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 bmr19654_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.83 _LACS_plot.Line_1_terminator_val_y_1 -1.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 7.20 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 GLN 6.66 1.40 0 59 PHE 4.27 -0.75 0 10 LEU 3.17 1.92 1 11 GLU 3.63 3.03 1 12 ILE 4.33 4.67 1 13 ILE 6.41 5.32 1 14 SER 5.53 4.01 1 15 ARG 4.67 3.50 1 16 TYR 3.68 3.37 1 17 LEU 6.98 4.53 1 18 ARG 5.14 4.23 1 19 GLU 2.50 2.26 1 20 GLN 3.04 2.31 1 21 ALA 0.98 1.90 1 22 THR -0.71 0.56 1 24 ALA -2.83 -1.74 1 25 LYS -0.54 -0.47 1 26 ASP -0.77 -0.47 1 27 THR 0.28 -0.53 1 28 LYS 2.18 0.99 1 30 MET -1.09 -0.17 1 32 ARG 1.55 0.76 1 33 SER 1.39 0.20 1 35 ALA 2.93 2.27 1 36 THR 7.03 5.45 1 37 SER 5.50 4.03 1 38 ARG 5.06 3.92 1 39 LYS 3.18 2.89 1 40 ALA 3.55 3.13 1 41 LEU 3.79 3.07 1 42 GLU 3.46 2.74 1 43 THR 7.43 5.72 1 44 LEU 4.57 3.16 1 45 ARG 4.10 3.62 1 46 ARG 2.92 2.43 1 47 VAL 1.56 1.04 1 49 ASP 3.78 3.59 1 51 VAL 5.47 4.16 1 52 GLN 4.41 4.69 1 53 ARG 3.98 3.09 1 54 ASN 2.19 1.59 1 55 HIS 1.61 0.95 1 56 GLU 4.65 4.76 1 57 THR 6.25 4.45 1 58 ALA 3.58 2.21 1 60 GLN 5.05 3.66 1 62 MET 2.43 3.35 1 63 LEU 2.78 2.55 1 64 ARG 3.68 2.55 1 65 LYS 1.77 0.97 1 66 LEU -0.30 0.34 1 67 ASP 0.55 -0.35 1 68 ILE 1.23 0.42 1 69 LYS -0.94 0.10 1 70 ASN -1.69 -1.12 1 71 GLU 3.13 2.75 1 72 ASP 3.99 2.84 1 73 ASP 1.31 2.14 1 74 VAL 5.12 3.30 1 75 LYS 4.02 2.83 1 76 SER 2.54 1.76 1 77 LEU 2.36 1.66 1 78 SER 5.62 4.04 1 79 ARG 3.82 2.85 1 80 VAL 2.72 2.03 1 81 MET 3.27 2.92 1 82 ILE 3.47 2.55 1 83 HIS 2.51 3.24 1 84 VAL 3.43 2.43 1 85 PHE -0.28 -0.37 1 86 SER 1.85 1.53 1 87 ASP 0.52 -0.17 1 89 VAL 0.75 0.27 1 90 THR 1.94 0.67 1 91 ASN -2.10 -1.35 1 92 TRP 2.16 2.73 1 94 ARG 3.26 2.56 1 95 ILE 5.72 4.41 1 96 VAL 6.95 5.05 1 97 THR 8.95 6.36 1 98 LEU 4.96 3.72 1 99 ILE 5.61 5.16 1 100 SER 5.92 4.99 1 101 PHE 5.07 2.80 1 103 ALA 3.77 3.15 1 104 PHE 4.21 4.56 1 105 VAL 6.33 4.15 1 106 ALA 4.21 3.11 1 107 LYS 5.45 4.26 1 108 HIS 3.78 4.62 1 109 LEU 4.54 1.85 1 110 LYS 3.65 2.77 1 111 THR 5.31 4.12 1 112 ILE 1.81 -0.18 1 113 ASN 3.95 1.55 1 114 GLN -1.06 -1.62 1 115 GLU 3.81 2.97 1 116 SER 3.86 2.29 1 117 SER 1.60 1.92 1 118 ILE 7.21 5.13 1 119 GLU 4.75 3.34 1 121 LEU 4.14 2.73 1 122 ALA 3.99 3.39 1 123 GLU 4.67 3.94 1 124 SER 4.95 3.56 1 125 ILE 9.60 6.88 1 126 THR 3.40 4.12 1 127 ASP 5.70 4.15 1 128 VAL 3.67 3.64 1 129 LEU 5.38 3.80 1 130 VAL 4.15 3.26 1 131 ARG 2.21 2.28 1 132 THR -1.13 -3.19 1 133 LYS 6.10 5.46 1 134 ARG 4.53 3.39 1 135 ASP 5.66 4.87 1 136 TRP 2.65 3.23 1 137 LEU 5.61 4.30 1 138 VAL 4.07 2.72 1 139 LYS 0.84 -1.39 1 141 ARG 2.99 1.82 1 143 TRP 4.29 3.63 1 144 ASP 3.64 2.65 1 146 PHE 4.88 3.88 1 147 VAL 2.69 2.33 1 148 GLU 4.23 3.64 1 149 PHE 1.49 1.38 1 150 PHE 1.96 1.79 1 151 HIS 0.22 -0.09 1 152 VAL -0.37 -0.17 1 153 GLU 0.17 -0.09 1 154 ASP 0.55 0.24 1 155 LEU 0.20 0.23 1 156 GLU -0.20 0.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19654_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.83 _LACS_plot.Line_1_terminator_val_y_1 1.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 -2.40 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 GLN 6.66 -5.26 0 59 PHE 4.27 -5.02 0 10 LEU 3.17 -1.25 1 11 GLU 3.63 -0.60 1 12 ILE 4.33 0.34 1 13 ILE 6.41 -1.09 1 14 SER 5.53 -1.52 1 15 ARG 4.67 -1.17 1 16 TYR 3.68 -0.31 1 17 LEU 6.98 -2.45 1 18 ARG 5.14 -0.91 1 19 GLU 2.50 -0.24 1 20 GLN 3.04 -0.73 1 21 ALA 0.98 0.92 1 22 THR -0.71 1.27 1 24 ALA -2.83 1.09 1 25 LYS -0.54 0.07 1 26 ASP -0.77 0.30 1 27 THR 0.28 -0.81 1 28 LYS 2.18 -1.19 1 30 MET -1.09 0.92 1 32 ARG 1.55 -0.79 1 33 SER 1.39 -1.19 1 35 ALA 2.93 -0.66 1 36 THR 7.03 -1.58 1 37 SER 5.50 -1.47 1 38 ARG 5.06 -1.14 1 39 LYS 3.18 -0.29 1 40 ALA 3.55 -0.42 1 41 LEU 3.79 -0.72 1 42 GLU 3.46 -0.72 1 43 THR 7.43 -1.71 1 44 LEU 4.57 -1.41 1 45 ARG 4.10 -0.48 1 46 ARG 2.92 -0.49 1 47 VAL 1.56 -0.52 1 49 ASP 3.78 -0.19 1 51 VAL 5.47 -1.31 1 52 GLN 4.41 0.28 1 53 ARG 3.98 -0.89 1 54 ASN 2.19 -0.60 1 55 HIS 1.61 -0.66 1 56 GLU 4.65 0.11 1 57 THR 6.25 -1.80 1 58 ALA 3.58 -1.37 1 60 GLN 5.05 -1.39 1 62 MET 2.43 0.92 1 63 LEU 2.78 -0.23 1 64 ARG 3.68 -1.13 1 65 LYS 1.77 -0.80 1 66 LEU -0.30 0.64 1 67 ASP 0.55 -0.90 1 68 ILE 1.23 -0.81 1 69 LYS -0.94 1.04 1 70 ASN -1.69 0.57 1 71 GLU 3.13 -0.38 1 72 ASP 3.99 -1.15 1 73 ASP 1.31 0.83 1 74 VAL 5.12 -1.82 1 75 LYS 4.02 -1.19 1 76 SER 2.54 -0.78 1 77 LEU 2.36 -0.70 1 78 SER 5.62 -1.58 1 79 ARG 3.82 -0.97 1 80 VAL 2.72 -0.69 1 81 MET 3.27 -0.35 1 82 ILE 3.47 -0.92 1 83 HIS 2.51 0.73 1 84 VAL 3.43 -1.00 1 85 PHE -0.28 -0.09 1 86 SER 1.85 -0.32 1 87 ASP 0.52 -0.69 1 89 VAL 0.75 -0.48 1 90 THR 1.94 -1.27 1 91 ASN -2.10 0.75 1 92 TRP 2.16 0.57 1 94 ARG 3.26 -0.70 1 95 ILE 5.72 -1.31 1 96 VAL 6.95 -1.90 1 97 THR 8.95 -2.59 1 98 LEU 4.96 -1.24 1 99 ILE 5.61 -0.45 1 100 SER 5.92 -0.93 1 101 PHE 5.07 -2.27 1 103 ALA 3.77 -0.62 1 104 PHE 4.21 0.35 1 105 VAL 6.33 -2.18 1 106 ALA 4.21 -1.10 1 107 LYS 5.45 -1.19 1 108 HIS 3.78 0.84 1 109 LEU 4.54 -2.69 1 110 LYS 3.65 -0.88 1 111 THR 5.31 -1.19 1 112 ILE 1.81 -1.99 1 113 ASN 3.95 -2.40 1 114 GLN -1.06 -0.56 1 115 GLU 3.81 -0.84 1 116 SER 3.86 -1.57 1 117 SER 1.60 0.32 1 118 ILE 7.21 -2.08 1 119 GLU 4.75 -1.41 1 121 LEU 4.14 -1.41 1 122 ALA 3.99 -0.60 1 123 GLU 4.67 -0.73 1 124 SER 4.95 -1.39 1 125 ILE 9.60 -2.72 1 126 THR 3.40 0.72 1 127 ASP 5.70 -1.55 1 128 VAL 3.67 -0.03 1 129 LEU 5.38 -1.58 1 130 VAL 4.15 -0.89 1 131 ARG 2.21 0.07 1 132 THR -1.13 -2.06 1 133 LYS 6.10 -0.64 1 134 ARG 4.53 -1.14 1 135 ASP 5.66 -0.79 1 136 TRP 2.65 0.58 1 137 LEU 5.61 -1.31 1 138 VAL 4.07 -1.35 1 139 LYS 0.84 -2.23 1 141 ARG 2.99 -1.17 1 143 TRP 4.29 -0.66 1 144 ASP 3.64 -0.99 1 146 PHE 4.88 -1.00 1 147 VAL 2.69 -0.36 1 148 GLU 4.23 -0.59 1 149 PHE 1.49 -0.11 1 150 PHE 1.96 -0.17 1 151 HIS 0.22 -0.31 1 152 VAL -0.37 0.20 1 153 GLU 0.17 -0.26 1 154 ASP 0.55 -0.31 1 155 LEU 0.20 0.03 1 156 GLU -0.20 0.80 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19654_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.83 _LACS_plot.Line_1_terminator_val_y_1 0.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 ASP 3.64 -2.16 0 10 LEU 3.17 -0.21 1 11 GLU 3.63 -0.44 1 12 ILE 4.33 -1.05 1 13 ILE 6.41 -0.87 1 14 SER 5.53 -0.58 1 15 ARG 4.67 -0.31 1 16 TYR 3.68 -0.40 1 17 LEU 6.98 -0.96 1 18 ARG 5.14 -0.48 1 19 GLU 2.50 -0.20 1 20 GLN 3.04 -0.63 1 21 ALA 0.98 -0.34 1 22 THR -0.71 -0.07 1 24 ALA -2.83 0.21 1 25 LYS -0.54 -0.14 1 26 ASP -0.77 -0.02 1 27 THR 0.28 -0.10 1 28 LYS 2.18 -0.17 1 30 MET -1.09 -0.10 1 32 ARG 1.55 -0.10 1 33 SER 1.39 -0.08 1 35 ALA 2.93 -0.13 1 36 THR 7.03 -0.43 1 37 SER 5.50 -0.60 1 38 ARG 5.06 -0.44 1 39 LYS 3.18 -0.17 1 40 ALA 3.55 -0.15 1 41 LEU 3.79 -0.41 1 42 GLU 3.46 -0.37 1 43 THR 7.43 -0.56 1 44 LEU 4.57 -0.64 1 45 ARG 4.10 -0.22 1 46 ARG 2.92 -0.11 1 47 VAL 1.56 -0.03 1 49 ASP 3.78 -0.18 1 51 VAL 5.47 -0.18 1 52 GLN 4.41 -0.43 1 53 ARG 3.98 -0.18 1 54 ASN 2.19 -0.29 1 55 HIS 1.61 -0.23 1 56 GLU 4.65 -0.71 1 57 THR 6.25 -0.37 1 58 ALA 3.58 -0.17 1 59 PHE 4.27 -0.10 1 60 GLN 5.05 -0.11 1 62 MET 2.43 -0.40 1 63 LEU 2.78 -0.20 1 64 ARG 3.68 -0.25 1 65 LYS 1.77 -0.15 1 66 LEU -0.30 -0.11 1 67 ASP 0.55 -0.18 1 68 ILE 1.23 -0.30 1 69 LYS -0.94 0.16 1 70 ASN -1.69 -0.04 1 71 GLU 3.13 -0.38 1 72 ASP 3.99 -0.22 1 73 ASP 1.31 -0.12 1 74 VAL 5.12 -0.41 1 75 LYS 4.02 -0.17 1 76 SER 2.54 -0.02 1 77 LEU 2.36 -0.11 1 78 SER 5.62 -0.51 1 79 ARG 3.82 -0.25 1 80 VAL 2.72 -0.17 1 81 MET 3.27 -0.43 1 82 ILE 3.47 -0.36 1 83 HIS 2.51 -0.32 1 84 VAL 3.43 -0.49 1 85 PHE -0.28 0.11 1 86 SER 1.85 -0.19 1 87 ASP 0.52 -0.15 1 89 VAL 0.75 -0.24 1 90 THR 1.94 -0.69 1 91 ASN -2.10 -0.58 1 92 TRP 2.16 0.08 1 94 ARG 3.26 -0.27 1 95 ILE 5.72 -0.46 1 96 VAL 6.95 -0.40 1 97 THR 8.95 -0.57 1 98 LEU 4.96 -0.53 1 99 ILE 5.61 -0.66 1 100 SER 5.92 -0.02 1 101 PHE 5.07 -1.20 1 103 ALA 3.77 -0.54 1 104 PHE 4.21 -0.63 1 105 VAL 6.33 -0.88 1 106 ALA 4.21 -0.66 1 107 LYS 5.45 -0.59 1 108 HIS 3.78 -0.52 1 109 LEU 4.54 -0.70 1 110 LYS 3.65 -0.38 1 111 THR 5.31 -0.36 1 112 ILE 1.81 0.28 1 113 ASN 3.95 -0.16 1 114 GLN -1.06 0.40 1 115 GLU 3.81 -0.70 1 116 SER 3.86 -0.22 1 117 SER 1.60 -0.01 1 118 ILE 7.21 -0.75 1 119 GLU 4.75 -0.35 1 121 LEU 4.14 -0.58 1 122 ALA 3.99 -0.49 1 123 GLU 4.67 -0.10 1 124 SER 4.95 -0.54 1 125 ILE 9.60 -0.87 1 126 THR 3.40 -0.16 1 127 ASP 5.70 -0.44 1 128 VAL 3.67 -0.52 1 129 LEU 5.38 -0.60 1 130 VAL 4.15 -0.06 1 131 ARG 2.21 0.11 1 132 THR -1.13 0.71 1 133 LYS 6.10 -0.66 1 134 ARG 4.53 -0.40 1 135 ASP 5.66 -0.80 1 136 TRP 2.65 -0.88 1 137 LEU 5.61 -0.53 1 138 VAL 4.07 -0.38 1 139 LYS 0.84 -0.37 1 140 GLN 6.66 -0.44 1 141 ARG 2.99 -0.39 1 143 TRP 4.29 -0.09 1 146 PHE 4.88 -0.82 1 147 VAL 2.69 -0.37 1 148 GLU 4.23 -0.65 1 149 PHE 1.49 -0.37 1 150 PHE 1.96 -0.36 1 151 HIS 0.22 -0.17 1 152 VAL -0.37 -0.19 1 153 GLU 0.17 -0.07 1 154 ASP 0.55 -0.11 1 155 LEU 0.20 -0.13 1 156 GLU -0.20 -0.18 1 stop_ save_