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 bmr19977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 4.89 _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 49 GLU -6.01 -0.85 0 75 VAL -5.05 -4.67 0 12 LEU 0.43 0.15 1 13 ARG 0.97 0.55 1 14 GLU 0.54 0.61 1 15 GLU 0.52 0.46 1 16 ILE 1.23 0.55 1 17 VAL 1.85 1.06 1 18 ASN 1.05 0.62 1 19 PHE 1.95 1.40 1 22 ARG 5.96 4.29 1 23 LYS 3.62 2.57 1 24 LEU 3.13 2.47 1 25 VAL 4.26 2.67 1 26 ALA 2.10 1.16 1 27 SER 0.86 0.93 1 28 MET -0.26 0.70 1 30 LEU 2.25 1.85 1 31 PHE -0.70 -1.58 1 32 ALA 2.76 2.48 1 33 ASN -0.32 -0.59 1 34 ALA -2.51 -1.16 1 35 ASP -0.87 0.23 1 37 ASN 4.22 2.90 1 38 PHE 3.40 2.17 1 39 VAL 6.89 5.01 1 40 THR 6.11 4.86 1 41 ALA 2.94 2.33 1 42 MET 4.22 2.23 1 43 LEU 4.27 2.46 1 44 THR 2.73 2.17 1 45 LYS -1.88 -2.77 1 46 LEU 0.17 0.28 1 47 LYS -3.13 -1.99 1 48 PHE -0.47 -0.19 1 50 VAL -4.99 -3.43 1 51 PHE -4.55 -0.72 1 52 GLN 0.37 -0.77 1 55 ASP 0.22 0.84 1 56 TYR 2.69 1.66 1 57 ILE 1.46 1.96 1 58 ILE -5.29 -1.15 1 59 ARG -2.92 -1.91 1 60 GLU 1.73 1.05 1 62 THR -2.98 -1.29 1 63 ILE 1.44 -0.19 1 65 LYS -2.20 -0.49 1 66 LYS -5.03 -1.09 1 67 MET -3.22 -1.77 1 68 TYR -5.16 -0.97 1 69 PHE -3.82 -1.47 1 70 ILE 1.69 0.82 1 71 GLN 3.93 2.83 1 72 HIS -4.17 0.02 1 74 VAL -3.09 -1.32 1 76 SER -1.97 -0.55 1 77 VAL 0.67 -0.63 1 78 LEU -1.45 -0.82 1 79 THR -2.68 -1.40 1 80 LYS 2.81 1.58 1 82 ASN -1.50 -0.68 1 83 LYS 0.25 -0.12 1 84 GLU -1.50 -0.13 1 85 MET -3.17 -0.87 1 86 LYS -2.91 -1.69 1 87 LEU -5.07 -1.76 1 88 SER -4.64 -2.80 1 89 ASP 2.92 1.81 1 91 SER -0.53 0.24 1 92 TYR -5.66 -3.09 1 93 PHE -0.19 -0.81 1 95 GLU -0.35 -0.10 1 96 ILE 0.39 -0.06 1 98 LEU 3.36 1.54 1 99 LEU -1.24 -0.03 1 100 THR -2.01 -1.06 1 101 ARG 2.73 1.50 1 103 ARG -1.49 -0.80 1 104 ARG -1.45 -0.89 1 106 ALA -4.40 -1.31 1 107 SER -2.45 -1.16 1 108 VAL -2.35 -1.04 1 109 ARG -7.08 -3.20 1 110 ALA 0.59 0.24 1 111 ASP 0.85 1.05 1 112 THR -6.01 -2.47 1 113 TYR 2.50 1.98 1 115 ARG -2.57 -0.69 1 116 LEU -6.22 -2.56 1 117 TYR -4.84 -1.12 1 118 SER -7.63 -3.79 1 119 LEU -6.32 -2.54 1 120 SER -4.09 -2.59 1 121 VAL 4.57 3.68 1 122 ASP 4.45 3.24 1 123 ASN 3.41 2.86 1 124 PHE 3.55 3.49 1 125 ASN 3.96 3.12 1 126 GLU 3.11 2.78 1 127 VAL 5.20 3.74 1 128 LEU 3.16 2.74 1 129 GLU 2.49 2.07 1 130 GLU -0.41 0.01 1 131 TYR -0.72 0.33 1 133 MET 4.73 2.50 1 134 MET 1.85 -0.49 1 135 ARG 5.66 4.26 1 136 ARG 3.71 2.54 1 137 ALA 3.56 2.13 1 138 PHE 2.30 1.08 1 139 GLU 1.89 1.88 1 140 THR 1.92 1.44 1 141 VAL 2.04 1.20 1 142 ALA 0.62 0.38 1 143 ILE 1.07 0.47 1 144 ASP 1.14 0.93 1 145 ARG 1.25 0.59 1 146 LEU 1.63 1.17 1 147 ASP 0.94 0.62 1 148 ARG 0.92 0.61 1 149 ILE 1.86 1.26 1 151 LYS 0.26 0.03 1 154 SER 0.25 0.18 1 155 ILE 0.42 0.17 1 156 LEU -0.07 -0.30 1 157 LEU -0.11 -0.19 1 158 HIS 0.39 2.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _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 49 GLU -6.01 5.16 0 75 VAL -5.05 0.38 0 12 LEU 0.43 -0.28 1 13 ARG 0.97 -0.42 1 14 GLU 0.54 0.07 1 15 GLU 0.52 -0.06 1 16 ILE 1.23 -0.68 1 17 VAL 1.85 -0.79 1 18 ASN 1.05 -0.43 1 19 PHE 1.95 -0.55 1 22 ARG 5.96 -1.67 1 23 LYS 3.62 -1.05 1 24 LEU 3.13 -0.66 1 25 VAL 4.26 -1.59 1 26 ALA 2.10 -0.94 1 27 SER 0.86 0.07 1 28 MET -0.26 0.96 1 30 LEU 2.25 -0.40 1 31 PHE -0.70 -0.88 1 32 ALA 2.76 -0.28 1 33 ASN -0.32 -0.27 1 34 ALA -2.51 1.35 1 35 ASP -0.87 1.10 1 37 ASN 4.22 -1.32 1 38 PHE 3.40 -1.23 1 39 VAL 6.89 -1.88 1 40 THR 6.11 -1.25 1 41 ALA 2.94 -0.61 1 42 MET 4.22 -1.99 1 43 LEU 4.27 -1.81 1 44 THR 2.73 -0.56 1 45 LYS -1.88 -0.89 1 46 LEU 0.17 0.11 1 47 LYS -3.13 1.14 1 48 PHE -0.47 0.28 1 50 VAL -4.99 1.56 1 51 PHE -4.55 3.83 1 52 GLN 0.37 -1.14 1 55 ASP 0.22 0.62 1 56 TYR 2.69 -1.03 1 57 ILE 1.46 0.50 1 58 ILE -5.29 4.14 1 59 ARG -2.92 1.01 1 60 GLU 1.73 -0.68 1 62 THR -2.98 1.69 1 63 ILE 1.44 -1.63 1 65 LYS -2.20 1.71 1 66 LYS -5.03 3.94 1 67 MET -3.22 1.45 1 68 TYR -5.16 4.19 1 69 PHE -3.82 2.35 1 70 ILE 1.69 -0.87 1 71 GLN 3.93 -1.10 1 72 HIS -4.17 4.19 1 74 VAL -3.09 1.77 1 76 SER -1.97 1.42 1 77 VAL 0.67 -1.30 1 78 LEU -1.45 0.63 1 79 THR -2.68 1.28 1 80 LYS 2.81 -1.23 1 82 ASN -1.50 0.82 1 83 LYS 0.25 -0.37 1 84 GLU -1.50 1.37 1 85 MET -3.17 2.30 1 86 LYS -2.91 1.22 1 87 LEU -5.07 3.31 1 88 SER -4.64 1.84 1 89 ASP 2.92 -1.11 1 91 SER -0.53 0.77 1 92 TYR -5.66 2.57 1 93 PHE -0.19 -0.62 1 95 GLU -0.35 0.25 1 96 ILE 0.39 -0.45 1 98 LEU 3.36 -1.82 1 99 LEU -1.24 1.21 1 100 THR -2.01 0.95 1 101 ARG 2.73 -1.23 1 103 ARG -1.49 0.69 1 104 ARG -1.45 0.56 1 106 ALA -4.40 3.09 1 107 SER -2.45 1.29 1 108 VAL -2.35 1.31 1 109 ARG -7.08 3.88 1 110 ALA 0.59 -0.35 1 111 ASP 0.85 0.20 1 112 THR -6.01 3.54 1 113 TYR 2.50 -0.52 1 115 ARG -2.57 1.88 1 116 LEU -6.22 3.66 1 117 TYR -4.84 3.72 1 118 SER -7.63 3.84 1 119 LEU -6.32 3.78 1 120 SER -4.09 1.50 1 121 VAL 4.57 -0.89 1 122 ASP 4.45 -1.21 1 123 ASN 3.41 -0.55 1 124 PHE 3.55 -0.06 1 125 ASN 3.96 -0.84 1 126 GLU 3.11 -0.33 1 127 VAL 5.20 -1.46 1 128 LEU 3.16 -0.42 1 129 GLU 2.49 -0.42 1 130 GLU -0.41 0.42 1 131 TYR -0.72 1.05 1 133 MET 4.73 -2.23 1 134 MET 1.85 -2.34 1 135 ARG 5.66 -1.40 1 136 ARG 3.71 -1.17 1 137 ALA 3.56 -1.43 1 138 PHE 2.30 -1.22 1 139 GLU 1.89 -0.01 1 140 THR 1.92 -0.48 1 141 VAL 2.04 -0.84 1 142 ALA 0.62 -0.24 1 143 ILE 1.07 -0.60 1 144 ASP 1.14 -0.21 1 145 ARG 1.25 -0.66 1 146 LEU 1.63 -0.46 1 147 ASP 0.94 -0.32 1 148 ARG 0.92 -0.31 1 149 ILE 1.86 -0.60 1 151 LYS 0.26 -0.23 1 154 SER 0.25 -0.07 1 155 ILE 0.42 -0.25 1 156 LEU -0.07 -0.23 1 157 LEU -0.11 -0.08 1 158 HIS 0.39 1.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 PHE 3.40 -1.41 0 12 LEU 0.43 -0.09 1 13 ARG 0.97 -0.17 1 14 GLU 0.54 -0.26 1 15 GLU 0.52 -0.25 1 16 ILE 1.23 -0.17 1 17 VAL 1.85 -0.26 1 18 ASN 1.05 -0.24 1 19 PHE 1.95 -0.33 1 22 ARG 5.96 -0.93 1 23 LYS 3.62 -0.48 1 24 LEU 3.13 -0.25 1 25 VAL 4.26 -0.73 1 26 ALA 2.10 -0.40 1 27 SER 0.86 -0.11 1 28 MET -0.26 -0.23 1 30 LEU 2.25 -0.49 1 31 PHE -0.70 0.11 1 32 ALA 2.76 -0.17 1 33 ASN -0.32 0.00 1 34 ALA -2.51 -0.18 1 35 ASP -0.87 -0.29 1 37 ASN 4.22 -0.37 1 39 VAL 6.89 -1.28 1 40 THR 6.11 -0.86 1 41 ALA 2.94 -0.26 1 42 MET 4.22 -0.73 1 43 LEU 4.27 -0.74 1 44 THR 2.73 -0.24 1 45 LYS -1.88 -0.02 1 46 LEU 0.17 0.36 1 47 LYS -3.13 0.49 1 48 PHE -0.47 -0.02 1 49 GLU -6.01 -0.07 1 50 VAL -4.99 0.78 1 51 PHE -4.55 -0.10 1 52 GLN 0.37 -0.18 1 55 ASP 0.22 -0.12 1 56 TYR 2.69 -0.24 1 57 ILE 1.46 -1.00 1 58 ILE -5.29 0.21 1 59 ARG -2.92 0.38 1 60 GLU 1.73 -0.91 1 62 THR -2.98 0.14 1 63 ILE 1.44 -0.06 1 65 LYS -2.20 0.17 1 66 LYS -5.03 0.56 1 67 MET -3.22 0.23 1 68 TYR -5.16 0.36 1 69 PHE -3.82 0.20 1 70 ILE 1.69 -0.09 1 71 GLN 3.93 -0.01 1 72 HIS -4.17 0.16 1 74 VAL -3.09 0.64 1 75 VAL -5.05 0.72 1 76 SER -1.97 0.43 1 77 VAL 0.67 0.12 1 78 LEU -1.45 0.53 1 79 THR -2.68 0.26 1 80 LYS 2.81 -0.29 1 82 ASN -1.50 0.02 1 83 LYS 0.25 -0.07 1 84 GLU -1.50 0.20 1 85 MET -3.17 0.16 1 86 LYS -2.91 1.01 1 87 LEU -5.07 0.26 1 88 SER -4.64 1.19 1 89 ASP 2.92 -0.88 1 91 SER -0.53 0.27 1 92 TYR -5.66 0.83 1 93 PHE -0.19 0.51 1 95 GLU -0.35 -0.28 1 96 ILE 0.39 -0.10 1 98 LEU 3.36 -0.55 1 99 LEU -1.24 0.06 1 100 THR -2.01 0.09 1 101 ARG 2.73 0.09 1 103 ARG -1.49 0.34 1 104 ARG -1.45 -0.54 1 106 ALA -4.40 0.35 1 107 SER -2.45 0.30 1 108 VAL -2.35 0.73 1 109 ARG -7.08 0.18 1 110 ALA 0.59 -0.24 1 111 ASP 0.85 -0.01 1 112 THR -6.01 0.19 1 113 TYR 2.50 -0.13 1 115 ARG -2.57 0.07 1 116 LEU -6.22 0.97 1 117 TYR -4.84 1.12 1 118 SER -7.63 0.88 1 119 LEU -6.32 0.55 1 120 SER -4.09 0.57 1 121 VAL 4.57 -0.52 1 122 ASP 4.45 -0.18 1 123 ASN 3.41 -0.09 1 124 PHE 3.55 -0.51 1 125 ASN 3.96 -0.51 1 126 GLU 3.11 -0.37 1 127 VAL 5.20 -0.30 1 128 LEU 3.16 -0.41 1 129 GLU 2.49 -0.45 1 130 GLU -0.41 -0.31 1 131 TYR -0.72 -0.04 1 133 MET 4.73 -0.16 1 134 MET 1.85 -0.19 1 135 ARG 5.66 -0.58 1 136 ARG 3.71 -0.27 1 137 ALA 3.56 -0.29 1 138 PHE 2.30 -0.18 1 139 GLU 1.89 -0.26 1 140 THR 1.92 -0.16 1 141 VAL 2.04 -0.22 1 142 ALA 0.62 -0.13 1 143 ILE 1.07 -0.15 1 144 ASP 1.14 -0.17 1 145 ARG 1.25 -0.16 1 146 LEU 1.63 -0.20 1 147 ASP 0.94 -0.20 1 148 ARG 0.92 -0.14 1 149 ILE 1.86 -0.28 1 151 LYS 0.26 -0.11 1 154 SER 0.25 -0.09 1 155 ILE 0.42 -0.13 1 156 LEU -0.07 -0.06 1 157 LEU -0.11 -0.10 1 158 HIS 0.39 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 2.26 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 143 ILE 1.07 -3.70 0 12 LEU 0.43 -0.18 1 13 ARG 0.97 0.16 1 14 GLU 0.54 -0.03 1 15 GLU 0.52 0.25 1 16 ILE 1.23 0.21 1 17 VAL 1.85 0.01 1 18 ASN 1.05 0.06 1 22 ARG 5.96 0.84 1 23 LYS 3.62 2.02 1 24 LEU 3.13 0.85 1 25 VAL 4.26 0.73 1 26 ALA 2.10 -0.24 1 27 SER 0.86 -0.45 1 30 LEU 2.25 -0.78 1 31 PHE -0.70 0.90 1 32 ALA 2.76 0.53 1 33 ASN -0.32 -0.75 1 34 ALA -2.51 -1.48 1 37 ASN 4.22 2.37 1 38 PHE 3.40 -0.11 1 39 VAL 6.89 0.74 1 40 THR 6.11 1.13 1 41 ALA 2.94 2.64 1 42 MET 4.22 2.32 1 43 LEU 4.27 2.14 1 44 THR 2.73 0.69 1 45 LYS -1.88 0.30 1 46 LEU 0.17 -0.15 1 47 LYS -3.13 -1.53 1 48 PHE -0.47 -0.79 1 49 GLU -6.01 -3.90 1 50 VAL -4.99 -0.99 1 51 PHE -4.55 -2.61 1 55 ASP 0.22 0.12 1 56 TYR 2.69 -0.57 1 57 ILE 1.46 -0.31 1 58 ILE -5.29 -1.16 1 59 ARG -2.92 -0.92 1 60 GLU 1.73 -0.65 1 62 THR -2.98 -0.88 1 63 ILE 1.44 0.61 1 65 LYS -2.20 -1.14 1 66 LYS -5.03 -2.62 1 67 MET -3.22 -3.73 1 68 TYR -5.16 -2.79 1 69 PHE -3.82 0.17 1 70 ILE 1.69 -1.27 1 71 GLN 3.93 -0.43 1 72 HIS -4.17 -1.40 1 74 VAL -3.09 -0.79 1 75 VAL -5.05 -2.60 1 76 SER -1.97 -1.64 1 77 VAL 0.67 -0.35 1 78 LEU -1.45 -1.32 1 79 THR -2.68 -0.29 1 82 ASN -1.50 -0.54 1 83 LYS 0.25 -0.35 1 84 GLU -1.50 -1.07 1 85 MET -3.17 -2.22 1 86 LYS -2.91 -0.21 1 87 LEU -5.07 -2.59 1 88 SER -4.64 -0.72 1 89 ASP 2.92 0.10 1 91 SER -0.53 -3.85 1 92 TYR -5.66 -2.56 1 93 PHE -0.19 -1.41 1 95 GLU -0.35 -0.37 1 99 LEU -1.24 -0.21 1 103 ARG -1.49 1.17 1 106 ALA -4.40 -1.26 1 107 SER -2.45 -2.17 1 108 VAL -2.35 -2.54 1 109 ARG -7.08 -2.24 1 110 ALA 0.59 -0.67 1 111 ASP 0.85 0.21 1 112 THR -6.01 -0.94 1 113 TYR 2.50 1.92 1 115 ARG -2.57 -2.32 1 116 LEU -6.22 -3.28 1 119 LEU -6.32 -2.86 1 120 SER -4.09 0.47 1 121 VAL 4.57 1.28 1 122 ASP 4.45 2.65 1 123 ASN 3.41 1.24 1 124 PHE 3.55 0.76 1 125 ASN 3.96 2.65 1 126 GLU 3.11 2.91 1 127 VAL 5.20 2.46 1 128 LEU 3.16 1.30 1 129 GLU 2.49 1.42 1 130 GLU -0.41 -1.33 1 133 MET 4.73 3.42 1 134 MET 1.85 0.96 1 135 ARG 5.66 1.89 1 136 ARG 3.71 2.13 1 137 ALA 3.56 1.99 1 138 PHE 2.30 1.07 1 139 GLU 1.89 1.23 1 140 THR 1.92 0.37 1 141 VAL 2.04 -0.29 1 144 ASP 1.14 0.82 1 145 ARG 1.25 -2.07 1 146 LEU 1.63 -0.03 1 147 ASP 0.94 0.27 1 148 ARG 0.92 0.64 1 149 ILE 1.86 0.57 1 154 SER 0.25 -0.22 1 155 ILE 0.42 -0.70 1 156 LEU -0.07 -0.96 1 157 LEU -0.11 -1.64 1 stop_ save_