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 bmr15685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.38 _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 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 3.65 _LACS_plot.Line_2_terminator_val_y_2 2.27 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 HIS -1.00 2.46 0 99 ALA -9.38 -1.61 0 10 THR 0.76 -0.16 1 11 LYS -4.86 -1.33 1 12 ALA -5.79 -1.01 1 13 THR 1.73 1.78 1 14 LEU -5.24 -1.67 1 15 GLU -5.06 -2.63 1 16 GLU 0.43 0.75 1 18 GLN -4.06 -1.00 1 19 GLN -5.42 -2.42 1 20 LEU -5.24 -2.12 1 21 THR -0.60 0.47 1 22 LEU -4.86 -1.89 1 23 THR 1.66 0.66 1 24 PHE -3.70 -1.51 1 25 ILE -1.25 0.17 1 26 SER -2.81 -1.56 1 27 THR 1.96 1.58 1 28 LYS 0.27 1.35 1 29 LEU -5.46 -1.67 1 30 ASP -3.47 -0.54 1 31 VAL -3.93 -1.53 1 32 ALA -3.70 -1.53 1 33 VAL 1.44 -1.01 1 35 SER -0.83 -0.90 1 38 SER -2.71 -0.69 1 39 LEU -2.93 -0.18 1 40 VAL -4.37 -1.75 1 41 ALA -2.21 -2.28 1 42 ASN -1.52 -1.76 1 43 PHE 1.75 0.06 1 44 LEU 3.66 2.77 1 45 ASP -0.53 0.57 1 47 PHE -2.65 -0.75 1 48 LEU -3.23 -1.30 1 49 LYS -4.82 -1.58 1 50 PHE -5.94 -2.03 1 51 GLN -4.36 -1.00 1 52 THR -0.36 -0.01 1 56 SER -0.11 -0.05 1 57 ALA -0.74 -0.39 1 58 PHE -2.74 -1.11 1 59 ASP -4.94 -0.79 1 60 VAL -4.36 -1.49 1 61 VAL -3.08 -1.08 1 62 GLU 2.04 1.83 1 63 VAL -1.80 -1.20 1 64 GLU -1.32 -0.09 1 65 GLU 1.11 1.69 1 67 ALA -1.83 -0.11 1 70 ALA -4.97 -0.93 1 71 VAL -3.11 -0.86 1 72 LEU -6.95 -2.19 1 73 THR -1.10 -0.46 1 74 ILE -3.79 -1.25 1 76 LEU -3.90 -1.82 1 78 HIS 0.25 1.88 1 79 LYS 3.31 0.66 1 81 ARG 1.60 1.29 1 82 LEU -5.84 -1.67 1 83 ALA -6.16 -2.20 1 84 VAL -1.85 -1.26 1 85 VAL -4.13 -1.95 1 86 LEU -4.94 -1.44 1 87 ASP -4.44 -0.62 1 88 TYR -3.36 -2.23 1 89 THR 1.84 1.44 1 90 ARG -3.46 -0.48 1 91 LEU 2.52 2.21 1 92 ASN 1.87 0.30 1 93 ALA 2.84 1.42 1 94 ALA -2.13 -0.95 1 95 LEU -2.48 -0.69 1 97 SER -1.84 0.32 1 98 ALA -5.87 -1.61 1 100 TYR -6.57 -2.53 1 101 VAL -5.20 -2.13 1 102 VAL -1.17 -1.08 1 103 GLU 1.73 1.91 1 104 ASP -0.41 -0.99 1 105 SER 1.41 2.59 1 108 SER -0.84 -0.24 1 109 SER 2.17 1.84 1 110 SER -0.59 -0.25 1 111 GLU -7.37 -2.72 1 112 GLU -1.40 -0.48 1 113 VAL -0.72 -1.08 1 114 SER -2.41 -1.21 1 115 PHE -3.84 -1.28 1 116 GLN -2.80 -0.18 1 118 VAL 1.66 0.10 1 120 SER -0.32 0.06 1 122 ALA -0.94 0.41 1 123 THR -4.53 -1.80 1 124 LEU -5.62 -1.30 1 125 VAL -4.60 -1.53 1 126 VAL -1.84 -0.93 1 127 THR -4.31 -2.40 1 128 THR 2.33 2.08 1 129 LEU 2.21 1.32 1 131 GLU -0.96 -0.78 1 132 SER 0.19 0.32 1 134 THR 0.77 0.37 1 135 ALA 0.05 0.40 1 136 VAL 1.29 0.93 1 137 SER 0.56 0.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 6.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.14 _LACS_plot.Line_2_terminator_val_x_2 3.65 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 HIS -1.00 3.46 0 99 ALA -9.38 7.77 0 10 THR 0.76 -0.92 1 11 LYS -4.86 3.53 1 12 ALA -5.79 4.78 1 13 THR 1.73 0.05 1 14 LEU -5.24 3.57 1 15 GLU -5.06 2.43 1 16 GLU 0.43 0.32 1 18 GLN -4.06 3.06 1 19 GLN -5.42 3.00 1 20 LEU -5.24 3.12 1 21 THR -0.60 1.07 1 22 LEU -4.86 2.97 1 23 THR 1.66 -1.00 1 24 PHE -3.70 2.19 1 25 ILE -1.25 1.42 1 26 SER -2.81 1.25 1 27 THR 1.96 -0.38 1 28 LYS 0.27 1.08 1 29 LEU -5.46 3.79 1 30 ASP -3.47 2.93 1 31 VAL -3.93 2.40 1 32 ALA -3.70 2.17 1 33 VAL 1.44 -2.45 1 35 SER -0.83 -0.07 1 38 SER -2.71 2.02 1 39 LEU -2.93 2.75 1 40 VAL -4.37 2.62 1 41 ALA -2.21 -0.07 1 42 ASN -1.52 -0.24 1 43 PHE 1.75 -1.69 1 44 LEU 3.66 -0.89 1 45 ASP -0.53 1.10 1 47 PHE -2.65 1.90 1 48 LEU -3.23 1.93 1 49 LYS -4.82 3.24 1 50 PHE -5.94 3.91 1 51 GLN -4.36 3.36 1 52 THR -0.36 0.35 1 56 SER -0.11 0.06 1 57 ALA -0.74 0.35 1 58 PHE -2.74 1.63 1 59 ASP -4.94 4.15 1 60 VAL -4.36 2.87 1 61 VAL -3.08 2.00 1 62 GLU 2.04 -0.21 1 63 VAL -1.80 0.60 1 64 GLU -1.32 1.23 1 65 GLU 1.11 0.58 1 67 ALA -1.83 1.72 1 70 ALA -4.97 4.04 1 71 VAL -3.11 2.25 1 72 LEU -6.95 4.76 1 73 THR -1.10 0.64 1 74 ILE -3.79 2.54 1 76 LEU -3.90 2.08 1 78 HIS 0.25 1.63 1 79 LYS 3.31 -2.65 1 81 ARG 1.60 -0.31 1 82 LEU -5.84 4.17 1 83 ALA -6.16 3.96 1 84 VAL -1.85 0.59 1 85 VAL -4.13 2.18 1 86 LEU -4.94 3.50 1 87 ASP -4.44 3.82 1 88 TYR -3.36 1.13 1 89 THR 1.84 -0.40 1 90 ARG -3.46 2.98 1 91 LEU 2.52 -0.31 1 92 ASN 1.87 -1.57 1 93 ALA 2.84 -1.42 1 94 ALA -2.13 1.18 1 95 LEU -2.48 1.79 1 97 SER -1.84 2.16 1 98 ALA -5.87 4.26 1 100 TYR -6.57 4.04 1 101 VAL -5.20 3.07 1 102 VAL -1.17 0.09 1 103 GLU 1.73 0.18 1 104 ASP -0.41 -0.58 1 105 SER 1.41 1.18 1 108 SER -0.84 0.60 1 109 SER 2.17 -0.33 1 110 SER -0.59 0.34 1 111 GLU -7.37 4.65 1 112 GLU -1.40 0.92 1 113 VAL -0.72 -0.36 1 114 SER -2.41 1.20 1 115 PHE -3.84 2.56 1 116 GLN -2.80 2.62 1 118 VAL 1.66 -1.56 1 120 SER -0.32 0.38 1 122 ALA -0.94 1.35 1 123 THR -4.53 2.73 1 124 LEU -5.62 4.32 1 125 VAL -4.60 3.07 1 126 VAL -1.84 0.91 1 127 THR -4.31 1.91 1 128 THR 2.33 -0.25 1 129 LEU 2.21 -0.89 1 131 GLU -0.96 0.18 1 132 SER 0.19 0.13 1 134 THR 0.77 -0.40 1 135 ALA 0.05 0.35 1 136 VAL 1.29 -0.36 1 137 SER 0.56 -0.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 1.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.42 _LACS_plot.Line_2_terminator_val_x_2 3.65 _LACS_plot.Line_2_terminator_val_y_2 -0.36 _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 23 THR 1.66 0.86 0 73 THR -1.10 1.43 0 10 THR 0.76 0.36 1 11 LYS -4.86 1.54 1 12 ALA -5.79 0.45 1 13 THR 1.73 0.36 1 14 LEU -5.24 0.27 1 15 GLU -5.06 0.75 1 16 GLU 0.43 -0.52 1 18 GLN -4.06 0.77 1 19 GLN -5.42 1.25 1 20 LEU -5.24 1.05 1 21 THR -0.60 0.89 1 22 LEU -4.86 1.11 1 24 PHE -3.70 0.66 1 25 ILE -1.25 -0.10 1 26 SER -2.81 0.24 1 27 THR 1.96 0.03 1 28 LYS 0.27 0.68 1 29 LEU -5.46 0.70 1 30 ASP -3.47 0.66 1 31 VAL -3.93 0.77 1 32 ALA -3.70 0.63 1 33 VAL 1.44 -0.02 1 35 SER -0.83 0.29 1 37 HIS -1.00 0.47 1 38 SER -2.71 0.69 1 39 LEU -2.93 1.13 1 40 VAL -4.37 0.92 1 41 ALA -2.21 0.47 1 42 ASN -1.52 0.09 1 43 PHE 1.75 -0.35 1 44 LEU 3.66 0.01 1 45 ASP -0.53 0.04 1 47 PHE -2.65 0.74 1 48 LEU -3.23 1.13 1 49 LYS -4.82 1.35 1 50 PHE -5.94 1.08 1 51 GLN -4.36 0.22 1 52 THR -0.36 0.53 1 56 SER -0.11 -0.15 1 57 ALA -0.74 -0.02 1 58 PHE -2.74 0.28 1 59 ASP -4.94 0.05 1 60 VAL -4.36 0.96 1 61 VAL -3.08 0.19 1 62 GLU 2.04 0.00 1 63 VAL -1.80 -0.13 1 64 GLU -1.32 -0.03 1 67 ALA -1.83 0.04 1 70 ALA -4.97 0.60 1 71 VAL -3.11 1.03 1 72 LEU -6.95 1.49 1 74 ILE -3.79 0.76 1 76 LEU -3.90 0.76 1 78 HIS 0.25 -0.30 1 79 LYS 3.31 -0.52 1 81 ARG 1.60 0.23 1 82 LEU -5.84 0.78 1 83 ALA -6.16 0.71 1 84 VAL -1.85 0.56 1 85 VAL -4.13 0.32 1 86 LEU -4.94 1.16 1 87 ASP -4.44 1.24 1 88 TYR -3.36 0.72 1 89 THR 1.84 0.03 1 90 ARG -3.46 0.80 1 91 LEU 2.52 -0.31 1 92 ASN 1.87 -0.21 1 93 ALA 2.84 -0.37 1 94 ALA -2.13 0.15 1 95 LEU -2.48 0.41 1 97 SER -1.84 1.14 1 98 ALA -5.87 0.86 1 99 ALA -9.38 1.09 1 100 TYR -6.57 0.74 1 101 VAL -5.20 0.56 1 102 VAL -1.17 0.08 1 103 GLU 1.73 -0.09 1 104 ASP -0.41 0.07 1 105 SER 1.41 -0.39 1 108 SER -0.84 0.11 1 109 SER 2.17 -0.20 1 110 SER -0.59 0.55 1 111 GLU -7.37 0.47 1 112 GLU -1.40 0.25 1 113 VAL -0.72 0.79 1 114 SER -2.41 0.62 1 115 PHE -3.84 0.49 1 116 GLN -2.80 0.53 1 118 VAL 1.66 -0.34 1 120 SER -0.32 0.20 1 122 ALA -0.94 0.50 1 123 THR -4.53 0.69 1 124 LEU -5.62 1.04 1 125 VAL -4.60 0.76 1 126 VAL -1.84 1.06 1 127 THR -4.31 0.46 1 128 THR 2.33 -0.13 1 129 LEU 2.21 -0.33 1 131 GLU -0.96 0.00 1 134 THR 0.77 -0.13 1 135 ALA 0.05 -0.05 1 136 VAL 1.29 -0.14 1 137 SER 0.56 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 -3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.48 _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 3.65 _LACS_plot.Line_2_terminator_val_y_2 -0.00 _LACS_plot.Y_axis_chem_shift_offset 0.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 GLU 0.43 -175.60 0 10 THR 0.76 -3.20 1 11 LYS -4.86 -1.54 1 12 ALA -5.79 -2.39 1 13 THR 1.73 -2.02 1 14 LEU -5.24 -4.45 1 15 GLU -5.06 -1.07 1 18 GLN -4.06 -2.89 1 19 GLN -5.42 -2.65 1 20 LEU -5.24 -1.42 1 21 THR -0.60 -1.16 1 22 LEU -4.86 -2.40 1 23 THR 1.66 -0.50 1 24 PHE -3.70 -3.57 1 25 ILE -1.25 -1.10 1 26 SER -2.81 -0.97 1 27 THR 1.96 0.41 1 28 LYS 0.27 -3.63 1 29 LEU -5.46 -3.80 1 30 ASP -3.47 -1.07 1 31 VAL -3.93 -2.24 1 32 ALA -3.70 -2.18 1 33 VAL 1.44 -2.86 1 35 SER -0.83 0.09 1 37 HIS -1.00 -0.96 1 38 SER -2.71 -3.98 1 39 LEU -2.93 -2.69 1 40 VAL -4.37 -1.98 1 41 ALA -2.21 -3.98 1 42 ASN -1.52 -0.08 1 43 PHE 1.75 0.25 1 44 LEU 3.66 0.40 1 45 ASP -0.53 0.54 1 47 PHE -2.65 -3.39 1 48 LEU -3.23 -2.55 1 49 LYS -4.82 -1.82 1 50 PHE -5.94 -1.98 1 51 GLN -4.36 -2.29 1 52 THR -0.36 0.09 1 56 SER -0.11 -0.70 1 57 ALA -0.74 -1.39 1 58 PHE -2.74 -0.66 1 59 ASP -4.94 -2.49 1 60 VAL -4.36 -1.36 1 61 VAL -3.08 -1.42 1 62 GLU 2.04 -1.16 1 63 VAL -1.80 -2.24 1 64 GLU -1.32 -2.27 1 65 GLU 1.11 -2.61 1 67 ALA -1.83 -1.18 1 70 ALA -4.97 -3.80 1 71 VAL -3.11 -0.62 1 72 LEU -6.95 -2.37 1 73 THR -1.10 -1.41 1 74 ILE -3.79 -1.92 1 76 LEU -3.90 -2.85 1 78 HIS 0.25 2.07 1 79 LYS 3.31 0.21 1 81 ARG 1.60 -2.74 1 82 LEU -5.84 -4.09 1 83 ALA -6.16 -2.80 1 84 VAL -1.85 -2.45 1 85 VAL -4.13 -2.18 1 86 LEU -4.94 -3.89 1 87 ASP -4.44 -0.76 1 88 TYR -3.36 -3.04 1 89 THR 1.84 -0.08 1 90 ARG -3.46 2.12 1 91 LEU 2.52 -0.40 1 92 ASN 1.87 0.00 1 93 ALA 2.84 -1.84 1 94 ALA -2.13 -2.41 1 95 LEU -2.48 -0.27 1 97 SER -1.84 -1.28 1 98 ALA -5.87 -3.63 1 99 ALA -9.38 -3.05 1 100 TYR -6.57 -4.33 1 101 VAL -5.20 -0.07 1 102 VAL -1.17 -0.97 1 103 GLU 1.73 -0.33 1 104 ASP -0.41 -0.12 1 105 SER 1.41 0.39 1 108 SER -0.84 -2.24 1 109 SER 2.17 -0.16 1 110 SER -0.59 -1.04 1 111 GLU -7.37 -1.00 1 112 GLU -1.40 -0.88 1 113 VAL -0.72 -1.56 1 114 SER -2.41 -1.48 1 115 PHE -3.84 -0.62 1 116 GLN -2.80 -1.74 1 118 VAL 1.66 -1.18 1 120 SER -0.32 1.70 1 122 ALA -0.94 -0.01 1 123 THR -4.53 -2.28 1 124 LEU -5.62 -2.57 1 125 VAL -4.60 -1.98 1 126 VAL -1.84 -0.39 1 127 THR -4.31 -1.35 1 128 THR 2.33 -1.20 1 129 LEU 2.21 -0.52 1 131 GLU -0.96 -0.88 1 134 THR 0.77 -0.14 1 135 ALA 0.05 0.28 1 136 VAL 1.29 0.17 1 stop_ save_