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 bmr11122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.57 _LACS_plot.Line_1_terminator_val_y_1 -1.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 6.92 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLU 4.59 0.79 0 43 ASP -0.80 -3.34 0 10 VAL -0.05 -0.08 1 11 SER -0.40 -0.08 1 15 THR -0.08 -0.08 1 17 GLU -0.42 0.13 1 19 ARG -0.37 -0.29 1 21 ALA -0.28 -0.13 1 22 THR -0.18 -0.17 1 25 ALA -0.37 0.02 1 26 SER -0.52 -0.20 1 27 SER -2.27 -0.71 1 28 VAL 6.07 5.20 1 29 GLU 3.57 3.03 1 30 GLN 4.17 3.28 1 31 LEU 2.14 2.77 1 32 ARG 4.79 4.58 1 33 LYS 4.97 4.13 1 34 GLU 3.32 2.80 1 36 ASN 4.22 2.54 1 37 GLU 3.82 2.75 1 38 LEU 4.54 2.91 1 39 PHE 4.36 4.60 1 40 LYS 3.95 3.36 1 44 TYR 4.63 3.41 1 47 ALA 3.72 3.14 1 48 LEU 3.65 3.62 1 49 ALA 4.30 2.99 1 50 ALA 5.31 3.08 1 51 TYR 0.98 0.66 1 52 THR 6.55 5.50 1 53 GLN 4.44 3.41 1 54 ALA 2.80 2.62 1 55 LEU 1.44 1.50 1 57 LEU -1.23 -1.68 1 58 ASP 1.77 0.32 1 59 ALA -2.57 -1.29 1 60 THR 2.16 0.97 1 62 GLN 5.67 4.18 1 63 ASP 3.42 3.21 1 64 GLN 4.99 3.89 1 65 ALA 4.61 4.22 1 66 VAL 5.04 4.13 1 67 LEU 4.62 3.32 1 68 HIS 6.54 5.61 1 69 ARG 5.26 3.84 1 70 ASN 6.02 2.27 1 71 ARG 8.91 7.17 1 72 ALA 5.45 3.99 1 73 ALA 3.61 2.90 1 75 HIS 3.92 4.77 1 76 LEU 4.16 3.72 1 77 LYS 2.72 0.61 1 78 LEU 0.65 -0.08 1 80 ASP -1.70 -2.85 1 81 TYR 5.46 3.73 1 82 ASP 3.38 3.25 1 83 LYS 5.54 2.99 1 84 ALA 3.31 3.57 1 85 GLU 5.96 4.83 1 86 THR 5.84 4.78 1 87 GLU 3.05 2.58 1 88 ALA 5.00 3.30 1 89 SER 6.16 4.97 1 90 LYS 4.74 2.70 1 91 ALA 3.56 3.27 1 92 ILE 1.65 2.17 1 93 GLU 2.21 2.18 1 94 LYS 0.74 0.84 1 95 ASP -0.54 -0.35 1 98 ASP 0.10 -0.60 1 99 VAL 3.57 2.58 1 100 LYS 4.46 3.74 1 101 ALA 2.77 3.11 1 102 LEU 1.47 3.23 1 103 TYR 3.11 2.72 1 104 ARG 4.44 3.00 1 105 ARG 7.01 6.09 1 107 GLN 2.57 3.12 1 108 ALA 3.49 2.80 1 109 LEU 3.77 2.84 1 110 GLU 4.07 3.63 1 111 LYS 3.18 0.86 1 112 LEU -0.61 0.02 1 114 ARG 0.16 -1.97 1 115 LEU 4.31 3.23 1 116 ASP 4.98 2.82 1 117 GLN 3.14 2.45 1 118 ALA 4.12 3.35 1 119 VAL 5.92 4.86 1 120 LEU 4.07 3.12 1 121 ASP 4.56 3.71 1 122 LEU 2.10 3.33 1 123 GLN 5.14 3.59 1 124 ARG 4.73 3.29 1 126 VAL 3.81 2.97 1 127 SER 3.47 2.92 1 128 LEU 1.19 1.82 1 129 GLU -1.71 0.28 1 131 LYS 0.49 -0.84 1 132 ASN 0.72 0.43 1 133 LYS 3.26 2.74 1 134 VAL 5.78 3.85 1 135 PHE 1.81 -0.61 1 136 GLN 4.16 3.44 1 137 GLU 3.24 2.68 1 138 ALA 2.71 2.62 1 139 LEU 3.12 2.49 1 140 ARG 4.01 3.09 1 141 ASN 2.42 2.31 1 142 ILE 1.04 1.31 1 143 SER 0.49 0.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.57 _LACS_plot.Line_1_terminator_val_y_1 1.52 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.70 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLU 4.59 -3.80 0 43 ASP -0.80 -2.54 0 10 VAL -0.05 -0.03 1 11 SER -0.40 0.32 1 15 THR -0.08 0.00 1 17 GLU -0.42 0.55 1 19 ARG -0.37 0.08 1 21 ALA -0.28 0.15 1 22 THR -0.18 0.01 1 25 ALA -0.37 0.39 1 26 SER -0.52 0.32 1 27 SER -2.27 1.56 1 28 VAL 6.07 -0.87 1 29 GLU 3.57 -0.54 1 30 GLN 4.17 -0.89 1 31 LEU 2.14 0.63 1 32 ARG 4.79 -0.21 1 33 LYS 4.97 -0.84 1 34 GLU 3.32 -0.52 1 36 ASN 4.22 -1.68 1 37 GLU 3.82 -1.07 1 38 LEU 4.54 -1.63 1 39 PHE 4.36 0.24 1 40 LYS 3.95 -0.59 1 44 TYR 4.63 -1.22 1 47 ALA 3.72 -0.58 1 48 LEU 3.65 -0.03 1 49 ALA 4.30 -1.31 1 50 ALA 5.31 -2.23 1 51 TYR 0.98 -0.32 1 52 THR 6.55 -1.05 1 53 GLN 4.44 -1.03 1 54 ALA 2.80 -0.18 1 55 LEU 1.44 0.06 1 57 LEU -1.23 -0.45 1 58 ASP 1.77 -1.45 1 59 ALA -2.57 1.28 1 60 THR 2.16 -1.19 1 62 GLN 5.67 -1.49 1 63 ASP 3.42 -0.21 1 64 GLN 4.99 -1.10 1 65 ALA 4.61 -0.39 1 66 VAL 5.04 -0.91 1 67 LEU 4.62 -1.30 1 68 HIS 6.54 -0.93 1 69 ARG 5.26 -1.42 1 70 ASN 6.02 -3.75 1 71 ARG 8.91 -1.74 1 72 ALA 5.45 -1.46 1 73 ALA 3.61 -0.71 1 75 HIS 3.92 0.85 1 76 LEU 4.16 -0.44 1 77 LYS 2.72 -2.11 1 78 LEU 0.65 -0.73 1 80 ASP -1.70 -1.15 1 81 TYR 5.46 -1.73 1 82 ASP 3.38 -0.13 1 83 LYS 5.54 -2.55 1 84 ALA 3.31 0.26 1 85 GLU 5.96 -1.13 1 86 THR 5.84 -1.06 1 87 GLU 3.05 -0.47 1 88 ALA 5.00 -1.70 1 89 SER 6.16 -1.19 1 90 LYS 4.74 -2.04 1 91 ALA 3.56 -0.29 1 92 ILE 1.65 0.52 1 93 GLU 2.21 -0.03 1 94 LYS 0.74 0.10 1 95 ASP -0.54 0.19 1 98 ASP 0.10 -0.70 1 99 VAL 3.57 -0.99 1 100 LYS 4.46 -0.72 1 101 ALA 2.77 0.34 1 102 LEU 1.47 1.76 1 103 TYR 3.11 -0.39 1 104 ARG 4.44 -1.44 1 105 ARG 7.01 -0.92 1 107 GLN 2.57 0.55 1 108 ALA 3.49 -0.69 1 109 LEU 3.77 -0.93 1 110 GLU 4.07 -0.44 1 111 LYS 3.18 -2.32 1 112 LEU -0.61 0.63 1 114 ARG 0.16 -2.13 1 115 LEU 4.31 -1.08 1 116 ASP 4.98 -2.16 1 117 GLN 3.14 -0.69 1 118 ALA 4.12 -0.77 1 119 VAL 5.92 -1.06 1 120 LEU 4.07 -0.95 1 121 ASP 4.56 -0.85 1 122 LEU 2.10 1.23 1 123 GLN 5.14 -1.55 1 124 ARG 4.73 -1.44 1 126 VAL 3.81 -0.84 1 127 SER 3.47 -0.55 1 128 LEU 1.19 0.63 1 129 GLU -1.71 1.99 1 131 LYS 0.49 -1.33 1 132 ASN 0.72 -0.29 1 133 LYS 3.26 -0.52 1 134 VAL 5.78 -1.93 1 135 PHE 1.81 -2.42 1 136 GLN 4.16 -0.72 1 137 GLU 3.24 -0.56 1 138 ALA 2.71 -0.09 1 139 LEU 3.12 -0.63 1 140 ARG 4.01 -0.92 1 141 ASN 2.42 -0.11 1 142 ILE 1.04 0.27 1 143 SER 0.49 0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.57 _LACS_plot.Line_1_terminator_val_y_1 0.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLU 4.59 -1.43 0 10 VAL -0.05 0.09 1 11 SER -0.40 0.07 1 15 THR -0.08 -0.02 1 17 GLU -0.42 -0.10 1 19 ARG -0.37 -0.04 1 21 ALA -0.28 0.01 1 22 THR -0.18 -0.03 1 25 ALA -0.37 0.04 1 26 SER -0.52 0.12 1 27 SER -2.27 0.18 1 28 VAL 6.07 -0.63 1 29 GLU 3.57 -0.36 1 30 GLN 4.17 -0.35 1 31 LEU 2.14 -0.25 1 32 ARG 4.79 -0.47 1 33 LYS 4.97 -0.34 1 34 GLU 3.32 -0.35 1 36 ASN 4.22 -0.27 1 37 GLU 3.82 -0.21 1 38 LEU 4.54 -0.22 1 39 PHE 4.36 -1.03 1 40 LYS 3.95 -0.24 1 43 ASP -0.80 0.01 1 44 TYR 4.63 -0.39 1 47 ALA 3.72 -0.58 1 48 LEU 3.65 -0.34 1 49 ALA 4.30 -0.19 1 50 ALA 5.31 -0.17 1 51 TYR 0.98 -0.20 1 52 THR 6.55 -0.50 1 53 GLN 4.44 -0.34 1 54 ALA 2.80 -0.41 1 55 LEU 1.44 -0.38 1 57 LEU -1.23 0.26 1 58 ASP 1.77 -0.07 1 59 ALA -2.57 0.39 1 60 THR 2.16 0.02 1 62 GLN 5.67 -0.29 1 63 ASP 3.42 -0.22 1 64 GLN 4.99 -0.65 1 65 ALA 4.61 -0.32 1 66 VAL 5.04 -0.81 1 67 LEU 4.62 -0.77 1 68 HIS 6.54 -0.23 1 69 ARG 5.26 -0.52 1 70 ASN 6.02 -0.52 1 71 ARG 8.91 -0.38 1 72 ALA 5.45 -0.21 1 73 ALA 3.61 -0.20 1 75 HIS 3.92 -0.28 1 76 LEU 4.16 -0.53 1 77 LYS 2.72 -0.42 1 78 LEU 0.65 -0.10 1 80 ASP -1.70 0.20 1 81 TYR 5.46 -0.54 1 82 ASP 3.38 -0.21 1 83 LYS 5.54 -0.40 1 84 ALA 3.31 -0.27 1 85 GLU 5.96 -0.67 1 86 THR 5.84 -0.55 1 87 GLU 3.05 -0.48 1 88 ALA 5.00 -0.49 1 89 SER 6.16 -0.34 1 90 LYS 4.74 -0.47 1 91 ALA 3.56 -0.27 1 92 ILE 1.65 -0.38 1 93 GLU 2.21 -0.45 1 94 LYS 0.74 -0.12 1 95 ASP -0.54 -0.06 1 98 ASP 0.10 -0.12 1 99 VAL 3.57 -0.28 1 100 LYS 4.46 -0.12 1 101 ALA 2.77 -0.53 1 102 LEU 1.47 -0.56 1 103 TYR 3.11 -0.48 1 104 ARG 4.44 -0.34 1 105 ARG 7.01 -0.73 1 107 GLN 2.57 -0.35 1 108 ALA 3.49 -0.44 1 109 LEU 3.77 -0.53 1 110 GLU 4.07 -0.73 1 111 LYS 3.18 -0.52 1 112 LEU -0.61 -0.07 1 114 ARG 0.16 0.34 1 115 LEU 4.31 -0.60 1 116 ASP 4.98 -0.44 1 117 GLN 3.14 -0.40 1 118 ALA 4.12 -0.49 1 119 VAL 5.92 -0.67 1 120 LEU 4.07 -0.28 1 121 ASP 4.56 -0.25 1 122 LEU 2.10 -0.35 1 123 GLN 5.14 -0.41 1 124 ARG 4.73 -0.24 1 126 VAL 3.81 -0.28 1 127 SER 3.47 -0.29 1 128 LEU 1.19 -0.07 1 129 GLU -1.71 0.28 1 131 LYS 0.49 0.06 1 132 ASN 0.72 -0.33 1 133 LYS 3.26 -0.47 1 134 VAL 5.78 -0.52 1 135 PHE 1.81 -0.17 1 136 GLN 4.16 -0.41 1 137 GLU 3.24 -0.32 1 138 ALA 2.71 -0.07 1 139 LEU 3.12 -0.23 1 140 ARG 4.01 -0.31 1 141 ASN 2.42 -0.21 1 142 ILE 1.04 0.16 1 143 SER 0.49 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.57 _LACS_plot.Line_1_terminator_val_y_1 -1.06 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.08 _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 8.91 _LACS_plot.Line_2_terminator_val_y_2 3.99 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 GLU 4.59 -2.80 0 10 VAL -0.05 -0.29 1 11 SER -0.40 -0.12 1 15 THR -0.08 -0.32 1 19 ARG -0.37 -0.26 1 21 ALA -0.28 -0.04 1 22 THR -0.18 -0.20 1 25 ALA -0.37 0.11 1 26 SER -0.52 -0.72 1 27 SER -2.27 0.08 1 28 VAL 6.07 0.97 1 29 GLU 3.57 2.11 1 30 GLN 4.17 2.90 1 31 LEU 2.14 1.52 1 32 ARG 4.79 1.44 1 33 LYS 4.97 2.76 1 34 GLU 3.32 3.25 1 36 ASN 4.22 3.46 1 37 GLU 3.82 2.79 1 38 LEU 4.54 1.23 1 39 PHE 4.36 3.66 1 40 LYS 3.95 1.33 1 43 ASP -0.80 -0.39 1 44 TYR 4.63 2.47 1 47 ALA 3.72 -0.31 1 48 LEU 3.65 2.64 1 49 ALA 4.30 2.19 1 50 ALA 5.31 2.19 1 51 TYR 0.98 2.54 1 52 THR 6.55 1.58 1 53 GLN 4.44 3.63 1 54 ALA 2.80 0.49 1 55 LEU 1.44 0.33 1 57 LEU -1.23 -1.64 1 58 ASP 1.77 -0.82 1 59 ALA -2.57 0.20 1 60 THR 2.16 0.60 1 62 GLN 5.67 2.66 1 63 ASP 3.42 3.04 1 64 GLN 4.99 1.23 1 65 ALA 4.61 1.25 1 66 VAL 5.04 1.39 1 67 LEU 4.62 2.18 1 68 HIS 6.54 4.02 1 69 ARG 5.26 2.48 1 70 ASN 6.02 3.43 1 71 ARG 8.91 1.82 1 72 ALA 5.45 0.88 1 73 ALA 3.61 2.80 1 75 HIS 3.92 4.22 1 76 LEU 4.16 3.15 1 77 LYS 2.72 2.06 1 78 LEU 0.65 -2.34 1 80 ASP -1.70 0.12 1 81 TYR 5.46 1.16 1 82 ASP 3.38 2.36 1 83 LYS 5.54 2.13 1 84 ALA 3.31 0.83 1 85 GLU 5.96 1.84 1 86 THR 5.84 3.01 1 87 GLU 3.05 1.69 1 88 ALA 5.00 2.10 1 89 SER 6.16 1.80 1 90 LYS 4.74 2.35 1 91 ALA 3.56 1.15 1 92 ILE 1.65 1.24 1 93 GLU 2.21 1.81 1 94 LYS 0.74 0.14 1 95 ASP -0.54 -1.14 1 98 ASP 0.10 -0.41 1 99 VAL 3.57 0.93 1 100 LYS 4.46 2.88 1 101 ALA 2.77 1.29 1 102 LEU 1.47 0.57 1 103 TYR 3.11 3.97 1 104 ARG 4.44 1.85 1 105 ARG 7.01 2.53 1 107 GLN 2.57 3.00 1 108 ALA 3.49 0.86 1 109 LEU 3.77 1.69 1 110 GLU 4.07 3.47 1 111 LYS 3.18 2.18 1 112 LEU -0.61 -0.54 1 114 ARG 0.16 0.05 1 115 LEU 4.31 0.67 1 116 ASP 4.98 2.82 1 117 GLN 3.14 1.83 1 118 ALA 4.12 1.76 1 119 VAL 5.92 1.07 1 120 LEU 4.07 2.98 1 121 ASP 4.56 3.09 1 122 LEU 2.10 1.74 1 123 GLN 5.14 3.85 1 124 ARG 4.73 2.55 1 126 VAL 3.81 1.12 1 127 SER 3.47 1.90 1 128 LEU 1.19 0.69 1 129 GLU -1.71 -1.07 1 131 LYS 0.49 -0.13 1 132 ASN 0.72 1.18 1 133 LYS 3.26 1.50 1 134 VAL 5.78 3.35 1 135 PHE 1.81 1.57 1 136 GLN 4.16 3.34 1 137 GLU 3.24 1.57 1 138 ALA 2.71 2.58 1 139 LEU 3.12 1.52 1 140 ARG 4.01 2.48 1 141 ASN 2.42 1.69 1 142 ILE 1.04 -0.41 1 143 SER 0.49 -0.09 1 stop_ save_