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 bmr19818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 -3.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.69 _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 9.55 _LACS_plot.Line_2_terminator_val_y_2 7.16 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 SER -6.93 2.01 0 10 ARG 5.42 5.20 1 11 GLN 4.28 3.34 1 12 SER 2.08 2.47 1 13 TRP -0.60 1.17 1 14 ARG 4.35 3.55 1 15 VAL 4.77 3.91 1 16 VAL 3.78 2.29 1 17 SER 3.42 2.24 1 18 ARG 2.31 2.22 1 19 SER -0.75 -1.24 1 21 LEU 4.38 3.28 1 22 GLU 4.57 3.69 1 23 HIS 4.53 5.61 1 25 THR 7.64 6.64 1 26 VAL 5.85 4.54 1 27 LEU 5.01 4.95 1 28 PHE 6.36 5.74 1 29 ALA 4.31 3.05 1 30 ARG 2.26 0.76 1 31 LEU 3.77 3.09 1 32 PHE 1.31 -0.50 1 33 ALA 2.92 1.90 1 34 LEU 0.48 1.34 1 35 GLU -1.69 -0.03 1 37 SER 3.29 1.45 1 38 LEU 1.09 0.69 1 39 LEU 8.84 6.62 1 41 LEU 2.89 0.36 1 42 PHE 0.87 0.73 1 43 GLN -1.54 -1.52 1 44 TYR -0.79 0.17 1 45 ASN 2.38 1.49 1 47 ARG -2.96 -1.05 1 48 GLN -3.44 -1.61 1 49 PHE -0.79 -0.78 1 50 SER 1.41 1.57 1 51 SER -0.90 -0.13 1 53 GLU 5.39 3.98 1 54 ASP 1.88 2.71 1 55 SER 5.20 3.50 1 56 LEU 2.73 1.46 1 57 SER -0.91 -0.18 1 58 SER -2.82 -1.69 1 60 GLU 6.94 5.05 1 61 PHE 4.25 6.05 1 62 LEU 4.85 4.17 1 63 ASP 4.20 4.50 1 65 ILE 9.55 8.08 1 66 ARG 5.52 4.76 1 67 LYS 6.44 3.48 1 68 VAL 1.04 2.77 1 69 MET 4.20 1.36 1 70 LEU 3.10 2.43 1 71 VAL 6.75 4.25 1 72 ILE 7.08 3.61 1 73 ASP 1.61 3.99 1 74 ALA 4.39 2.57 1 75 ALA 4.89 2.69 1 76 VAL 6.39 4.58 1 77 THR 5.65 4.75 1 78 ASN 0.36 0.64 1 79 VAL 5.02 3.18 1 80 GLU 1.96 1.58 1 81 ASP 0.86 0.06 1 82 LEU 1.61 1.44 1 83 SER 5.50 4.14 1 84 SER 3.25 2.48 1 85 LEU -2.28 -0.92 1 86 GLU 4.96 5.38 1 87 GLU 4.60 3.72 1 88 TYR 3.84 3.17 1 89 LEU 3.95 3.24 1 90 THR 8.00 7.01 1 91 SER 5.50 4.23 1 92 LEU 2.27 3.27 1 94 ARG 5.65 4.94 1 95 LYS 3.81 3.30 1 96 HIS 5.94 4.31 1 97 ARG 3.49 2.81 1 98 ALA 2.20 0.00 1 99 VAL 1.54 0.21 1 101 VAL -0.15 -0.36 1 102 ARG 4.72 3.08 1 103 LEU 4.71 2.72 1 104 SER 5.50 3.22 1 105 SER 6.87 4.74 1 106 PHE 5.50 3.49 1 107 SER 6.19 3.01 1 108 THR 6.86 4.32 1 109 VAL 3.31 2.74 1 111 GLU 5.50 4.20 1 112 SER 4.18 3.43 1 113 LEU 5.02 3.33 1 114 LEU 4.10 3.74 1 115 TYR 4.70 3.73 1 116 MET 3.00 2.58 1 117 LEU 3.87 3.21 1 118 GLU 2.94 1.33 1 119 LYS 2.41 2.16 1 120 SER -1.14 0.58 1 121 LEU 1.98 1.37 1 124 ASP 1.25 -1.38 1 125 PHE 1.49 0.44 1 126 THR 3.17 2.68 1 128 ALA 7.71 6.02 1 129 THR 5.38 4.22 1 130 ARG 6.08 5.11 1 131 THR 4.26 3.31 1 132 ALA 4.72 4.68 1 133 TRP 5.50 4.48 1 135 ARG 3.98 3.30 1 136 LEU 5.75 5.47 1 137 TYR 3.66 2.90 1 139 ALA 6.01 4.61 1 140 VAL 6.27 4.71 1 141 VAL 5.01 4.03 1 142 GLN 2.57 3.10 1 143 ALA 2.83 4.90 1 144 MET 4.94 4.54 1 145 SER 3.33 2.84 1 146 ARG 1.90 3.16 1 148 TRP 0.45 1.09 1 149 ASP 0.51 1.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 3.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 9.55 _LACS_plot.Line_2_terminator_val_y_2 -2.39 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 SER -6.93 8.94 0 10 ARG 5.42 -0.22 1 11 GLN 4.28 -0.94 1 12 SER 2.08 0.39 1 13 TRP -0.60 1.77 1 14 ARG 4.35 -0.80 1 15 VAL 4.77 -0.86 1 16 VAL 3.78 -1.49 1 17 SER 3.42 -1.18 1 18 ARG 2.31 -0.09 1 19 SER -0.75 -0.49 1 21 LEU 4.38 -1.10 1 22 GLU 4.57 -0.88 1 23 HIS 4.53 1.08 1 25 THR 7.64 -1.00 1 26 VAL 5.85 -1.31 1 27 LEU 5.01 -0.06 1 28 PHE 6.36 -0.62 1 29 ALA 4.31 -1.26 1 30 ARG 2.26 -1.50 1 31 LEU 3.77 -0.68 1 32 PHE 1.31 -1.81 1 33 ALA 2.92 -1.02 1 34 LEU 0.48 0.86 1 35 GLU -1.69 1.66 1 37 SER 3.29 -1.84 1 38 LEU 1.09 -0.40 1 39 LEU 8.84 -2.22 1 41 LEU 2.89 -2.53 1 42 PHE 0.87 -0.14 1 43 GLN -1.54 0.02 1 44 TYR -0.79 0.96 1 45 ASN 2.38 -0.89 1 47 ARG -2.96 1.91 1 48 GLN -3.44 1.83 1 49 PHE -0.79 0.01 1 50 SER 1.41 0.16 1 51 SER -0.90 0.77 1 53 GLU 5.39 -1.41 1 54 ASP 1.88 0.83 1 55 SER 5.20 -1.70 1 56 LEU 2.73 -1.27 1 57 SER -0.91 0.73 1 58 SER -2.82 1.13 1 60 GLU 6.94 -1.89 1 61 PHE 4.25 1.80 1 62 LEU 4.85 -0.68 1 63 ASP 4.20 0.30 1 65 ILE 9.55 -1.47 1 66 ARG 5.52 -0.76 1 67 LYS 6.44 -2.96 1 68 VAL 1.04 1.73 1 69 MET 4.20 -2.84 1 70 LEU 3.10 -0.67 1 71 VAL 6.75 -2.50 1 72 ILE 7.08 -3.47 1 73 ASP 1.61 2.38 1 74 ALA 4.39 -1.82 1 75 ALA 4.89 -2.20 1 76 VAL 6.39 -1.81 1 77 THR 5.65 -0.90 1 78 ASN 0.36 0.28 1 79 VAL 5.02 -1.84 1 80 GLU 1.96 -0.38 1 81 ASP 0.86 -0.80 1 82 LEU 1.61 -0.17 1 83 SER 5.50 -1.36 1 84 SER 3.25 -0.77 1 85 LEU -2.28 1.36 1 86 GLU 4.96 0.42 1 87 GLU 4.60 -0.88 1 88 TYR 3.84 -0.67 1 89 LEU 3.95 -0.71 1 90 THR 8.00 -0.99 1 91 SER 5.50 -1.27 1 92 LEU 2.27 1.00 1 94 ARG 5.65 -0.71 1 95 LYS 3.81 -0.51 1 96 HIS 5.94 -1.63 1 97 ARG 3.49 -0.68 1 98 ALA 2.20 -2.20 1 99 VAL 1.54 -1.33 1 101 VAL -0.15 -0.21 1 102 ARG 4.72 -1.64 1 103 LEU 4.71 -1.99 1 104 SER 5.50 -2.28 1 105 SER 6.87 -2.13 1 106 PHE 5.50 -2.01 1 107 SER 6.19 -3.18 1 108 THR 6.86 -2.54 1 109 VAL 3.31 -0.57 1 111 GLU 5.50 -1.30 1 112 SER 4.18 -0.75 1 113 LEU 5.02 -1.69 1 114 LEU 4.10 -0.36 1 115 TYR 4.70 -0.97 1 116 MET 3.00 -0.42 1 117 LEU 3.87 -0.66 1 118 GLU 2.94 -1.61 1 119 LYS 2.41 -0.25 1 120 SER -1.14 1.72 1 121 LEU 1.98 -0.61 1 124 ASP 1.25 -2.63 1 125 PHE 1.49 -1.05 1 126 THR 3.17 -0.49 1 128 ALA 7.71 -1.69 1 129 THR 5.38 -1.16 1 130 ARG 6.08 -0.97 1 131 THR 4.26 -0.95 1 132 ALA 4.72 -0.04 1 133 TRP 5.50 -1.02 1 135 ARG 3.98 -0.68 1 136 LEU 5.75 -0.28 1 137 TYR 3.66 -0.76 1 139 ALA 6.01 -1.40 1 140 VAL 6.27 -1.56 1 141 VAL 5.01 -0.98 1 142 GLN 2.57 0.53 1 143 ALA 2.83 2.07 1 144 MET 4.94 -0.40 1 145 SER 3.33 -0.49 1 146 ARG 1.90 1.26 1 148 TRP 0.45 0.64 1 149 ASP 0.51 1.39 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 0.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 9.55 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 ILE 9.55 0.93 0 55 SER 5.20 -2.18 0 61 PHE 4.25 1.70 0 134 SER -6.93 0.08 0 10 ARG 5.42 -0.48 1 11 GLN 4.28 -0.20 1 12 SER 2.08 0.02 1 13 TRP -0.60 0.12 1 14 ARG 4.35 -0.46 1 15 VAL 4.77 -0.57 1 16 VAL 3.78 -1.33 1 17 SER 3.42 0.31 1 18 ARG 2.31 -0.16 1 19 SER -0.75 -0.77 1 21 LEU 4.38 0.03 1 22 GLU 4.57 -0.17 1 23 HIS 4.53 -0.26 1 25 THR 7.64 0.04 1 26 VAL 5.85 -0.34 1 27 LEU 5.01 -0.64 1 28 PHE 6.36 -1.26 1 29 ALA 4.31 -0.16 1 30 ARG 2.26 -0.51 1 31 LEU 3.77 -0.98 1 32 PHE 1.31 -0.34 1 33 ALA 2.92 -0.24 1 34 LEU 0.48 -0.34 1 35 GLU -1.69 -0.17 1 37 SER 3.29 -0.49 1 38 LEU 1.09 -0.70 1 39 LEU 8.84 -0.93 1 41 LEU 2.89 -0.89 1 42 PHE 0.87 -0.67 1 43 GLN -1.54 0.27 1 44 TYR -0.79 0.34 1 45 ASN 2.38 0.04 1 47 ARG -2.96 0.25 1 48 GLN -3.44 0.00 1 49 PHE -0.79 0.32 1 50 SER 1.41 -0.10 1 51 SER -0.90 -0.02 1 53 GLU 5.39 -0.45 1 54 ASP 1.88 -0.26 1 56 LEU 2.73 0.00 1 57 SER -0.91 0.34 1 58 SER -2.82 0.69 1 60 GLU 6.94 0.31 1 62 LEU 4.85 0.62 1 63 ASP 4.20 0.77 1 66 ARG 5.52 -0.33 1 67 LYS 6.44 -1.36 1 68 VAL 1.04 -1.43 1 69 MET 4.20 -0.11 1 70 LEU 3.10 -0.32 1 71 VAL 6.75 -0.90 1 72 ILE 7.08 -0.87 1 73 ASP 1.61 -0.65 1 74 ALA 4.39 -0.37 1 75 ALA 4.89 -0.66 1 76 VAL 6.39 -1.19 1 77 THR 5.65 -0.56 1 78 ASN 0.36 0.07 1 79 VAL 5.02 0.02 1 80 GLU 1.96 -0.22 1 81 ASP 0.86 0.01 1 82 LEU 1.61 -0.22 1 83 SER 5.50 0.31 1 84 SER 3.25 -0.16 1 85 LEU -2.28 0.30 1 86 GLU 4.96 -0.47 1 87 GLU 4.60 -0.16 1 88 TYR 3.84 -0.31 1 89 LEU 3.95 -0.13 1 90 THR 8.00 0.28 1 91 SER 5.50 0.02 1 92 LEU 2.27 0.65 1 94 ARG 5.65 0.13 1 95 LYS 3.81 0.35 1 96 HIS 5.94 0.40 1 97 ARG 3.49 0.01 1 98 ALA 2.20 -0.19 1 99 VAL 1.54 -0.99 1 101 VAL -0.15 0.30 1 102 ARG 4.72 -0.64 1 103 LEU 4.71 0.31 1 104 SER 5.50 -0.12 1 105 SER 6.87 -0.70 1 106 PHE 5.50 0.31 1 107 SER 6.19 -0.64 1 108 THR 6.86 -1.41 1 109 VAL 3.31 -0.43 1 111 GLU 5.50 -0.62 1 112 SER 4.18 -0.64 1 113 LEU 5.02 -0.55 1 114 LEU 4.10 -0.54 1 115 TYR 4.70 -0.89 1 116 MET 3.00 -0.98 1 117 LEU 3.87 -1.13 1 118 GLU 2.94 -0.50 1 119 LYS 2.41 -0.27 1 120 SER -1.14 0.04 1 121 LEU 1.98 0.14 1 124 ASP 1.25 0.18 1 125 PHE 1.49 0.00 1 126 THR 3.17 -0.20 1 128 ALA 7.71 -0.10 1 129 THR 5.38 -0.66 1 130 ARG 6.08 -0.49 1 131 THR 4.26 -0.29 1 132 ALA 4.72 -0.61 1 133 TRP 5.50 -0.07 1 135 ARG 3.98 -0.23 1 136 LEU 5.75 -0.61 1 137 TYR 3.66 -0.03 1 139 ALA 6.01 -0.42 1 140 VAL 6.27 -0.31 1 141 VAL 5.01 -0.18 1 142 GLN 2.57 0.16 1 143 ALA 2.83 0.59 1 144 MET 4.94 0.51 1 145 SER 3.33 0.36 1 146 ARG 1.90 0.24 1 148 TRP 0.45 0.32 1 149 ASP 0.51 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19818_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 -1.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _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 9.55 _LACS_plot.Line_2_terminator_val_y_2 3.43 _LACS_plot.Y_axis_chem_shift_offset -0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LEU 2.27 6.90 0 134 SER -6.93 -1.07 0 10 ARG 5.42 3.67 1 11 GLN 4.28 2.72 1 12 SER 2.08 2.27 1 13 TRP -0.60 1.78 1 14 ARG 4.35 1.92 1 15 VAL 4.77 2.29 1 16 VAL 3.78 1.47 1 17 SER 3.42 -0.28 1 18 ARG 2.31 1.35 1 21 LEU 4.38 2.30 1 22 GLU 4.57 3.41 1 23 HIS 4.53 4.26 1 25 THR 7.64 1.63 1 26 VAL 5.85 2.20 1 27 LEU 5.01 1.39 1 28 PHE 6.36 0.22 1 29 ALA 4.31 3.57 1 30 ARG 2.26 0.47 1 31 LEU 3.77 0.69 1 32 PHE 1.31 1.97 1 33 ALA 2.92 2.23 1 34 LEU 0.48 0.65 1 37 SER 3.29 0.33 1 38 LEU 1.09 0.00 1 41 LEU 2.89 -0.58 1 42 PHE 0.87 -1.37 1 43 GLN -1.54 -0.53 1 45 ASN 2.38 0.16 1 47 ARG -2.96 -1.50 1 48 GLN -3.44 0.63 1 49 PHE -0.79 0.78 1 50 SER 1.41 -0.42 1 53 GLU 5.39 2.26 1 54 ASP 1.88 2.29 1 55 SER 5.20 0.30 1 56 LEU 2.73 -0.35 1 57 SER -0.91 -0.02 1 60 GLU 6.94 4.22 1 61 PHE 4.25 5.49 1 62 LEU 4.85 3.00 1 63 ASP 4.20 4.92 1 65 ILE 9.55 2.52 1 66 ARG 5.52 3.00 1 67 LYS 6.44 0.76 1 68 VAL 1.04 1.43 1 69 MET 4.20 3.14 1 70 LEU 3.10 2.46 1 71 VAL 6.75 1.24 1 72 ILE 7.08 0.82 1 73 ASP 1.61 1.91 1 74 ALA 4.39 2.47 1 75 ALA 4.89 -0.27 1 76 VAL 6.39 3.76 1 77 THR 5.65 0.52 1 78 ASN 0.36 -0.17 1 79 VAL 5.02 -1.34 1 80 GLU 1.96 0.62 1 81 ASP 0.86 -0.26 1 82 LEU 1.61 1.98 1 83 SER 5.50 2.83 1 84 SER 3.25 0.83 1 85 LEU -2.28 -0.55 1 86 GLU 4.96 1.85 1 87 GLU 4.60 2.84 1 88 TYR 3.84 2.72 1 89 LEU 3.95 2.61 1 90 THR 8.00 2.67 1 91 SER 5.50 3.03 1 94 ARG 5.65 4.26 1 95 LYS 3.81 3.68 1 96 HIS 5.94 4.65 1 97 ARG 3.49 1.98 1 98 ALA 2.20 -1.17 1 99 VAL 1.54 0.09 1 101 VAL -0.15 0.31 1 102 ARG 4.72 3.27 1 103 LEU 4.71 3.09 1 104 SER 5.50 1.12 1 105 SER 6.87 4.76 1 106 PHE 5.50 2.00 1 107 SER 6.19 3.78 1 108 THR 6.86 0.32 1 109 VAL 3.31 3.60 1 111 GLU 5.50 0.32 1 112 SER 4.18 0.13 1 113 LEU 5.02 1.18 1 114 LEU 4.10 0.47 1 115 TYR 4.70 2.53 1 116 MET 3.00 -0.18 1 117 LEU 3.87 3.14 1 118 GLU 2.94 2.10 1 119 LYS 2.41 1.66 1 120 SER -1.14 1.65 1 121 LEU 1.98 0.57 1 124 ASP 1.25 -2.01 1 125 PHE 3.17 2.95 1 128 ALA 7.71 0.77 1 129 THR 5.38 2.35 1 130 ARG 6.08 1.51 1 131 THR 4.26 2.14 1 132 ALA 4.72 2.85 1 133 TRP 5.50 3.38 1 135 ARG 3.98 0.59 1 136 LEU 5.75 1.38 1 137 TYR 3.66 3.20 1 139 ALA 6.01 2.08 1 140 VAL 6.27 2.47 1 141 VAL 5.01 3.69 1 142 GLN 2.57 2.85 1 143 ALA 2.83 4.62 1 144 MET 4.94 2.45 1 145 SER 3.33 3.27 1 146 ARG 1.90 0.00 1 148 TRP 0.45 0.65 1 stop_ save_