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 bmr6716_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.17 _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 1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 5.21 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 VAL -3.10 3.11 0 10 GLN 5.19 3.18 1 11 ASN 3.71 3.63 1 12 ALA 3.30 3.06 1 13 GLU 3.70 5.10 1 15 LEU 3.81 2.61 1 16 LEU 3.30 3.40 1 17 LEU 2.95 3.37 1 18 ALA 3.61 3.34 1 19 HIS 4.09 6.20 1 21 MET 3.15 3.67 1 22 ARG -0.95 0.38 1 23 SER -1.72 -1.80 1 24 ARG 3.15 3.02 1 25 ASP 4.32 3.71 1 26 VAL 5.00 4.07 1 27 ALA 3.49 4.45 1 28 LEU 4.59 3.12 1 29 VAL 5.37 4.31 1 30 VAL 6.61 5.90 1 31 GLN 4.62 4.46 1 32 GLU 1.69 2.09 1 33 ARG 1.30 1.01 1 34 ILE 0.14 1.33 1 41 GLU 5.17 4.67 1 42 GLU 5.16 3.73 1 43 HIS 1.21 1.35 1 44 ARG 4.33 4.22 1 45 ALA 2.94 2.45 1 46 LEU 3.93 3.16 1 47 ALA 4.51 3.17 1 48 ALA 4.47 3.17 1 49 TYR 3.29 3.13 1 50 ILE 0.19 -0.33 1 51 TYR -2.16 0.44 1 52 ALA 3.44 2.75 1 53 PHE 3.79 3.90 1 54 TYR 4.69 3.18 1 55 GLU 3.58 2.92 1 56 GLU 0.06 0.60 1 58 HIS 0.01 1.43 1 59 GLU -1.69 -0.96 1 60 ALA 1.93 2.21 1 61 ASP 1.07 0.54 1 64 ALA 2.20 1.69 1 65 LEU 4.82 3.17 1 66 ILE 5.48 4.42 1 67 SER 3.07 2.62 1 68 ARG -0.67 0.00 1 69 ILE 1.29 0.13 1 72 GLU 3.90 2.66 1 73 LEU -3.17 -0.85 1 74 GLN 3.90 2.68 1 76 LEU 2.95 3.15 1 77 ALA 4.85 3.64 1 78 SER 3.59 3.23 1 79 GLU 3.64 2.31 1 80 LEU 3.88 2.89 1 81 SER -0.73 -0.34 1 82 LEU 0.85 1.04 1 83 LEU 1.72 -0.09 1 84 LEU -2.82 -1.17 1 85 ILE -1.43 -0.36 1 86 ALA 0.89 1.37 1 87 ASP -1.52 -0.82 1 88 ASP -1.84 -1.41 1 89 VAL -2.41 -0.77 1 90 SER 3.99 3.59 1 91 GLU 4.38 3.32 1 92 GLN 2.45 2.36 1 93 GLU 4.00 3.36 1 94 LEU 3.64 2.74 1 95 GLU 3.99 3.38 1 96 ASP 3.01 1.42 1 97 TYR 5.86 5.21 1 98 ILE 5.03 4.12 1 99 ARG 2.65 5.20 1 100 HIS 6.34 5.53 1 107 TRP 3.58 2.57 1 108 LEU 3.39 2.70 1 109 MET 4.11 3.49 1 110 LEU 3.86 2.53 1 111 LYS 5.64 4.47 1 112 VAL 3.63 2.46 1 113 LYS 3.71 3.48 1 114 GLU 4.56 3.30 1 115 GLN 3.00 3.11 1 116 GLU 5.73 4.75 1 117 LYS 6.05 4.86 1 118 THR 3.66 2.83 1 119 GLU 5.40 3.01 1 120 ALA 3.66 3.28 1 121 GLU 4.60 3.72 1 122 ARG 1.45 1.00 1 124 LYS 0.73 0.56 1 125 ASP 0.72 0.44 1 126 PHE 0.36 0.39 1 127 LEU -0.13 -0.12 1 128 THR 2.28 2.80 1 129 ALA 3.21 2.41 1 130 ALA 5.07 3.77 1 131 ARG 4.39 3.94 1 132 ILE 4.31 3.28 1 133 ALA 4.50 3.64 1 134 LYS 3.14 2.97 1 135 GLU 1.07 4.72 1 136 MET 5.04 4.29 1 137 ILE 3.38 2.51 1 138 GLU 3.20 3.84 1 139 MET 4.71 3.94 1 140 LYS 3.96 3.27 1 141 LYS 3.60 2.95 1 142 MET 1.37 1.19 1 143 LEU 0.59 0.59 1 144 SER 0.20 0.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6716_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.17 _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 -0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.89 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 VAL -3.10 6.21 0 10 GLN 5.19 -2.01 1 11 ASN 3.71 -0.08 1 12 ALA 3.30 -0.24 1 13 GLU 3.70 1.40 1 15 LEU 3.81 -1.20 1 16 LEU 3.30 0.10 1 17 LEU 2.95 0.42 1 18 ALA 3.61 -0.27 1 19 HIS 4.09 2.11 1 21 MET 3.15 0.52 1 22 ARG -0.95 1.33 1 23 SER -1.72 -0.08 1 24 ARG 3.15 -0.13 1 25 ASP 4.32 -0.61 1 26 VAL 5.00 -0.93 1 27 ALA 3.49 0.96 1 28 LEU 4.59 -1.47 1 29 VAL 5.37 -1.06 1 30 VAL 6.61 -0.71 1 31 GLN 4.62 -0.16 1 32 GLU 1.69 0.40 1 33 ARG 1.30 -0.29 1 34 ILE 0.14 1.19 1 41 GLU 5.17 -0.50 1 42 GLU 5.16 -1.43 1 43 HIS 1.21 0.14 1 44 ARG 4.33 -0.11 1 45 ALA 2.94 -0.49 1 46 LEU 3.93 -0.77 1 47 ALA 4.51 -1.34 1 48 ALA 4.47 -1.30 1 49 TYR 3.29 -0.16 1 50 ILE 0.19 -0.52 1 51 TYR -2.16 2.60 1 52 ALA 3.44 -0.69 1 53 PHE 3.79 0.11 1 54 TYR 4.69 -1.51 1 55 GLU 3.58 -0.66 1 56 GLU 0.06 0.54 1 58 HIS 0.01 1.42 1 59 GLU -1.69 0.73 1 60 ALA 1.93 0.28 1 61 ASP 1.07 -0.53 1 64 ALA 2.20 -0.51 1 65 LEU 4.82 -1.65 1 66 ILE 5.48 -1.06 1 67 SER 3.07 -0.45 1 68 ARG -0.67 0.67 1 69 ILE 1.29 -1.16 1 72 GLU 3.90 -1.24 1 73 LEU -3.17 2.32 1 74 GLN 3.90 -1.22 1 76 LEU 2.95 0.20 1 77 ALA 4.85 -1.21 1 78 SER 3.59 -0.36 1 79 GLU 3.64 -1.33 1 80 LEU 3.88 -0.99 1 81 SER -0.73 0.39 1 82 LEU 0.85 0.19 1 83 LEU 1.72 -1.81 1 84 LEU -2.82 1.65 1 85 ILE -1.43 1.07 1 86 ALA 0.89 0.48 1 87 ASP -1.52 0.70 1 88 ASP -1.84 0.43 1 89 VAL -2.41 1.64 1 90 SER 3.99 -0.40 1 91 GLU 4.38 -1.06 1 92 GLN 2.45 -0.09 1 93 GLU 4.00 -0.64 1 94 LEU 3.64 -0.90 1 95 GLU 3.99 -0.61 1 96 ASP 3.01 -1.59 1 97 TYR 5.86 -0.65 1 98 ILE 5.03 -0.91 1 99 ARG 2.65 2.55 1 100 HIS 6.34 -0.81 1 107 TRP 3.58 -1.01 1 108 LEU 3.39 -0.69 1 109 MET 4.11 -0.62 1 110 LEU 3.86 -1.33 1 111 LYS 5.64 -1.17 1 112 VAL 3.63 -1.17 1 113 LYS 3.71 -0.23 1 114 GLU 4.56 -1.26 1 115 GLN 3.00 0.11 1 116 GLU 5.73 -0.98 1 117 LYS 6.05 -1.19 1 118 THR 3.66 -0.83 1 119 GLU 5.40 -2.39 1 120 ALA 3.66 -0.38 1 121 GLU 4.60 -0.88 1 122 ARG 1.45 -0.45 1 124 LYS 0.73 -0.17 1 125 ASP 0.72 -0.28 1 126 PHE 0.36 0.03 1 127 LEU -0.13 0.01 1 128 THR 2.28 0.52 1 129 ALA 3.21 -0.80 1 130 ALA 5.07 -1.30 1 131 ARG 4.39 -0.45 1 132 ILE 4.31 -1.03 1 133 ALA 4.50 -0.86 1 134 LYS 3.14 -0.17 1 135 GLU 1.07 3.65 1 136 MET 5.04 -0.75 1 137 ILE 3.38 -0.87 1 138 GLU 3.20 0.64 1 139 MET 4.71 -0.77 1 140 LYS 3.96 -0.69 1 141 LYS 3.60 -0.65 1 142 MET 1.37 -0.18 1 143 LEU 0.59 0.00 1 144 SER 0.20 0.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6716_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 0.14 _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 0.07 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -0.46 _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 122 ARG 1.45 -1.26 0 24 ARG 3.15 -1.47 0 10 GLN 5.19 -0.86 1 11 ASN 3.71 -0.42 1 12 ALA 3.30 -0.49 1 13 GLU 3.70 -0.44 1 15 LEU 3.81 -0.49 1 16 LEU 3.30 -0.30 1 17 LEU 2.95 -0.07 1 18 ALA 3.61 -0.49 1 19 HIS 4.09 -0.49 1 21 MET 3.15 -0.58 1 22 ARG -0.95 0.13 1 23 SER -1.72 -0.26 1 25 ASP 4.32 -0.34 1 26 VAL 5.00 -0.53 1 27 ALA 3.49 -0.08 1 28 LEU 4.59 -0.15 1 29 VAL 5.37 -0.21 1 30 VAL 6.61 -0.67 1 31 GLN 4.62 -0.11 1 32 GLU 1.69 -0.28 1 33 ARG 1.30 -0.08 1 34 ILE 0.14 -0.12 1 42 GLU 5.16 -0.17 1 43 HIS 1.21 -0.40 1 44 ARG 4.33 -0.39 1 45 ALA 2.94 -0.11 1 46 LEU 3.93 -0.16 1 47 ALA 4.51 -1.06 1 48 ALA 4.47 -0.27 1 49 TYR 3.29 -0.38 1 51 TYR -2.16 -0.23 1 52 ALA 3.44 -0.22 1 53 PHE 3.79 -0.39 1 54 TYR 4.69 0.12 1 55 GLU 3.58 -0.16 1 56 GLU 0.06 -0.18 1 58 HIS 0.01 -0.36 1 59 GLU -1.69 0.25 1 60 ALA 1.93 0.21 1 61 ASP 1.07 -0.10 1 64 ALA 2.20 -0.19 1 65 LEU 4.82 -1.12 1 66 ILE 5.48 -0.86 1 67 SER 3.07 -0.27 1 68 ARG -0.67 0.08 1 69 ILE 1.29 -0.61 1 72 GLU 3.90 -0.16 1 73 LEU -3.17 0.34 1 74 GLN 3.90 -0.09 1 76 LEU 2.95 -0.53 1 77 ALA 4.85 -0.23 1 78 SER 3.59 -0.40 1 79 GLU 3.64 -0.35 1 80 LEU 3.88 -0.20 1 81 SER -0.73 0.06 1 82 LEU 0.85 -0.26 1 83 LEU 1.72 0.07 1 84 LEU -2.82 0.29 1 85 ILE -1.43 0.12 1 86 ALA 0.89 -0.05 1 87 ASP -1.52 0.16 1 88 ASP -1.84 0.15 1 89 VAL -2.41 0.11 1 90 SER 3.99 -0.41 1 91 GLU 4.38 -0.36 1 92 GLN 2.45 -0.54 1 93 GLU 4.00 -0.45 1 94 LEU 3.64 -0.45 1 95 GLU 3.99 -0.25 1 96 ASP 3.01 0.15 1 97 TYR 5.86 -0.65 1 98 ILE 5.03 -0.38 1 99 ARG 2.65 -0.18 1 100 HIS 6.34 -0.43 1 101 VAL -3.10 -0.24 1 107 TRP 3.58 -0.19 1 108 LEU 3.39 -0.15 1 109 MET 4.11 -0.30 1 110 LEU 3.86 -0.12 1 111 LYS 5.64 -0.30 1 112 VAL 3.63 -0.12 1 113 LYS 3.71 -0.40 1 114 GLU 4.56 -0.15 1 115 GLN 3.00 -0.24 1 116 GLU 5.73 -0.49 1 117 LYS 6.05 -0.27 1 118 THR 3.66 -0.24 1 119 GLU 5.40 -0.22 1 120 ALA 4.60 -0.26 1 124 LYS 0.73 -0.43 1 125 ASP 0.72 0.00 1 126 PHE 0.36 0.07 1 127 LEU -0.13 0.02 1 128 THR 2.28 0.04 1 129 ALA 3.21 -0.06 1 130 ALA 5.07 -0.20 1 131 ARG 4.39 -0.35 1 132 ILE 4.31 -0.19 1 133 ALA 4.50 -0.20 1 134 LYS 3.14 -0.24 1 135 GLU 1.07 -0.54 1 136 MET 5.04 -0.45 1 137 ILE 3.38 -0.27 1 138 GLU 3.20 -0.37 1 139 MET 4.71 -0.52 1 140 LYS 3.96 -0.20 1 141 LYS 3.60 -0.15 1 142 MET 1.37 -0.20 1 143 LEU 0.59 0.13 1 144 SER 0.20 0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6716_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 -1.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.66 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 3.11 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 TYR -2.16 4.01 0 101 VAL -3.10 3.87 0 10 GLN 5.19 2.04 1 11 ASN 3.71 0.99 1 12 ALA 3.30 0.92 1 13 GLU 3.70 1.34 1 15 LEU 3.81 -0.26 1 16 LEU 3.30 1.43 1 17 LEU 2.95 1.28 1 18 ALA 3.61 3.56 1 19 HIS 4.09 5.51 1 21 MET 3.15 -1.10 1 22 ARG -0.95 -0.38 1 23 SER -1.72 -1.31 1 24 ARG 3.15 0.83 1 25 ASP 4.32 3.26 1 26 VAL 5.00 2.04 1 27 ALA 3.49 1.29 1 28 LEU 4.59 2.98 1 29 VAL 5.37 2.22 1 30 VAL 6.61 2.17 1 31 GLN 4.62 0.94 1 32 GLU 1.69 1.66 1 33 ARG 1.30 0.58 1 34 ILE 0.14 1.33 1 41 GLU 5.17 2.01 1 42 GLU 5.16 1.34 1 43 HIS 1.21 2.58 1 44 ARG 4.33 2.81 1 45 ALA 2.94 1.96 1 46 LEU 3.93 0.82 1 47 ALA 4.51 -0.86 1 48 ALA 4.47 4.06 1 49 TYR 3.29 1.71 1 50 ILE 0.19 2.33 1 52 ALA 3.44 1.42 1 53 PHE 3.79 2.28 1 54 TYR 4.69 5.05 1 55 GLU 3.58 1.56 1 56 GLU 0.06 0.52 1 58 HIS 0.01 1.65 1 59 GLU -1.69 -0.33 1 60 ALA 1.93 0.91 1 61 ASP 1.07 3.68 1 64 ALA 2.20 2.64 1 65 LEU 4.82 1.19 1 66 ILE 5.48 0.97 1 67 SER 3.07 0.47 1 68 ARG -0.67 -0.24 1 69 ILE 1.29 -1.91 1 72 GLU 3.90 1.15 1 73 LEU -3.17 -1.56 1 74 GLN 3.90 0.21 1 76 LEU 2.95 1.65 1 77 ALA 4.85 3.69 1 78 SER 3.59 3.43 1 79 GLU 3.64 1.79 1 80 LEU 3.88 0.03 1 81 SER -0.73 0.21 1 82 LEU 0.85 -0.63 1 83 LEU 1.72 -1.37 1 84 LEU -2.82 -1.09 1 85 ILE -1.43 -0.81 1 86 ALA 0.89 -0.26 1 87 ASP -1.52 -1.33 1 88 ASP -1.84 -2.08 1 89 VAL -2.41 0.14 1 90 SER 3.99 2.11 1 91 GLU 4.38 2.08 1 92 GLN 2.45 1.15 1 93 GLU 4.00 1.10 1 94 LEU 3.64 2.28 1 95 GLU 3.99 2.63 1 96 ASP 3.01 2.56 1 97 TYR 5.86 1.13 1 98 ILE 5.03 2.42 1 99 ARG 2.65 5.01 1 100 HIS 6.34 5.01 1 107 TRP 3.58 2.19 1 108 LEU 3.39 2.38 1 109 MET 4.11 0.91 1 110 LEU 3.86 3.07 1 111 LYS 5.64 2.82 1 112 VAL 3.63 1.40 1 113 LYS 3.71 2.91 1 114 GLU 4.56 2.68 1 115 GLN 3.00 3.53 1 116 GLU 5.73 1.09 1 117 LYS 6.05 2.41 1 118 THR 3.66 2.08 1 119 GLU 5.40 1.97 1 120 ALA 3.66 4.45 1 121 GLU 4.60 1.83 1 122 ARG 1.45 -0.98 1 124 LYS 0.73 -0.21 1 125 ASP 0.72 -0.07 1 126 PHE 0.36 -0.22 1 127 LEU -0.13 -1.35 1 128 THR 2.28 2.66 1 129 ALA 3.21 2.79 1 130 ALA 5.07 3.10 1 131 ARG 4.39 2.02 1 132 ILE 4.31 2.78 1 133 ALA 4.50 2.70 1 134 LYS 3.14 3.74 1 135 GLU 1.07 1.70 1 136 MET 5.04 2.57 1 137 ILE 3.38 2.85 1 138 GLU 3.20 2.32 1 139 MET 4.71 2.59 1 140 LYS 3.96 2.41 1 141 LYS 3.60 1.78 1 142 MET 1.37 0.12 1 143 LEU 0.59 -0.18 1 144 SER 0.20 4.24 1 stop_ save_