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 bmr19736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 6.59 _LACS_plot.Line_2_terminator_val_y_2 5.11 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 GLN -5.46 -0.16 0 90 HIS -3.29 1.75 0 11 ASP -0.76 -0.36 1 12 VAL 0.64 0.14 1 13 ARG -0.66 -0.26 1 14 ASP -0.46 -0.06 1 15 ILE -0.15 -0.16 1 16 GLU -0.86 -0.36 1 17 GLU -0.76 -0.06 1 18 THR -1.16 -0.46 1 21 ASP -0.17 -0.07 1 22 PHE -0.32 -0.26 1 23 GLN -1.90 -0.89 1 27 VAL 0.09 0.00 1 28 SER -0.45 -0.25 1 29 ALA -0.35 -0.10 1 30 ASP -0.46 -0.16 1 31 LEU -1.43 -0.48 1 32 ALA -1.06 -0.46 1 33 GLU 2.04 2.04 1 34 ASP 1.90 1.20 1 35 GLU 2.05 2.12 1 36 ILE 0.47 -0.01 1 37 ALA -0.16 -0.16 1 38 MET -0.51 -0.39 1 39 VAL -0.03 -0.26 1 42 ASP 2.90 3.02 1 43 ILE 6.29 4.67 1 44 ASP 3.18 3.24 1 45 ASP 3.39 2.56 1 46 THR 6.59 5.29 1 47 ILE 5.23 4.43 1 48 LYS 1.92 2.04 1 49 SER 0.18 1.42 1 50 GLU -3.00 -2.38 1 51 ASP 4.21 4.00 1 52 VAL -2.28 -0.58 1 53 VAL -5.76 -2.36 1 54 THR -6.76 -3.86 1 55 PHE -3.46 -1.16 1 56 ILE -7.60 -2.22 1 57 LYS 3.35 3.32 1 59 LEU -2.71 -1.51 1 61 GLU -0.11 -0.11 1 62 ALA -0.59 0.09 1 64 MET -1.29 -1.25 1 66 ALA 2.93 2.10 1 67 TYR 3.54 1.94 1 68 SER 6.34 5.64 1 69 LYS 3.84 3.14 1 70 ARG 3.74 2.84 1 71 MET 2.84 2.24 1 72 ILE 4.04 0.40 1 73 ASP 4.05 2.98 1 74 VAL 5.82 4.49 1 75 LEU 4.09 2.66 1 76 GLU 2.04 1.64 1 77 ALA 3.54 2.14 1 78 LEU 0.24 -0.26 1 80 LEU -2.25 -1.15 1 81 GLU -1.96 -1.36 1 82 TYR -5.16 -2.36 1 83 THR -0.84 0.44 1 84 SER -5.08 -2.56 1 85 PHE -4.57 -0.62 1 86 ASP -3.66 -2.46 1 87 VAL 2.64 0.74 1 88 LEU 1.74 -0.06 1 89 ALA 0.64 1.14 1 92 VAL 3.50 2.30 1 93 VAL 5.34 4.14 1 94 ARG 3.36 3.36 1 95 SER 2.94 2.14 1 96 TYR 2.89 2.91 1 97 VAL 4.84 3.04 1 98 LYS 2.74 2.14 1 99 GLU 1.54 1.54 1 100 VAL 2.84 2.44 1 101 SER -0.88 -0.40 1 102 GLU 0.47 1.00 1 105 THR -0.76 -0.56 1 109 LEU -5.38 -0.96 1 110 PHE -4.06 -1.16 1 111 ILE -4.34 -2.24 1 112 LYS 2.74 0.11 1 113 ALA 1.29 0.72 1 114 GLU -5.13 -2.46 1 115 PHE 0.94 -0.16 1 116 VAL 0.14 0.04 1 120 ASP 1.07 -0.23 1 121 ILE 2.53 1.44 1 122 VAL 6.24 5.14 1 123 THR 5.79 4.69 1 124 LYS 4.39 3.22 1 125 MET 1.20 2.80 1 126 LEU 3.01 2.53 1 127 GLU 1.88 1.98 1 128 SER -0.06 0.64 1 130 ASP 3.14 3.04 1 131 LEU 3.80 2.60 1 132 LYS 4.21 3.34 1 133 LYS 4.16 3.73 1 134 MET 4.05 3.18 1 135 LEU 4.61 3.25 1 136 ARG 4.40 2.98 1 137 ASP 3.41 2.74 1 138 LYS -0.60 -0.90 1 140 ILE -0.57 -0.66 1 141 THR 1.13 1.04 1 143 ARG -0.03 0.26 1 144 ASP -0.26 -0.26 1 145 LEU 0.02 1.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 3.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 6.59 _LACS_plot.Line_2_terminator_val_y_2 -1.48 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 GLN -5.46 5.30 0 90 HIS -3.29 5.04 0 11 ASP -0.76 0.40 1 12 VAL 0.64 -0.50 1 13 ARG -0.66 0.40 1 14 ASP -0.46 0.40 1 15 ILE -0.15 -0.01 1 16 GLU -0.86 0.50 1 17 GLU -0.76 0.70 1 18 THR -1.16 0.70 1 21 ASP -0.17 0.10 1 22 PHE -0.32 0.06 1 23 GLN -1.90 1.01 1 27 VAL 0.09 -0.09 1 28 SER -0.45 0.20 1 29 ALA -0.35 0.25 1 30 ASP -0.46 0.30 1 31 LEU -1.43 0.95 1 32 ALA -1.06 0.60 1 33 GLU 2.04 0.00 1 34 ASP 1.90 -0.70 1 35 GLU 2.05 0.07 1 36 ILE 0.47 -0.48 1 37 ALA -0.16 0.00 1 38 MET -0.51 0.12 1 39 VAL -0.03 -0.23 1 42 ASP 2.90 0.12 1 43 ILE 6.29 -1.62 1 44 ASP 3.18 0.06 1 45 ASP 3.39 -0.83 1 46 THR 6.59 -1.30 1 47 ILE 5.23 -0.80 1 48 LYS 1.92 0.12 1 49 SER 0.18 1.24 1 50 GLU -3.00 0.62 1 51 ASP 4.21 -0.21 1 52 VAL -2.28 1.70 1 53 VAL -5.76 3.40 1 54 THR -6.76 2.90 1 55 PHE -3.46 2.30 1 56 ILE -7.60 5.38 1 57 LYS 3.35 -0.03 1 59 LEU -2.71 1.20 1 61 GLU -0.11 0.00 1 62 ALA -0.59 0.68 1 64 MET -1.29 0.04 1 66 ALA 2.93 -0.83 1 67 TYR 3.54 -1.60 1 68 SER 6.34 -0.70 1 69 LYS 3.84 -0.70 1 70 ARG 3.74 -0.90 1 71 MET 2.84 -0.60 1 72 ILE 4.04 -3.64 1 73 ASP 4.05 -1.07 1 74 VAL 5.82 -1.33 1 75 LEU 4.09 -1.43 1 76 GLU 2.04 -0.40 1 77 ALA 3.54 -1.40 1 78 LEU 0.24 -0.50 1 80 LEU -2.25 1.10 1 81 GLU -1.96 0.60 1 82 TYR -5.16 2.80 1 83 THR -0.84 1.28 1 84 SER -5.08 2.52 1 85 PHE -4.57 3.95 1 86 ASP -3.66 1.20 1 87 VAL 2.64 -1.90 1 88 LEU 1.74 -1.80 1 89 ALA 0.64 0.50 1 92 VAL 3.50 -1.20 1 93 VAL 5.34 -1.20 1 94 ARG 3.36 0.00 1 95 SER 2.94 -0.80 1 96 TYR 2.89 0.02 1 97 VAL 4.84 -1.80 1 98 LYS 2.74 -0.60 1 99 GLU 1.54 0.00 1 100 VAL 2.84 -0.40 1 101 SER -0.88 0.48 1 102 GLU 0.47 0.53 1 105 THR -0.76 0.20 1 109 LEU -5.38 4.42 1 110 PHE -4.06 2.90 1 111 ILE -4.34 2.10 1 112 LYS 2.74 -2.63 1 113 ALA 1.29 -0.57 1 114 GLU -5.13 2.67 1 115 PHE 0.94 -1.10 1 116 VAL 0.14 -0.10 1 120 ASP 1.07 -1.30 1 121 ILE 2.53 -1.09 1 122 VAL 6.24 -1.10 1 123 THR 5.79 -1.10 1 124 LYS 4.39 -1.17 1 125 MET 1.20 1.60 1 126 LEU 3.01 -0.48 1 127 GLU 1.88 0.10 1 128 SER -0.06 0.70 1 130 ASP 3.14 -0.10 1 131 LEU 3.80 -1.20 1 132 LYS 4.21 -0.87 1 133 LYS 4.16 -0.43 1 134 MET 4.05 -0.87 1 135 LEU 4.61 -1.36 1 136 ARG 4.40 -1.42 1 137 ASP 3.41 -0.67 1 138 LYS -0.60 -0.30 1 140 ILE -0.57 -0.09 1 141 THR 1.13 -0.09 1 143 ARG -0.03 0.29 1 144 ASP -0.26 0.00 1 145 LEU 0.02 1.39 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 0.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 6.59 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 100 VAL 2.84 0.67 0 115 PHE 0.94 -1.11 0 54 THR -6.76 1.52 0 11 ASP -0.76 -0.01 1 12 VAL 0.64 -0.02 1 13 ARG -0.66 0.01 1 14 ASP -0.46 -0.03 1 15 ILE -0.15 -0.02 1 16 GLU -0.86 -0.11 1 17 GLU -0.76 -0.24 1 18 THR -1.16 -0.09 1 21 ASP -0.17 -0.04 1 22 PHE -0.32 -0.07 1 23 GLN -1.90 -0.09 1 27 VAL 0.09 0.12 1 28 SER -0.45 -0.07 1 29 ALA -0.35 0.02 1 30 ASP -0.46 -0.04 1 31 LEU -1.43 0.04 1 32 ALA -1.06 0.07 1 33 GLU 2.04 -0.29 1 34 ASP 1.90 -0.17 1 35 GLU 2.05 -0.22 1 36 ILE 0.47 -0.09 1 37 ALA -0.16 -0.02 1 38 MET -0.51 -0.06 1 39 VAL -0.03 -0.05 1 42 ASP 2.90 -0.17 1 43 ILE 6.29 -0.74 1 44 ASP 3.18 -0.41 1 45 ASP 3.39 -0.29 1 46 THR 6.59 -0.26 1 47 ILE 5.23 -0.56 1 48 LYS 1.92 -0.18 1 50 GLU -3.00 -0.26 1 51 ASP 4.21 -0.30 1 52 VAL -2.28 0.79 1 53 VAL -5.76 1.14 1 55 PHE -3.46 0.83 1 56 ILE -7.60 0.63 1 57 LYS 3.35 0.26 1 59 LEU -2.71 0.20 1 61 GLU -0.11 -0.11 1 62 ALA -0.59 -0.04 1 64 MET -1.29 0.29 1 66 ALA 2.93 -0.21 1 67 TYR 3.54 -0.21 1 68 SER 6.34 -0.19 1 69 LYS 3.84 -0.46 1 70 ARG 3.74 -0.18 1 71 MET 2.84 -0.42 1 72 ILE 4.04 -0.62 1 73 ASP 4.05 -0.31 1 74 VAL 5.82 -0.55 1 75 LEU 4.09 -0.58 1 76 GLU 2.04 -0.04 1 77 ALA 3.54 -0.17 1 78 LEU 0.24 -0.10 1 80 LEU -2.25 0.11 1 81 GLU -1.96 0.14 1 82 TYR -5.16 0.76 1 83 THR -0.84 -0.05 1 84 SER -5.08 1.02 1 85 PHE -4.57 -0.05 1 86 ASP -3.66 0.72 1 87 VAL 2.64 0.15 1 88 LEU 1.74 -0.03 1 89 ALA 0.64 -0.14 1 90 HIS -3.29 -0.21 1 92 VAL 3.50 -0.01 1 93 VAL 5.34 -0.59 1 94 ARG 3.36 -0.51 1 95 SER 2.94 -0.28 1 96 TYR 2.89 -0.19 1 97 VAL 4.84 -0.89 1 98 LYS 2.74 -0.26 1 99 GLU 1.54 -0.40 1 101 SER -0.88 0.08 1 102 GLU 0.47 -0.11 1 105 THR -0.76 -0.03 1 108 GLN -5.46 0.69 1 109 LEU -5.38 1.01 1 110 PHE -4.06 0.64 1 111 ILE -4.34 0.98 1 112 LYS 2.74 -0.14 1 113 ALA 1.29 -0.47 1 114 GLU -5.13 0.39 1 116 VAL 0.14 -0.44 1 120 ASP 1.07 0.21 1 121 ILE 2.53 -0.34 1 122 VAL 6.24 -0.82 1 123 THR 5.79 -0.53 1 124 LYS 4.39 -0.19 1 125 MET 1.20 -0.15 1 126 LEU 3.01 -0.15 1 127 GLU 1.88 -0.33 1 128 SER -0.06 -0.05 1 130 ASP 3.14 -0.17 1 131 LEU 3.80 -0.27 1 132 LYS 4.21 -0.40 1 133 LYS 4.16 -0.99 1 134 MET 4.05 -0.36 1 135 LEU 4.61 -0.57 1 136 ARG 4.40 -0.21 1 137 ASP 3.41 -0.25 1 138 LYS -0.60 0.06 1 140 ILE -0.57 -0.05 1 141 THR 1.13 -0.23 1 143 ARG -0.03 -0.06 1 144 ASP -0.26 -0.04 1 145 LEU 0.02 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.60 _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 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.59 _LACS_plot.Line_2_terminator_val_y_2 2.05 _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 145 LEU 0.02 4.67 0 86 ASP -3.66 3.41 0 11 ASP -0.76 -0.09 1 12 VAL 0.64 -0.24 1 13 ARG -0.66 -0.43 1 14 ASP -0.46 -0.21 1 15 ILE -0.15 -0.34 1 16 GLU -0.86 0.28 1 17 GLU -0.76 -0.35 1 18 THR -1.16 -0.76 1 21 ASP -0.17 -0.34 1 22 PHE -0.32 -0.77 1 23 GLN -1.90 -1.34 1 27 VAL 0.09 -0.48 1 28 SER -0.45 -0.38 1 29 ALA -0.35 -0.51 1 30 ASP -0.46 -0.34 1 31 LEU -1.43 -0.79 1 32 ALA -1.06 0.69 1 33 GLU 2.04 1.42 1 34 ASP 1.90 1.22 1 35 GLU 2.05 1.64 1 36 ILE 0.47 -0.08 1 37 ALA -0.16 -0.11 1 38 MET -0.51 -0.19 1 39 VAL -0.03 -0.46 1 42 ASP 2.90 3.52 1 43 ILE 6.29 0.61 1 44 ASP 3.18 2.85 1 45 ASP 3.39 3.08 1 46 THR 6.59 1.15 1 47 ILE 5.23 1.11 1 48 LYS 1.92 1.27 1 49 SER 0.18 0.00 1 50 GLU -3.00 0.27 1 51 ASP 4.21 -0.01 1 52 VAL -2.28 -1.95 1 53 VAL -5.76 -2.10 1 54 THR -6.76 -3.99 1 55 PHE -3.46 -0.85 1 56 ILE -7.60 -2.38 1 57 LYS 3.35 -0.83 1 59 LEU -2.71 0.92 1 61 GLU -0.11 -0.25 1 62 ALA -0.59 -3.63 1 64 MET -1.29 -1.12 1 66 ALA 2.93 2.41 1 67 TYR 3.54 2.74 1 68 SER 6.34 0.18 1 69 LYS 3.84 0.37 1 70 ARG 3.74 1.68 1 71 MET 2.84 0.60 1 72 ILE 4.04 1.10 1 73 ASP 4.05 3.81 1 74 VAL 5.82 0.52 1 75 LEU 4.09 2.15 1 76 GLU 2.04 4.37 1 77 ALA 3.54 2.34 1 78 LEU 0.24 -0.53 1 80 LEU -2.25 -0.67 1 81 GLU -1.96 -0.66 1 82 TYR -5.16 -2.24 1 83 THR -0.84 -2.76 1 84 SER -5.08 -0.63 1 85 PHE -4.57 -2.27 1 87 VAL 2.64 -0.06 1 88 LEU 1.74 1.11 1 89 ALA 0.64 -0.11 1 90 HIS -3.29 1.59 1 92 VAL 3.50 1.12 1 93 VAL 5.34 0.28 1 94 ARG 3.36 0.69 1 95 SER 2.94 2.45 1 96 TYR 2.89 1.74 1 97 VAL 4.84 -0.29 1 98 LYS 2.74 2.43 1 99 GLU 1.54 1.52 1 100 VAL 2.84 1.29 1 101 SER -0.88 0.21 1 102 GLU 0.47 -2.11 1 105 THR -0.76 -1.52 1 108 GLN -5.46 -1.47 1 109 LEU -5.38 -5.02 1 110 PHE -4.06 -1.31 1 111 ILE -4.34 -0.16 1 112 LYS 2.74 -0.81 1 113 ALA 1.29 -1.92 1 114 GLU -5.13 -1.38 1 115 PHE 0.94 -0.70 1 116 VAL 0.14 -1.90 1 121 ILE 2.53 1.12 1 122 VAL 6.24 1.24 1 123 THR 5.79 2.15 1 124 LYS 4.39 2.93 1 125 MET 1.20 3.27 1 126 LEU 3.01 1.96 1 127 GLU 1.88 1.63 1 128 SER -0.06 1.24 1 130 ASP 3.14 2.08 1 131 LEU 3.80 -0.64 1 132 LYS 4.21 1.46 1 133 LYS 4.16 0.82 1 134 MET 4.05 1.57 1 135 LEU 4.61 0.86 1 136 ARG 4.40 4.69 1 137 ASP 3.41 2.10 1 138 LYS -0.60 -0.45 1 140 ILE -0.57 -1.15 1 141 THR 1.13 -1.61 1 143 ARG -0.03 -0.79 1 144 ASP -0.26 -1.46 1 stop_ save_