 LEU 2.57 -0.10 1 48 LYS 0.71 0.75 1 53 VAL -5.01 -4.34 1 54 ALA -5.51 -4.54 1 55 TYR -2.54 -1.52 1 56 LEU -3.17 -0.63 1 57 VAL -0.50 -1.99 1 58 MET -7.89 -2.78 1 59 ASP -3.50 -0.43 1 60 GLU 2.98 0.11 1 61 ARG 2.78 1.43 1 62 THR 6.39 0.89 1 63 TRP 2.27 0.00 1 64 LYS 5.05 2.18 1 65 LYS 2.56 2.53 1 66 VAL 6.52 0.00 1 67 TYR 5.88 0.38 1 68 ASP 4.10 2.68 1 69 LEU 2.78 1.56 1 71 ILE 2.43 3.37 1 72 LEU 2.39 0.16 1 74 ASP 3.06 -0.69 1 75 PHE -1.51 -0.31 1 78 GLU 4.81 2.53 1 79 GLU 2.28 1.74 1 80 ILE 4.71 1.23 1 81 LYS 4.61 3.43 1 82 SER 3.82 1.85 1 83 PHE 2.65 1.21 1 84 PHE 0.29 1.45 1 89 LYS -1.40 -1.58 1 93 PHE -1.55 -1.52 1 94 VAL -5.39 -3.24 1 95 LYS -5.33 -1.17 1 97 SER -0.14 -0.62 1 98 LEU 5.87 0.05 1 99 GLU 4.69 2.28 1 100 SER 2.39 3.11 1 101 ALA 4.77 0.60 1 102 ALA 3.59 -1.24 1 103 GLU 2.91 3.40 1 104 GLN 1.36 1.65 1 105 ALA 0.04 -1.73 1 107 ILE -3.98 -0.58 1 108 VAL 4.73 0.43 1 109 VAL 5.64 1.07 1 110 ASP 4.52 2.78 1 111 GLU 2.83 0.49 1 112 LEU 4.54 0.85 1 113 VAL 5.95 1.97 1 114 GLN 3.76 1.37 1 115 THR 5.68 2.52 1 116 VAL 7.72 0.33 1 117 LYS 5.25 3.63 1 118 ASN 3.96 2.27 1 119 TYR 4.44 0.68 1 120 GLN 3.84 4.31 1 122 TYR 2.33 3.06 1 123 VAL 6.21 3.01 1 124 GLN 3.98 1.76 1 125 ASP 0.43 0.33 1 127 HIS -2.83 -2.01 1 128 ASP -1.85 -0.59 1 129 HIS 0.88 1.09 1 130 ASP -0.08 0.11 1 131 PHE -0.25 0.30 1 133 ARG -1.12 -1.20 1 136 LYS 3.70 0.62 1 137 TYR -2.60 -1.82 1 138 LEU -0.85 -2.78 1 139 HIS -2.97 -0.35 1 140 GLN 1.56 0.96 1 141 PHE 0.77 0.81 1 142 GLU -2.65 0.54 1 144 GLU -1.96 -0.10 1 145 THR 1.36 -2.05 1 146 PHE -3.62 -2.90 1 147 TYR -3.93 -1.23 1 148 ILE -3.25 -1.38 1 149 ILE -4.52 -0.58 1 150 GLU -0.91 -1.81 1 151 GLN -2.75 -3.35 1 152 ARG -3.60 -0.05 1 153 LEU 0.16 -0.63 1 stop_ save_