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 bmr19169_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 -2.20 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.93 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 7.62 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 PHE -7.02 -1.82 0 34 MET -6.59 -1.14 0 82 VAL 9.89 7.61 0 11 ALA -0.04 -0.30 1 12 VAL -3.50 -1.31 1 13 SER -0.89 -1.12 1 14 LEU -3.46 -1.62 1 15 LYS -3.74 -1.64 1 16 ASN -3.87 -2.69 1 17 ILE 3.45 3.15 1 18 GLU -0.15 -0.62 1 20 LYS -1.26 -1.21 1 21 THR 2.87 2.10 1 22 VAL -3.37 -1.13 1 23 GLN -2.01 -2.11 1 24 THR 5.39 3.97 1 25 ASN 4.00 1.04 1 26 LYS -0.78 -2.08 1 27 LEU 0.05 0.09 1 28 GLU -4.14 -1.57 1 29 ASN -1.09 -0.93 1 30 ALA 2.41 0.50 1 32 LYS 0.64 -0.97 1 35 ILE -3.75 -1.27 1 36 ILE -2.95 -1.43 1 37 SER -4.17 -2.20 1 38 PHE -2.05 0.12 1 40 ALA -5.71 -1.60 1 41 THR 3.89 3.64 1 42 ASN 0.04 -1.43 1 44 LYS 4.72 2.46 1 47 LEU 4.37 3.03 1 48 ARG 6.01 2.85 1 49 GLU 4.15 2.76 1 50 LEU 3.21 2.35 1 51 LYS 4.21 2.61 1 52 ALA 3.86 3.21 1 53 ILE 5.71 3.74 1 54 GLN 2.13 2.14 1 55 GLU -2.31 -1.73 1 56 VAL 3.03 2.88 1 57 TYR 4.37 2.69 1 58 ALA 4.46 3.00 1 59 ASP 2.29 1.90 1 60 TRP 4.73 5.22 1 61 GLN 3.34 3.25 1 62 ASP 1.37 2.39 1 63 GLU -3.37 0.45 1 64 THR 0.03 -1.22 1 66 VAL -4.98 -2.08 1 67 ARG -3.32 -0.50 1 68 LEU -1.96 -0.69 1 69 ILE -3.31 -3.00 1 70 ALA -1.19 -1.42 1 71 VAL -1.23 -2.13 1 72 SER 0.60 -1.00 1 73 ILE 1.22 1.56 1 74 ASP -4.15 -1.58 1 75 GLU 3.44 2.17 1 77 GLN 3.29 2.25 1 78 ASN 3.16 2.27 1 79 ALA 2.63 1.55 1 80 GLN 0.70 0.65 1 81 LYS 6.87 5.06 1 83 LYS 3.21 2.91 1 85 LEU 2.30 2.27 1 86 ALA 3.67 2.39 1 87 ASP -0.66 0.26 1 89 ASN -2.38 -1.75 1 91 TRP -1.70 -1.74 1 92 GLU -3.72 -3.99 1 93 TYR -0.17 -0.05 1 94 GLU -1.33 -1.46 1 95 VAL -4.49 -2.63 1 96 LEU 0.11 -1.28 1 97 LEU -2.07 -1.70 1 98 ASP 2.68 2.04 1 99 SER -1.93 -0.81 1 100 ASN 2.89 3.75 1 102 ASP 1.70 0.48 1 103 PHE 4.75 3.43 1 104 LYS 3.96 3.54 1 105 ARG 2.90 2.09 1 106 ALA -0.31 -1.84 1 107 MET 2.49 0.84 1 108 ASN 1.64 0.53 1 109 VAL -0.39 -0.56 1 110 SER -1.02 -0.08 1 111 LEU -1.88 -0.75 1 112 ILE -4.11 -0.68 1 114 ALA -4.84 -2.17 1 115 VAL -5.12 -1.70 1 116 PHE -2.01 -0.33 1 117 ILE -4.14 -2.75 1 118 VAL -2.39 -1.72 1 119 ASP -1.45 -0.67 1 121 ASN -1.43 -1.52 1 123 LYS 2.52 1.38 1 124 ILE -1.76 -1.68 1 125 VAL -4.05 0.03 1 126 TYR -5.11 -1.27 1 127 ASN -2.56 0.95 1 128 HIS -1.99 -1.18 1 129 THR -2.32 0.87 1 131 TYR -3.10 -2.24 1 132 THR 2.88 2.14 1 133 GLU 4.88 2.36 1 136 GLU 2.89 2.15 1 137 ALA 1.62 1.72 1 138 GLU 2.85 1.64 1 139 LEU 0.11 -2.26 1 140 ILE 4.59 4.00 1 141 LYS 3.76 0.93 1 142 LYS 6.85 5.25 1 143 VAL 4.94 4.26 1 144 ARG 2.65 2.35 1 145 GLU 1.84 1.78 1 146 LEU 2.06 1.17 1 147 VAL 2.42 1.77 1 148 LYS 0.76 0.61 1 149 GLU 0.49 0.47 1 151 HIS 0.11 0.60 1 155 HIS 1.47 2.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19169_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 4.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 -2.27 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 PHE -7.02 5.20 0 34 MET -6.59 5.45 0 82 VAL 9.89 -2.28 0 11 ALA -0.04 -0.26 1 12 VAL -3.50 2.19 1 13 SER -0.89 -0.23 1 14 LEU -3.46 1.84 1 15 LYS -3.74 2.10 1 16 ASN -3.87 1.18 1 17 ILE 3.45 -0.30 1 18 GLU -0.15 -0.47 1 20 LYS -1.26 0.05 1 21 THR 2.87 -0.77 1 22 VAL -3.37 2.24 1 23 GLN -2.01 -0.10 1 24 THR 5.39 -1.42 1 25 ASN 4.00 -2.96 1 26 LYS -0.78 -1.30 1 27 LEU 0.05 0.04 1 28 GLU -4.14 2.57 1 29 ASN -1.09 0.16 1 30 ALA 2.41 -1.91 1 32 LYS 0.64 -1.61 1 35 ILE -3.75 2.48 1 36 ILE -2.95 1.52 1 37 SER -4.17 1.97 1 38 PHE -2.05 2.17 1 40 ALA -5.71 4.11 1 41 THR 3.89 -0.25 1 42 ASN 0.04 -1.47 1 44 LYS 4.72 -2.26 1 47 LEU 4.37 -1.34 1 48 ARG 6.01 -3.16 1 49 GLU 4.15 -1.39 1 50 LEU 3.21 -0.86 1 51 LYS 4.21 -1.60 1 52 ALA 3.86 -0.65 1 53 ILE 5.71 -1.97 1 54 GLN 2.13 0.01 1 55 GLU -2.31 0.58 1 56 VAL 3.03 -0.15 1 57 TYR 4.37 -1.68 1 58 ALA 4.46 -1.46 1 59 ASP 2.29 -0.39 1 60 TRP 4.73 0.49 1 61 GLN 3.34 -0.09 1 62 ASP 1.37 1.02 1 63 GLU -3.37 3.82 1 64 THR 0.03 -1.25 1 66 VAL -4.98 2.90 1 67 ARG -3.32 2.82 1 68 LEU -1.96 1.27 1 69 ILE -3.31 0.31 1 70 ALA -1.19 -0.23 1 71 VAL -1.23 -0.90 1 72 SER 0.60 -1.60 1 73 ILE 1.22 0.34 1 74 ASP -4.15 2.57 1 75 GLU 3.44 -1.27 1 77 GLN 3.29 -1.04 1 78 ASN 3.16 -0.89 1 79 ALA 2.63 -1.08 1 80 GLN 0.70 -0.05 1 81 LYS 6.87 -1.81 1 83 LYS 3.21 -0.30 1 85 LEU 2.30 -0.03 1 86 ALA 3.67 -1.28 1 87 ASP -0.66 0.92 1 89 ASN -2.38 0.63 1 91 TRP -1.70 -0.04 1 92 GLU -3.72 -0.27 1 93 TYR -0.17 0.12 1 94 GLU -1.33 -0.13 1 95 VAL -4.49 1.86 1 96 LEU 0.11 -1.39 1 97 LEU -2.07 0.37 1 98 ASP 2.68 -0.64 1 99 SER -1.93 1.12 1 100 ASN 2.89 0.86 1 102 ASP 1.70 -1.22 1 103 PHE 4.75 -1.32 1 104 LYS 3.96 -0.42 1 105 ARG 2.90 -0.81 1 106 ALA -0.31 -1.53 1 107 MET 2.49 -1.65 1 108 ASN 1.64 -1.11 1 109 VAL -0.39 -0.17 1 110 SER -1.02 0.94 1 111 LEU -1.88 1.13 1 112 ILE -4.11 3.43 1 114 ALA -4.84 2.67 1 115 VAL -5.12 3.42 1 116 PHE -2.01 1.68 1 117 ILE -4.14 1.39 1 118 VAL -2.39 0.67 1 119 ASP -1.45 0.78 1 121 ASN -1.43 -0.09 1 123 LYS 2.52 -1.14 1 124 ILE -1.76 0.08 1 125 VAL -4.05 4.08 1 126 TYR -5.11 3.84 1 127 ASN -2.56 3.51 1 128 HIS -1.99 0.81 1 129 THR -2.32 3.19 1 131 TYR -3.10 0.86 1 132 THR 2.88 -0.74 1 133 GLU 4.88 -2.52 1 136 GLU 2.89 -0.74 1 137 ALA 1.62 0.10 1 138 GLU 2.85 -1.21 1 139 LEU 0.11 -2.37 1 140 ILE 4.59 -0.59 1 141 LYS 3.76 -2.83 1 142 LYS 6.85 -1.60 1 143 VAL 4.94 -0.68 1 144 ARG 2.65 -0.30 1 145 GLU 1.84 -0.06 1 146 LEU 2.06 -0.89 1 147 VAL 2.42 -0.65 1 148 LYS 0.76 -0.15 1 149 GLU 0.49 -0.02 1 151 HIS 0.11 0.49 1 155 HIS 1.47 0.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19169_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 VAL 9.89 -0.45 0 85 LEU 2.30 -1.58 0 11 ALA -0.04 -0.10 1 12 VAL -3.50 0.10 1 13 SER -0.89 0.77 1 14 LEU -3.46 0.55 1 15 LYS -3.74 1.06 1 16 ASN -3.87 0.94 1 17 ILE 3.45 0.02 1 18 GLU -0.15 0.15 1 20 LYS -1.26 0.12 1 21 THR 2.87 0.13 1 22 VAL -3.37 0.04 1 23 GLN -2.01 0.71 1 24 THR 5.39 -0.88 1 25 ASN 4.00 -0.24 1 26 LYS -0.78 0.00 1 27 LEU 0.05 -0.02 1 28 GLU -4.14 0.30 1 29 ASN -1.09 0.30 1 30 ALA 2.41 -0.20 1 32 LYS 0.64 0.28 1 34 MET -6.59 0.78 1 35 ILE -3.75 0.77 1 36 ILE -2.95 1.03 1 37 SER -4.17 1.17 1 38 PHE -2.05 0.99 1 39 PHE -7.02 1.05 1 40 ALA -5.71 0.38 1 41 THR 3.89 -0.39 1 42 ASN 0.04 0.10 1 44 LYS 4.72 -0.30 1 47 LEU 4.37 -0.28 1 48 ARG 6.01 -1.03 1 49 GLU 4.15 -0.75 1 50 LEU 3.21 0.07 1 51 LYS 4.21 -0.24 1 52 ALA 3.86 -1.17 1 53 ILE 5.71 -0.76 1 54 GLN 2.13 -0.29 1 55 GLU -2.31 0.50 1 56 VAL 3.03 -0.90 1 57 TYR 4.37 -0.23 1 58 ALA 4.46 -0.14 1 59 ASP 2.29 -0.19 1 60 TRP 4.73 -0.51 1 61 GLN 3.34 -0.28 1 62 ASP 1.37 -0.23 1 63 GLU -3.37 0.23 1 64 THR 0.03 0.04 1 66 VAL -4.98 0.90 1 67 ARG -3.32 1.12 1 68 LEU -1.96 0.47 1 69 ILE -3.31 0.72 1 70 ALA -1.19 0.36 1 71 VAL -1.23 -0.60 1 72 SER 0.60 0.70 1 73 ILE 1.22 -0.44 1 74 ASP -4.15 0.33 1 75 GLU 3.44 -0.14 1 77 GLN 3.29 -0.29 1 78 ASN 3.16 -0.43 1 79 ALA 2.63 -0.13 1 80 GLN 0.70 -0.14 1 81 LYS 6.87 -0.72 1 83 LYS 3.21 -0.42 1 86 ALA 3.67 -0.36 1 87 ASP -0.66 -0.14 1 89 ASN -2.38 -0.45 1 91 TRP -1.70 0.21 1 92 GLU -3.72 0.04 1 93 TYR -0.17 0.33 1 94 GLU -1.33 1.41 1 95 VAL -4.49 0.60 1 96 LEU 0.11 0.31 1 97 LEU -2.07 0.74 1 98 ASP 2.68 0.01 1 99 SER -1.93 0.39 1 100 ASN 2.89 -0.28 1 102 ASP 1.70 0.12 1 103 PHE 4.75 -1.08 1 104 LYS 3.96 -0.18 1 105 ARG 2.90 -0.17 1 106 ALA -0.31 -0.20 1 107 MET 2.49 -0.53 1 108 ASN 1.64 -0.39 1 109 VAL -0.39 -0.15 1 110 SER -1.02 0.00 1 111 LEU -1.88 0.16 1 112 ILE -4.11 0.85 1 114 ALA -4.84 1.47 1 115 VAL -5.12 1.00 1 116 PHE -2.01 0.96 1 117 ILE -4.14 0.89 1 118 VAL -2.39 -0.22 1 119 ASP -1.45 0.19 1 121 ASN -1.43 0.26 1 123 LYS 2.52 0.26 1 124 ILE -1.76 0.53 1 125 VAL -4.05 0.27 1 126 TYR -5.11 0.42 1 127 ASN -2.56 -0.26 1 128 HIS -1.99 0.69 1 129 THR -2.32 0.38 1 131 TYR -3.10 -0.25 1 132 THR 2.88 -0.54 1 133 GLU 4.88 0.06 1 136 GLU 2.89 -0.03 1 137 ALA 1.62 -0.46 1 138 GLU 2.85 -0.70 1 139 LEU 0.11 -0.72 1 140 ILE 4.59 -0.49 1 141 LYS 3.76 -0.27 1 142 LYS 6.85 -0.80 1 143 VAL 4.94 -0.63 1 144 ARG 2.65 -0.36 1 145 GLU 1.84 -0.14 1 146 LEU 2.06 0.02 1 147 VAL 2.42 -0.17 1 148 LYS 0.76 -0.11 1 149 GLU 0.11 -0.08 1 155 HIS 1.47 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19169_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 3.24 _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 64 THR 0.03 -5.46 0 16 ASN -3.87 3.90 0 82 VAL 9.89 -0.21 0 11 ALA -0.04 -2.89 1 12 VAL -3.50 -2.14 1 13 SER -0.89 -1.24 1 14 LEU -3.46 -2.59 1 15 LYS -3.74 0.37 1 17 ILE 3.45 -0.13 1 18 GLU -0.15 0.16 1 20 LYS -1.26 -0.58 1 21 THR 2.87 -0.71 1 22 VAL -3.37 -2.63 1 23 GLN -2.01 3.04 1 24 THR 5.39 -0.22 1 25 ASN 4.00 -0.23 1 26 LYS -0.78 -0.13 1 27 LEU 0.05 -1.86 1 28 GLU -4.14 -1.60 1 29 ASN -1.09 -0.09 1 30 ALA 2.41 -0.71 1 32 LYS 0.64 -0.60 1 34 MET -6.59 -2.12 1 35 ILE -3.75 -2.15 1 36 ILE -2.95 -1.24 1 37 SER -4.17 -0.45 1 38 PHE -2.05 0.39 1 39 PHE -7.02 -5.20 1 40 ALA -5.71 1.16 1 41 THR 3.89 -0.60 1 42 ASN 0.04 -0.83 1 44 LYS 4.72 2.35 1 47 LEU 4.37 2.42 1 48 ARG 6.01 0.90 1 49 GLU 4.15 2.12 1 50 LEU 3.21 0.70 1 51 LYS 4.21 4.02 1 52 ALA 3.86 0.43 1 53 ILE 5.71 2.01 1 54 GLN 2.13 0.94 1 55 GLU -2.31 -0.35 1 56 VAL 3.03 0.76 1 57 TYR 4.37 2.80 1 58 ALA 4.46 2.86 1 59 ASP 2.29 5.04 1 60 TRP 4.73 3.03 1 61 GLN 3.34 1.17 1 62 ASP 1.37 1.66 1 63 GLU -3.37 0.35 1 66 VAL -4.98 -3.08 1 67 ARG -3.32 -2.96 1 68 LEU -1.96 -3.34 1 69 ILE -3.31 -2.42 1 70 ALA -1.19 -1.93 1 71 VAL -1.23 1.83 1 72 SER 0.60 -0.13 1 73 ILE 1.22 -1.81 1 74 ASP -4.15 1.38 1 75 GLU 3.44 2.30 1 77 GLN 3.29 1.92 1 78 ASN 3.16 1.82 1 79 ALA 2.63 0.70 1 80 GLN 0.70 1.12 1 81 LYS 6.87 -0.05 1 83 LYS 3.21 0.29 1 85 LEU 2.30 1.93 1 86 ALA 3.67 4.13 1 87 ASP -0.66 0.17 1 89 ASN -2.38 1.99 1 91 TRP -1.70 -0.51 1 92 GLU -3.72 -0.83 1 93 TYR -0.17 -1.46 1 94 GLU -1.33 -1.18 1 95 VAL -4.49 -2.14 1 96 LEU 0.11 -2.16 1 97 LEU -2.07 2.85 1 98 ASP 2.68 0.31 1 99 SER -1.93 1.10 1 100 ASN 2.89 2.93 1 102 ASP 1.70 1.36 1 103 PHE 4.75 1.90 1 104 LYS 3.96 4.41 1 105 ARG 2.90 1.17 1 106 ALA -0.31 -1.40 1 107 MET 2.49 -0.81 1 108 ASN 1.64 -0.92 1 109 VAL -0.39 -1.22 1 110 SER -1.02 -2.39 1 111 LEU -1.88 -1.09 1 112 ILE -4.11 -2.67 1 114 ALA -4.84 -2.79 1 115 VAL -5.12 0.04 1 116 PHE -2.01 -2.37 1 117 ILE -4.14 -0.43 1 118 VAL -2.39 1.63 1 119 ASP -1.45 0.38 1 121 ASN -1.43 -0.11 1 123 LYS 2.52 0.90 1 124 ILE -1.76 -1.14 1 125 VAL -4.05 -2.92 1 126 TYR -5.11 -3.02 1 127 ASN -2.56 -0.81 1 128 HIS -1.99 -0.64 1 129 THR -2.32 -2.04 1 131 TYR -3.10 -3.28 1 132 THR 2.88 0.75 1 133 GLU 4.88 0.38 1 136 GLU 2.89 2.31 1 137 ALA 1.62 1.72 1 138 GLU 2.85 0.26 1 139 LEU 0.11 -0.31 1 140 ILE 4.59 2.09 1 141 LYS 3.76 2.01 1 142 LYS 6.85 1.29 1 143 VAL 4.94 2.62 1 144 ARG 2.65 2.13 1 145 GLU 1.84 2.01 1 146 LEU 2.06 0.79 1 147 VAL 2.42 1.02 1 148 LYS 0.76 0.82 1 149 GLU 0.49 0.46 1 151 HIS 0.11 -0.54 1 155 HIS 1.47 4.75 1 stop_ save_