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 bmr25860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.88 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 7.01 _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 91 ILE 1.71 -1.77 0 42 MET -9.88 -2.86 0 108 MET -6.81 -0.09 0 46 THR 9.37 7.79 0 10 LEU 2.97 2.64 1 11 GLN -2.02 -1.25 1 12 ARG 7.47 3.43 1 13 VAL 4.43 3.42 1 14 ILE -1.95 -0.42 1 16 PHE -1.78 0.49 1 17 GLU 4.17 0.81 1 18 ASN 1.47 1.74 1 19 GLN -5.98 -1.86 1 20 LEU 0.40 -0.32 1 22 TRP -2.67 -1.21 1 26 ASN 3.94 2.67 1 27 ASP 1.24 3.72 1 28 LEU 5.47 2.58 1 29 LYS 3.95 3.67 1 30 HIS 1.86 4.42 1 31 VAL 4.72 3.46 1 32 LYS 4.68 3.40 1 33 LYS 4.45 3.46 1 34 LEU 1.48 1.99 1 35 SER -1.66 0.02 1 36 THR 5.75 4.90 1 38 HIS -2.66 -0.21 1 39 THR -1.18 0.76 1 40 LEU -5.54 -2.27 1 41 VAL -2.42 -1.60 1 44 ARG 4.98 4.50 1 45 LYS 7.92 4.30 1 47 PHE 5.87 5.26 1 48 GLU 3.25 2.76 1 49 SER 3.00 2.73 1 50 ILE 3.96 3.69 1 52 LYS -2.19 -0.67 1 54 LEU -0.02 -1.22 1 56 ASN 3.61 1.59 1 57 ARG -1.18 -0.95 1 58 ARG 0.62 0.42 1 59 ASN -3.48 0.26 1 60 VAL -2.35 -1.96 1 61 VAL -3.84 -2.24 1 62 LEU -3.62 -2.38 1 63 THR -0.69 -1.50 1 64 SER 0.61 1.34 1 65 ASP -0.10 -0.46 1 66 THR 2.94 1.56 1 67 SER -0.83 0.10 1 68 PHE 1.86 2.02 1 69 ASN -0.79 0.48 1 70 VAL -3.12 -0.62 1 71 GLU 2.05 1.78 1 73 VAL -2.93 -1.48 1 74 ASP -2.68 -0.87 1 75 VAL -3.12 -1.44 1 76 ILE -4.54 -1.68 1 77 HIS -2.46 -0.76 1 78 SER -4.24 -1.97 1 79 ILE 3.01 1.38 1 80 GLU 3.48 2.54 1 81 ASP 3.13 3.08 1 82 ILE 5.67 4.19 1 83 TYR 2.77 1.21 1 84 GLN -0.99 -1.08 1 85 LEU -0.02 -0.16 1 88 HIS -1.46 0.54 1 89 VAL -1.02 -0.39 1 90 PHE -2.45 -1.49 1 92 PHE -5.31 -0.63 1 95 GLN 6.72 5.85 1 96 THR 6.02 5.10 1 97 LEU 2.55 2.11 1 98 PHE 2.23 1.58 1 99 GLU 3.49 3.31 1 100 GLU 0.38 1.22 1 101 MET -0.61 -1.29 1 102 ILE 5.29 4.35 1 103 ASP 1.12 0.68 1 104 LYS -2.54 -0.23 1 105 VAL 0.96 0.14 1 106 ASP 1.94 3.43 1 107 ASP -2.23 -0.92 1 109 TYR 0.10 -0.22 1 110 ILE -4.53 -1.24 1 111 THR -0.59 -1.63 1 112 VAL 0.71 -0.12 1 113 ILE 0.06 -1.32 1 114 GLU 1.74 -0.87 1 116 LYS -1.86 -0.35 1 117 PHE -3.05 -0.98 1 118 ARG 1.84 0.63 1 120 ASP -2.94 -1.16 1 121 THR -4.73 -0.96 1 122 PHE -4.70 -0.12 1 123 PHE -2.01 0.51 1 126 TYR -3.29 -2.36 1 127 THR -4.44 -2.86 1 128 PHE 3.70 1.99 1 129 GLU 2.60 2.37 1 130 ASP -0.88 0.69 1 131 TRP -5.57 -1.54 1 132 GLU -4.96 -2.28 1 133 VAL 2.91 0.96 1 134 ALA 0.55 1.23 1 135 SER -1.29 -0.17 1 136 SER -0.95 -0.83 1 137 VAL -4.16 -0.83 1 138 GLU -0.11 0.53 1 140 LYS -0.27 -0.20 1 141 LEU -0.87 -1.12 1 142 ASP 7.23 4.92 1 143 GLU 3.44 3.08 1 144 LYS -1.68 -0.33 1 145 ASN -2.80 -0.37 1 146 THR 0.36 0.39 1 147 ILE -4.32 -1.02 1 149 HIS -1.81 -0.23 1 150 THR -2.76 -0.08 1 151 PHE -0.04 -0.47 1 152 LEU -5.34 -1.07 1 153 HIS -6.10 -1.29 1 154 LEU -4.33 -1.83 1 155 ILE -3.09 -1.15 1 156 ARG 3.10 1.96 1 157 LYS 1.31 1.15 1 158 LYS 0.61 1.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.88 _LACS_plot.Line_1_terminator_val_y_1 7.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 -2.36 _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 91 ILE 1.71 -3.48 0 42 MET -9.88 7.02 0 108 MET -6.81 6.72 0 46 THR 9.37 -1.58 0 10 LEU 2.97 -0.33 1 11 GLN -2.02 0.77 1 12 ARG 7.47 -4.04 1 13 VAL 4.43 -1.01 1 14 ILE -1.95 1.53 1 16 PHE -1.78 2.27 1 17 GLU 4.17 -3.36 1 18 ASN 1.47 0.27 1 19 GLN -5.98 4.12 1 20 LEU 0.40 -0.72 1 22 TRP -2.67 1.46 1 26 ASN 3.94 -1.27 1 27 ASP 1.24 2.48 1 28 LEU 5.47 -2.89 1 29 LYS 3.95 -0.28 1 30 HIS 1.86 2.56 1 31 VAL 4.72 -1.26 1 32 LYS 4.68 -1.28 1 33 LYS 4.45 -0.99 1 34 LEU 1.48 0.51 1 35 SER -1.66 1.68 1 36 THR 5.75 -0.85 1 38 HIS -2.66 2.45 1 39 THR -1.18 1.94 1 40 LEU -5.54 3.27 1 41 VAL -2.42 0.82 1 44 ARG 4.98 -0.48 1 45 LYS 7.92 -3.62 1 47 PHE 5.87 -0.61 1 48 GLU 3.25 -0.49 1 49 SER 3.00 -0.27 1 50 ILE 3.96 -0.27 1 52 LYS -2.19 1.52 1 54 LEU -0.02 -1.20 1 56 ASN 3.61 -2.02 1 57 ARG -1.18 0.23 1 58 ARG 0.62 -0.20 1 59 ASN -3.48 3.74 1 60 VAL -2.35 0.39 1 61 VAL -3.84 1.60 1 62 LEU -3.62 1.24 1 63 THR -0.69 -0.81 1 64 SER 0.61 0.73 1 65 ASP -0.10 -0.36 1 66 THR 2.94 -1.38 1 67 SER -0.83 0.93 1 68 PHE 1.86 0.16 1 69 ASN -0.79 1.27 1 70 VAL -3.12 2.50 1 71 GLU 2.05 -0.27 1 73 VAL -2.93 1.45 1 74 ASP -2.68 1.81 1 75 VAL -3.12 1.68 1 76 ILE -4.54 2.86 1 77 HIS -2.46 1.70 1 78 SER -4.24 2.27 1 79 ILE 3.01 -1.63 1 80 GLU 3.48 -0.94 1 81 ASP 3.13 -0.05 1 82 ILE 5.67 -1.48 1 83 TYR 2.77 -1.56 1 84 GLN -0.99 -0.09 1 85 LEU -0.02 -0.14 1 88 HIS -1.46 2.00 1 89 VAL -1.02 0.63 1 90 PHE -2.45 0.96 1 92 PHE -5.31 4.68 1 95 GLN 6.72 -0.87 1 96 THR 6.02 -0.92 1 97 LEU 2.55 -0.44 1 98 PHE 2.23 -0.65 1 99 GLU 3.49 -0.18 1 100 GLU 0.38 0.84 1 101 MET -0.61 -0.68 1 102 ILE 5.29 -0.94 1 103 ASP 1.12 -0.44 1 104 LYS -2.54 2.31 1 105 VAL 0.96 -0.82 1 106 ASP 1.94 1.49 1 107 ASP -2.23 1.31 1 109 TYR 0.10 -0.32 1 110 ILE -4.53 3.29 1 111 THR -0.59 -1.04 1 112 VAL 0.71 -0.83 1 113 ILE 0.06 -1.38 1 114 GLU 1.74 -2.61 1 116 LYS -1.86 1.51 1 117 PHE -3.05 2.07 1 118 ARG 1.84 -1.21 1 120 ASP -2.94 1.78 1 121 THR -4.73 3.77 1 122 PHE -4.70 4.58 1 123 PHE -2.01 2.52 1 126 TYR -3.29 0.93 1 127 THR -4.44 1.58 1 128 PHE 3.70 -1.71 1 129 GLU 2.60 -0.23 1 130 ASP -0.88 1.57 1 131 TRP -5.57 4.03 1 132 GLU -4.96 2.68 1 133 VAL 2.91 -1.95 1 134 ALA 0.55 0.68 1 135 SER -1.29 1.12 1 136 SER -0.95 0.12 1 137 VAL -4.16 3.33 1 138 GLU -0.11 0.64 1 140 LYS -0.27 0.07 1 141 LEU -0.87 -0.25 1 142 ASP 7.23 -2.31 1 143 GLU 3.44 -0.36 1 144 LYS -1.68 1.35 1 145 ASN -2.80 2.43 1 146 THR 0.36 0.03 1 147 ILE -4.32 3.30 1 149 HIS -1.81 1.58 1 150 THR -2.76 2.68 1 151 PHE -0.04 -0.43 1 152 LEU -5.34 4.27 1 153 HIS -6.10 4.81 1 154 LEU -4.33 2.50 1 155 ILE -3.09 1.94 1 156 ARG 3.10 -1.14 1 157 LYS 1.31 -0.16 1 158 LYS 0.61 0.91 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.88 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.43 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 3.15 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 THR 9.37 1.60 0 26 ASN 3.94 4.90 0 101 MET -0.61 3.90 0 102 ILE 5.29 -1.60 0 42 MET -9.88 -1.50 0 19 GLN -5.98 1.70 0 10 LEU 2.97 1.50 1 11 GLN -2.02 -1.20 1 13 VAL 4.43 2.00 1 14 ILE -1.95 -0.60 1 16 PHE -1.78 -0.90 1 17 GLU 4.17 -0.50 1 18 ASN 1.47 -1.00 1 27 ASP 1.24 0.50 1 28 LEU 5.47 2.60 1 29 LYS 3.95 2.40 1 30 HIS 1.86 3.50 1 31 VAL 4.72 3.40 1 32 LYS 4.68 2.40 1 33 LYS 4.45 3.30 1 34 LEU 1.48 0.30 1 35 SER -1.66 0.10 1 36 THR 5.75 -0.10 1 38 HIS -2.66 0.70 1 39 THR -1.18 -1.50 1 40 LEU -5.54 -2.00 1 41 VAL -2.42 -1.70 1 44 ARG 4.98 2.40 1 45 LYS 7.92 3.70 1 47 PHE 5.87 1.50 1 48 GLU 3.25 2.70 1 49 SER 3.00 2.40 1 50 ILE 3.96 3.30 1 56 ASN 3.61 -1.60 1 57 ARG -1.18 -2.80 1 58 ARG 0.62 -0.20 1 59 ASN -3.48 -2.80 1 60 VAL -2.35 -1.50 1 62 LEU -3.62 -3.50 1 64 SER 0.61 1.10 1 65 ASP -0.10 1.40 1 66 THR 2.94 1.40 1 67 SER -0.83 -0.20 1 68 PHE 1.86 0.00 1 69 ASN -0.79 -2.00 1 70 VAL -3.12 -1.00 1 71 GLU 2.05 1.20 1 73 VAL -2.93 -0.70 1 74 ASP -2.68 -1.70 1 75 VAL -3.12 0.20 1 76 ILE -4.54 -1.50 1 77 HIS -2.46 1.10 1 79 ILE 3.01 1.60 1 80 GLU 3.48 2.90 1 81 ASP 3.13 3.70 1 82 ILE 5.67 1.90 1 83 TYR 2.77 0.50 1 84 GLN -0.99 0.90 1 88 HIS -1.46 1.30 1 89 VAL -1.02 -2.50 1 90 PHE -2.45 0.30 1 91 ILE 1.71 -0.70 1 95 GLN 6.72 1.80 1 96 THR 6.02 2.90 1 97 LEU 2.55 2.30 1 99 GLU 3.49 2.50 1 100 GLU 0.38 1.40 1 103 ASP 1.12 0.30 1 104 LYS -2.54 1.70 1 105 VAL 0.96 -0.30 1 106 ASP 1.94 0.60 1 107 ASP -2.23 -2.10 1 108 MET -6.81 -2.20 1 109 TYR 0.10 0.30 1 110 ILE -4.53 -0.10 1 111 THR -0.59 -1.20 1 112 VAL 0.71 -0.10 1 113 ILE 0.06 0.00 1 114 GLU 1.74 -1.10 1 116 LYS -1.86 -1.20 1 117 PHE -3.05 -0.50 1 118 ARG 1.84 -0.40 1 120 ASP -2.94 -0.10 1 121 THR -4.73 0.10 1 122 PHE -4.70 -0.80 1 126 TYR -3.29 -1.50 1 127 THR -4.44 1.00 1 128 PHE 3.70 0.90 1 129 GLU 2.60 1.30 1 130 ASP -0.88 -0.60 1 131 TRP -5.57 -1.60 1 132 GLU -4.96 0.10 1 133 VAL 2.91 -0.20 1 134 ALA 0.55 1.20 1 135 SER -1.29 -1.60 1 136 SER -0.95 -0.50 1 137 VAL -4.16 -1.30 1 138 GLU -0.11 0.90 1 140 LYS -0.27 -0.60 1 142 ASP 7.23 2.30 1 143 GLU 3.44 1.30 1 144 LYS -1.68 -0.40 1 145 ASN -2.80 -1.10 1 146 THR 0.36 -0.20 1 149 HIS -1.81 -0.90 1 150 THR -2.76 -2.00 1 151 PHE -0.04 0.60 1 152 LEU -5.34 -0.30 1 154 LEU -4.33 -1.80 1 155 ILE -3.09 0.00 1 156 ARG 3.10 1.00 1 157 LYS 1.31 -0.70 1 stop_ save_