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 bmr19711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.65 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 5.30 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 HIS 1.56 4.68 0 130 TYR -5.51 1.06 0 10 THR -6.01 -2.54 1 11 VAL 3.15 3.51 1 12 GLU 5.67 3.79 1 13 TYR -3.36 -1.84 1 15 LEU 0.47 0.51 1 16 LEU -7.11 -1.59 1 18 ILE 5.19 3.81 1 20 LYS 2.19 2.22 1 21 ILE 5.01 4.58 1 22 VAL 6.52 5.38 1 23 GLU 3.67 3.54 1 24 LYS -0.01 -1.59 1 25 ARG 3.04 -0.26 1 26 ILE 2.16 2.21 1 27 GLU 0.66 -0.53 1 29 THR 2.50 0.98 1 30 VAL -3.58 -3.22 1 31 TYR -2.21 -0.46 1 32 SER -4.20 -1.32 1 33 VAL -4.81 -2.65 1 34 ASP -2.72 -2.00 1 35 ASN 3.05 2.07 1 36 ASN -1.55 -0.33 1 38 ASN -0.28 0.07 1 39 ILE -1.68 -1.73 1 40 TYR -3.39 -2.13 1 41 THR -4.54 -3.68 1 42 GLN -1.44 -0.17 1 44 VAL 4.53 3.44 1 45 ALA -4.02 -0.78 1 46 GLN -5.11 -0.95 1 47 TRP -1.80 1.20 1 48 HIS -3.53 -0.18 1 49 ASP -0.04 -0.52 1 50 ARG -1.07 -1.26 1 52 GLU -1.21 -0.47 1 53 GLN -6.03 -1.48 1 54 GLU 0.71 1.29 1 55 VAL -1.44 0.02 1 56 PHE -4.72 -1.39 1 57 GLU -5.45 -1.89 1 58 TYR -0.10 -0.70 1 60 LEU 1.04 1.16 1 61 GLU 1.70 2.86 1 62 ASP -0.34 -0.83 1 64 SER 2.29 1.98 1 65 LEU -4.66 -1.07 1 66 ILE -3.27 0.18 1 67 ARG 0.18 -0.79 1 68 ALA -7.49 -1.95 1 69 THR 0.21 0.33 1 70 LYS 2.75 2.92 1 71 ASP -1.43 -1.40 1 73 LYS 0.20 0.70 1 74 PHE -7.65 -1.69 1 75 MET -2.98 0.11 1 76 THR -1.82 -0.33 1 77 VAL 3.99 3.12 1 78 ASP 0.10 -0.83 1 80 GLN -1.79 -0.43 1 81 MET -1.70 -2.34 1 82 LEU -5.46 -1.64 1 84 ILE 4.20 2.90 1 85 ASP 2.99 4.31 1 86 GLU 2.74 2.34 1 87 ILE 5.99 5.23 1 88 PHE 3.04 2.19 1 89 GLU 3.36 3.21 1 90 ARG 0.77 0.36 1 91 GLU 3.02 -0.21 1 92 LEU -1.78 -1.46 1 93 ASP -2.30 -0.52 1 94 LEU -0.06 0.77 1 95 MET 0.46 0.34 1 96 ARG -2.83 -1.21 1 97 VAL 1.10 0.16 1 98 ASP -1.16 0.09 1 99 ASN 1.47 0.04 1 100 LEU 1.28 0.06 1 102 ASN -0.45 1.48 1 116 ILE -1.83 -0.58 1 117 LYS -4.01 -1.71 1 118 ILE 2.18 1.98 1 119 ALA -0.13 1.77 1 120 THR -5.55 -1.69 1 121 ARG -4.49 -1.69 1 122 LYS -4.95 -1.58 1 123 TYR 0.38 -0.13 1 124 LEU -0.94 -0.64 1 126 LYS -0.16 -0.37 1 127 GLN -5.51 -2.01 1 128 ASN 1.56 2.08 1 129 VAL -6.08 -2.49 1 131 ASP -5.63 0.44 1 132 ILE -4.67 -1.42 1 139 ASN -2.94 -0.38 1 140 PHE -1.68 -1.52 1 141 ALA -2.22 -0.94 1 142 LEU -5.25 -2.15 1 143 LYS 2.07 2.65 1 144 ASN 3.48 2.24 1 146 PHE -0.04 0.13 1 147 ILE -1.21 -2.86 1 148 ALA -6.17 -2.99 1 149 SER -3.46 -1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.65 _LACS_plot.Line_1_terminator_val_y_1 5.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.21 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 HIS 1.56 3.12 0 130 TYR -5.51 6.57 0 10 THR -6.01 3.47 1 11 VAL 3.15 0.36 1 12 GLU 5.67 -1.88 1 13 TYR -3.36 1.52 1 15 LEU 0.47 0.04 1 16 LEU -7.11 5.52 1 18 ILE 5.19 -1.38 1 20 LYS 2.19 0.03 1 21 ILE 5.01 -0.43 1 22 VAL 6.52 -1.14 1 23 GLU 3.67 -0.13 1 24 LYS -0.01 -1.58 1 25 ARG 3.04 -3.30 1 26 ILE 2.16 0.05 1 27 GLU 0.66 -1.19 1 29 THR 2.50 -1.52 1 30 VAL -3.58 0.36 1 31 TYR -2.21 1.75 1 32 SER -4.20 2.88 1 33 VAL -4.81 2.16 1 34 ASP -2.72 0.72 1 35 ASN 3.05 -0.98 1 36 ASN -1.55 1.22 1 38 ASN -0.28 0.35 1 39 ILE -1.68 -0.05 1 40 TYR -3.39 1.26 1 41 THR -4.54 0.86 1 42 GLN -1.44 1.27 1 44 VAL 4.53 -1.09 1 45 ALA -4.02 3.24 1 46 GLN -5.11 4.16 1 47 TRP -1.80 3.00 1 48 HIS -3.53 3.35 1 49 ASP -0.04 -0.48 1 50 ARG -1.07 -0.19 1 52 GLU -1.21 0.74 1 53 GLN -6.03 4.55 1 54 GLU 0.71 0.58 1 55 VAL -1.44 1.46 1 56 PHE -4.72 3.33 1 57 GLU -5.45 3.56 1 58 TYR -0.10 -0.60 1 60 LEU 1.04 0.12 1 61 GLU 1.70 1.16 1 62 ASP -0.34 -0.49 1 64 SER 2.29 -0.31 1 65 LEU -4.66 3.59 1 66 ILE -3.27 3.45 1 67 ARG 0.18 -0.97 1 68 ALA -7.49 5.54 1 69 THR 0.21 0.12 1 70 LYS 2.75 0.17 1 71 ASP -1.43 0.03 1 73 LYS 0.20 0.50 1 74 PHE -7.65 5.96 1 75 MET -2.98 3.09 1 76 THR -1.82 1.49 1 77 VAL 3.99 -0.87 1 78 ASP 0.10 -0.93 1 80 GLN -1.79 1.36 1 81 MET -1.70 -0.64 1 82 LEU -5.46 3.82 1 84 ILE 4.20 -1.30 1 85 ASP 2.99 1.32 1 86 GLU 2.74 -0.40 1 87 ILE 5.99 -0.76 1 88 PHE 3.04 -0.85 1 89 GLU 3.36 -0.15 1 90 ARG 0.77 -0.41 1 91 GLU 3.02 -3.23 1 92 LEU -1.78 0.32 1 93 ASP -2.30 1.78 1 94 LEU -0.06 0.83 1 95 MET 0.46 -0.12 1 96 ARG -2.83 1.62 1 97 VAL 1.10 -0.94 1 98 ASP -1.16 1.25 1 99 ASN 1.47 -1.43 1 100 LEU 1.28 -1.22 1 102 ASN -0.45 1.93 1 116 ILE -1.83 1.25 1 117 LYS -4.01 2.30 1 118 ILE 2.18 -0.20 1 119 ALA -0.13 1.90 1 120 THR -5.55 3.86 1 121 ARG -4.49 2.80 1 122 LYS -4.95 3.37 1 123 TYR 0.38 -0.51 1 124 LEU -0.94 0.30 1 126 LYS -0.16 -0.21 1 127 GLN -5.51 3.50 1 128 ASN 1.56 0.52 1 129 VAL -6.08 3.59 1 131 ASP -5.63 6.07 1 132 ILE -4.67 3.25 1 139 ASN -2.94 2.56 1 140 PHE -1.68 0.16 1 141 ALA -2.22 1.28 1 142 LEU -5.25 3.10 1 143 LYS 2.07 0.58 1 144 ASN 3.48 -1.24 1 146 PHE -0.04 0.17 1 147 ILE -1.21 -1.65 1 148 ALA -6.17 3.18 1 149 SER -3.46 1.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.65 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 25 ARG 3.04 -1.72 0 10 THR -6.01 1.52 1 11 VAL 3.15 -0.42 1 12 GLU 5.67 -0.63 1 13 TYR -3.36 0.38 1 15 LEU 0.47 0.47 1 16 LEU -7.11 0.42 1 18 ILE 5.19 -0.47 1 20 LYS 2.19 -0.27 1 21 ILE 5.01 -0.81 1 22 VAL 6.52 -0.16 1 23 GLU 3.67 -0.30 1 24 LYS -0.01 -0.02 1 26 ILE 2.16 -0.62 1 27 GLU 0.66 0.64 1 29 THR 2.50 0.35 1 30 VAL -3.58 0.90 1 31 TYR -2.21 0.38 1 33 VAL -4.81 0.96 1 34 ASP -2.72 0.27 1 35 ASN 3.05 -0.29 1 36 ASN -1.55 0.21 1 38 ASN -0.28 0.05 1 39 ILE -1.68 1.06 1 40 TYR -3.39 0.53 1 41 THR -4.54 1.19 1 42 GLN -1.44 0.51 1 44 VAL 4.53 -0.65 1 45 ALA -4.02 0.01 1 46 GLN -5.11 -0.02 1 47 TRP -1.80 0.04 1 48 HIS -3.53 0.48 1 49 ASP -0.04 0.11 1 50 ARG -1.07 -0.03 1 52 GLU -1.21 0.11 1 53 GLN -6.03 0.37 1 54 GLU 0.71 -0.23 1 55 VAL -1.44 0.04 1 56 PHE -4.72 0.12 1 57 GLU -5.45 0.53 1 58 TYR -0.10 0.32 1 60 LEU 1.04 0.59 1 61 GLU 1.70 -0.25 1 62 ASP -0.34 0.07 1 64 SER 2.29 -0.10 1 65 LEU -4.66 1.08 1 66 ILE -3.27 -0.01 1 67 ARG 0.18 1.39 1 68 ALA -7.49 0.95 1 69 THR 0.21 0.83 1 70 LYS 2.75 0.06 1 71 ASP -1.43 -0.07 1 72 HIS 1.56 -0.90 1 73 LYS 0.20 0.53 1 74 PHE -7.65 0.60 1 75 MET -2.98 0.85 1 76 THR -1.82 0.75 1 77 VAL 3.99 -0.30 1 78 ASP 0.10 0.04 1 80 GLN -1.79 0.04 1 81 MET -1.70 0.68 1 82 LEU -5.46 0.47 1 84 ILE 4.20 -0.29 1 85 ASP 2.99 0.07 1 86 GLU 2.74 0.20 1 87 ILE 5.99 -0.80 1 88 PHE 3.04 -0.09 1 89 GLU 3.36 -0.84 1 90 ARG 0.77 -0.10 1 91 GLU 3.02 -0.12 1 92 LEU -1.78 0.17 1 93 ASP -2.30 0.22 1 94 LEU -0.06 -0.06 1 95 MET 0.46 -0.31 1 96 ARG -2.83 0.18 1 97 VAL 1.10 -0.05 1 98 ASP -1.16 -0.16 1 99 ASN 1.47 -0.60 1 100 LEU 1.28 -0.43 1 116 ILE -1.83 0.35 1 117 LYS -4.01 0.47 1 118 ILE 2.18 -0.16 1 119 ALA -0.13 0.33 1 120 THR -5.55 0.50 1 121 ARG -4.49 0.33 1 122 LYS -4.95 0.46 1 123 TYR 0.38 -0.54 1 124 LEU -0.94 -0.09 1 126 LYS -0.16 0.39 1 127 GLN -5.51 0.39 1 128 ASN 1.56 -0.29 1 129 VAL -6.08 1.00 1 130 TYR -5.51 0.66 1 131 ASP -5.63 0.78 1 132 ILE -4.67 0.47 1 140 PHE -1.68 1.23 1 141 ALA -2.22 0.98 1 142 LEU -5.25 0.79 1 144 ASN 3.48 -0.48 1 146 PHE -0.04 0.41 1 147 ILE -1.21 0.49 1 148 ALA -6.17 -0.28 1 149 SER -3.46 0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.65 _LACS_plot.Line_1_terminator_val_y_1 -1.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.00 _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 6.51 _LACS_plot.Line_2_terminator_val_y_2 1.16 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 THR -6.01 1.58 0 76 THR -1.82 3.50 0 11 VAL 3.15 2.74 1 12 GLU 5.67 1.91 1 13 TYR -3.36 0.08 1 15 LEU 0.47 -0.16 1 18 ILE 5.19 -0.93 1 20 LYS 2.19 1.44 1 21 ILE 5.01 1.76 1 22 VAL 6.52 2.51 1 23 GLU 3.67 2.30 1 24 LYS -0.01 -2.02 1 25 ARG 3.04 -1.74 1 26 ILE 2.16 0.54 1 27 GLU 0.66 -1.06 1 29 THR 2.50 -0.81 1 30 VAL -3.58 -2.65 1 31 TYR -2.21 -0.90 1 33 VAL -4.81 0.36 1 34 ASP -2.72 1.94 1 35 ASN 3.05 0.63 1 36 ASN -1.55 0.10 1 38 ASN -0.28 -0.97 1 39 ILE -1.68 0.03 1 40 TYR -3.39 -3.76 1 41 THR -4.54 0.30 1 44 VAL 4.53 -0.94 1 45 ALA -4.02 -1.66 1 46 GLN -5.11 -2.98 1 47 TRP -1.80 -2.12 1 48 HIS -3.53 -0.57 1 49 ASP -0.04 0.95 1 50 ARG -1.07 0.30 1 52 GLU -1.21 0.64 1 53 GLN -6.03 -1.79 1 54 GLU 0.71 -1.04 1 55 VAL -1.44 -3.12 1 56 PHE -4.72 -3.45 1 57 GLU -5.45 -2.09 1 58 TYR -0.10 -1.98 1 60 LEU 1.04 2.27 1 61 GLU 1.70 -0.78 1 62 ASP -0.34 0.87 1 64 SER 2.29 -2.50 1 65 LEU -4.66 -0.31 1 66 ILE -3.27 -1.89 1 67 ARG 0.18 -2.35 1 68 ALA -7.49 -0.71 1 69 THR 0.21 1.45 1 70 LYS 2.75 -0.30 1 71 ASP -1.43 -0.01 1 72 HIS 1.56 2.17 1 73 LYS 0.20 -1.53 1 74 PHE -7.65 -1.16 1 75 MET -2.98 2.23 1 77 VAL 3.99 -1.16 1 78 ASP 0.10 0.32 1 80 GLN -1.79 -1.71 1 81 MET -1.70 -0.98 1 84 ILE 4.20 -0.59 1 85 ASP 2.99 2.11 1 86 GLU 2.74 1.64 1 87 ILE 5.99 1.96 1 88 PHE 3.04 2.92 1 89 GLU 3.36 2.01 1 90 ARG 0.77 -1.76 1 91 GLU 3.02 -0.92 1 92 LEU -1.78 -2.09 1 93 ASP -2.30 0.62 1 94 LEU -0.06 -0.51 1 95 MET 0.46 -1.53 1 96 ARG -2.83 -0.61 1 97 VAL 1.10 -0.96 1 98 ASP -1.16 -0.27 1 99 ASN 1.47 -0.34 1 116 ILE -1.83 -3.46 1 117 LYS -4.01 -0.35 1 118 ILE 2.18 -1.19 1 119 ALA -0.13 0.62 1 120 THR -5.55 -3.54 1 121 ARG -4.49 -1.61 1 122 LYS -4.95 -1.92 1 123 TYR 0.38 -0.85 1 124 LEU -0.94 -0.83 1 126 LYS -0.16 0.43 1 127 GLN -5.51 -1.69 1 128 ASN 1.56 0.01 1 129 VAL -6.08 -0.64 1 130 TYR -5.51 -1.69 1 131 ASP -5.63 -1.09 1 132 ILE -4.67 -1.72 1 139 ASN -2.94 -3.48 1 140 PHE -1.68 -1.78 1 141 ALA -2.22 0.81 1 142 LEU -5.25 -0.42 1 144 ASN 3.48 -0.67 1 146 PHE -0.04 -1.86 1 147 ILE -1.21 -2.60 1 148 ALA -6.17 -1.79 1 149 SER -3.46 0.17 1 stop_ save_