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 bmr5947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 -3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 3.84 _LACS_plot.Y_axis_chem_shift_offset -0.92 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 ARG 2.34 5.47 0 32 LEU 2.30 -1.47 0 15 GLU -0.72 0.35 1 17 GLN -4.58 -0.69 1 18 VAL -0.25 1.06 1 19 ARG -0.64 -0.11 1 20 VAL -1.21 0.10 1 22 ASP -3.65 -0.83 1 23 LEU -1.26 1.13 1 24 THR -0.24 0.76 1 25 VAL -5.80 -1.63 1 26 ALA -4.17 -1.38 1 27 LYS -7.40 -2.22 1 28 THR -2.41 -1.23 1 29 ARG 4.90 4.57 1 31 GLN -0.28 1.14 1 33 THR -1.71 -1.23 1 34 ASP 2.51 3.51 1 35 ALA 3.37 2.17 1 36 ALA -0.23 1.05 1 38 ILE 3.37 1.03 1 41 VAL -2.42 -0.22 1 42 THR 0.29 1.89 1 43 VAL -3.81 -0.07 1 44 GLN -3.32 0.19 1 45 ALA -5.97 -1.27 1 46 LEU -2.29 -0.08 1 49 ASN 4.50 4.12 1 50 ALA -2.44 -1.38 1 51 ARG -7.76 -2.54 1 52 GLN -1.93 -0.16 1 53 VAL 2.52 2.79 1 54 ALA -7.47 -0.77 1 55 LEU -6.02 -1.38 1 56 LYS -3.59 -1.35 1 57 ALA -2.52 -1.03 1 58 ASP 0.26 1.43 1 59 THR 4.70 4.23 1 60 ASP 1.82 0.39 1 61 ASN -4.40 1.05 1 62 PHE -3.18 0.10 1 63 GLU -2.94 -0.45 1 64 GLN 3.27 1.83 1 66 LYS -3.16 -0.49 1 67 PHE -2.99 0.53 1 68 PHE -1.98 -1.21 1 69 LEU -0.80 1.20 1 70 ILE -9.40 -4.25 1 71 SER -0.73 -0.99 1 72 ASP 3.65 3.20 1 73 ASN 1.27 0.09 1 74 ASN 2.92 2.75 1 75 ARG -0.29 2.23 1 76 ASP 0.72 2.47 1 77 LYS -4.61 -0.54 1 78 LEU -4.28 -1.73 1 79 TYR 3.24 3.53 1 80 VAL -6.32 -2.14 1 81 ASN -4.77 -0.55 1 82 ILE -1.79 -1.08 1 85 MET 4.27 1.75 1 86 ASP -1.01 -0.81 1 87 ASN 2.92 2.20 1 88 SER -0.50 0.82 1 89 ALA -0.26 1.07 1 90 TRP -3.45 -0.35 1 91 THR -1.41 1.08 1 92 THR 0.39 0.91 1 93 ASP -2.89 -0.09 1 94 ASN 2.36 2.08 1 96 VAL -1.54 -1.20 1 97 PHE -4.66 -1.44 1 98 TYR -7.19 -2.63 1 99 LYS 1.52 1.66 1 100 ASN 4.34 3.16 1 101 ASP -4.86 -1.70 1 102 VAL -1.18 -0.39 1 104 SER 1.56 1.18 1 105 TRP 0.38 2.77 1 108 THR -3.91 -1.42 1 109 ILE -2.50 -2.51 1 111 ILE -0.95 -0.78 1 112 TYR -5.04 -0.93 1 113 VAL 5.27 4.45 1 114 ASP -1.55 -0.99 1 116 GLN 3.85 3.30 1 117 GLN -3.01 0.56 1 118 THR 2.09 1.62 1 119 ASN 0.04 -0.16 1 120 THR 1.58 3.26 1 124 ASN -2.55 -0.33 1 125 TYR -3.93 -0.44 1 126 THR -3.28 0.19 1 127 LEU -4.78 0.66 1 128 THR 0.04 1.01 1 129 LEU -6.96 -1.79 1 130 THR -0.51 1.35 1 133 TYR -5.58 -2.54 1 134 TRP -5.34 -1.69 1 135 ALA -3.61 -0.81 1 136 LYS 1.35 1.67 1 137 ASP 0.80 0.73 1 138 ASN 0.49 1.01 1 139 LYS 2.52 1.94 1 140 GLN 1.10 1.36 1 142 PHE -1.35 1.07 1 143 THR -1.92 -0.20 1 145 SER 2.36 0.55 1 147 THR -4.18 -1.69 1 148 THR -1.22 0.82 1 150 THR 0.12 1.35 1 151 THR 1.00 1.26 1 152 LYS -2.86 -0.75 1 153 LEU -5.98 -2.33 1 154 THR -0.06 1.08 1 155 VAL -1.35 -0.06 1 156 THR -0.33 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 6.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.84 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.92 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 ARG 2.34 3.13 0 32 LEU 2.30 -3.77 0 15 GLU -0.72 1.07 1 17 GLN -4.58 3.89 1 18 VAL -0.25 1.31 1 19 ARG -0.64 0.53 1 20 VAL -1.21 1.31 1 22 ASP -3.65 2.82 1 23 LEU -1.26 2.39 1 24 THR -0.24 1.00 1 25 VAL -5.80 4.17 1 26 ALA -4.17 2.79 1 27 LYS -7.40 5.18 1 28 THR -2.41 1.18 1 29 ARG 4.90 -0.33 1 31 GLN -0.28 1.42 1 33 THR -1.71 0.48 1 34 ASP 2.51 1.00 1 35 ALA 3.37 -1.20 1 36 ALA -0.23 1.28 1 38 ILE 3.37 -2.34 1 41 VAL -2.42 2.20 1 42 THR 0.29 1.60 1 43 VAL -3.81 3.74 1 44 GLN -3.32 3.51 1 45 ALA -5.97 4.70 1 46 LEU -2.29 2.21 1 49 ASN 4.50 -0.38 1 50 ALA -2.44 1.06 1 51 ARG -7.76 5.22 1 52 GLN -1.93 1.77 1 53 VAL 2.52 0.27 1 54 ALA -7.47 6.70 1 55 LEU -6.02 4.64 1 56 LYS -3.59 2.24 1 57 ALA -2.52 1.49 1 58 ASP 0.26 1.17 1 59 THR 4.70 -0.47 1 60 ASP 1.82 -1.43 1 61 ASN -4.40 5.45 1 62 PHE -3.18 3.28 1 63 GLU -2.94 2.49 1 64 GLN 3.27 -1.44 1 66 LYS -3.16 2.67 1 67 PHE -2.99 3.52 1 68 PHE -1.98 0.77 1 69 LEU -0.80 2.00 1 70 ILE -9.40 5.15 1 71 SER -0.73 -0.26 1 72 ASP 3.65 -0.45 1 73 ASN 1.27 -1.18 1 74 ASN 2.92 -0.17 1 75 ARG -0.29 2.52 1 76 ASP 0.72 1.75 1 77 LYS -4.61 4.07 1 78 LEU -4.28 2.55 1 79 TYR 3.24 0.29 1 80 VAL -6.32 4.18 1 81 ASN -4.77 4.22 1 82 ILE -1.79 0.71 1 85 MET 4.27 -2.52 1 86 ASP -1.01 0.20 1 87 ASN 2.92 -0.72 1 88 SER -0.50 1.32 1 89 ALA -0.26 1.33 1 90 TRP -3.45 3.10 1 91 THR -1.41 2.49 1 92 THR 0.39 0.52 1 93 ASP -2.89 2.80 1 94 ASN 2.36 -0.28 1 96 VAL -1.54 0.34 1 97 PHE -4.66 3.22 1 98 TYR -7.19 4.56 1 99 LYS 1.52 0.14 1 100 ASN 4.34 -1.18 1 101 ASP -4.86 3.16 1 102 VAL -1.18 0.79 1 104 SER 1.56 -0.38 1 105 TRP 0.38 2.39 1 108 THR -3.91 2.49 1 109 ILE -2.50 -0.01 1 111 ILE -0.95 0.17 1 112 TYR -5.04 4.11 1 113 VAL 5.27 -0.82 1 114 ASP -1.55 0.56 1 116 GLN 3.85 -0.55 1 117 GLN -3.01 3.57 1 118 THR 2.09 -0.47 1 119 ASN 0.04 -0.20 1 120 THR 1.58 1.68 1 124 ASN -2.55 2.22 1 125 TYR -3.93 3.49 1 126 THR -3.28 3.47 1 127 LEU -4.78 5.44 1 128 THR 0.04 0.97 1 129 LEU -6.96 5.17 1 130 THR -0.51 1.86 1 133 TYR -5.58 3.04 1 134 TRP -5.34 3.65 1 135 ALA -3.61 2.80 1 136 LYS 1.35 0.32 1 137 ASP 0.80 -0.07 1 138 ASN 0.49 0.52 1 139 LYS 2.52 -0.58 1 140 GLN 1.10 0.26 1 142 PHE -1.35 2.42 1 143 THR -1.92 1.72 1 145 SER 2.36 -1.81 1 147 THR -4.18 2.49 1 148 THR -1.22 2.04 1 150 THR 0.12 1.23 1 151 THR 1.00 0.26 1 152 LYS -2.86 2.11 1 153 LEU -5.98 3.65 1 154 THR -0.06 1.14 1 155 VAL -1.35 1.29 1 156 THR -0.33 1.59 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 1.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 -0.48 _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 99 LYS 1.52 -1.64 0 15 GLU -0.72 -0.13 1 17 GLN -4.58 0.40 1 18 VAL -0.25 0.51 1 19 ARG -0.64 0.57 1 20 VAL -1.21 0.38 1 22 ASP -3.65 0.41 1 23 LEU -1.26 0.26 1 24 THR -0.24 0.94 1 25 VAL -5.80 0.54 1 26 ALA -4.17 1.20 1 27 LYS -7.40 0.56 1 28 THR -2.41 0.75 1 29 ARG 4.90 -0.64 1 31 GLN -0.28 0.01 1 32 LEU 2.30 0.05 1 33 THR -1.71 -0.28 1 34 ASP 2.51 -0.77 1 35 ALA 3.37 -0.28 1 36 ALA -0.23 -0.05 1 38 ILE 3.37 -0.26 1 41 VAL -2.42 -0.05 1 42 THR 0.29 -0.01 1 43 VAL -3.81 0.84 1 44 GLN -3.32 0.43 1 45 ALA -5.97 1.32 1 46 LEU -2.29 0.34 1 49 ASN 4.50 -0.45 1 50 ALA -2.44 0.20 1 51 ARG -7.76 0.52 1 52 GLN -1.93 0.33 1 53 VAL 2.52 -0.18 1 54 ALA -7.47 1.34 1 55 LEU -6.02 1.03 1 56 LYS -3.59 0.57 1 57 ALA -2.52 1.01 1 58 ASP 0.26 -0.05 1 59 THR 4.70 -0.28 1 60 ASP 1.82 0.11 1 61 ASN -4.40 -0.41 1 62 PHE -3.18 0.49 1 63 GLU -2.94 0.07 1 64 GLN 3.27 -0.44 1 66 LYS -3.16 0.45 1 67 PHE -2.99 0.68 1 68 PHE -1.98 0.68 1 69 LEU -0.80 0.25 1 70 ILE -9.40 1.24 1 71 SER -0.73 -0.16 1 72 ASP 3.65 -0.24 1 73 ASN 1.27 -0.20 1 74 ASN 2.92 -0.43 1 75 ARG -0.29 0.11 1 76 ASP 0.72 0.06 1 77 LYS -4.61 0.79 1 78 LEU -4.28 0.39 1 79 TYR 3.24 0.29 1 80 VAL -6.32 1.17 1 81 ASN -4.77 0.43 1 82 ILE -1.79 0.80 1 83 ARG 2.34 0.28 1 85 MET 4.27 0.14 1 86 ASP -1.01 0.20 1 87 ASN 2.92 -0.10 1 88 SER -0.50 -0.65 1 89 ALA -0.26 0.34 1 90 TRP -3.45 0.06 1 91 THR -1.41 -0.21 1 92 THR 0.39 0.90 1 93 ASP -2.89 0.05 1 94 ASN 2.36 -0.66 1 96 VAL -1.54 0.52 1 97 PHE -4.66 1.00 1 98 TYR -7.19 1.16 1 100 ASN 4.34 -0.78 1 101 ASP -4.86 0.31 1 102 VAL -1.18 -0.08 1 104 SER 1.56 -0.43 1 105 TRP 0.38 -0.10 1 108 THR -3.91 0.83 1 109 ILE -2.50 0.32 1 111 ILE -0.95 0.33 1 112 TYR -5.04 0.50 1 113 VAL 5.27 -0.60 1 114 ASP -1.55 0.28 1 116 GLN 3.85 -0.29 1 117 GLN -3.01 0.22 1 118 THR 2.09 0.15 1 119 ASN 0.04 0.11 1 120 THR 1.58 -0.50 1 124 ASN -2.55 0.87 1 125 TYR -3.93 0.40 1 126 THR -3.28 1.48 1 127 LEU -4.78 0.37 1 128 THR 0.04 0.69 1 129 LEU -6.96 0.64 1 130 THR -0.51 0.60 1 133 TYR -5.58 1.19 1 134 TRP -5.34 0.21 1 135 ALA -3.61 0.07 1 136 LYS 1.35 -0.39 1 137 ASP 0.80 -0.20 1 138 ASN 0.49 -0.21 1 139 LYS 2.52 -0.29 1 140 GLN 1.10 -0.26 1 142 PHE -1.35 0.08 1 145 SER 2.36 -0.03 1 147 THR -4.18 0.69 1 148 THR -1.22 0.95 1 150 THR 0.12 0.58 1 151 THR 1.00 0.93 1 152 LYS -2.86 0.64 1 153 LEU -5.98 1.07 1 154 THR -0.06 0.80 1 155 VAL -1.35 1.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 0.13 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 THR -2.41 2.85 0 17 GLN -4.58 -1.74 1 18 VAL -0.25 -1.81 1 19 ARG -0.64 -0.45 1 20 VAL -1.21 -0.80 1 22 ASP -3.65 0.37 1 23 LEU -1.26 -3.23 1 24 THR -0.24 -1.17 1 25 VAL -5.80 -4.14 1 26 ALA -4.17 -1.25 1 27 LYS -7.40 -0.66 1 29 ARG 4.90 1.94 1 31 GLN -0.28 1.38 1 32 LEU 2.30 -2.48 1 33 THR -1.71 -0.75 1 34 ASP 2.51 0.99 1 35 ALA 3.37 -1.85 1 36 ALA -0.23 0.35 1 38 ILE 3.37 -1.04 1 41 VAL -2.42 1.06 1 42 THR 0.29 -0.99 1 43 VAL -3.81 -1.46 1 44 GLN -3.32 -2.50 1 45 ALA -5.97 -1.64 1 46 LEU -2.29 -1.38 1 49 ASN 4.50 0.08 1 50 ALA -2.44 -1.32 1 51 ARG -7.76 -2.14 1 52 GLN -1.93 -1.11 1 53 VAL 2.52 -3.18 1 54 ALA -7.47 -3.57 1 55 LEU -6.02 -2.64 1 56 LYS -3.59 0.10 1 57 ALA -2.52 -0.94 1 58 ASP 0.26 0.89 1 59 THR 4.70 0.47 1 60 ASP 1.82 -2.64 1 61 ASN -4.40 -2.82 1 62 PHE -3.18 -1.54 1 63 GLU -2.94 -1.60 1 64 GLN 3.27 -0.60 1 66 LYS -3.16 -1.79 1 67 PHE -2.99 0.50 1 68 PHE -1.98 -1.50 1 69 LEU -0.80 -1.40 1 70 ILE -9.40 -1.73 1 71 SER -0.73 2.07 1 72 ASP 3.65 0.66 1 73 ASN 1.27 0.66 1 74 ASN 2.92 -2.08 1 75 ARG -0.29 -0.36 1 76 ASP 0.72 -2.35 1 77 LYS -4.61 -2.20 1 78 LEU -4.28 -1.92 1 79 TYR 3.24 1.78 1 80 VAL -6.32 -2.07 1 81 ASN -4.77 -1.49 1 82 ILE -1.79 -1.89 1 83 ARG 2.34 -1.33 1 85 MET 4.27 -0.14 1 86 ASP -1.01 0.37 1 87 ASN 2.92 -0.79 1 88 SER -0.50 -0.77 1 89 ALA -0.26 -1.31 1 90 TRP -3.45 -0.20 1 91 THR -1.41 -3.45 1 92 THR 0.39 -0.28 1 93 ASP -2.89 0.09 1 94 ASN 2.36 -1.67 1 96 VAL -1.54 -3.20 1 97 PHE -4.66 -1.36 1 98 TYR -7.19 -4.30 1 99 LYS 1.52 0.80 1 100 ASN 4.34 -0.55 1 101 ASP -4.86 -0.82 1 102 VAL -1.18 0.30 1 104 SER 1.56 -1.14 1 105 TRP 0.38 -2.93 1 108 THR -3.91 -1.01 1 111 ILE -0.95 -0.64 1 112 TYR -5.04 -1.09 1 113 VAL 5.27 -0.03 1 114 ASP -1.55 -2.51 1 116 GLN 3.85 1.56 1 117 GLN -3.01 0.93 1 118 THR 2.09 0.52 1 119 ASN 0.04 0.32 1 120 THR 1.58 -1.79 1 124 ASN -2.55 -1.89 1 125 TYR -3.93 -0.12 1 126 THR -3.28 -0.52 1 127 LEU -4.78 -3.73 1 128 THR 0.04 -1.88 1 130 THR -0.51 -0.10 1 133 TYR -5.58 -2.89 1 134 TRP -5.34 -1.68 1 135 ALA -3.61 -1.78 1 136 LYS 1.35 0.08 1 137 ASP 0.80 -0.68 1 138 ASN 0.49 -0.06 1 139 LYS 2.52 -0.01 1 140 GLN 1.10 0.33 1 142 PHE -1.35 -1.21 1 143 THR -1.92 -3.17 1 145 SER 2.36 0.18 1 147 THR -4.18 -1.55 1 148 THR -1.22 -0.56 1 150 THR 0.12 0.28 1 151 THR 1.00 -1.96 1 152 LYS -2.86 -2.91 1 153 LEU -5.98 -1.87 1 154 THR -0.06 -1.25 1 155 VAL -1.35 0.17 1 stop_ save_