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 bmr15574_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 -2.90 _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 -1.79 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 5.94 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 MET 4.62 0.69 0 34 THR 3.89 5.80 0 84 SER 1.07 3.92 0 10 ALA -0.09 0.07 1 11 LEU 0.92 0.68 1 12 THR -0.34 -0.11 1 13 SER 0.22 0.43 1 15 ARG 3.60 2.73 1 16 GLU 3.38 2.35 1 17 GLU 2.64 1.50 1 18 LEU 3.77 2.79 1 19 THR 6.64 5.17 1 20 ARG 4.03 3.16 1 21 GLN 3.04 2.72 1 22 VAL 5.53 4.03 1 24 ARG 1.81 0.83 1 25 TYR -0.32 -1.07 1 26 LYS 2.86 -0.32 1 27 ASN -2.91 -0.91 1 28 LYS 3.92 3.17 1 29 LYS 4.45 3.38 1 30 PHE 4.80 5.15 1 31 MET 7.58 5.66 1 32 GLN 4.31 2.40 1 35 VAL 7.21 5.29 1 36 ALA 3.33 3.28 1 37 VAL 7.63 5.50 1 39 ALA 3.85 3.17 1 40 ARG 0.13 1.05 1 41 ILE 4.76 4.11 1 42 ALA 2.59 1.59 1 43 VAL 0.25 -0.93 1 44 ALA 1.11 1.17 1 45 SER 1.39 0.86 1 46 ASP 1.78 0.63 1 48 VAL -0.27 -0.93 1 49 SER -1.79 -0.52 1 50 SER 2.55 3.71 1 51 GLU -0.95 -0.40 1 52 GLU 3.59 2.24 1 53 LYS 5.82 4.86 1 54 GLN 4.10 2.72 1 55 LYS 4.34 2.64 1 56 MET 3.67 1.01 1 57 ILE 6.62 5.23 1 59 PHE 3.54 0.72 1 60 LEU 3.87 3.32 1 61 ARG 4.03 3.47 1 62 SER 0.33 0.75 1 63 SER -0.20 -0.09 1 64 GLU 2.53 1.92 1 65 GLU 5.06 4.24 1 66 LEU 1.65 0.67 1 67 LYS 3.39 2.01 1 68 VAL 2.36 0.33 1 69 PHE -2.49 -1.61 1 70 ASP -0.12 0.31 1 71 THR 5.36 4.53 1 72 ALA 4.70 3.07 1 73 GLU 3.16 2.87 1 74 VAL 5.42 4.55 1 75 ILE 4.82 2.49 1 76 GLU 2.85 3.08 1 77 PHE 5.33 4.20 1 78 PHE 5.33 4.41 1 79 ASN 3.39 2.75 1 80 LYS 4.86 3.48 1 81 LEU 4.50 2.47 1 82 VAL 6.26 4.13 1 83 THR 5.46 4.53 1 85 PHE 3.32 1.98 1 86 ASP 2.73 2.21 1 87 PHE 2.38 2.09 1 88 ASP -1.49 1.05 1 89 LEU 3.98 4.06 1 90 GLU 3.80 2.56 1 91 ILE 5.35 3.33 1 93 LYS 6.34 5.38 1 95 GLU 3.17 2.56 1 96 THR 6.41 5.48 1 98 LYS 5.29 3.48 1 99 TYR 4.23 3.90 1 100 ILE 4.29 4.28 1 101 LEU 3.77 1.95 1 102 ALA 2.58 1.48 1 103 LEU -0.67 -0.69 1 104 LYS 3.82 3.70 1 105 ASP 1.47 0.21 1 106 GLN 5.29 5.25 1 108 GLU 4.22 3.17 1 109 ALA 2.59 2.12 1 110 ALA 4.17 3.49 1 111 GLN 5.36 3.77 1 112 LEU 3.77 2.58 1 113 ALA 3.75 2.65 1 114 LEU 3.97 2.89 1 115 ARG 5.40 5.16 1 116 VAL 6.69 4.66 1 118 ILE 5.56 5.44 1 119 ALA 4.07 2.54 1 120 VAL 5.15 3.28 1 121 ALA 1.64 2.22 1 122 LYS 0.23 -1.05 1 123 SER 3.81 2.86 1 124 ASP -0.60 -0.64 1 126 ASN -2.27 -1.01 1 127 PHE -2.91 -1.82 1 128 ASP -1.70 -1.90 1 129 ASP 4.63 4.22 1 130 ASP 4.63 3.58 1 131 GLU 3.91 2.98 1 132 LYS 6.98 2.96 1 133 SER 3.92 3.60 1 134 ALA 3.85 2.96 1 135 VAL 7.01 4.98 1 136 ARG 5.62 5.06 1 137 GLU 3.17 2.56 1 138 ILE 5.45 5.12 1 139 ALA 5.52 3.49 1 140 ARG 4.55 3.47 1 141 SER 1.22 0.68 1 142 LEU -1.73 -0.59 1 144 PHE -5.12 -3.72 1 145 ASP -2.43 -1.38 1 147 ALA 2.91 2.12 1 148 GLU 2.01 1.08 1 149 PHE 0.58 -0.23 1 151 LEU 0.07 -0.59 1 152 LEU -0.32 -0.68 1 153 GLU -1.05 -0.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15574_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 2.22 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 MET 4.62 -3.93 0 34 THR 3.89 1.91 0 84 SER 1.07 2.85 0 10 ALA -0.09 0.16 1 11 LEU 0.92 -0.24 1 12 THR -0.34 0.23 1 13 SER 0.22 0.21 1 15 ARG 3.60 -0.87 1 16 GLU 3.38 -1.03 1 17 GLU 2.64 -1.14 1 18 LEU 3.77 -0.98 1 19 THR 6.64 -1.47 1 20 ARG 4.03 -0.87 1 21 GLN 3.04 -0.32 1 22 VAL 5.53 -1.50 1 24 ARG 1.81 -0.98 1 25 TYR -0.32 -0.75 1 26 LYS 2.86 -3.18 1 27 ASN -2.91 2.00 1 28 LYS 3.92 -0.75 1 29 LYS 4.45 -1.07 1 30 PHE 4.80 0.35 1 31 MET 7.58 -1.92 1 32 GLN 4.31 -1.91 1 35 VAL 7.21 -1.92 1 36 ALA 3.33 -0.05 1 37 VAL 7.63 -2.13 1 39 ALA 3.85 -0.68 1 40 ARG 0.13 0.92 1 41 ILE 4.76 -0.65 1 42 ALA 2.59 -1.00 1 43 VAL 0.25 -1.18 1 44 ALA 1.11 0.06 1 45 SER 1.39 -0.53 1 46 ASP 1.78 -1.15 1 48 VAL -0.27 -0.66 1 49 SER -1.79 1.27 1 50 SER 2.55 1.16 1 51 GLU -0.95 0.55 1 52 GLU 3.59 -1.35 1 53 LYS 5.82 -0.96 1 54 GLN 4.10 -1.38 1 55 LYS 4.34 -1.70 1 56 MET 3.67 -2.66 1 57 ILE 6.62 -1.39 1 59 PHE 3.54 -2.82 1 60 LEU 3.87 -0.55 1 61 ARG 4.03 -0.56 1 62 SER 0.33 0.42 1 63 SER -0.20 0.11 1 64 GLU 2.53 -0.61 1 65 GLU 5.06 -0.82 1 66 LEU 1.65 -0.98 1 67 LYS 3.39 -1.38 1 68 VAL 2.36 -2.03 1 69 PHE -2.49 0.88 1 70 ASP -0.12 0.43 1 71 THR 5.36 -0.83 1 72 ALA 4.70 -1.63 1 73 GLU 3.16 -0.29 1 74 VAL 5.42 -0.87 1 75 ILE 4.82 -2.33 1 76 GLU 2.85 0.23 1 77 PHE 5.33 -1.13 1 78 PHE 5.33 -0.92 1 79 ASN 3.39 -0.64 1 80 LYS 4.86 -1.38 1 81 LEU 4.50 -2.03 1 82 VAL 6.26 -2.13 1 83 THR 5.46 -0.93 1 85 PHE 3.32 -1.34 1 86 ASP 2.73 -0.52 1 87 PHE 2.38 -0.29 1 88 ASP -1.49 2.54 1 89 LEU 3.98 0.08 1 90 GLU 3.80 -1.24 1 91 ILE 5.35 -2.02 1 93 LYS 6.34 -0.96 1 95 GLU 3.17 -0.61 1 96 THR 6.41 -0.93 1 98 LYS 5.29 -1.81 1 99 TYR 4.23 -0.33 1 100 ILE 4.29 -0.01 1 101 LEU 3.77 -1.82 1 102 ALA 2.58 -1.10 1 103 LEU -0.67 -0.02 1 104 LYS 3.82 -0.12 1 105 ASP 1.47 -1.26 1 106 GLN 5.29 -0.04 1 108 GLU 4.22 -1.05 1 109 ALA 2.59 -0.47 1 110 ALA 4.17 -0.68 1 111 GLN 5.36 -1.59 1 112 LEU 3.77 -1.19 1 113 ALA 3.75 -1.10 1 114 LEU 3.97 -1.08 1 115 ARG 5.40 -0.24 1 116 VAL 6.69 -2.03 1 118 ILE 5.56 -0.12 1 119 ALA 4.07 -1.53 1 120 VAL 5.15 -1.87 1 121 ALA 1.64 0.58 1 122 LYS 0.23 -1.28 1 123 SER 3.81 -0.95 1 124 ASP -0.60 -0.04 1 126 ASN -2.27 1.26 1 127 PHE -2.91 1.09 1 128 ASP -1.70 -0.20 1 129 ASP 4.63 -0.41 1 130 ASP 4.63 -1.05 1 131 GLU 3.91 -0.93 1 132 LYS 6.98 -4.02 1 133 SER 3.92 -0.32 1 134 ALA 3.85 -0.89 1 135 VAL 7.01 -2.03 1 136 ARG 5.62 -0.56 1 137 GLU 3.17 -0.61 1 138 ILE 5.45 -0.33 1 139 ALA 5.52 -2.03 1 140 ARG 4.55 -1.08 1 141 SER 1.22 -0.54 1 142 LEU -1.73 1.14 1 144 PHE -5.12 1.40 1 145 ASP -2.43 1.05 1 147 ALA 2.91 -0.79 1 148 GLU 2.01 -0.93 1 149 PHE 0.58 -0.81 1 151 LEU 0.07 -0.66 1 152 LEU -0.32 -0.36 1 153 GLU -1.05 0.26 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15574_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 0.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 31 MET 7.58 -1.47 0 10 ALA -0.09 0.01 1 11 LEU 0.92 0.06 1 12 THR -0.34 0.04 1 13 SER 0.22 0.03 1 15 ARG 3.60 -0.18 1 16 GLU 3.38 -0.20 1 17 GLU 2.64 -0.13 1 18 LEU 3.77 -0.26 1 19 THR 6.64 -0.62 1 20 ARG 4.03 -0.26 1 21 GLN 3.04 -0.28 1 22 VAL 5.53 -0.71 1 24 ARG 1.81 -0.28 1 25 TYR -0.32 -0.10 1 26 LYS 2.86 0.00 1 27 ASN -2.91 0.34 1 28 LYS 3.92 -0.39 1 29 LYS 4.45 -0.23 1 30 PHE 4.80 -0.51 1 32 GLN 4.31 -0.99 1 34 THR 3.89 -0.58 1 35 VAL 7.21 -0.59 1 36 ALA 3.33 -0.18 1 37 VAL 7.63 -0.63 1 39 ALA 3.85 -0.22 1 40 ARG 0.13 -0.29 1 41 ILE 4.76 -0.70 1 42 ALA 2.59 0.01 1 43 VAL 0.25 -0.20 1 44 ALA 1.11 -0.20 1 45 SER 1.39 0.00 1 46 ASP 1.78 -0.11 1 48 VAL -0.27 0.22 1 49 SER -1.79 0.07 1 50 SER 2.55 -0.08 1 51 GLU -0.95 0.15 1 52 GLU 3.59 -0.25 1 53 LYS 5.82 -0.45 1 54 GLN 4.10 -0.35 1 55 LYS 4.34 -0.61 1 56 MET 3.67 -0.29 1 57 ILE 6.62 -0.86 1 59 PHE 3.54 0.09 1 60 LEU 3.87 -0.44 1 61 ARG 4.03 -0.44 1 62 SER 0.33 0.02 1 63 SER -0.20 -0.10 1 64 GLU 2.53 -0.28 1 65 GLU 5.06 -0.36 1 66 LEU 1.65 0.36 1 67 LYS 3.39 -0.02 1 68 VAL 2.36 -0.18 1 69 PHE -2.49 0.12 1 70 ASP -0.12 -0.07 1 71 THR 5.36 -0.35 1 72 ALA 4.70 -0.19 1 73 GLU 3.16 -0.25 1 74 VAL 5.42 -0.35 1 75 ILE 4.82 -0.44 1 76 GLU 2.85 -0.20 1 77 PHE 5.33 -0.30 1 78 PHE 5.33 -0.99 1 79 ASN 3.39 -0.55 1 80 LYS 4.86 -0.43 1 81 LEU 4.50 -0.60 1 82 VAL 6.26 -0.56 1 83 THR 5.46 -0.35 1 84 SER 1.07 -0.53 1 85 PHE 3.32 -0.20 1 86 ASP 2.73 -0.29 1 87 PHE 2.38 -0.16 1 88 ASP -1.49 -0.09 1 89 LEU 3.98 -0.02 1 90 GLU 3.80 -0.27 1 91 ILE 5.35 -0.32 1 93 LYS 6.34 -0.44 1 95 GLU 3.17 -0.28 1 96 THR 6.41 -0.22 1 97 MET 4.62 0.02 1 98 LYS 5.29 -0.44 1 99 TYR 4.23 -0.43 1 100 ILE 4.29 -0.46 1 101 LEU 3.77 -0.43 1 102 ALA 2.58 -0.08 1 103 LEU -0.67 0.11 1 104 LYS 3.82 -0.60 1 105 ASP 1.47 -0.06 1 106 GLN 5.29 -0.42 1 108 GLU 4.22 -0.20 1 109 ALA 2.59 -0.63 1 110 ALA 4.17 -0.35 1 111 GLN 5.36 -0.54 1 112 LEU 3.77 -0.12 1 113 ALA 3.75 -0.33 1 114 LEU 3.97 -0.19 1 115 ARG 5.40 -0.31 1 116 VAL 6.69 -0.50 1 118 ILE 5.56 -0.67 1 119 ALA 4.07 -0.46 1 120 VAL 5.15 -0.64 1 121 ALA 1.64 -0.12 1 122 LYS 0.23 -0.13 1 123 SER 3.81 -0.65 1 124 ASP -0.60 0.04 1 126 ASN -2.27 0.06 1 127 PHE -2.91 0.53 1 128 ASP -1.70 0.21 1 129 ASP 4.63 -0.27 1 130 ASP 4.63 -0.13 1 131 GLU 3.91 -0.28 1 132 LYS 6.98 -0.25 1 133 SER 3.92 -0.33 1 134 ALA 3.85 -0.22 1 135 VAL 7.01 -0.76 1 136 ARG 5.62 -0.60 1 137 GLU 3.17 -0.28 1 139 ALA 5.52 -0.61 1 140 ARG 4.55 -0.04 1 141 SER 1.22 -0.36 1 142 LEU -1.73 -0.39 1 144 PHE -5.12 0.51 1 145 ASP -2.43 0.03 1 147 ALA 2.91 -0.16 1 148 GLU 2.01 -0.36 1 149 PHE 0.58 -0.12 1 151 LEU 0.07 0.14 1 152 LEU -0.32 0.00 1 153 GLU -1.05 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15574_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 -1.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _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 7.63 _LACS_plot.Line_2_terminator_val_y_2 2.44 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 106 GLN 5.29 -1.64 0 144 PHE -5.12 -1.08 0 10 ALA -0.09 0.11 1 11 LEU 0.92 0.17 1 12 THR -0.34 0.00 1 13 SER 0.22 0.66 1 15 ARG 3.60 1.98 1 16 GLU 3.38 1.96 1 17 GLU 2.64 0.30 1 18 LEU 3.77 1.12 1 19 THR 6.64 1.92 1 20 ARG 4.03 3.00 1 21 GLN 3.04 2.21 1 22 VAL 5.53 0.50 1 24 ARG 1.81 -0.35 1 25 TYR -0.32 -1.94 1 26 LYS 2.86 -1.57 1 27 ASN -2.91 -0.89 1 28 LYS 3.92 0.81 1 29 LYS 4.45 3.34 1 30 PHE 4.80 2.04 1 31 MET 7.58 0.99 1 32 GLN 4.31 2.70 1 34 THR 3.89 2.08 1 35 VAL 7.21 1.34 1 36 ALA 3.33 1.59 1 37 VAL 7.63 1.24 1 39 ALA 3.85 -0.26 1 40 ARG 0.13 2.26 1 41 ILE 4.76 0.40 1 42 ALA 2.59 -0.03 1 43 VAL 0.25 -0.44 1 44 ALA 1.11 -0.09 1 45 SER 1.39 0.06 1 46 ASP 1.78 -0.86 1 48 VAL -0.27 -0.79 1 49 SER -1.79 0.50 1 50 SER 2.55 2.23 1 51 GLU -0.95 -0.67 1 52 GLU 3.59 2.14 1 53 LYS 5.82 1.06 1 54 GLN 4.10 3.07 1 55 LYS 4.34 1.78 1 56 MET 3.67 1.84 1 57 ILE 6.62 1.37 1 59 PHE 3.54 3.96 1 60 LEU 3.87 1.42 1 61 ARG 4.03 0.99 1 62 SER 0.33 -0.01 1 63 SER -0.20 1.65 1 64 GLU 2.53 2.42 1 65 GLU 5.06 0.85 1 66 LEU 1.65 0.59 1 67 LYS 3.39 0.07 1 68 VAL 2.36 -1.39 1 69 PHE -2.49 -1.67 1 70 ASP -0.12 1.20 1 71 THR 5.36 0.83 1 72 ALA 4.70 3.02 1 73 GLU 3.16 2.91 1 74 VAL 5.42 1.24 1 75 ILE 4.82 1.70 1 76 GLU 2.85 2.54 1 77 PHE 5.33 0.70 1 78 PHE 5.33 0.70 1 79 ASN 3.39 2.99 1 80 LYS 4.86 2.65 1 81 LEU 4.50 2.05 1 82 VAL 6.26 2.10 1 83 THR 5.46 1.87 1 84 SER 1.07 0.33 1 85 PHE 3.32 1.19 1 86 ASP 2.73 1.11 1 87 PHE 2.38 0.33 1 88 ASP -1.49 -1.11 1 89 LEU 3.98 0.84 1 90 GLU 3.80 4.29 1 91 ILE 5.35 3.20 1 93 LYS 6.34 2.10 1 95 GLU 3.17 1.98 1 96 THR 6.41 2.13 1 97 MET 4.62 2.12 1 98 LYS 5.29 2.79 1 99 TYR 4.23 1.74 1 100 ILE 4.29 1.14 1 101 LEU 3.77 1.93 1 102 ALA 2.58 0.69 1 103 LEU -0.67 -0.15 1 104 LYS 3.82 -0.33 1 105 ASP 1.47 -0.77 1 108 GLU 4.22 2.49 1 109 ALA 2.59 1.22 1 110 ALA 4.17 1.01 1 111 GLN 5.36 1.59 1 112 LEU 3.77 -0.03 1 113 ALA 3.75 2.47 1 114 LEU 3.97 0.27 1 115 ARG 5.40 3.60 1 116 VAL 6.69 0.41 1 118 ILE 5.56 -0.06 1 119 ALA 4.07 2.70 1 120 VAL 5.15 2.26 1 121 ALA 1.64 -0.19 1 122 LYS 0.23 1.20 1 123 SER 3.81 -0.10 1 124 ASP -0.60 0.16 1 126 ASN -2.27 -0.80 1 127 PHE -2.91 0.50 1 128 ASP -1.70 0.27 1 129 ASP 4.63 2.79 1 130 ASP 4.63 3.21 1 131 GLU 3.91 2.01 1 132 LYS 6.98 2.68 1 133 SER 3.92 3.24 1 134 ALA 3.85 1.45 1 135 VAL 7.01 1.24 1 136 ARG 5.62 1.50 1 137 GLU 3.17 3.23 1 138 ILE 5.45 1.10 1 139 ALA 5.52 1.31 1 140 ARG 4.55 4.71 1 141 SER 1.22 -0.06 1 142 LEU -1.73 -2.37 1 145 ASP -2.43 1.57 1 147 ALA 2.91 2.77 1 148 GLU 2.01 1.82 1 149 PHE 0.58 -0.57 1 151 LEU 0.07 -1.60 1 152 LEU -0.32 -0.77 1 153 GLU -1.05 -0.69 1 stop_ save_