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 bmr6340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -2.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 5.40 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 SER 7.61 6.18 0 10 ALA -5.18 -1.14 1 11 GLN -4.75 -1.32 1 12 ARG -5.14 -2.49 1 14 ASP -2.15 -1.22 1 15 LYS -4.95 -0.78 1 16 VAL -3.15 -0.69 1 17 TYR -3.94 -1.59 1 18 LEU -5.08 -1.71 1 19 THR 1.24 0.75 1 20 VAL -1.29 -1.04 1 21 ALA 0.82 -0.61 1 22 LEU -4.48 -1.34 1 24 ASP 1.43 0.79 1 25 ALA -1.20 0.56 1 26 LYS -4.89 -1.78 1 27 ASP 2.21 0.76 1 28 ILE 1.20 1.45 1 29 SER -1.72 -1.01 1 30 VAL -6.02 -2.29 1 31 LYS -2.92 -0.88 1 33 GLU -2.44 -0.57 1 35 GLN 4.43 2.09 1 37 LEU -2.66 -0.57 1 38 PHE -3.92 -0.40 1 39 SER -2.95 -1.45 1 40 PHE -5.91 -1.25 1 41 SER -3.02 -1.38 1 42 ALA -6.36 -0.62 1 43 LEU -4.12 -1.40 1 45 ALA 1.84 1.86 1 46 GLN 2.01 0.36 1 48 GLU -0.91 -0.24 1 49 ARG -0.56 -0.24 1 50 PHE -4.73 -0.98 1 51 GLU -6.88 -1.66 1 52 PHE -0.36 0.79 1 53 SER -1.83 -0.60 1 54 LEU -4.68 -1.68 1 55 GLU -0.67 -0.99 1 56 LEU -0.53 0.42 1 57 TYR 2.39 3.26 1 59 LYS 0.66 1.12 1 60 ILE -5.13 -1.01 1 61 MET -0.73 -1.21 1 62 THR 3.56 2.72 1 63 GLU 0.54 -0.30 1 64 TYR -4.23 -2.09 1 65 ARG -3.98 -1.30 1 66 LYS -5.90 -1.58 1 67 ASN -2.40 -0.22 1 68 VAL 2.43 1.51 1 70 LEU 2.21 2.61 1 71 ARG -1.33 -0.04 1 72 ASN -3.57 -1.21 1 73 ILE -4.48 -0.28 1 74 ILE -2.71 -0.49 1 75 PHE -3.04 -0.52 1 76 SER -1.78 -1.37 1 77 ILE -3.64 -1.48 1 78 GLN -1.01 -0.25 1 79 LYS -1.05 0.82 1 80 GLU 2.19 3.01 1 81 GLU -5.54 -2.60 1 82 ARG 2.20 0.96 1 83 SER -0.95 0.08 1 84 TRP 0.80 0.80 1 85 TRP -2.04 -2.09 1 86 THR 3.01 2.05 1 87 ARG -1.93 -1.95 1 88 LEU 3.79 2.49 1 89 LEU -2.06 -1.65 1 90 LYS 4.40 3.44 1 91 SER -0.32 -0.30 1 92 GLU -0.13 0.49 1 93 GLU -0.68 -0.22 1 94 LYS 1.27 1.05 1 96 ALA -0.11 0.46 1 98 TYR 1.13 -0.94 1 99 ILE 0.83 -0.38 1 100 LYS -6.30 -2.10 1 101 VAL 1.22 1.15 1 102 ASP -1.10 -2.66 1 103 TRP 2.57 2.17 1 104 ASN 2.78 2.70 1 105 LYS -2.98 -0.32 1 106 TRP 1.49 1.53 1 108 ASP -1.42 -0.26 1 109 GLU 2.54 1.93 1 110 ASP 1.54 0.64 1 111 GLU -1.55 -0.26 1 112 GLU 1.34 1.58 1 113 VAL 0.94 0.70 1 114 ASN 0.05 0.51 1 115 SER 0.37 0.55 1 116 GLU 0.19 0.64 1 117 THR 0.08 0.31 1 118 ALA -0.09 0.34 1 119 SER 0.15 0.34 1 120 ASP 0.31 0.50 1 121 ASP 0.58 0.88 1 122 GLU 0.88 0.99 1 123 SER 1.74 1.48 1 124 ALA 0.59 0.62 1 125 PHE 0.10 0.09 1 126 VAL -0.16 0.16 1 127 ASN 0.14 0.41 1 128 GLN 0.17 0.60 1 129 ASP 0.21 0.64 1 130 SER 0.21 0.49 1 131 GLU -0.48 0.18 1 132 SER -0.38 0.04 1 133 SER -0.38 0.04 1 134 ASP 0.19 0.58 1 135 ASP 0.22 0.58 1 136 ASP 0.50 0.75 1 138 LEU 0.66 0.51 1 139 LEU -0.08 0.37 1 140 TYR -0.46 -0.42 1 141 LEU -0.19 0.20 1 143 ASP 0.78 0.70 1 144 LEU 1.35 1.22 1 145 GLU 0.73 0.91 1 146 LYS 0.98 0.88 1 147 ALA 0.25 0.45 1 148 ARG 0.26 0.45 1 149 ASN 0.21 0.48 1 150 LYS 0.94 1.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 4.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.01 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 SER 7.61 -1.43 0 10 ALA -5.18 4.04 1 11 GLN -4.75 3.43 1 12 ARG -5.14 2.65 1 14 ASP -2.15 0.93 1 15 LYS -4.95 4.17 1 16 VAL -3.15 2.46 1 17 TYR -3.94 2.35 1 18 LEU -5.08 3.37 1 19 THR 1.24 -0.49 1 20 VAL -1.29 0.25 1 21 ALA 0.82 -1.43 1 22 LEU -4.48 3.14 1 24 ASP 1.43 -0.64 1 25 ALA -1.20 1.76 1 26 LYS -4.89 3.11 1 27 ASP 2.21 -1.45 1 28 ILE 1.20 0.25 1 29 SER -1.72 0.71 1 30 VAL -6.02 3.73 1 31 LYS -2.92 2.04 1 33 GLU -2.44 1.87 1 35 GLN 4.43 -2.34 1 37 LEU -2.66 2.09 1 38 PHE -3.92 3.52 1 39 SER -2.95 1.50 1 40 PHE -5.91 4.66 1 41 SER -3.02 1.64 1 42 ALA -6.36 5.74 1 43 LEU -4.12 2.72 1 45 ALA 1.84 0.02 1 46 GLN 2.01 -1.65 1 48 GLU -0.91 0.67 1 49 ARG -0.56 0.32 1 50 PHE -4.73 3.75 1 51 GLU -6.88 5.22 1 52 PHE -0.36 1.15 1 53 SER -1.83 1.23 1 54 LEU -4.68 3.00 1 55 GLU -0.67 -0.32 1 56 LEU -0.53 0.95 1 57 TYR 2.39 0.87 1 59 LYS 0.66 0.46 1 60 ILE -5.13 4.12 1 61 MET -0.73 -0.48 1 62 THR 3.56 -0.84 1 63 GLU 0.54 -0.84 1 64 TYR -4.23 2.14 1 65 ARG -3.98 2.68 1 66 LYS -5.90 4.32 1 67 ASN -2.40 2.18 1 68 VAL 2.43 -0.92 1 70 LEU 2.21 0.40 1 71 ARG -1.33 1.29 1 72 ASN -3.57 2.36 1 73 ILE -4.48 4.20 1 74 ILE -2.71 2.22 1 75 PHE -3.04 2.52 1 76 SER -1.78 0.41 1 77 ILE -3.64 2.16 1 78 GLN -1.01 0.76 1 79 LYS -1.05 1.87 1 80 GLU 2.19 0.82 1 81 GLU -5.54 2.94 1 82 ARG 2.20 -1.24 1 83 SER -0.95 1.03 1 84 TRP 0.80 0.00 1 85 TRP -2.04 -0.05 1 86 THR 3.01 -0.96 1 87 ARG -1.93 -0.02 1 88 LEU 3.79 -1.30 1 89 LEU -2.06 0.41 1 90 LYS 4.40 -0.96 1 91 SER -0.32 0.02 1 92 GLU -0.13 0.62 1 93 GLU -0.68 0.46 1 94 LYS 1.27 -0.22 1 96 ALA -0.11 0.57 1 98 TYR 1.13 -2.07 1 99 ILE 0.83 -1.21 1 100 LYS -6.30 4.20 1 101 VAL 1.22 -0.07 1 102 ASP -1.10 -1.56 1 103 TRP 2.57 -0.40 1 104 ASN 2.78 -0.08 1 105 LYS -2.98 2.66 1 106 TRP 1.49 0.04 1 108 ASP -1.42 1.16 1 109 GLU 2.54 -0.61 1 110 ASP 1.54 -0.90 1 111 GLU -1.55 1.29 1 112 GLU 1.34 0.24 1 113 VAL 0.94 -0.24 1 114 ASN 0.05 0.46 1 115 SER 0.37 0.18 1 116 GLU 0.19 0.45 1 117 THR 0.08 0.23 1 118 ALA -0.09 0.43 1 119 SER 0.15 0.19 1 120 ASP 0.31 0.19 1 121 ASP 0.58 0.30 1 122 GLU 0.88 0.11 1 123 SER 1.74 -0.26 1 124 ALA 0.59 0.03 1 125 PHE 0.10 -0.01 1 126 VAL -0.16 0.32 1 127 ASN 0.14 0.27 1 128 GLN 0.17 0.43 1 129 ASP 0.21 0.43 1 130 SER 0.21 0.28 1 131 GLU -0.48 0.66 1 132 SER -0.38 0.42 1 133 SER -0.38 0.42 1 134 ASP 0.19 0.39 1 135 ASP 0.22 0.36 1 136 ASP 0.50 0.25 1 138 LEU 0.66 -0.15 1 139 LEU -0.08 0.45 1 140 TYR -0.46 0.04 1 141 LEU -0.19 0.39 1 143 ASP 0.78 -0.08 1 144 LEU 1.35 -0.13 1 145 GLU 0.73 0.18 1 146 LYS 0.98 -0.10 1 147 ALA 0.25 0.20 1 148 ARG 0.26 0.19 1 149 ASN 0.21 0.27 1 150 LYS 0.94 0.80 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _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 57 TYR 2.39 -1.61 0 10 ALA -5.18 -0.27 1 11 GLN -4.75 0.30 1 12 ARG -5.14 0.33 1 13 SER 7.61 -0.76 1 14 ASP -2.15 -0.04 1 15 LYS -4.95 0.88 1 16 VAL -3.15 -0.04 1 17 TYR -3.94 0.95 1 18 LEU -5.08 0.86 1 19 THR 1.24 0.82 1 20 VAL -1.29 0.40 1 21 ALA 0.82 0.26 1 22 LEU -4.48 -0.10 1 24 ASP 1.43 -0.11 1 25 ALA -1.20 0.09 1 26 LYS -4.89 0.32 1 27 ASP 2.21 -0.50 1 28 ILE 1.20 -0.16 1 29 SER -1.72 0.22 1 30 VAL -6.02 0.57 1 31 LYS -2.92 0.19 1 33 GLU -2.44 0.37 1 35 GLN 4.43 -0.18 1 37 LEU -2.66 0.86 1 38 PHE -3.92 0.54 1 39 SER -2.95 0.49 1 40 PHE -5.91 0.13 1 41 SER -3.02 0.66 1 42 ALA -6.36 0.24 1 43 LEU -4.12 0.95 1 45 ALA 1.84 -0.15 1 46 GLN 2.01 -0.06 1 48 GLU -0.91 -0.23 1 49 ARG -0.56 0.51 1 50 PHE -4.73 0.76 1 51 GLU -6.88 1.26 1 52 PHE -0.36 0.24 1 53 SER -1.83 0.78 1 54 LEU -4.68 0.54 1 55 GLU -0.67 0.38 1 59 LYS 0.66 -0.21 1 60 ILE -5.13 0.98 1 61 MET -0.73 0.34 1 62 THR 3.56 -0.13 1 63 GLU 0.54 0.18 1 64 TYR -4.23 0.62 1 65 ARG -3.98 0.58 1 66 LYS -5.90 1.12 1 67 ASN -2.40 0.15 1 68 VAL 2.43 -0.16 1 70 LEU 2.21 -0.13 1 71 ARG -1.33 -0.01 1 72 ASN -3.57 -0.24 1 73 ILE -4.48 0.49 1 74 ILE -2.71 0.79 1 75 PHE -3.04 1.00 1 76 SER -1.78 0.57 1 77 ILE -3.64 0.30 1 78 GLN -1.01 0.04 1 79 LYS -1.05 0.18 1 80 GLU 2.19 -0.40 1 81 GLU -5.54 0.22 1 83 SER -0.95 0.14 1 84 TRP 0.80 -0.75 1 85 TRP -2.04 0.03 1 86 THR 3.01 -0.22 1 87 ARG -1.93 0.18 1 88 LEU 3.79 -0.88 1 89 LEU -2.06 0.26 1 90 LYS 4.40 -0.66 1 91 SER -0.32 -0.29 1 92 GLU -0.13 -0.32 1 93 GLU -0.68 -0.26 1 94 LYS 1.27 0.31 1 96 ALA -0.11 -0.26 1 98 TYR 1.13 0.07 1 99 ILE 0.83 0.50 1 100 LYS -6.30 0.46 1 101 VAL 1.22 -0.91 1 102 ASP -1.10 -0.22 1 103 TRP 2.57 -0.27 1 104 ASN 2.78 -0.12 1 105 LYS -2.98 0.10 1 106 TRP 1.49 -0.52 1 108 ASP -1.42 0.15 1 109 GLU 2.54 -0.21 1 110 ASP 1.54 -0.37 1 111 GLU -1.55 -0.11 1 112 GLU 1.34 -0.21 1 113 VAL 0.94 -0.08 1 114 ASN 0.05 0.03 1 115 SER 0.37 -0.06 1 116 GLU 0.19 -0.03 1 117 THR 0.08 -0.07 1 118 ALA -0.09 0.00 1 119 SER 0.15 -0.09 1 120 ASP 0.31 -0.08 1 121 ASP 0.58 -0.35 1 122 GLU 0.88 -0.20 1 123 SER 1.74 -0.22 1 124 ALA 0.59 -0.18 1 125 PHE 0.10 -0.09 1 126 VAL -0.16 -0.09 1 127 ASN 0.14 -0.08 1 128 GLN 0.17 -0.05 1 129 ASP 0.21 -0.01 1 130 SER 0.21 -0.06 1 131 GLU -0.48 -0.04 1 132 SER -0.38 0.03 1 133 SER -0.38 0.03 1 134 ASP 0.19 -0.02 1 135 ASP 0.22 -0.06 1 136 ASP 0.50 -0.14 1 138 LEU 0.66 -0.09 1 139 LEU -0.08 -0.12 1 140 TYR -0.46 0.02 1 141 LEU -0.19 -0.16 1 143 ASP 0.78 -0.13 1 144 LEU 1.35 -0.14 1 145 GLU 0.73 -0.21 1 146 LYS 0.98 -0.15 1 147 ALA 0.25 -0.09 1 148 ARG 0.26 -0.07 1 149 ASN 0.21 -0.06 1 150 LYS 0.94 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 1.57 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 SER 7.61 -1.74 0 10 ALA -5.18 -3.07 1 11 GLN -4.75 -1.62 1 12 ARG -5.14 0.84 1 14 ASP -2.15 0.08 1 15 LYS -4.95 -2.90 1 16 VAL -3.15 -2.99 1 17 TYR -3.94 -0.43 1 18 LEU -5.08 -2.08 1 19 THR 1.24 -1.13 1 20 VAL -1.29 -0.21 1 21 ALA 0.82 -2.83 1 24 ASP 1.43 -1.83 1 25 ALA -1.20 0.49 1 26 LYS -4.89 -2.22 1 27 ASP 2.21 -1.59 1 28 ILE 1.20 0.83 1 29 SER -1.72 -1.55 1 30 VAL -6.02 -0.88 1 31 LYS -2.92 -2.73 1 35 GLN 4.43 -0.67 1 37 LEU -2.66 -3.24 1 38 PHE -3.92 -0.99 1 39 SER -2.95 -3.68 1 40 PHE -5.91 -1.89 1 41 SER -3.02 -2.77 1 42 ALA -6.36 -2.85 1 43 LEU -4.12 -0.06 1 45 ALA 1.84 1.30 1 46 GLN 2.01 0.39 1 48 GLU -0.91 -2.15 1 49 ARG -0.56 -1.26 1 50 PHE -4.73 -0.76 1 51 GLU -6.88 -1.24 1 52 PHE -0.36 -3.12 1 53 SER -1.83 -1.82 1 54 LEU -4.68 -2.42 1 55 GLU -0.67 -0.55 1 59 LYS 0.66 2.44 1 60 ILE -5.13 -1.41 1 61 MET -0.73 1.37 1 62 THR 3.56 0.79 1 63 GLU 0.54 -0.88 1 64 TYR -4.23 -2.04 1 65 ARG -3.98 -1.01 1 66 LYS -5.90 -2.64 1 67 ASN -2.40 -1.06 1 68 VAL 2.43 -1.31 1 70 LEU 2.21 1.86 1 71 ARG -1.33 -1.58 1 72 ASN -3.57 -2.24 1 73 ILE -4.48 -1.91 1 74 ILE -2.71 -0.84 1 75 PHE -3.04 -0.72 1 76 SER -1.78 -0.89 1 77 ILE -3.64 -1.34 1 78 GLN -1.01 -0.03 1 79 LYS -1.05 -0.02 1 80 GLU 2.19 -0.92 1 81 GLU -5.54 -1.43 1 82 ARG 2.20 -0.56 1 83 SER -0.95 -1.66 1 84 TRP 0.80 0.22 1 85 TRP -2.04 1.49 1 86 THR 3.01 -2.26 1 87 ARG -1.93 -4.49 1 88 LEU 3.79 -0.64 1 89 LEU -2.06 -1.12 1 90 LYS 4.40 2.31 1 91 SER -0.32 0.53 1 92 GLU -0.13 0.22 1 93 GLU -0.68 -0.60 1 98 TYR 1.13 -3.20 1 99 ILE 0.83 -0.80 1 100 LYS -6.30 -1.67 1 101 VAL 1.22 -0.90 1 102 ASP -1.10 -0.33 1 103 TRP 2.57 1.36 1 104 ASN 2.78 0.92 1 105 LYS -2.98 -1.01 1 106 TRP 1.49 -0.25 1 108 ASP -1.42 0.72 1 109 GLU 2.54 0.85 1 110 ASP 1.54 0.03 1 111 GLU -1.55 0.35 1 112 GLU 1.34 0.22 1 113 VAL 0.94 -0.35 1 114 ASN 0.05 0.12 1 115 SER 0.37 -1.00 1 116 GLU 0.19 0.30 1 117 THR 0.08 -0.34 1 118 ALA -0.09 -0.05 1 119 SER 0.15 -0.03 1 120 ASP 0.31 -0.65 1 121 ASP 0.58 0.67 1 122 GLU 0.88 -0.25 1 123 SER 1.74 0.17 1 124 ALA 0.59 -0.26 1 125 PHE 0.10 -0.07 1 126 VAL -0.16 -0.76 1 127 ASN 0.14 -1.17 1 128 GLN 0.17 -0.35 1 129 ASP 0.21 1.05 1 130 SER 0.21 -0.01 1 131 GLU -0.48 -0.14 1 132 SER -0.38 -0.16 1 133 SER -0.38 -0.26 1 134 ASP 0.19 -0.26 1 135 ASP 0.22 -0.14 1 136 ASP 0.50 0.85 1 138 LEU 0.66 -0.25 1 139 LEU -0.08 -0.95 1 140 TYR -0.46 -0.91 1 143 ASP 0.78 0.62 1 144 LEU 1.35 0.51 1 145 GLU 0.73 0.63 1 146 LYS 0.98 0.18 1 147 ALA 0.25 0.00 1 148 ARG 0.26 -0.19 1 149 ASN 0.21 -1.17 1 stop_ save_