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 bmr17512_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.15 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 8.21 _LACS_plot.Line_2_terminator_val_y_2 6.17 _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 42 PHE 2.62 -1.15 0 10 ALA 3.38 2.73 1 11 GLU 2.77 3.45 1 12 ARG 3.80 3.34 1 13 ALA 4.87 2.63 1 14 PHE 2.81 3.66 1 15 LEU 3.82 3.15 1 19 MET 1.14 2.21 1 20 ARG 3.12 3.47 1 21 ASP -2.60 -0.39 1 22 LYS 3.39 3.05 1 23 ASP 4.41 3.86 1 24 THR 7.82 5.73 1 25 PHE 6.19 5.11 1 26 LEU 3.64 2.61 1 27 ASN 0.93 1.83 1 28 TYR -0.23 2.59 1 29 TYR 6.87 4.80 1 30 GLU 0.50 -0.09 1 31 SER 2.35 2.57 1 32 VAL -5.15 -2.68 1 33 ASP -3.22 -1.32 1 34 LYS 4.46 3.22 1 35 ASP 2.88 1.86 1 36 ASN 0.84 0.13 1 37 PHE 2.49 2.48 1 38 THR 1.78 1.73 1 39 ASN -1.03 0.12 1 40 GLN 3.55 2.68 1 41 HIS 2.74 4.23 1 43 LYS 4.34 3.96 1 44 TYR 2.78 1.85 1 45 VAL 8.22 4.93 1 46 PHE 4.50 3.92 1 47 GLU 3.40 3.73 1 48 VAL 4.98 3.44 1 49 LEU 3.33 2.73 1 50 HIS 5.69 5.20 1 51 ASP 3.55 2.83 1 52 PHE 4.14 4.23 1 53 TYR 2.86 1.34 1 54 ALA 2.89 2.00 1 55 GLU -3.75 -1.35 1 56 ASN -5.02 -0.62 1 57 ASP 0.18 1.42 1 58 GLN -3.15 -1.09 1 59 TYR 3.49 2.84 1 60 ASN -3.40 -0.38 1 61 ILE 2.78 1.42 1 62 SER 4.82 3.44 1 63 ASP 1.39 2.02 1 64 ALA 2.74 2.91 1 65 VAL 4.50 3.10 1 66 GLN 2.35 1.43 1 67 TYR 1.37 1.65 1 68 VAL -2.65 -1.89 1 69 ASN -2.45 -0.05 1 70 SER -4.10 -2.08 1 71 ASN 4.29 3.45 1 72 GLU 4.42 3.41 1 73 LEU 2.28 1.72 1 75 GLU 3.91 3.08 1 76 THR 7.43 5.37 1 77 LEU 4.84 3.77 1 78 ILE 5.32 4.34 1 79 SER 4.79 3.70 1 80 LEU 2.89 2.65 1 81 GLU 2.28 1.85 1 82 GLN 0.98 0.60 1 83 TYR 0.28 0.46 1 84 ASN -3.55 -1.90 1 85 LEU 1.47 1.30 1 86 ASN 2.30 1.45 1 87 ASP 1.12 0.75 1 88 GLU -2.39 -2.37 1 90 TYR -0.01 0.14 1 91 GLU 1.21 0.68 1 92 ASN -0.65 0.26 1 93 GLU 3.89 4.50 1 94 ILE 3.03 2.81 1 95 ASP 3.88 3.19 1 96 ASP 3.50 2.11 1 97 TYR 6.24 4.47 1 98 VAL 4.03 2.94 1 99 ASN 4.79 4.05 1 100 VAL 3.73 3.37 1 101 ILE 1.39 0.54 1 102 ASN 1.75 1.73 1 103 GLU 1.43 0.54 1 104 LYS -0.32 -0.06 1 106 GLN -0.82 -0.24 1 107 GLU -3.60 -1.56 1 108 THR 4.01 2.70 1 109 ILE 4.42 3.62 1 110 GLU 4.49 3.28 1 111 SER 2.50 2.98 1 112 LEU 3.80 3.68 1 113 ASN 5.42 6.27 1 114 HIS 7.04 3.63 1 115 LYS 3.87 3.20 1 116 LEU 5.28 4.11 1 117 ARG 2.68 2.26 1 118 GLU 3.16 2.47 1 119 ALA 5.68 4.38 1 120 THR 4.27 3.78 1 121 ARG 0.87 0.65 1 122 ILE -1.09 -1.13 1 124 ASP 4.54 3.62 1 125 VAL 3.82 2.76 1 126 GLU 2.11 1.81 1 127 LEU 4.65 4.17 1 128 GLN 4.46 3.83 1 129 LYS 3.93 3.35 1 130 TYR 5.38 4.68 1 131 TYR 4.32 3.70 1 132 LEU 4.52 3.10 1 133 GLN 2.27 2.50 1 134 GLN 4.98 5.06 1 135 ILE 5.11 3.96 1 136 VAL 2.95 2.19 1 137 ALA 2.41 1.27 1 138 LYS 1.57 1.50 1 139 ASN 3.09 1.31 1 140 LYS 0.26 0.54 1 141 GLU 0.21 0.08 1 142 ARG 0.79 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17512_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.15 _LACS_plot.Line_1_terminator_val_y_1 2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 8.21 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _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 42 PHE 2.62 -3.77 0 10 ALA 3.38 -0.65 1 11 GLU 2.77 0.68 1 12 ARG 3.80 -0.46 1 13 ALA 4.87 -2.24 1 14 PHE 2.81 0.85 1 15 LEU 3.82 -0.67 1 19 MET 1.14 1.07 1 20 ARG 3.12 0.35 1 21 ASP -2.60 2.21 1 22 LYS 3.39 -0.34 1 23 ASP 4.41 -0.55 1 24 THR 7.82 -2.09 1 25 PHE 6.19 -1.08 1 26 LEU 3.64 -1.03 1 27 ASN 0.93 0.90 1 28 TYR -0.23 2.82 1 29 TYR 6.87 -2.07 1 30 GLU 0.50 -0.59 1 31 SER 2.35 0.22 1 32 VAL -5.15 2.47 1 33 ASP -3.22 1.90 1 34 LYS 4.46 -1.24 1 35 ASP 2.88 -1.02 1 36 ASN 0.84 -0.71 1 37 PHE 2.49 -0.01 1 38 THR 1.78 -0.05 1 39 ASN -1.03 1.15 1 40 GLN 3.55 -0.87 1 41 HIS 2.74 1.49 1 43 LYS 4.34 -0.38 1 44 TYR 2.78 -0.93 1 45 VAL 8.22 -3.29 1 46 PHE 4.50 -0.58 1 47 GLU 3.40 0.33 1 48 VAL 4.98 -1.54 1 49 LEU 3.33 -0.60 1 50 HIS 5.69 -0.49 1 51 ASP 3.55 -0.72 1 52 PHE 4.14 0.09 1 53 TYR 2.86 -1.52 1 54 ALA 2.89 -0.89 1 55 GLU -3.75 2.40 1 56 ASN -5.02 4.40 1 57 ASP 0.18 1.24 1 58 GLN -3.15 2.06 1 59 TYR 3.49 -0.65 1 60 ASN -3.40 3.02 1 61 ILE 2.78 -1.36 1 62 SER 4.82 -1.38 1 63 ASP 1.39 0.63 1 64 ALA 2.74 0.17 1 65 VAL 4.50 -1.40 1 66 GLN 2.35 -0.92 1 67 TYR 1.37 0.28 1 68 VAL -2.65 0.76 1 69 ASN -2.45 2.40 1 70 SER -4.10 2.02 1 71 ASN 4.29 -0.84 1 72 GLU 4.42 -1.01 1 73 LEU 2.28 -0.56 1 75 GLU 3.91 -0.83 1 76 THR 7.43 -2.06 1 77 LEU 4.84 -1.07 1 78 ILE 5.32 -0.98 1 79 SER 4.79 -1.09 1 80 LEU 2.89 -0.24 1 81 GLU 2.28 -0.43 1 82 GLN 0.98 -0.38 1 83 TYR 0.28 0.18 1 84 ASN -3.55 1.65 1 85 LEU 1.47 -0.17 1 86 ASN 2.30 -0.85 1 87 ASP 1.12 -0.37 1 88 GLU -2.39 0.02 1 90 TYR -0.01 0.15 1 91 GLU 1.21 -0.53 1 92 ASN -0.65 0.91 1 93 GLU 3.89 0.61 1 94 ILE 3.03 -0.22 1 95 ASP 3.88 -0.69 1 96 ASP 3.50 -1.39 1 97 TYR 6.24 -1.77 1 98 VAL 4.03 -1.09 1 99 ASN 4.79 -0.74 1 100 VAL 3.73 -0.36 1 101 ILE 1.39 -0.85 1 102 ASN 1.75 -0.02 1 103 GLU 1.43 -0.89 1 104 LYS -0.32 0.26 1 106 GLN -0.82 0.58 1 107 GLU -3.60 2.04 1 108 THR 4.01 -1.31 1 109 ILE 4.42 -0.80 1 110 GLU 4.49 -1.21 1 111 SER 2.50 0.48 1 112 LEU 3.80 -0.12 1 113 ASN 5.42 0.85 1 114 HIS 7.04 -3.41 1 115 LYS 3.87 -0.67 1 116 LEU 5.28 -1.17 1 117 ARG 2.68 -0.42 1 118 GLU 3.16 -0.69 1 119 ALA 5.68 -1.30 1 120 THR 4.27 -0.49 1 121 ARG 0.87 -0.22 1 122 ILE -1.09 -0.04 1 124 ASP 4.54 -0.92 1 125 VAL 3.82 -1.06 1 126 GLU 2.11 -0.30 1 127 LEU 4.65 -0.48 1 128 GLN 4.46 -0.63 1 129 LYS 3.93 -0.58 1 130 TYR 5.38 -0.70 1 131 TYR 4.32 -0.62 1 132 LEU 4.52 -1.42 1 133 GLN 2.27 0.23 1 134 GLN 4.98 0.08 1 135 ILE 5.11 -1.15 1 136 VAL 2.95 -0.76 1 137 ALA 2.41 -1.14 1 138 LYS 1.57 -0.07 1 139 ASN 3.09 -1.78 1 140 LYS 0.26 0.28 1 141 GLU 0.21 -0.13 1 142 ARG 0.79 1.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17512_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.15 _LACS_plot.Line_1_terminator_val_y_1 0.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 8.21 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 ASN -5.02 -0.35 0 10 ALA 3.38 -0.28 1 11 GLU 2.77 -0.51 1 12 ARG 3.80 -0.11 1 13 ALA 4.87 -0.70 1 14 PHE 2.81 -0.67 1 15 LEU 3.82 -0.33 1 20 ARG 3.12 -0.36 1 21 ASP -2.60 0.25 1 23 ASP 4.41 -0.29 1 24 THR 7.82 -0.34 1 25 PHE 6.19 -0.48 1 26 LEU 3.64 -0.49 1 27 ASN 0.93 -0.28 1 28 TYR -0.23 0.21 1 29 TYR 6.87 -0.35 1 30 GLU 0.50 -0.18 1 31 SER 2.35 -0.34 1 32 VAL -5.15 0.35 1 33 ASP -3.22 0.10 1 34 LYS 4.46 -0.22 1 35 ASP 2.88 -0.09 1 36 ASN 0.84 -0.22 1 37 PHE 2.49 -0.81 1 38 THR 1.78 -0.21 1 39 ASN -1.03 -0.07 1 40 GLN 3.55 -0.66 1 41 HIS 2.74 -0.36 1 42 PHE 2.62 -0.20 1 43 LYS 4.34 -0.45 1 44 TYR 2.78 -0.06 1 45 VAL 8.22 -0.25 1 46 PHE 4.50 -0.51 1 47 GLU 3.40 -0.51 1 48 VAL 4.98 -0.25 1 49 LEU 3.33 -0.39 1 50 HIS 5.69 -0.77 1 51 ASP 3.55 -0.37 1 52 PHE 4.14 -0.59 1 53 TYR 2.86 0.18 1 54 ALA 2.89 -0.25 1 55 GLU -3.75 0.05 1 57 ASP 0.18 -0.58 1 58 GLN -3.15 0.42 1 59 TYR 3.49 -0.68 1 60 ASN -3.40 -0.37 1 61 ILE 2.78 -0.42 1 62 SER 4.82 -0.52 1 63 ASP 1.39 0.00 1 64 ALA 2.74 -0.38 1 65 VAL 4.50 -0.37 1 66 GLN 2.35 -0.19 1 67 TYR 1.37 -0.36 1 68 VAL -2.65 0.32 1 69 ASN -2.45 0.10 1 70 SER -4.10 0.24 1 71 ASN 4.29 -0.46 1 72 GLU 4.42 -0.38 1 73 LEU 2.28 -0.23 1 76 THR 7.43 -0.48 1 77 LEU 4.84 -0.38 1 78 ILE 5.32 -0.68 1 79 SER 4.79 -0.43 1 80 LEU 2.89 -0.37 1 81 GLU 2.28 -0.48 1 82 GLN 0.98 -0.31 1 83 TYR 0.28 -0.26 1 84 ASN -3.55 -0.27 1 85 LEU 1.47 -0.55 1 86 ASN 2.30 -0.28 1 87 ASP 1.12 -0.17 1 88 GLU -2.39 0.03 1 90 TYR -0.01 -0.07 1 91 GLU 1.21 -0.28 1 92 ASN -0.65 -0.58 1 93 GLU 3.89 -0.76 1 94 ILE 3.03 -0.52 1 95 ASP 3.88 -0.41 1 96 ASP 3.50 -0.34 1 97 TYR 6.24 -0.25 1 98 VAL 4.03 -0.46 1 99 ASN 4.79 -0.52 1 100 VAL 3.73 -0.64 1 101 ILE 1.39 -0.21 1 102 ASN 1.75 -0.34 1 103 GLU 1.43 -0.05 1 104 LYS -0.32 -0.05 1 106 GLN -0.82 -0.02 1 107 GLU -3.60 0.07 1 108 THR 4.01 -0.39 1 109 ILE 4.42 -0.32 1 110 GLU 4.49 -0.30 1 111 SER 2.50 -0.57 1 112 LEU 3.80 -0.48 1 113 ASN 5.42 -0.35 1 114 HIS 7.04 -0.70 1 115 LYS 3.87 -0.30 1 116 LEU 5.28 -0.43 1 117 ARG 2.68 -0.22 1 118 GLU 3.16 -0.17 1 119 ALA 5.68 -0.42 1 120 THR 4.27 -0.39 1 121 ARG 0.87 0.08 1 122 ILE -1.09 -0.19 1 124 ASP 4.54 -0.09 1 125 VAL 3.82 -0.35 1 126 GLU 2.11 -0.30 1 127 LEU 4.65 -0.55 1 128 GLN 4.46 -0.47 1 129 LYS 3.93 -0.46 1 130 TYR 5.38 -0.47 1 131 TYR 4.32 -0.33 1 132 LEU 4.52 -0.43 1 133 GLN 2.27 -0.46 1 134 GLN 4.98 -0.80 1 135 ILE 5.11 -0.50 1 136 VAL 2.95 -0.29 1 137 ALA 2.41 -0.24 1 138 LYS 1.57 -0.21 1 139 ASN 3.09 -0.16 1 140 LYS 0.26 -0.18 1 141 GLU 0.21 -0.04 1 142 ARG 0.79 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17512_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.15 _LACS_plot.Line_1_terminator_val_y_1 -4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.07 _LACS_plot.Line_2_terminator_val_x_2 8.21 _LACS_plot.Line_2_terminator_val_y_2 0.46 _LACS_plot.Y_axis_chem_shift_offset 2.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 VAL 8.22 -4.91 0 56 ASN -5.02 0.92 0 10 ALA 3.38 -2.02 1 11 GLU 2.77 -1.70 1 12 ARG 3.80 -2.62 1 13 ALA 4.87 -1.39 1 14 PHE 2.81 -1.66 1 15 LEU 3.82 -1.90 1 19 MET 1.14 -3.63 1 20 ARG 3.12 -2.27 1 21 ASP -2.60 -4.72 1 22 LYS 3.39 -1.82 1 23 ASP 4.41 0.31 1 24 THR 7.82 -0.98 1 25 PHE 6.19 -1.62 1 26 LEU 3.64 -0.74 1 27 ASN 0.93 -1.36 1 28 TYR -0.23 -0.15 1 29 TYR 6.87 -2.78 1 30 GLU 0.50 -1.84 1 31 SER 2.35 -3.82 1 32 VAL -5.15 -5.77 1 33 ASP -3.22 -1.36 1 34 LYS 4.46 -2.73 1 35 ASP 2.88 -4.96 1 36 ASN 0.84 -2.12 1 38 THR 1.78 -1.80 1 39 ASN -1.03 -2.08 1 40 GLN 3.55 -1.35 1 41 HIS 2.74 1.74 1 42 PHE 2.62 -1.15 1 43 LYS 4.34 -0.40 1 44 TYR 2.78 0.71 1 46 PHE 4.50 -0.45 1 47 GLU 3.40 0.40 1 48 VAL 4.98 -0.90 1 49 LEU 3.33 -2.27 1 50 HIS 5.69 0.40 1 51 ASP 3.55 -1.15 1 52 PHE 4.14 0.59 1 53 TYR 2.86 -2.04 1 54 ALA 2.89 -1.18 1 55 GLU -3.75 -4.94 1 57 ASP 0.18 -3.52 1 58 GLN -3.15 -4.08 1 59 TYR 3.49 -3.54 1 60 ASN -3.40 -3.21 1 61 ILE 2.78 -4.40 1 62 SER 4.82 -0.87 1 63 ASP 1.39 -0.60 1 64 ALA 2.74 -0.82 1 65 VAL 4.50 -1.74 1 66 GLN 2.35 -2.11 1 67 TYR 1.37 -3.13 1 69 ASN -2.45 -3.01 1 71 ASN 4.29 -0.67 1 72 GLU 4.42 0.02 1 75 GLU 3.91 0.51 1 76 THR 7.43 -0.74 1 77 LEU 4.84 -0.38 1 78 ILE 5.32 -0.73 1 79 SER 4.79 0.93 1 81 GLU 2.28 -1.81 1 82 GLN 0.98 -2.83 1 83 TYR 0.28 -5.63 1 84 ASN -3.55 -3.26 1 85 LEU 1.47 -2.11 1 86 ASN 2.30 -2.67 1 87 ASP 1.12 -2.16 1 90 TYR -0.01 -2.83 1 91 GLU 1.21 -3.20 1 92 ASN -0.65 -0.54 1 93 GLU 3.89 -1.95 1 94 ILE 3.03 -1.58 1 95 ASP 3.88 -0.23 1 96 ASP 3.50 -0.90 1 97 TYR 6.24 -2.15 1 98 VAL 4.03 -1.47 1 99 ASN 4.79 -0.22 1 100 VAL 3.73 -1.68 1 101 ILE 1.39 -0.81 1 102 ASN 1.75 -1.58 1 103 GLU 1.43 -1.79 1 104 LYS -0.32 -2.53 1 106 GLN -0.82 -2.64 1 107 GLU -3.60 -2.07 1 108 THR 4.01 -1.50 1 109 ILE 4.42 -0.06 1 110 GLU 4.49 0.37 1 111 SER 2.50 -1.45 1 112 LEU 3.80 0.87 1 113 ASN 5.42 1.16 1 114 HIS 7.04 0.25 1 115 LYS 3.87 -0.94 1 116 LEU 5.28 0.73 1 117 ARG 2.68 -1.37 1 118 GLU 3.16 -0.82 1 119 ALA 5.68 -0.72 1 120 THR 4.27 -0.41 1 121 ARG 0.87 -2.13 1 122 ILE -1.09 -3.18 1 124 ASP 4.54 -0.91 1 125 VAL 3.82 0.59 1 126 GLU 2.11 -1.52 1 127 LEU 4.65 -1.08 1 128 GLN 4.46 -0.61 1 129 LYS 3.93 0.59 1 130 TYR 5.38 -0.30 1 131 TYR 4.32 -1.18 1 132 LEU 4.52 0.43 1 133 GLN 2.27 -0.28 1 134 GLN 4.98 -1.25 1 135 ILE 5.11 -0.23 1 136 VAL 2.95 -0.49 1 137 ALA 2.41 -0.96 1 138 LYS 1.57 -1.50 1 139 ASN 3.09 -2.20 1 140 LYS 0.26 -1.58 1 141 GLU 0.21 -3.70 1 stop_ save_