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 bmr19079_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -3.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 6.04 _LACS_plot.Line_2_terminator_val_y_2 4.17 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 TYR -9.67 -3.72 0 77 TYR 6.05 1.45 0 10 GLU 3.22 3.30 1 11 GLN -2.19 0.37 1 12 ALA -4.64 -0.56 1 13 ILE -3.28 -1.00 1 14 TYR -2.12 -1.12 1 15 LYS -0.74 -0.28 1 16 ASN 1.25 0.97 1 17 ALA 3.23 1.78 1 18 HIS 4.98 2.78 1 19 LEU -1.76 -1.79 1 20 THR -3.15 -3.23 1 21 THR -2.57 -0.81 1 23 ASN -3.17 -0.65 1 24 ASP 3.57 2.74 1 25 GLN 0.19 -0.28 1 26 THR 4.26 3.42 1 27 ILE -0.10 1.46 1 28 LEU -3.30 0.24 1 29 LEU -2.48 -0.97 1 30 ALA -1.80 -2.88 1 31 LEU 4.97 3.93 1 32 THR 2.80 1.64 1 33 ALA -2.88 -1.72 1 34 ASP 1.65 1.07 1 35 LEU -5.76 -0.83 1 36 GLN -3.60 -0.41 1 37 ILE -2.18 -1.23 1 38 ASP -4.03 -1.88 1 41 ASP 0.41 0.61 1 42 GLN -2.95 -1.17 1 46 ASP -1.19 1.07 1 47 ASN -3.51 -0.22 1 48 ILE -1.95 -1.24 1 50 ASP -1.12 -2.01 1 52 ASP -1.94 -1.93 1 54 THR -0.77 -1.15 1 55 SER -4.38 -2.02 1 59 TYR -0.94 -1.46 1 60 SER -3.73 -4.10 1 61 ARG 4.41 2.73 1 62 SER 5.30 2.49 1 63 LEU 0.31 -0.51 1 64 ASP 1.28 0.07 1 65 ARG -3.78 -1.67 1 66 TYR -4.23 -1.15 1 67 ILE -3.35 -0.86 1 69 VAL -4.70 -1.44 1 70 GLU -3.20 -1.16 1 72 GLU -5.00 -2.18 1 73 ALA -1.21 -0.57 1 74 HIS -3.70 -0.06 1 75 ASP 2.26 3.38 1 76 TRP -4.77 -2.67 1 79 VAL -0.84 -0.65 1 80 GLU -0.68 -0.31 1 81 GLU -0.02 0.79 1 82 THR -5.83 -1.76 1 83 GLN 2.20 3.94 1 87 LYS 2.38 1.60 1 88 HIS -0.53 0.17 1 89 ILE -1.08 -1.03 1 90 GLN -4.89 -1.51 1 91 TYR -4.13 -1.23 1 92 ASN 3.59 2.42 1 93 LEU -5.37 -0.76 1 94 LEU -3.59 -1.21 1 95 ILE -2.32 -1.30 1 97 GLU -1.97 -0.86 1 101 VAL -2.67 -3.25 1 104 ASP 0.28 0.50 1 105 ALA 2.58 1.50 1 108 LYS -0.65 2.30 1 109 LEU -2.60 -1.73 1 110 LEU -2.18 0.22 1 112 ARG 4.74 3.71 1 113 HIS 1.69 3.74 1 115 VAL 1.10 0.31 1 116 ILE -1.61 0.37 1 118 ILE -6.86 -2.31 1 119 ILE 2.71 3.30 1 120 THR -1.01 -0.36 1 121 ALA -4.09 -0.67 1 124 ASP 2.26 1.27 1 126 HIS -3.06 -0.35 1 127 VAL -3.86 -2.08 1 128 ALA -5.93 -3.30 1 129 PHE -4.71 -2.94 1 130 THR 0.64 1.69 1 131 ASP -1.69 -1.28 1 132 LEU -0.05 0.19 1 133 ARG -1.33 -0.58 1 135 TYR 0.66 0.50 1 136 ASN 0.54 0.12 1 137 ILE -0.75 -0.29 1 138 LYS -0.41 0.02 1 139 ALA -0.27 -0.11 1 140 THR -0.23 0.01 1 141 SER 0.70 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19079_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 6.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 6.04 _LACS_plot.Line_2_terminator_val_y_2 -1.87 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 TYR -9.67 5.95 0 77 TYR 6.05 -4.60 0 10 GLU 3.22 0.08 1 11 GLN -2.19 2.56 1 12 ALA -4.64 4.08 1 13 ILE -3.28 2.28 1 14 TYR -2.12 1.00 1 15 LYS -0.74 0.46 1 16 ASN 1.25 -0.28 1 17 ALA 3.23 -1.45 1 18 HIS 4.98 -2.20 1 19 LEU -1.76 -0.03 1 20 THR -3.15 -0.08 1 21 THR -2.57 1.76 1 23 ASN -3.17 2.52 1 24 ASP 3.57 -0.83 1 25 GLN 0.19 -0.47 1 26 THR 4.26 -0.84 1 27 ILE -0.10 1.56 1 28 LEU -3.30 3.54 1 29 LEU -2.48 1.51 1 30 ALA -1.80 -1.08 1 31 LEU 4.97 -1.04 1 32 THR 2.80 -1.16 1 33 ALA -2.88 1.16 1 34 ASP 1.65 -0.58 1 35 LEU -5.76 4.93 1 36 GLN -3.60 3.19 1 37 ILE -2.18 0.95 1 38 ASP -4.03 2.15 1 41 ASP 0.41 0.20 1 42 GLN -2.95 1.78 1 46 ASP -1.19 2.26 1 47 ASN -3.51 3.29 1 48 ILE -1.95 0.71 1 50 ASP -1.12 -0.89 1 52 ASP -1.94 0.01 1 54 THR -0.77 -0.38 1 55 SER -4.38 2.36 1 59 TYR -0.94 -0.52 1 60 SER -3.73 -0.37 1 61 ARG 4.41 -1.68 1 62 SER 5.30 -2.81 1 63 LEU 0.31 -0.82 1 64 ASP 1.28 -1.21 1 65 ARG -3.78 2.11 1 66 TYR -4.23 3.08 1 67 ILE -3.35 2.49 1 69 VAL -4.70 3.26 1 70 GLU -3.20 2.04 1 72 GLU -5.00 2.82 1 73 ALA -1.21 0.64 1 74 HIS -3.70 3.64 1 75 ASP 2.26 1.12 1 76 TRP -4.77 2.10 1 79 VAL -0.84 0.19 1 80 GLU -0.68 0.37 1 81 GLU -0.02 0.81 1 82 THR -5.83 4.07 1 83 GLN 2.20 1.74 1 87 LYS 2.38 -0.78 1 88 HIS -0.53 0.70 1 89 ILE -1.08 0.05 1 90 GLN -4.89 3.38 1 91 TYR -4.13 2.90 1 92 ASN 3.59 -1.17 1 93 LEU -5.37 4.61 1 94 LEU -3.59 2.38 1 95 ILE -2.32 1.02 1 97 GLU -1.97 1.11 1 101 VAL -2.67 -0.58 1 104 ASP 0.28 0.22 1 105 ALA 2.58 -1.08 1 108 LYS -0.65 2.95 1 109 LEU -2.60 0.87 1 110 LEU -2.18 2.40 1 112 ARG 4.74 -1.03 1 113 HIS 1.69 2.05 1 115 VAL 1.10 -0.79 1 116 ILE -1.61 1.98 1 118 ILE -6.86 4.55 1 119 ILE 2.71 0.59 1 120 THR -1.01 0.65 1 121 ALA -4.09 3.42 1 124 ASP 2.26 -0.99 1 126 HIS -3.06 2.71 1 127 VAL -3.86 1.78 1 128 ALA -5.93 2.63 1 129 PHE -4.71 1.77 1 130 THR 0.64 1.05 1 131 ASP -1.69 0.41 1 132 LEU -0.05 0.24 1 133 ARG -1.33 0.75 1 135 TYR 0.66 -0.16 1 136 ASN 0.54 -0.42 1 137 ILE -0.75 0.46 1 138 LYS -0.41 0.43 1 139 ALA -0.27 0.16 1 140 THR -0.23 0.24 1 141 SER 0.70 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19079_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 1.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 TYR -0.94 -1.40 0 10 GLU 3.22 -0.25 1 11 GLN -2.19 0.28 1 12 ALA -4.64 0.73 1 13 ILE -3.28 1.23 1 14 TYR -2.12 0.30 1 15 LYS -0.74 0.05 1 16 ASN 1.25 0.36 1 17 ALA 3.23 -0.71 1 18 HIS 4.98 -0.23 1 19 LEU -1.76 0.10 1 20 THR -3.15 0.35 1 21 THR -2.57 0.51 1 23 ASN -3.17 0.29 1 24 ASP 3.57 -0.22 1 25 GLN 0.19 0.08 1 26 THR 4.26 0.43 1 27 ILE -0.10 -0.06 1 28 LEU -3.30 0.17 1 29 LEU -2.48 0.46 1 30 ALA -1.80 0.68 1 31 LEU 4.97 0.28 1 32 THR 2.80 -0.07 1 33 ALA -2.88 0.98 1 34 ASP 1.65 -0.45 1 35 LEU -5.76 0.76 1 36 GLN -3.60 0.45 1 37 ILE -2.18 0.64 1 38 ASP -4.03 0.62 1 41 ASP 0.41 -0.02 1 42 GLN -2.95 0.25 1 46 ASP -1.19 0.14 1 47 ASN -3.51 0.17 1 48 ILE -1.95 0.82 1 50 ASP -1.12 0.21 1 52 ASP -1.94 0.15 1 54 THR -0.77 -0.18 1 55 SER -4.38 0.44 1 58 TYR -9.67 1.86 1 60 SER -3.73 -0.18 1 61 ARG 4.41 -0.59 1 62 SER 5.30 -0.45 1 63 LEU 0.31 -0.02 1 64 ASP 1.28 -0.33 1 65 ARG -3.78 0.31 1 66 TYR -4.23 0.27 1 67 ILE -3.35 0.17 1 69 VAL -4.70 0.64 1 70 GLU -3.20 0.34 1 72 GLU -5.00 0.20 1 73 ALA -1.21 0.57 1 74 HIS -3.70 0.00 1 75 ASP 2.26 -0.02 1 76 TRP -4.77 0.80 1 79 VAL -0.84 -0.17 1 80 GLU -0.68 -0.28 1 81 GLU -0.02 -0.16 1 82 THR -5.83 0.34 1 83 GLN 2.20 -0.02 1 87 LYS 2.38 0.22 1 88 HIS -0.53 0.24 1 89 ILE -1.08 0.28 1 90 GLN -4.89 0.97 1 91 TYR -4.13 0.84 1 92 ASN 3.59 -0.18 1 93 LEU -5.37 1.12 1 94 LEU -3.59 0.67 1 95 ILE -2.32 1.00 1 97 GLU -1.97 0.48 1 101 VAL -2.67 0.77 1 104 ASP 0.28 0.20 1 105 ALA 2.58 -0.61 1 108 LYS -0.65 0.12 1 109 LEU -2.60 0.54 1 110 LEU -2.18 1.16 1 112 ARG 4.74 -0.42 1 113 HIS 1.69 -0.25 1 115 VAL 1.10 0.36 1 116 ILE -1.61 0.43 1 118 ILE -6.86 1.44 1 119 ILE 2.71 -0.40 1 120 THR -1.01 0.32 1 121 ALA -4.09 0.26 1 124 ASP 2.26 -0.02 1 126 HIS -3.06 0.72 1 127 VAL -3.86 0.11 1 128 ALA -5.93 0.90 1 129 PHE -4.71 0.68 1 130 THR 0.64 0.22 1 131 ASP -1.69 0.28 1 132 LEU -0.05 -0.01 1 133 ARG -1.33 -0.13 1 135 TYR 0.66 -0.12 1 136 ASN 0.54 -0.04 1 137 ILE -0.75 0.05 1 138 LYS -0.41 0.06 1 139 ALA -0.27 0.04 1 140 THR -0.23 0.03 1 141 SER 0.70 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19079_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 5.29 _LACS_plot.Line_2_terminator_val_y_2 0.89 _LACS_plot.Y_axis_chem_shift_offset 0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 TYR -9.67 -3.72 0 141 SER 0.70 4.41 0 10 GLU 3.22 -0.28 1 11 GLN -2.19 -0.61 1 12 ALA -4.64 -3.51 1 13 ILE -3.28 -2.11 1 14 TYR -2.12 -3.11 1 16 ASN 1.25 1.27 1 17 ALA 3.23 2.28 1 18 HIS 4.98 0.08 1 19 LEU -1.76 -1.81 1 20 THR -3.15 -3.60 1 23 ASN -3.17 0.76 1 24 ASP 3.57 0.68 1 25 GLN 0.19 1.37 1 26 THR 4.26 -0.12 1 27 ILE -0.10 -0.67 1 28 LEU -3.30 -4.52 1 29 LEU -2.48 -3.01 1 30 ALA -1.80 0.19 1 32 THR 2.80 -1.36 1 33 ALA -2.88 -2.33 1 34 ASP 1.65 -0.55 1 35 LEU -5.76 -4.54 1 36 GLN -3.60 -2.84 1 37 ILE -2.18 -1.48 1 38 ASP -4.03 -0.18 1 46 ASP -1.19 -1.74 1 47 ASN -3.51 -2.81 1 50 ASP -1.12 -1.20 1 52 ASP -1.94 1.22 1 54 THR -0.77 -2.66 1 55 SER -4.38 -1.70 1 59 TYR -0.94 -2.41 1 60 SER -3.73 -0.32 1 61 ARG 4.41 3.15 1 62 SER 5.30 2.81 1 63 LEU 0.31 -2.14 1 64 ASP 1.28 -1.89 1 65 ARG -3.78 -3.46 1 66 TYR -4.23 0.22 1 69 VAL -4.70 -5.00 1 70 GLU -3.20 -0.52 1 72 GLU -5.00 -1.06 1 73 ALA -1.21 -0.74 1 74 HIS -3.70 -0.13 1 79 VAL -0.84 -1.31 1 80 GLU -0.68 -0.99 1 81 GLU -0.02 -0.78 1 87 LYS 2.38 -0.19 1 88 HIS -0.53 -2.67 1 89 ILE -1.08 -0.23 1 91 TYR -4.13 -0.14 1 92 ASN 3.59 -2.83 1 93 LEU -5.37 0.11 1 94 LEU -3.59 -1.83 1 95 ILE -2.32 -0.52 1 97 GLU -1.97 -1.03 1 104 ASP 0.28 0.30 1 105 ALA 2.58 -2.58 1 108 LYS -0.65 -1.54 1 109 LEU -2.60 -2.58 1 110 LEU -2.18 -1.48 1 112 ARG 4.74 0.59 1 113 HIS 1.69 1.34 1 115 VAL 1.10 -2.42 1 116 ILE -1.61 -0.96 1 118 ILE -6.86 0.24 1 119 ILE 2.71 1.05 1 120 THR -1.01 -3.28 1 121 ALA -4.09 -4.11 1 124 ASP 2.26 -0.24 1 126 HIS -3.06 -2.04 1 127 VAL -3.86 -5.98 1 128 ALA -5.93 -2.29 1 129 PHE -4.71 0.28 1 130 THR 0.64 -1.65 1 131 ASP -1.69 -0.68 1 132 LEU -0.05 2.10 1 133 ARG -1.33 -0.75 1 135 TYR 0.66 0.45 1 136 ASN 0.54 -0.76 1 137 ILE -0.75 -0.49 1 138 LYS -0.41 -0.01 1 139 ALA -0.27 -0.18 1 140 THR -0.23 -1.10 1 stop_ save_