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 bmr15247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 5.77 _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 138 LEU 5.26 0.93 0 80 SER 4.03 0.04 0 10 HIS -5.28 -1.88 1 11 PHE -4.35 -0.51 1 12 GLU -0.27 -0.79 1 14 LEU 2.09 0.21 1 15 GLN 0.62 2.98 1 16 ARG 2.04 2.26 1 17 VAL 2.00 0.57 1 18 ALA -1.33 -0.92 1 19 VAL 5.26 4.00 1 21 ALA 2.31 1.78 1 22 ALA 4.21 2.92 1 23 LEU 2.99 3.18 1 24 LEU 2.28 2.02 1 25 SER 0.78 1.36 1 26 MET -2.12 0.31 1 28 VAL -5.27 -2.87 1 29 ARG -5.52 -2.68 1 30 THR 4.94 3.46 1 32 ASP 0.24 0.51 1 33 THR 1.84 0.92 1 34 VAL -4.35 -2.40 1 35 ASN -4.44 -2.13 1 36 ASP 4.69 4.23 1 37 GLU 3.76 2.78 1 38 ASP 2.82 3.33 1 39 ILE 7.26 5.39 1 40 SER 5.49 4.13 1 41 ASN 3.66 2.78 1 42 THR 5.19 5.57 1 43 ILE 4.72 4.19 1 44 ARG 3.03 2.76 1 45 ALA 3.14 2.91 1 46 LEU 5.78 5.14 1 47 PHE 2.89 1.88 1 48 ALA 0.75 2.20 1 49 THR 0.18 1.30 1 51 ASN -3.63 -0.66 1 52 PHE -2.08 0.16 1 53 GLU -3.97 0.13 1 54 ASP -3.11 0.08 1 55 VAL -3.79 -1.26 1 56 ARG -2.26 -1.16 1 57 VAL -4.05 -1.38 1 58 LEU -0.38 -0.08 1 59 ARG -2.33 -1.41 1 60 ASP -0.28 -0.07 1 62 ASP -1.87 -0.50 1 63 THR -3.63 -1.43 1 64 LEU -2.81 -1.62 1 65 LEU -0.25 -1.31 1 66 VAL -3.02 -1.84 1 67 GLN -6.85 -4.21 1 68 VAL -3.65 -1.45 1 69 LYS 0.46 0.92 1 70 GLU -1.07 0.06 1 73 THR 2.21 1.54 1 74 ILE -1.06 0.74 1 75 ALA -1.17 -0.63 1 76 SER -2.36 -0.10 1 77 ILE -4.04 -1.57 1 78 THR -4.23 -1.40 1 79 PHE -2.41 -0.57 1 82 ASN 1.66 2.03 1 83 LYS 2.17 1.69 1 84 SER -2.79 -0.91 1 85 VAL -0.17 0.41 1 86 LYS 3.97 3.30 1 87 ASP 4.44 3.43 1 88 ASP 2.64 2.91 1 89 MET 3.17 2.66 1 90 LEU 4.63 4.37 1 91 LYS 4.32 3.32 1 92 GLN 3.97 4.82 1 93 ASN 4.24 2.94 1 94 LEU 4.36 3.59 1 95 GLU 3.24 2.08 1 96 ALA -0.05 0.11 1 97 SER 2.05 0.11 1 99 VAL -5.68 -2.39 1 100 ARG 4.46 3.14 1 101 VAL -3.20 -2.22 1 103 GLU -1.04 -0.21 1 104 SER -4.00 -1.73 1 105 LEU -1.49 -2.21 1 106 ASP 4.25 3.44 1 107 ARG 3.27 2.61 1 108 THR -0.14 0.01 1 109 THR 5.15 3.41 1 110 ILE 3.47 2.39 1 111 ALA 3.68 3.01 1 112 ASP 4.44 3.41 1 113 ILE 3.70 3.55 1 114 GLU 3.47 2.76 1 115 LYS 1.58 2.65 1 117 LEU 4.53 4.05 1 118 GLU 4.02 3.34 1 119 ASP 3.10 3.55 1 120 PHE 4.20 4.95 1 121 TYR 3.30 3.21 1 122 TYR 3.52 3.05 1 123 SER 2.56 1.82 1 124 VAL 4.62 0.83 1 126 LYS -3.81 -0.97 1 127 TYR -0.53 0.15 1 128 SER -4.43 -0.96 1 129 ALA -3.37 -1.97 1 130 SER -2.49 -1.34 1 131 VAL -5.68 -3.06 1 132 LYS -2.40 -1.66 1 133 ALA -0.34 0.26 1 134 VAL -0.62 -0.86 1 135 VAL -0.96 -0.10 1 136 THR -3.85 -1.01 1 140 ARG 1.97 0.36 1 141 ASN -6.33 -2.02 1 142 ARG -6.47 -3.36 1 143 VAL -3.10 -0.61 1 144 ASP -3.66 -1.53 1 145 LEU -3.57 -2.14 1 146 LYS -2.20 -2.26 1 147 LEU -0.39 -0.47 1 148 VAL -2.12 -0.91 1 149 PHE -1.95 -1.24 1 150 GLN 0.23 0.88 1 151 GLU -0.69 -0.38 1 153 VAL -0.45 -0.37 1 154 SER 0.15 0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 -1.48 _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 138 LEU 5.26 -4.33 0 80 SER 4.03 -3.99 0 10 HIS -5.28 3.40 1 11 PHE -4.35 3.84 1 12 GLU -0.27 -0.52 1 14 LEU 2.09 -1.88 1 15 GLN 0.62 2.36 1 16 ARG 2.04 0.22 1 17 VAL 2.00 -1.43 1 18 ALA -1.33 0.41 1 19 VAL 5.26 -1.26 1 21 ALA 2.31 -0.53 1 22 ALA 4.21 -1.29 1 23 LEU 2.99 0.19 1 24 LEU 2.28 -0.26 1 25 SER 0.78 0.58 1 26 MET -2.12 2.43 1 28 VAL -5.27 2.40 1 29 ARG -5.52 2.84 1 30 THR 4.94 -1.48 1 32 ASP 0.24 0.27 1 33 THR 1.84 -0.92 1 34 VAL -4.35 1.95 1 35 ASN -4.44 2.31 1 36 ASP 4.69 -0.46 1 37 GLU 3.76 -0.98 1 38 ASP 2.82 0.51 1 39 ILE 7.26 -1.87 1 40 SER 5.49 -1.36 1 41 ASN 3.66 -0.88 1 42 THR 5.19 0.38 1 43 ILE 4.72 -0.53 1 44 ARG 3.03 -0.27 1 45 ALA 3.14 -0.23 1 46 LEU 5.78 -0.64 1 47 PHE 2.89 -1.01 1 48 ALA 0.75 1.45 1 49 THR 0.18 1.12 1 51 ASN -3.63 2.97 1 52 PHE -2.08 2.24 1 53 GLU -3.97 4.10 1 54 ASP -3.11 3.19 1 55 VAL -3.79 2.53 1 56 ARG -2.26 1.10 1 57 VAL -4.05 2.67 1 58 LEU -0.38 0.30 1 59 ARG -2.33 0.92 1 60 ASP -0.28 0.21 1 62 ASP -1.87 1.37 1 63 THR -3.63 2.20 1 64 LEU -2.81 1.19 1 65 LEU -0.25 -1.06 1 66 VAL -3.02 1.18 1 67 GLN -6.85 2.64 1 68 VAL -3.65 2.20 1 69 LYS 0.46 0.46 1 70 GLU -1.07 1.13 1 73 THR 2.21 -0.67 1 74 ILE -1.06 1.80 1 75 ALA -1.17 0.54 1 76 SER -2.36 2.26 1 77 ILE -4.04 2.47 1 78 THR -4.23 2.83 1 79 PHE -2.41 1.84 1 82 ASN 1.66 0.37 1 83 LYS 2.17 -0.48 1 84 SER -2.79 1.88 1 85 VAL -0.17 0.58 1 86 LYS 3.97 -0.67 1 87 ASP 4.44 -1.01 1 88 ASP 2.64 0.27 1 89 MET 3.17 -0.51 1 90 LEU 4.63 -0.26 1 91 LYS 4.32 -1.00 1 92 GLN 3.97 0.85 1 93 ASN 4.24 -1.30 1 94 LEU 4.36 -0.77 1 95 GLU 3.24 -1.16 1 96 ALA -0.05 0.16 1 97 SER 2.05 -1.94 1 99 VAL -5.68 3.29 1 100 ARG 4.46 -1.32 1 101 VAL -3.20 0.98 1 103 GLU -1.04 0.83 1 104 SER -4.00 2.27 1 105 LEU -1.49 -0.72 1 106 ASP 4.25 -0.81 1 107 ARG 3.27 -0.66 1 108 THR -0.14 0.15 1 109 THR 5.15 -1.74 1 110 ILE 3.47 -1.08 1 111 ALA 3.68 -0.67 1 112 ASP 4.44 -1.03 1 113 ILE 3.70 -0.15 1 114 GLU 3.47 -0.71 1 115 LYS 1.58 1.07 1 117 LEU 4.53 -0.48 1 118 GLU 4.02 -0.68 1 119 ASP 3.10 0.45 1 120 PHE 4.20 0.75 1 121 TYR 3.30 -0.09 1 122 TYR 3.52 -0.47 1 123 SER 2.56 -0.74 1 124 VAL 4.62 -3.79 1 126 LYS -3.81 2.84 1 127 TYR -0.53 0.68 1 128 SER -4.43 3.47 1 129 ALA -3.37 1.40 1 130 SER -2.49 1.15 1 131 VAL -5.68 2.62 1 132 LYS -2.40 0.74 1 133 ALA -0.34 0.60 1 134 VAL -0.62 -0.24 1 135 VAL -0.96 0.86 1 136 THR -3.85 2.84 1 140 ARG 1.97 -1.61 1 141 ASN -6.33 4.31 1 142 ARG -6.47 3.11 1 143 VAL -3.10 2.49 1 144 ASP -3.66 2.13 1 145 LEU -3.57 1.43 1 146 LYS -2.20 -0.06 1 147 LEU -0.39 -0.08 1 148 VAL -2.12 1.21 1 149 PHE -1.95 0.71 1 150 GLN 0.23 0.65 1 151 GLU -0.69 0.31 1 153 VAL -0.45 0.08 1 154 SER 0.15 -0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 0.82 _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 0.29 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 86 LYS 3.97 -1.08 0 10 HIS -5.28 0.42 1 11 PHE -4.35 0.88 1 12 GLU -0.27 -0.09 1 14 LEU 2.09 0.14 1 15 GLN 0.62 0.00 1 16 ARG 2.04 -0.09 1 17 VAL 2.00 -0.41 1 18 ALA -1.33 -0.02 1 19 VAL 5.26 -0.95 1 21 ALA 2.31 -0.10 1 22 ALA 4.21 -0.33 1 23 LEU 2.99 -0.02 1 24 LEU 2.28 -0.10 1 25 SER 0.78 -0.01 1 26 MET -2.12 -0.09 1 28 VAL -5.27 0.42 1 29 ARG -5.52 0.26 1 30 THR 4.94 -0.73 1 32 ASP 0.24 0.01 1 33 THR 1.84 0.25 1 34 VAL -4.35 0.60 1 35 ASN -4.44 0.44 1 36 ASP 4.69 -0.24 1 37 GLU 3.76 -0.15 1 38 ASP 2.82 -0.10 1 39 ILE 7.26 -0.66 1 40 SER 5.49 -0.36 1 41 ASN 3.66 -0.11 1 42 THR 5.19 -0.69 1 43 ILE 4.72 -0.09 1 44 ARG 3.03 -0.03 1 45 ALA 3.14 0.12 1 46 LEU 5.78 0.02 1 47 PHE 2.89 0.06 1 48 ALA 0.75 -0.08 1 49 THR 0.18 -0.28 1 51 ASN -3.63 0.79 1 52 PHE -2.08 0.36 1 53 GLU -3.97 0.50 1 54 ASP -3.11 0.13 1 55 VAL -3.79 0.28 1 56 ARG -2.26 0.88 1 57 VAL -4.05 0.37 1 58 LEU -0.38 0.21 1 59 ARG -2.33 0.14 1 60 ASP -0.28 0.31 1 62 ASP -1.87 0.59 1 63 THR -3.63 0.56 1 64 LEU -2.81 0.43 1 65 LEU -0.25 0.37 1 66 VAL -3.02 0.82 1 67 GLN -6.85 1.01 1 68 VAL -3.65 0.64 1 69 LYS 0.46 0.12 1 70 GLU -1.07 0.15 1 73 THR 2.21 -0.11 1 74 ILE -1.06 0.20 1 75 ALA -1.17 0.00 1 76 SER -2.36 0.85 1 77 ILE -4.04 0.06 1 78 THR -4.23 1.09 1 79 PHE -2.41 0.58 1 80 SER 4.03 -0.16 1 82 ASN 1.66 -0.19 1 83 LYS 2.17 -0.15 1 84 SER -2.79 -0.13 1 85 VAL -0.17 -0.13 1 87 ASP 4.44 -0.36 1 88 ASP 2.64 -0.23 1 89 MET 3.17 -0.56 1 90 LEU 4.63 -0.28 1 91 LYS 4.32 -0.17 1 92 GLN 3.97 -0.59 1 93 ASN 4.24 -0.29 1 94 LEU 4.36 -0.59 1 95 GLU 3.24 -0.07 1 96 ALA -0.05 0.19 1 97 SER 2.05 -0.18 1 99 VAL -5.68 0.21 1 100 ARG 4.46 -0.69 1 101 VAL -3.20 0.37 1 103 GLU -1.04 0.50 1 104 SER -4.00 0.26 1 105 LEU -1.49 0.12 1 106 ASP 4.25 -0.45 1 107 ARG 3.27 0.06 1 108 THR -0.14 0.03 1 109 THR 5.15 -0.49 1 110 ILE 3.47 0.18 1 111 ALA 3.68 -0.10 1 112 ASP 4.44 -0.29 1 113 ILE 3.70 -0.77 1 114 GLU 3.47 -0.15 1 115 LYS 1.58 0.20 1 117 LEU 4.53 -0.36 1 118 GLU 4.02 0.02 1 119 ASP 3.10 -0.16 1 120 PHE 4.20 -0.95 1 121 TYR 3.30 -0.21 1 122 TYR 3.52 -0.38 1 123 SER 2.56 -0.26 1 124 VAL 4.62 -0.91 1 126 LYS -3.81 0.29 1 127 TYR -0.53 0.23 1 128 SER -4.43 0.75 1 129 ALA -3.37 0.45 1 130 SER -2.49 0.43 1 131 VAL -5.68 0.42 1 132 LYS -2.40 0.75 1 133 ALA -0.34 0.02 1 134 VAL -0.62 0.63 1 135 VAL -0.96 0.33 1 136 THR -3.85 0.19 1 138 LEU 5.26 -0.45 1 140 ARG 1.97 -0.10 1 141 ASN -6.33 1.26 1 142 ARG -6.47 1.19 1 143 VAL -3.10 0.15 1 144 ASP -3.66 0.59 1 145 LEU -3.57 0.74 1 146 LYS -2.20 0.55 1 147 LEU -0.39 0.59 1 148 VAL -2.12 0.33 1 149 PHE -1.95 0.47 1 150 GLN 0.23 -0.17 1 151 GLU -0.69 0.15 1 153 VAL -0.45 -0.04 1 154 SER 0.15 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 3.25 _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 97 SER 2.05 -3.64 0 10 HIS -5.28 -1.62 1 11 PHE -4.35 0.51 1 12 GLU -0.27 -1.02 1 14 LEU 2.09 0.85 1 15 GLN 0.62 -0.72 1 16 ARG 2.04 1.33 1 17 VAL 2.00 -1.40 1 18 ALA -1.33 0.93 1 19 VAL 5.26 1.05 1 21 ALA 2.31 2.60 1 22 ALA 4.21 2.29 1 23 LEU 2.99 2.90 1 24 LEU 2.28 1.15 1 25 SER 0.78 -0.79 1 28 VAL -5.27 -3.25 1 29 ARG -5.52 -0.87 1 30 THR 4.94 0.81 1 32 ASP 0.24 -0.83 1 33 THR 1.84 -0.15 1 34 VAL -4.35 -2.15 1 35 ASN -4.44 1.19 1 36 ASP 4.69 2.90 1 37 GLU 3.76 2.12 1 38 ASP 2.82 4.09 1 39 ILE 7.26 1.42 1 40 SER 5.49 3.17 1 41 ASN 3.66 2.82 1 42 THR 5.19 1.37 1 43 ILE 4.72 3.07 1 44 ARG 3.03 3.24 1 45 ALA 3.14 3.74 1 46 LEU 5.78 4.41 1 47 PHE 2.89 0.55 1 48 ALA 0.75 1.65 1 49 THR 0.18 1.44 1 51 ASN -3.63 -0.97 1 52 PHE -2.08 -0.85 1 53 GLU -3.97 -2.34 1 54 ASP -3.11 -3.33 1 55 VAL -3.79 -2.05 1 56 ARG -2.26 -2.77 1 57 VAL -4.05 -2.82 1 58 LEU -0.38 -0.94 1 59 ARG -2.33 0.02 1 60 ASP -0.28 -1.90 1 62 ASP -1.87 -1.39 1 63 THR -3.63 -4.39 1 64 LEU -2.81 -3.40 1 65 LEU -0.25 -1.74 1 66 VAL -3.02 0.15 1 67 GLN -6.85 -1.44 1 68 VAL -3.65 1.09 1 69 LYS 0.46 1.24 1 70 GLU -1.07 -0.10 1 73 THR 2.21 -0.35 1 74 ILE -1.06 -0.71 1 75 ALA -1.17 -3.09 1 76 SER -2.36 -1.44 1 77 ILE -4.04 -2.93 1 78 THR -4.23 0.07 1 79 PHE -2.41 -0.02 1 80 SER 4.03 -0.58 1 82 ASN 1.66 2.12 1 83 LYS 2.17 -1.62 1 84 SER -2.79 -2.29 1 85 VAL -0.17 0.73 1 86 LYS 3.97 1.31 1 87 ASP 4.44 2.46 1 88 ASP 2.64 2.29 1 89 MET 3.17 0.83 1 90 LEU 4.63 2.38 1 91 LYS 4.32 2.43 1 92 GLN 3.97 2.60 1 93 ASN 4.24 2.10 1 94 LEU 4.36 3.63 1 95 GLU 3.24 1.05 1 96 ALA -0.05 -0.66 1 99 VAL -5.68 -1.76 1 100 ARG 4.46 0.86 1 101 VAL -3.20 -0.97 1 103 GLU -1.04 -0.71 1 104 SER -4.00 -2.77 1 105 LEU -1.49 1.02 1 106 ASP 4.25 1.26 1 107 ARG 3.27 1.58 1 108 THR -0.14 0.86 1 109 THR 5.15 0.42 1 110 ILE 3.47 2.73 1 111 ALA 3.68 3.59 1 112 ASP 4.44 2.59 1 113 ILE 3.70 1.64 1 114 GLU 3.47 2.71 1 115 LYS 1.58 1.63 1 117 LEU 4.53 3.66 1 118 GLU 4.02 2.70 1 119 ASP 3.10 1.64 1 120 PHE 4.20 2.50 1 121 TYR 3.30 2.50 1 122 TYR 3.52 1.01 1 123 SER 2.56 0.93 1 124 VAL 4.62 -1.65 1 126 LYS -3.81 -0.67 1 127 TYR -0.53 -0.82 1 128 SER -4.43 -1.57 1 129 ALA -3.37 -0.45 1 130 SER -2.49 -2.57 1 131 VAL -5.68 -1.75 1 132 LYS -2.40 -0.94 1 133 ALA -0.34 -0.70 1 134 VAL -0.62 -0.28 1 135 VAL 5.26 -0.14 1 140 ARG 1.97 -1.11 1 141 ASN -6.33 0.06 1 142 ARG -6.47 -1.58 1 143 VAL -3.10 -2.06 1 144 ASP -3.66 -4.38 1 145 LEU -3.57 -2.49 1 146 LYS -2.20 -3.75 1 147 LEU -0.39 -0.56 1 148 VAL -2.12 -0.32 1 149 PHE -1.95 -0.07 1 150 GLN 0.23 0.81 1 151 GLU -0.69 -0.52 1 153 VAL -0.45 -0.02 1 154 SER 0.15 -1.21 1 stop_ save_