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 bmr18039_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.52 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 4.16 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 ALA -8.52 -2.15 0 85 PHE 0.87 -2.58 0 10 SER 4.13 3.32 1 12 VAL 0.73 -0.37 1 13 HIS 3.14 3.17 1 14 SER -1.04 -0.89 1 15 ASP 0.90 -1.91 1 16 ASN 3.89 2.23 1 17 LYS -6.95 -3.60 1 19 SER -4.87 -4.02 1 20 ARG 0.25 -0.58 1 21 ALA 1.40 1.39 1 23 THR 0.27 0.72 1 24 ILE 0.88 0.29 1 26 GLU -1.18 -0.83 1 28 VAL -1.98 -0.36 1 30 ASP 2.84 1.28 1 31 VAL -7.09 -3.76 1 32 SER -4.77 -2.07 1 33 LEU 4.15 3.15 1 34 GLU 4.83 3.75 1 35 GLN 2.94 2.38 1 37 ALA 2.71 1.95 1 38 ALA 3.80 2.47 1 39 GLN 5.31 2.50 1 41 LYS 3.10 2.63 1 42 ALA -0.50 0.06 1 43 VAL -0.68 -0.40 1 44 ASP 3.17 2.39 1 47 THR -0.15 0.72 1 48 HIS 0.54 0.52 1 49 PHE -6.02 -2.32 1 50 THR -0.86 2.03 1 51 TYR -4.66 -2.07 1 52 ASN -2.21 -0.88 1 53 ASP 0.49 2.39 1 54 ASP 2.63 1.67 1 55 SER -2.10 -1.12 1 56 LYS 5.81 1.10 1 57 MET -3.80 -1.61 1 59 HIS -3.19 -0.28 1 60 VAL 1.82 0.38 1 61 LYS -2.80 -0.23 1 62 GLU -6.66 -4.01 1 64 LYS 0.13 -0.22 1 66 ASP -1.67 -1.55 1 67 LEU -0.42 0.38 1 68 TYR -4.82 -2.87 1 69 ASP 2.07 1.50 1 70 LEU -4.61 -1.45 1 71 THR 5.25 3.73 1 74 LYS -0.66 -0.69 1 75 THR -2.62 -0.31 1 77 SER -1.27 -1.35 1 78 ARG 2.26 2.39 1 79 SER -3.95 -2.19 1 81 ASP 1.10 0.70 1 82 ARG -0.03 -1.16 1 83 SER 4.53 3.50 1 86 GLU -2.56 -1.44 1 87 GLN 1.28 1.03 1 88 HIS 2.31 0.87 1 89 VAL -2.77 -1.39 1 90 SER -5.55 -3.32 1 91 TYR -0.87 -1.09 1 92 GLU 2.03 2.31 1 94 ALA 0.13 -1.02 1 96 ASP -0.07 0.70 1 97 VAL -1.28 -1.54 1 98 MET -3.84 -1.04 1 99 THR 2.10 1.84 1 100 ALA -0.12 0.62 1 101 MET -6.74 -0.95 1 102 VAL -0.25 -0.87 1 103 THR 0.35 -2.46 1 104 SER 0.07 0.08 1 105 GLN -2.09 -2.73 1 106 SER 3.61 1.70 1 107 ALA 3.12 2.57 1 108 ASP 3.79 2.48 1 110 GLN 5.31 3.91 1 111 ALA 4.40 3.43 1 112 ALA 2.42 2.13 1 114 ALA 3.51 2.48 1 115 ALA -0.66 -0.19 1 116 ASP -6.89 -1.05 1 118 SER 1.13 1.24 1 120 GLU -2.60 0.53 1 121 ILE -7.43 -2.75 1 122 PHE -7.78 -2.94 1 123 THR -2.34 0.40 1 124 TYR -3.92 -1.75 1 125 ASN -2.30 -1.31 1 126 GLU 2.28 2.16 1 127 HIS 4.00 3.80 1 128 ASP -0.60 -0.69 1 129 GLN 4.71 1.05 1 130 LYS -5.86 -1.13 1 132 THR -3.93 -2.12 1 133 PHE -3.83 -0.22 1 134 LYS -4.02 -3.94 1 136 ARG 2.68 1.90 1 138 PHE 4.40 1.93 1 139 SER 5.35 3.85 1 140 ALA 1.41 0.70 1 141 PHE -0.56 -0.84 1 142 LYS 1.89 2.22 1 143 GLU -3.82 -1.26 1 144 ARG -2.31 -0.93 1 146 VAL 1.25 -0.53 1 147 LEU 1.98 0.92 1 149 VAL -5.45 -2.93 1 150 THR -2.65 -0.31 1 151 SER -4.30 -0.73 1 154 LYS 2.44 3.05 1 155 GLN -0.72 -0.89 1 156 PHE 2.81 1.93 1 158 ASP 1.56 -0.85 1 159 GLU -2.10 -1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18039_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.52 _LACS_plot.Line_1_terminator_val_y_1 5.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 -1.64 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 ALA -8.52 6.37 0 85 PHE 0.87 -3.45 0 10 SER 4.13 -0.81 1 12 VAL 0.73 -1.10 1 13 HIS 3.14 0.03 1 14 SER -1.04 0.15 1 15 ASP 0.90 -2.81 1 16 ASN 3.89 -1.66 1 17 LYS -6.95 3.35 1 19 SER -4.87 0.85 1 20 ARG 0.25 -0.83 1 21 ALA 1.40 -0.01 1 23 THR 0.27 0.45 1 24 ILE 0.88 -0.59 1 26 GLU -1.18 0.35 1 28 VAL -1.98 1.62 1 30 ASP 2.84 -1.56 1 31 VAL -7.09 3.33 1 32 SER -4.77 2.70 1 33 LEU 4.15 -1.00 1 34 GLU 4.83 -1.08 1 35 GLN 2.94 -0.56 1 37 ALA 2.71 -0.76 1 38 ALA 3.80 -1.33 1 39 GLN 5.31 -2.81 1 41 LYS 3.10 -0.47 1 42 ALA -0.50 0.56 1 43 VAL -0.68 0.28 1 44 ASP 3.17 -0.78 1 47 THR -0.15 0.87 1 48 HIS 0.54 -0.02 1 49 PHE -6.02 3.70 1 50 THR -0.86 2.89 1 51 TYR -4.66 2.59 1 52 ASN -2.21 1.33 1 53 ASP 0.49 1.90 1 54 ASP 2.63 -0.96 1 55 SER -2.10 0.98 1 56 LYS 5.81 -4.71 1 57 MET -3.80 2.19 1 59 HIS -3.19 2.91 1 60 VAL 1.82 -1.44 1 61 LYS -2.80 2.57 1 62 GLU -6.66 2.65 1 64 LYS 0.13 -0.35 1 66 ASP -1.67 0.12 1 67 LEU -0.42 0.80 1 68 TYR -4.82 1.95 1 69 ASP 2.07 -0.57 1 70 LEU -4.61 3.16 1 71 THR 5.25 -1.52 1 74 LYS -0.66 -0.03 1 75 THR -2.62 2.31 1 77 SER -1.27 -0.08 1 78 ARG 2.26 0.13 1 79 SER -3.95 1.76 1 81 ASP 1.10 -0.40 1 82 ARG -0.03 -1.13 1 83 SER 4.53 -1.03 1 86 GLU -2.56 1.12 1 87 GLN 1.28 -0.25 1 88 HIS 2.31 -1.44 1 89 VAL -2.77 1.38 1 90 SER -5.55 2.23 1 91 TYR -0.87 -0.22 1 92 GLU 2.03 0.28 1 94 ALA 0.13 -1.15 1 96 ASP -0.07 0.77 1 97 VAL -1.28 -0.26 1 98 MET -3.84 2.80 1 99 THR 2.10 -0.26 1 100 ALA -0.12 0.74 1 101 MET -6.74 5.79 1 102 VAL -0.25 -0.62 1 103 THR 0.35 -2.81 1 104 SER 0.07 0.01 1 105 GLN -2.09 -0.64 1 106 SER 3.61 -1.91 1 107 ALA 3.12 -0.55 1 108 ASP 3.79 -1.31 1 110 GLN 5.31 -1.40 1 111 ALA 4.40 -0.97 1 112 ALA 2.42 -0.29 1 114 ALA 3.51 -1.03 1 115 ALA -0.66 0.47 1 116 ASP -6.89 5.84 1 118 SER 1.13 0.11 1 120 GLU -2.60 3.13 1 121 ILE -7.43 4.68 1 122 PHE -7.78 4.84 1 123 THR -2.34 2.74 1 124 TYR -3.92 2.17 1 125 ASN -2.30 0.99 1 126 GLU 2.28 -0.12 1 127 HIS 4.00 -0.20 1 128 ASP -0.60 -0.09 1 129 GLN 4.71 -3.66 1 130 LYS -5.86 4.73 1 132 THR -3.93 1.81 1 133 PHE -3.83 3.61 1 134 LYS -4.02 0.08 1 136 ARG 2.68 -0.78 1 138 PHE 4.40 -2.47 1 139 SER 5.35 -1.50 1 140 ALA 1.41 -0.71 1 141 PHE -0.56 -0.28 1 142 LYS 1.89 0.33 1 143 GLU -3.82 2.56 1 144 ARG -2.31 1.38 1 146 VAL 1.25 -1.78 1 147 LEU 1.98 -1.06 1 149 VAL -5.45 2.52 1 150 THR -2.65 2.34 1 151 SER -4.30 3.57 1 154 LYS 2.44 0.61 1 155 GLN -0.72 -0.17 1 156 PHE 2.81 -0.88 1 158 ASP 1.56 -2.41 1 159 GLU -2.10 0.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18039_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.52 _LACS_plot.Line_1_terminator_val_y_1 1.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ALA 0.13 -1.88 0 12 VAL 0.73 -0.15 1 13 HIS 3.14 -0.38 1 14 SER -1.04 0.29 1 15 ASP 0.90 0.09 1 16 ASN 3.89 -0.17 1 17 LYS -6.95 0.95 1 19 SER -4.87 1.06 1 20 ARG 0.25 0.07 1 21 ALA 1.40 -0.16 1 23 THR 0.27 0.16 1 24 ILE 0.88 -0.24 1 26 GLU -1.18 0.00 1 28 VAL -1.98 -0.02 1 30 ASP 2.84 -0.41 1 31 VAL -7.09 0.81 1 32 SER -4.77 0.10 1 33 LEU 4.15 -1.81 1 34 GLU 4.83 -0.79 1 35 GLN 2.94 -0.44 1 37 ALA 2.71 -1.14 1 38 ALA 3.80 -0.48 1 39 GLN 5.31 -0.38 1 41 LYS 3.10 -0.63 1 42 ALA -0.50 -0.04 1 43 VAL -0.68 0.01 1 44 ASP 3.17 -0.29 1 47 THR -0.15 0.11 1 48 HIS 0.54 0.19 1 49 PHE -6.02 0.74 1 50 THR -0.86 0.34 1 51 TYR -4.66 0.88 1 52 ASN -2.21 0.12 1 53 ASP 0.49 -0.29 1 54 ASP 2.63 -0.15 1 55 SER -2.10 -0.12 1 56 LYS 5.81 -0.55 1 57 MET -3.80 0.42 1 59 HIS -3.19 0.03 1 60 VAL 1.82 0.13 1 61 LYS -2.80 0.78 1 62 GLU -6.66 0.88 1 64 LYS 0.13 -0.54 1 66 ASP -1.67 0.25 1 67 LEU -0.42 0.83 1 68 TYR -4.82 0.31 1 69 ASP 2.07 0.03 1 70 LEU -4.61 0.03 1 71 THR 5.25 -0.62 1 74 LYS -0.66 0.61 1 75 THR -2.62 1.20 1 76 ALA -8.52 0.42 1 77 SER -1.27 -0.33 1 78 ARG 2.26 -0.61 1 79 SER -3.95 0.08 1 81 ASP 1.10 -0.10 1 82 ARG -0.03 -0.75 1 83 SER 4.53 -0.48 1 85 PHE 0.87 0.51 1 86 GLU -2.56 0.31 1 87 GLN 1.28 0.07 1 88 HIS 2.31 0.39 1 89 VAL -2.77 0.63 1 90 SER -5.55 -0.06 1 91 TYR -0.87 0.40 1 92 GLU 2.03 -0.49 1 96 ASP -0.07 0.48 1 97 VAL -1.28 0.36 1 98 MET -3.84 0.04 1 99 THR 2.10 -0.25 1 100 ALA -0.12 0.34 1 101 MET -6.74 0.44 1 102 VAL -0.25 1.08 1 103 THR 0.35 0.41 1 104 SER 0.07 0.00 1 105 GLN -2.09 0.16 1 106 SER 3.61 -1.44 1 107 ALA 3.12 -0.22 1 108 ASP 3.79 -0.62 1 110 GLN 5.31 -1.10 1 111 ALA 4.40 -0.18 1 112 ALA 2.42 -0.55 1 114 ALA 3.51 -0.62 1 115 ALA -0.66 -0.05 1 116 ASP -6.89 0.20 1 118 SER 1.13 -0.05 1 120 GLU -2.60 0.24 1 121 ILE -7.43 0.37 1 122 PHE -7.78 1.17 1 123 THR -2.34 0.51 1 124 TYR -3.92 0.82 1 125 ASN -2.30 0.10 1 126 GLU 2.28 -0.74 1 127 HIS 4.00 -0.41 1 128 ASP -0.60 -0.21 1 129 GLN 4.71 -0.91 1 130 LYS -5.86 0.80 1 132 THR -3.93 0.38 1 133 PHE -3.83 0.69 1 134 LYS -4.02 0.78 1 136 ARG 2.68 -0.13 1 138 PHE 4.40 -0.28 1 139 SER 5.35 -1.17 1 140 ALA 1.41 -0.24 1 141 PHE -0.56 -0.06 1 142 LYS 1.89 -0.88 1 143 GLU -3.82 0.19 1 144 ARG -2.31 0.46 1 146 VAL 1.25 -0.30 1 147 LEU 1.98 -0.57 1 149 VAL -5.45 1.45 1 150 THR -2.65 0.73 1 151 SER -4.30 0.90 1 154 LYS 2.44 -1.05 1 155 GLN -0.72 -0.29 1 156 PHE 2.81 -0.58 1 158 ASP 1.56 0.00 1 159 GLU -2.10 0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18039_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.52 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 5.80 _LACS_plot.Line_2_terminator_val_y_2 1.28 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 HIS 0.54 9.02 0 12 VAL 0.73 0.01 1 13 HIS 3.14 1.39 1 14 SER -1.04 -0.64 1 15 ASP 0.90 -1.04 1 16 ASN 3.89 -0.01 1 17 LYS -6.95 0.26 1 19 SER -4.87 1.50 1 20 ARG 0.25 -0.73 1 21 ALA 1.40 -0.40 1 23 THR 0.27 -0.50 1 24 ILE 0.88 -0.56 1 26 GLU -1.18 0.27 1 30 ASP 2.84 -0.80 1 31 VAL -7.09 -0.39 1 32 SER -4.77 -0.34 1 33 LEU 4.15 0.39 1 34 GLU 4.83 2.52 1 35 GLN 2.94 2.91 1 37 ALA 2.71 3.24 1 38 ALA 3.80 2.28 1 39 GLN 5.31 1.84 1 41 LYS 3.10 0.14 1 42 ALA -0.50 -0.57 1 43 VAL -0.68 -0.34 1 44 ASP 3.17 0.76 1 47 THR -0.15 -0.84 1 49 PHE -6.02 -2.15 1 50 THR -0.86 -2.43 1 51 TYR -4.66 -2.84 1 52 ASN -2.21 -0.88 1 53 ASP 0.49 0.29 1 54 ASP 2.63 1.06 1 55 SER -2.10 0.39 1 56 LYS 5.81 -3.37 1 57 MET -3.80 -1.31 1 59 HIS -3.19 0.39 1 60 VAL 1.82 -1.13 1 61 LYS -2.80 -2.44 1 62 GLU -6.66 -1.60 1 66 ASP -1.67 0.03 1 67 LEU -0.42 -0.03 1 68 TYR -4.82 -2.77 1 69 ASP 2.07 -2.44 1 70 LEU -4.61 -2.53 1 71 THR 5.25 0.52 1 74 LYS -0.66 -1.41 1 75 THR -2.62 -2.03 1 76 ALA -8.52 -3.57 1 77 SER -1.27 -3.35 1 78 ARG 2.26 -0.67 1 79 SER -3.95 -0.23 1 81 ASP 1.10 -0.38 1 82 ARG -0.03 2.87 1 83 SER 4.53 -0.10 1 85 PHE 0.87 0.02 1 86 GLU -2.56 -0.90 1 87 GLN 1.28 0.13 1 88 HIS 2.31 -0.01 1 89 VAL -2.77 -1.81 1 90 SER -5.55 -2.33 1 91 TYR -0.87 1.36 1 92 GLU 2.03 -0.07 1 94 ALA 0.13 -1.27 1 96 ASP -0.07 2.84 1 97 VAL -1.28 -1.41 1 98 MET -3.84 -2.13 1 99 THR 2.10 -1.43 1 100 ALA -0.12 -0.13 1 101 MET -6.74 -2.37 1 102 VAL -0.25 0.14 1 103 THR 0.35 -3.02 1 104 SER 0.07 -0.59 1 105 GLN -2.09 -1.47 1 106 SER 3.61 1.79 1 107 ALA 3.12 2.03 1 108 ASP 3.79 2.68 1 110 GLN 5.31 0.33 1 111 ALA 4.40 0.47 1 112 ALA 2.42 0.01 1 114 ALA 3.51 1.11 1 115 ALA -0.66 -1.00 1 116 ASP -6.89 0.10 1 118 SER 1.13 5.67 1 120 GLU -2.60 -0.93 1 121 ILE -7.43 -3.70 1 122 PHE -7.78 -2.74 1 123 THR -2.34 -2.30 1 124 TYR -3.92 -2.58 1 125 ASN -2.30 -0.21 1 126 GLU 2.28 1.53 1 127 HIS 4.00 2.69 1 128 ASP -0.60 -1.74 1 129 GLN 4.71 -2.84 1 130 LYS -5.86 -0.29 1 132 THR -3.93 -0.61 1 133 PHE -3.83 -0.97 1 134 LYS -4.02 -0.78 1 136 ARG 2.68 1.47 1 138 PHE 4.40 0.86 1 139 SER 5.35 1.37 1 140 ALA 1.41 -0.40 1 141 PHE -0.56 -1.56 1 142 LYS 1.89 -0.61 1 143 GLU -3.82 -2.16 1 144 ARG -2.31 0.21 1 146 VAL 1.25 -1.76 1 147 LEU 1.98 1.44 1 149 VAL -5.45 -1.18 1 150 THR -2.65 -1.90 1 151 SER -4.30 -3.25 1 154 LYS 2.44 -2.97 1 155 GLN -0.72 -1.10 1 156 PHE 2.81 3.21 1 158 ASP 1.56 -0.38 1 159 GLU -2.10 -0.07 1 stop_ save_