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 bmr18701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.10 _LACS_plot.Line_2_terminator_val_y_2 4.91 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 LYS 3.93 0.03 0 32 ASP 3.07 -0.54 0 10 SER 4.38 3.24 1 12 LYS 3.68 3.04 1 13 ASN 3.96 3.54 1 14 ALA 3.72 3.08 1 15 TYR 4.18 4.84 1 16 ASP 4.64 3.90 1 17 LEU 3.33 3.00 1 18 LEU 3.58 4.80 1 19 HIS 2.88 3.90 1 20 ASN 1.42 1.10 1 21 LYS -1.08 -0.91 1 22 HIS 4.61 1.33 1 23 GLN -0.67 0.61 1 24 HIS -6.54 -1.70 1 25 SER 0.62 1.35 1 26 TYR -3.72 -1.51 1 27 ILE -5.61 -0.39 1 28 ILE -1.46 -0.15 1 29 PHE -5.16 -1.88 1 30 LYS -6.00 -1.92 1 31 ILE 2.04 0.75 1 34 ASN 0.33 1.05 1 35 ASP -1.15 -0.16 1 36 THR -1.28 0.78 1 37 ALA -4.53 -1.02 1 38 ILE -0.08 0.34 1 39 VAL -5.69 -3.12 1 40 VAL 1.88 1.60 1 41 GLU -3.01 0.61 1 42 LYS -5.44 -1.68 1 43 VAL -3.82 -2.55 1 45 GLU -0.98 -0.21 1 48 ALA 1.46 1.01 1 50 TYR 5.32 4.76 1 51 ALA 2.58 2.51 1 52 GLU 2.77 2.64 1 53 PHE 5.10 2.19 1 54 VAL 6.11 4.69 1 55 GLU 2.93 2.32 1 56 GLU 3.49 2.23 1 57 MET 4.28 1.64 1 58 LYS 4.33 4.02 1 59 LYS 3.03 2.72 1 60 LEU 0.90 1.62 1 61 VAL -0.16 -1.09 1 62 GLU 3.34 2.64 1 63 ASP 1.80 0.73 1 65 LYS -0.68 0.27 1 66 GLU -3.91 -0.78 1 68 ARG -2.15 -0.67 1 69 TYR -6.72 -3.52 1 70 ALA -5.10 -0.04 1 71 ALA -3.86 -1.41 1 72 VAL -3.09 -0.92 1 73 ASP -0.87 -0.31 1 74 VAL -1.13 -0.35 1 75 GLU -2.77 -1.02 1 76 VAL -3.66 -1.74 1 77 THR 0.10 0.37 1 78 VAL -3.82 -1.98 1 79 GLN -0.25 -0.12 1 80 ARG -0.52 -0.10 1 81 GLN 1.44 0.92 1 83 ALA -1.49 -0.34 1 84 GLU -0.09 0.44 1 86 THR -2.42 -0.69 1 87 SER -2.40 -0.77 1 88 THR -1.68 -0.36 1 89 LEU -3.60 -0.92 1 90 ASN -1.58 0.28 1 91 LYS -5.32 -1.89 1 92 VAL 0.41 -0.52 1 93 ILE -4.05 -1.84 1 94 PHE -4.09 -1.30 1 95 VAL -4.34 -1.69 1 96 GLN -2.28 -0.28 1 97 TYR -3.11 -0.66 1 100 ASP 3.59 3.17 1 101 ASN 0.50 -0.32 1 102 ALA 1.75 1.05 1 104 VAL 5.62 4.69 1 105 ARG 4.86 3.65 1 106 ARG 3.38 2.58 1 107 ARG 5.26 4.62 1 108 MET 3.79 3.27 1 109 LEU 3.09 3.08 1 110 TYR 4.67 3.70 1 111 ALA 3.80 3.16 1 112 SER 2.90 2.57 1 113 SER 2.33 1.92 1 114 VAL 3.42 2.41 1 115 ARG 5.59 3.89 1 116 ALA 3.47 2.26 1 117 LEU 3.58 2.76 1 118 LYS 4.41 3.77 1 119 ALA 2.66 1.94 1 120 SER 3.55 3.30 1 121 LEU 1.95 0.80 1 123 LEU -0.65 -1.15 1 124 GLU 4.56 3.86 1 125 SER 0.54 0.29 1 126 LEU 0.16 -0.17 1 127 PHE 1.77 2.12 1 128 GLN -4.74 -2.17 1 129 VAL -2.84 -0.76 1 130 GLN 0.32 -0.69 1 131 ALA -6.38 -1.73 1 132 SER -2.75 -0.63 1 133 GLU -4.81 -1.60 1 134 MET 5.05 1.19 1 135 SER 4.47 2.92 1 136 ASP 2.12 2.68 1 137 LEU -1.30 -1.88 1 138 ASP -0.41 1.78 1 139 GLU 3.09 3.70 1 140 LYS 4.48 3.35 1 141 SER 4.25 3.44 1 142 VAL 5.05 4.53 1 143 LYS 6.04 5.08 1 144 SER 4.28 3.47 1 145 ASP 4.08 3.17 1 146 LEU 2.03 2.27 1 147 MET 1.92 0.91 1 148 SER 2.00 1.84 1 149 ASN 0.53 1.34 1 150 GLN 0.23 0.12 1 151 ARG 0.80 0.33 1 152 ILE 0.89 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 4.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 6.10 _LACS_plot.Line_2_terminator_val_y_2 -1.19 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 LYS 3.93 -3.90 0 32 ASP 3.07 -3.61 0 10 SER 4.38 -1.14 1 12 LYS 3.68 -0.64 1 13 ASN 3.96 -0.42 1 14 ALA 3.72 -0.64 1 15 TYR 4.18 0.66 1 16 ASP 4.64 -0.74 1 17 LEU 3.33 -0.33 1 18 LEU 3.58 1.22 1 19 HIS 2.88 1.02 1 20 ASN 1.42 -0.32 1 21 LYS -1.08 0.17 1 22 HIS 4.61 -3.28 1 23 GLN -0.67 1.28 1 24 HIS -6.54 4.84 1 25 SER 0.62 0.73 1 26 TYR -3.72 2.21 1 27 ILE -5.61 5.22 1 28 ILE -1.46 1.31 1 29 PHE -5.16 3.28 1 30 LYS -6.00 4.08 1 31 ILE 2.04 -1.29 1 34 ASN 0.33 0.72 1 35 ASP -1.15 0.99 1 36 THR -1.28 2.06 1 37 ALA -4.53 3.51 1 38 ILE -0.08 0.42 1 39 VAL -5.69 2.57 1 40 VAL 1.88 -0.28 1 41 GLU -3.01 3.62 1 42 LYS -5.44 3.76 1 43 VAL -3.82 1.27 1 45 GLU -0.98 0.77 1 48 ALA 1.46 -0.45 1 50 TYR 5.32 -0.56 1 51 ALA 2.58 -0.07 1 52 GLU 2.77 -0.13 1 53 PHE 5.10 -2.91 1 54 VAL 6.11 -1.42 1 55 GLU 2.93 -0.61 1 56 GLU 3.49 -1.26 1 57 MET 4.28 -2.64 1 58 LYS 4.33 -0.31 1 59 LYS 3.03 -0.31 1 60 LEU 0.90 0.72 1 61 VAL -0.16 -0.93 1 62 GLU 3.34 -0.70 1 63 ASP 1.80 -1.07 1 65 LYS -0.68 0.95 1 66 GLU -3.91 3.13 1 68 ARG -2.15 1.48 1 69 TYR -6.72 3.20 1 70 ALA -5.10 5.06 1 71 ALA -3.86 2.45 1 72 VAL -3.09 2.17 1 73 ASP -0.87 0.56 1 74 VAL -1.13 0.78 1 75 GLU -2.77 1.75 1 76 VAL -3.66 1.92 1 77 THR 0.10 0.27 1 78 VAL -3.82 1.84 1 79 GLN -0.25 0.13 1 80 ARG -0.52 0.42 1 81 GLN 1.44 -0.52 1 83 ALA -1.49 1.15 1 84 GLU -0.09 0.53 1 86 THR -2.42 1.73 1 87 SER -2.40 1.63 1 88 THR -1.68 1.32 1 89 LEU -3.60 2.68 1 90 ASN -1.58 1.86 1 91 LYS -5.32 3.43 1 92 VAL 0.41 -0.93 1 93 ILE -4.05 2.21 1 94 PHE -4.09 2.79 1 95 VAL -4.34 2.65 1 96 GLN -2.28 2.00 1 97 TYR -3.11 2.45 1 100 ASP 3.59 -0.42 1 101 ASN 0.50 -0.82 1 102 ALA 1.75 -0.70 1 104 VAL 5.62 -0.93 1 105 ARG 4.86 -1.21 1 106 ARG 3.38 -0.80 1 107 ARG 5.26 -0.64 1 108 MET 3.79 -0.52 1 109 LEU 3.09 -0.01 1 110 TYR 4.67 -0.97 1 111 ALA 3.80 -0.64 1 112 SER 2.90 -0.33 1 113 SER 2.33 -0.41 1 114 VAL 3.42 -1.01 1 115 ARG 5.59 -1.70 1 116 ALA 3.47 -1.21 1 117 LEU 3.58 -0.82 1 118 LYS 4.41 -0.64 1 119 ALA 2.66 -0.72 1 120 SER 3.55 -0.25 1 121 LEU 1.95 -1.15 1 123 LEU -0.65 -0.50 1 124 GLU 4.56 -0.70 1 125 SER 0.54 -0.25 1 126 LEU 0.16 -0.33 1 127 PHE 1.77 0.35 1 128 GLN -4.74 2.57 1 129 VAL -2.84 2.08 1 130 GLN 0.32 -1.01 1 131 ALA -6.38 4.65 1 132 SER -2.75 2.12 1 133 GLU -4.81 3.21 1 134 MET 5.05 -3.86 1 135 SER 4.47 -1.55 1 136 ASP 2.12 0.56 1 137 LEU -1.30 -0.58 1 138 ASP -0.41 2.19 1 139 GLU 3.09 0.61 1 140 LYS 4.48 -1.13 1 141 SER 4.25 -0.81 1 142 VAL 5.05 -0.52 1 143 LYS 6.04 -0.96 1 144 SER 4.28 -0.81 1 145 ASP 4.08 -0.91 1 146 LEU 2.03 0.24 1 147 MET 1.92 -1.01 1 148 SER 2.00 -0.16 1 149 ASN 0.53 0.81 1 150 GLN 0.23 -0.11 1 151 ARG 0.80 -0.47 1 152 ILE 0.89 0.91 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.10 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _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 24 HIS -6.54 -0.58 0 10 SER 4.38 -0.21 1 12 LYS 3.68 -0.37 1 13 ASN 3.96 -0.27 1 14 ALA 3.72 -0.08 1 15 TYR 4.18 -0.50 1 16 ASP 4.64 -0.34 1 17 LEU 3.33 -0.47 1 18 LEU 3.58 -0.24 1 19 HIS 2.88 -0.99 1 20 ASN 1.42 -0.17 1 21 LYS -1.08 0.09 1 22 HIS 4.61 -0.01 1 23 GLN -0.67 -0.33 1 25 SER 0.62 0.13 1 26 TYR -3.72 0.80 1 27 ILE -5.61 0.36 1 28 ILE -1.46 0.63 1 29 PHE -5.16 1.10 1 30 LYS -6.00 0.83 1 31 ILE 2.04 0.51 1 32 ASP 3.07 -0.19 1 33 LYS 3.93 -0.01 1 34 ASN 0.33 -0.06 1 36 THR -1.28 0.22 1 37 ALA -4.53 1.18 1 38 ILE -0.08 0.50 1 39 VAL -5.69 0.55 1 40 VAL 1.88 -0.33 1 41 GLU -3.01 0.06 1 42 LYS -5.44 0.33 1 43 VAL -3.82 0.33 1 45 GLU -0.98 0.07 1 48 ALA 1.46 -0.20 1 50 TYR 5.32 -0.49 1 51 ALA 2.58 -0.24 1 52 GLU 2.77 -0.32 1 53 PHE 5.10 -1.65 1 54 VAL 6.11 -1.77 1 55 GLU 2.93 -0.61 1 56 GLU 3.49 -0.50 1 57 MET 4.28 -0.68 1 58 LYS 4.33 -0.70 1 59 LYS 3.03 -0.43 1 60 LEU 0.90 -0.21 1 61 VAL -0.16 0.32 1 62 GLU 3.34 -0.32 1 63 ASP 1.80 -0.27 1 65 LYS -0.68 -0.11 1 66 GLU -3.91 -0.10 1 68 ARG -2.15 0.07 1 69 TYR -6.72 1.27 1 70 ALA -5.10 1.42 1 71 ALA -3.86 1.55 1 72 VAL -3.09 0.38 1 73 ASP -0.87 0.33 1 74 VAL -1.13 0.07 1 75 GLU -2.77 0.49 1 76 VAL -3.66 0.31 1 77 THR 0.10 0.53 1 78 VAL -3.82 0.26 1 79 GLN -0.25 0.04 1 80 ARG -0.52 -0.06 1 81 GLN 1.44 -0.13 1 83 ALA -1.49 0.09 1 84 GLU -0.09 -0.10 1 86 THR -2.42 0.44 1 87 SER -2.40 0.27 1 88 THR -1.68 0.80 1 89 LEU -3.60 0.27 1 90 ASN -1.58 0.90 1 91 LYS -5.32 0.38 1 92 VAL 0.41 0.98 1 93 ILE -4.05 1.18 1 94 PHE -4.09 0.96 1 95 VAL -4.34 0.59 1 96 GLN -2.28 0.39 1 97 TYR -3.11 0.47 1 100 ASP 3.59 -0.42 1 101 ASN 0.50 0.05 1 102 ALA 1.75 -0.08 1 104 VAL 5.62 -0.52 1 105 ARG 4.86 -0.26 1 106 ARG 3.38 -0.12 1 107 ARG 5.26 -0.33 1 108 MET 3.79 -0.26 1 109 LEU 3.09 -0.15 1 110 TYR 4.67 -0.36 1 111 ALA 3.80 0.04 1 112 SER 2.90 -0.11 1 113 SER 2.33 0.08 1 114 VAL 3.42 -0.76 1 115 ARG 5.59 -0.64 1 116 ALA 3.47 -0.28 1 117 LEU 3.58 -0.69 1 118 LYS 4.41 0.04 1 119 ALA 2.66 -0.16 1 120 SER 3.55 -0.40 1 121 LEU 1.95 -0.26 1 123 LEU -0.65 -0.20 1 124 GLU 4.56 -0.65 1 125 SER 0.54 -0.01 1 126 LEU 0.16 0.13 1 127 PHE 1.77 -0.27 1 128 GLN -4.74 1.17 1 129 VAL -2.84 -0.04 1 130 GLN 0.32 0.39 1 131 ALA -6.38 0.50 1 132 SER -2.75 -0.39 1 133 GLU -4.81 0.48 1 134 MET 5.05 0.05 1 135 SER 4.47 -0.26 1 136 ASP 2.12 -0.09 1 137 LEU -1.30 0.18 1 138 ASP -0.41 -0.31 1 139 GLU 3.09 -1.04 1 140 LYS 4.48 -0.43 1 141 SER 4.25 -0.29 1 142 VAL 5.05 -0.34 1 143 LYS 6.04 -0.70 1 144 SER 4.28 -0.31 1 145 ASP 4.08 -0.23 1 146 LEU 2.03 -1.28 1 147 MET 1.92 -0.17 1 148 SER 2.00 -0.13 1 149 ASN 0.53 -0.06 1 150 GLN 0.23 -0.03 1 151 ARG 0.80 0.02 1 152 ILE 0.89 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18701_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.10 _LACS_plot.Line_2_terminator_val_y_2 2.43 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 152 ILE 0.89 4.53 0 24 HIS -6.54 0.98 0 10 SER 4.38 3.07 1 12 LYS 3.68 1.09 1 13 ASN 3.96 2.10 1 14 ALA 3.72 1.28 1 15 TYR 4.18 1.22 1 16 ASP 4.64 2.89 1 17 LEU 3.33 1.11 1 18 LEU 3.58 -1.02 1 19 HIS 2.88 0.53 1 20 ASN 1.42 1.42 1 21 LYS -1.08 -0.93 1 22 HIS 4.61 0.57 1 23 GLN -0.67 -1.96 1 25 SER 0.62 -1.23 1 26 TYR -3.72 -2.49 1 27 ILE -5.61 -2.08 1 28 ILE -1.46 -1.64 1 29 PHE -5.16 -1.61 1 30 LYS -6.00 -3.19 1 31 ILE 2.04 -1.69 1 33 LYS 3.93 -1.84 1 34 ASN 0.33 -0.46 1 35 ASP -1.15 -0.71 1 36 THR -1.28 0.82 1 37 ALA -4.53 -2.50 1 38 ILE -0.08 -2.10 1 39 VAL -5.69 -1.33 1 40 VAL 1.88 -1.00 1 41 GLU -3.01 -0.95 1 42 LYS -5.44 -2.88 1 43 VAL -3.82 -1.37 1 45 GLU -0.98 -1.23 1 48 ALA 1.46 0.31 1 50 TYR 5.32 1.53 1 51 ALA 2.58 2.04 1 52 GLU 2.77 1.37 1 53 PHE 5.10 -0.22 1 54 VAL 6.11 0.80 1 55 GLU 2.93 2.26 1 56 GLU 3.49 2.67 1 57 MET 4.28 1.21 1 58 LYS 4.33 1.74 1 59 LYS 3.03 1.80 1 60 LEU 0.90 2.02 1 61 VAL -0.16 1.45 1 62 GLU 3.34 0.00 1 63 ASP 1.80 1.26 1 65 LYS -0.68 -0.37 1 66 GLU -3.91 -2.54 1 68 ARG -2.15 0.32 1 69 TYR -6.72 -0.60 1 70 ALA -5.10 -3.43 1 71 ALA -3.86 -2.30 1 72 VAL -3.09 -3.11 1 73 ASP -0.87 -1.04 1 74 VAL -1.13 -2.45 1 75 GLU -2.77 -0.80 1 76 VAL -3.66 -1.74 1 77 THR 0.10 -0.70 1 78 VAL -3.82 -1.70 1 79 GLN -0.25 -0.35 1 80 ARG -0.52 -0.44 1 81 GLN 1.44 0.78 1 83 ALA -1.49 -0.83 1 84 GLU -0.09 0.33 1 86 THR -2.42 -0.42 1 87 SER -2.40 -1.64 1 88 THR -1.68 -1.05 1 89 LEU -3.60 -3.43 1 90 ASN -1.58 -0.44 1 91 LYS -5.32 -2.97 1 92 VAL 0.41 -0.78 1 93 ILE -4.05 -2.18 1 94 PHE -4.09 -2.76 1 95 VAL -4.34 -2.17 1 96 GLN -2.28 -3.09 1 97 TYR -3.11 -1.06 1 100 ASP 3.59 0.69 1 101 ASN 0.50 0.06 1 104 VAL 5.62 0.91 1 105 ARG 4.86 2.89 1 106 ARG 3.38 1.69 1 107 ARG 5.26 3.12 1 108 MET 3.79 2.67 1 109 LEU 3.09 2.84 1 110 TYR 4.67 4.67 1 111 ALA 3.80 2.51 1 112 SER 2.90 2.35 1 113 SER 2.33 -1.21 1 114 VAL 3.42 -0.28 1 115 ARG 5.59 2.06 1 116 ALA 3.47 2.54 1 117 LEU 3.58 -0.15 1 118 LYS 4.41 2.09 1 119 ALA 2.66 2.38 1 120 SER 3.55 1.20 1 121 LEU 1.95 -1.48 1 123 LEU -0.65 0.59 1 124 GLU 4.56 0.37 1 125 SER 0.54 -0.13 1 126 LEU 0.16 0.17 1 127 PHE 1.77 -2.26 1 128 GLN -4.74 -1.26 1 129 VAL -2.84 -1.56 1 130 GLN 0.32 -2.22 1 131 ALA -6.38 -2.89 1 132 SER -2.75 -2.51 1 133 GLU -4.81 1.07 1 134 MET 5.05 4.56 1 135 SER 4.47 2.39 1 136 ASP 2.12 -0.65 1 137 LEU -1.30 -1.56 1 138 ASP -0.41 -0.46 1 139 GLU 3.09 0.68 1 140 LYS 4.48 3.17 1 141 SER 4.25 1.37 1 142 VAL 5.05 1.86 1 143 LYS 6.04 1.91 1 144 SER 4.28 2.74 1 145 ASP 4.08 2.41 1 146 LEU 2.03 0.85 1 147 MET 1.92 1.54 1 148 SER 2.00 0.35 1 149 ASN 0.53 -0.25 1 150 GLN 0.23 -0.63 1 151 ARG 0.80 -1.09 1 stop_ save_