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 bmr34226_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 9.53 _LACS_plot.Line_2_terminator_val_y_2 7.05 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 HIS 1.17 4.76 0 83 GLU -1.69 2.83 0 10 ILE 5.65 4.60 1 11 ALA 4.12 2.41 1 12 GLU 2.71 2.11 1 13 PHE 3.47 0.38 1 14 LYS 3.96 3.20 1 15 GLU 2.72 2.33 1 16 ALA 1.35 1.85 1 17 PHE 5.89 4.48 1 18 SER 2.67 2.79 1 19 LEU 3.66 1.92 1 20 PHE 1.30 1.64 1 21 ASP -0.50 -2.12 1 22 LYS 2.71 1.74 1 23 ASP -0.19 -1.78 1 25 ASP -0.36 -1.07 1 27 THR -5.26 -2.79 1 28 ILE -1.81 -0.70 1 29 THR -5.85 -2.77 1 30 THR 5.60 3.92 1 31 LYS 2.91 2.40 1 32 GLU 2.30 2.16 1 33 LEU 3.31 2.66 1 35 THR 5.48 4.86 1 36 VAL 4.48 3.85 1 37 MET 5.44 4.18 1 38 ARG 3.48 3.01 1 39 SER 2.64 2.86 1 40 LEU -0.23 -1.27 1 42 GLN -3.84 -2.81 1 43 ASN -1.37 -0.62 1 45 THR -4.13 -1.84 1 46 GLU 3.47 2.70 1 47 ALA 2.42 1.98 1 48 GLU 1.87 2.02 1 49 LEU 2.61 2.30 1 50 GLN 2.88 2.24 1 51 ASP 4.06 3.04 1 52 MET 2.94 4.80 1 53 ILE 4.56 3.11 1 54 ASN 2.33 2.25 1 55 GLU -0.46 0.22 1 56 VAL -2.50 -1.94 1 57 ASP -0.08 -1.65 1 58 ALA 0.38 1.41 1 59 ASP -0.81 -1.83 1 61 ASN 0.48 -0.88 1 63 THR -5.34 -3.00 1 64 ILE -3.18 -1.69 1 65 ASP -3.77 -2.60 1 66 PHE 9.54 6.73 1 68 GLU 1.16 1.85 1 69 PHE 2.49 3.41 1 70 LEU 3.90 2.44 1 71 THR 6.26 4.63 1 72 MET 4.31 3.05 1 73 MET 1.70 -0.88 1 74 ALA -0.91 -0.05 1 75 ARG 1.39 0.92 1 76 LYS 0.59 -0.09 1 77 MET 0.42 0.89 1 78 LYS -0.01 0.62 1 79 ASP -0.18 -0.14 1 80 THR 0.21 0.58 1 81 ASP -0.26 0.20 1 82 SER 1.42 2.60 1 84 GLU 3.41 3.54 1 85 GLU 3.24 3.44 1 86 ILE 4.72 3.84 1 87 ARG 5.13 4.93 1 88 GLU 2.07 1.78 1 89 ALA 3.65 2.33 1 90 PHE 3.29 4.71 1 91 ARG 3.51 2.63 1 92 VAL 4.65 2.95 1 93 PHE -0.18 0.03 1 94 ASP -2.19 -2.32 1 95 LYS 2.62 2.29 1 96 ASP -0.11 0.52 1 98 ASN -0.26 -0.26 1 100 TYR -6.08 -2.46 1 101 ILE -5.60 -1.35 1 102 SER -1.46 -0.20 1 103 ALA 3.57 2.58 1 104 ALA 2.44 2.13 1 105 GLU 2.14 1.65 1 106 LEU 2.93 2.07 1 107 ARG 4.76 3.90 1 109 VAL 4.26 3.31 1 110 MET -3.17 0.47 1 111 THR 1.49 -0.03 1 112 ASN 1.49 1.30 1 113 LEU -4.42 -2.44 1 115 GLU -0.11 -0.66 1 116 LYS 3.87 2.39 1 117 LEU -1.48 -1.89 1 118 THR -3.02 -1.42 1 119 ASP 3.52 3.56 1 120 GLU 4.82 3.10 1 121 GLU -0.74 1.74 1 122 VAL 5.95 3.78 1 123 ASP 3.10 2.90 1 124 GLU 3.17 3.48 1 125 MET 3.25 3.42 1 126 ILE 5.82 2.64 1 127 ARG 2.87 2.74 1 128 GLU -0.10 0.58 1 129 ALA -1.01 -0.26 1 130 ASP 0.35 -0.68 1 131 ILE -1.68 -1.21 1 132 ASP -2.15 -1.24 1 134 ASP -1.39 -0.87 1 136 GLN -4.16 -2.28 1 137 VAL -3.03 -1.67 1 138 ASN -0.27 -1.88 1 139 TYR 5.20 3.74 1 140 GLU 4.21 2.78 1 141 GLU 2.57 2.00 1 142 PHE 2.04 2.53 1 143 VAL 5.49 4.38 1 144 GLN 4.10 2.70 1 145 MET 3.99 3.34 1 146 MET 2.54 3.23 1 147 THR 0.16 0.23 1 148 ALA -0.61 0.53 1 149 LYS -0.33 0.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34226_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.88 _LACS_plot.Line_2_terminator_val_x_2 9.53 _LACS_plot.Line_2_terminator_val_y_2 -2.48 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 HIS 1.17 3.59 0 83 GLU -1.69 4.52 0 10 ILE 5.65 -1.05 1 11 ALA 4.12 -1.71 1 12 GLU 2.71 -0.60 1 13 PHE 3.47 -3.09 1 14 LYS 3.96 -0.76 1 15 GLU 2.72 -0.39 1 16 ALA 1.35 0.50 1 17 PHE 5.89 -1.41 1 18 SER 2.67 0.12 1 19 LEU 3.66 -1.74 1 20 PHE 1.30 0.34 1 21 ASP -0.50 -1.62 1 22 LYS 2.71 -0.97 1 23 ASP -0.19 -1.59 1 25 ASP -0.36 -0.71 1 27 THR -5.26 2.47 1 28 ILE -1.81 1.11 1 29 THR -5.85 3.08 1 30 THR 5.60 -1.68 1 31 LYS 2.91 -0.51 1 32 GLU 2.30 -0.14 1 33 LEU 3.31 -0.65 1 35 THR 5.48 -0.62 1 36 VAL 4.48 -0.63 1 37 MET 5.44 -1.26 1 38 ARG 3.48 -0.47 1 39 SER 2.64 0.22 1 40 LEU -0.23 -1.04 1 42 GLN -3.84 1.03 1 43 ASN -1.37 0.75 1 45 THR -4.13 2.29 1 46 GLU 3.47 -0.77 1 47 ALA 2.42 -0.44 1 48 GLU 1.87 0.15 1 49 LEU 2.61 -0.31 1 50 GLN 2.88 -0.64 1 51 ASP 4.06 -1.02 1 52 MET 2.94 1.86 1 53 ILE 4.56 -1.45 1 54 ASN 2.33 -0.08 1 55 GLU -0.46 0.68 1 56 VAL -2.50 0.56 1 57 ASP -0.08 -1.57 1 58 ALA 0.38 1.03 1 59 ASP -0.81 -1.02 1 61 ASN 0.48 -1.36 1 63 THR -5.34 2.34 1 64 ILE -3.18 1.49 1 65 ASP -3.77 1.17 1 66 PHE 9.54 -2.81 1 68 GLU 1.16 0.69 1 69 PHE 2.49 0.92 1 70 LEU 3.90 -1.46 1 71 THR 6.26 -1.63 1 72 MET 4.31 -1.26 1 73 MET 1.70 -2.58 1 74 ALA -0.91 0.86 1 75 ARG 1.39 -0.47 1 76 LYS 0.59 -0.68 1 77 MET 0.42 0.47 1 78 LYS -0.01 0.63 1 79 ASP -0.18 0.04 1 80 THR 0.21 0.37 1 81 ASP -0.26 0.46 1 82 SER 1.42 1.18 1 84 GLU 3.41 0.13 1 85 GLU 3.24 0.20 1 86 ILE 4.72 -0.88 1 87 ARG 5.13 -0.20 1 88 GLU 2.07 -0.29 1 89 ALA 3.65 -1.32 1 90 PHE 3.29 1.42 1 91 ARG 3.51 -0.88 1 92 VAL 4.65 -1.70 1 93 PHE -0.18 0.21 1 94 ASP -2.19 -0.13 1 95 LYS 2.62 -0.33 1 96 ASP -0.11 0.63 1 98 ASN -0.26 0.00 1 100 TYR -6.08 3.62 1 101 ILE -5.60 4.25 1 102 SER -1.46 1.26 1 103 ALA 3.57 -0.99 1 104 ALA 2.44 -0.31 1 105 GLU 2.14 -0.49 1 106 LEU 2.93 -0.86 1 107 ARG 4.76 -0.86 1 109 VAL 4.26 -0.95 1 110 MET -3.17 3.64 1 111 THR 1.49 -1.52 1 112 ASN 1.49 -0.19 1 113 LEU -4.42 1.98 1 115 GLU -0.11 -0.55 1 116 LYS 3.87 -1.48 1 117 LEU -1.48 -0.41 1 118 THR -3.02 1.60 1 119 ASP 3.52 0.04 1 120 GLU 4.82 -1.72 1 121 GLU -0.74 2.48 1 122 VAL 5.95 -2.17 1 123 ASP 3.10 -0.20 1 124 GLU 3.17 0.31 1 125 MET 3.25 0.17 1 126 ILE 5.82 -3.18 1 127 ARG 2.87 -0.13 1 128 GLU -0.10 0.68 1 129 ALA -1.01 0.75 1 130 ASP 0.35 -1.03 1 131 ILE -1.68 0.47 1 132 ASP -2.15 0.91 1 134 ASP -1.39 0.52 1 136 GLN -4.16 1.88 1 137 VAL -3.03 1.36 1 138 ASN -0.27 -1.61 1 139 TYR 5.20 -1.46 1 140 GLU 4.21 -1.43 1 141 GLU 2.57 -0.57 1 142 PHE 2.04 0.49 1 143 VAL 5.49 -1.11 1 144 GLN 4.10 -1.40 1 145 MET 3.99 -0.65 1 146 MET 2.54 0.69 1 147 THR 0.16 0.07 1 148 ALA -0.61 1.14 1 149 LYS -0.33 1.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34226_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 9.53 _LACS_plot.Line_2_terminator_val_y_2 -0.95 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ASN -0.27 0.80 0 27 THR -5.26 1.09 0 13 PHE 3.47 0.42 0 38 ARG 3.48 0.50 0 10 ILE 5.65 -0.55 1 11 ALA 4.12 -0.16 1 12 GLU 2.71 -0.16 1 14 LYS 3.96 -0.34 1 15 GLU 2.72 -0.22 1 16 ALA 1.35 -0.15 1 17 PHE 5.89 -1.29 1 18 SER 2.67 -0.34 1 19 LEU 3.66 -0.34 1 20 PHE 1.30 -0.55 1 21 ASP -0.50 -0.39 1 22 LYS 2.71 -0.28 1 23 ASP -0.19 -0.04 1 25 ASP -0.36 -0.09 1 28 ILE -1.81 -0.30 1 29 THR -5.85 0.56 1 30 THR 5.60 -0.53 1 31 LYS 2.91 -0.20 1 32 GLU 2.30 -0.17 1 33 LEU 3.31 -0.15 1 35 THR 5.48 -0.35 1 36 VAL 4.48 -0.46 1 37 MET 5.44 -0.52 1 39 SER 2.64 0.04 1 40 LEU -0.23 0.23 1 42 GLN -3.84 0.14 1 43 ASN -1.37 0.21 1 45 THR -4.13 0.13 1 46 GLU 3.47 -0.29 1 47 ALA 2.42 -0.23 1 48 GLU 1.87 -0.26 1 49 LEU 2.61 -0.17 1 50 GLN 2.88 -0.46 1 51 ASP 4.06 -0.59 1 52 MET 2.94 -0.39 1 53 ILE 4.56 -0.66 1 54 ASN 2.33 -0.33 1 55 GLU -0.46 -0.29 1 56 VAL -2.50 0.27 1 57 ASP -0.08 -0.18 1 58 ALA 0.38 -0.10 1 59 ASP -0.81 -0.02 1 61 ASN 0.48 -0.12 1 63 THR -5.34 0.53 1 64 ILE -3.18 0.68 1 65 ASP -3.77 0.89 1 66 PHE 9.54 -0.89 1 68 GLU 1.16 -0.32 1 69 PHE 2.49 -0.63 1 70 LEU 3.90 -0.86 1 71 THR 6.26 -0.59 1 72 MET 4.31 -0.46 1 73 MET 1.70 -0.57 1 74 ALA -0.91 -0.09 1 75 ARG 1.39 -0.07 1 76 LYS 0.59 -0.04 1 77 MET 0.42 -0.30 1 78 LYS -0.01 -0.02 1 79 ASP -0.18 0.01 1 80 THR 0.21 0.00 1 81 ASP -0.26 -0.01 1 82 SER 1.42 0.09 1 83 GLU -1.69 0.02 1 84 GLU 3.41 -0.35 1 85 GLU 3.24 -0.29 1 86 ILE 4.72 -0.34 1 87 ARG 5.13 -0.35 1 88 GLU 2.07 -0.29 1 89 ALA 3.65 -0.56 1 90 PHE 3.29 -0.81 1 91 ARG 3.51 -0.27 1 92 VAL 4.65 -0.79 1 93 PHE -0.18 -0.04 1 94 ASP -2.19 -0.04 1 95 LYS 2.62 -0.31 1 96 ASP -0.11 0.04 1 98 ASN -0.26 -0.06 1 100 TYR -6.08 0.98 1 101 ILE -5.60 0.63 1 102 SER -1.46 0.28 1 103 ALA 3.57 -0.34 1 104 ALA 2.44 -0.25 1 105 GLU 2.14 -0.06 1 106 LEU 2.93 -0.45 1 107 ARG 4.76 -0.57 1 108 HIS 1.17 -0.57 1 109 VAL 4.26 -0.47 1 110 MET -3.17 -0.37 1 111 THR 1.49 -0.21 1 112 ASN 1.49 -0.31 1 113 LEU -4.42 0.48 1 115 GLU -0.11 0.13 1 116 LYS 3.87 -0.57 1 117 LEU -1.48 0.24 1 118 THR -3.02 -0.22 1 119 ASP 3.52 -0.27 1 120 GLU 4.82 -0.22 1 121 GLU -0.74 -0.19 1 122 VAL 5.95 -0.29 1 123 ASP 3.10 -0.22 1 124 GLU 3.17 -0.11 1 125 MET 3.25 -0.64 1 126 ILE 5.82 -0.72 1 127 ARG 2.87 -0.22 1 128 GLU -0.10 -0.14 1 129 ALA -1.01 -0.52 1 130 ASP 0.35 -0.09 1 131 ILE -1.68 0.35 1 132 ASP -2.15 -0.08 1 134 ASP -1.39 0.12 1 136 GLN -4.16 0.68 1 137 VAL -3.03 0.69 1 139 TYR 5.20 -1.07 1 140 GLU 4.21 -0.29 1 141 GLU 2.57 -0.41 1 142 PHE 2.04 0.04 1 143 VAL 5.49 -0.93 1 144 GLN 4.10 -0.35 1 145 MET 3.99 -0.38 1 146 MET 2.54 -0.50 1 147 THR 0.16 0.03 1 148 ALA -0.61 0.05 1 149 LYS -0.33 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34226_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 -1.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _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 6.26 _LACS_plot.Line_2_terminator_val_y_2 2.20 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 THR -5.85 1.86 0 130 ASP 0.35 -4.07 0 10 ILE 5.65 1.13 1 11 ALA 4.12 2.96 1 12 GLU 2.71 3.17 1 13 PHE 3.47 2.62 1 14 LYS 3.96 2.02 1 15 GLU 2.72 2.65 1 16 ALA 1.35 0.52 1 17 PHE 5.89 1.50 1 18 SER 2.67 -0.43 1 19 LEU 3.66 0.58 1 20 PHE 1.30 1.35 1 21 ASP -0.50 0.45 1 22 LYS 2.71 1.29 1 23 ASP -0.19 1.07 1 25 ASP -0.36 0.77 1 27 THR -5.26 -1.83 1 28 ILE -1.81 -0.59 1 30 THR 5.60 2.22 1 31 LYS 2.91 3.16 1 32 GLU 2.30 2.99 1 33 LEU 3.31 0.80 1 35 THR 5.48 2.31 1 36 VAL 4.48 2.60 1 37 MET 5.44 2.13 1 38 ARG 3.48 4.74 1 39 SER 2.64 -0.50 1 40 LEU -0.23 -1.39 1 42 GLN -3.84 -2.25 1 43 ASN -1.37 -2.18 1 45 THR -4.13 0.12 1 46 GLU 3.47 1.98 1 47 ALA 2.42 1.61 1 48 GLU 1.87 2.63 1 49 LEU 2.61 0.81 1 50 GLN 2.88 2.01 1 51 ASP 4.06 2.18 1 52 MET 2.94 0.45 1 53 ILE 4.56 1.77 1 54 ASN 2.33 2.12 1 55 GLU -0.46 0.41 1 56 VAL -2.50 -1.54 1 57 ASP -0.08 -0.76 1 58 ALA 0.38 0.60 1 59 ASP -0.81 1.16 1 61 ASN 0.48 1.29 1 63 THR -5.34 -1.41 1 64 ILE -3.18 -0.82 1 65 ASP -3.77 -0.42 1 68 GLU 1.16 2.77 1 69 PHE 2.49 0.50 1 70 LEU 3.90 1.10 1 71 THR 6.26 1.72 1 72 MET 4.31 0.60 1 73 MET 1.70 1.29 1 74 ALA -0.91 -0.44 1 75 ARG 1.39 -0.80 1 76 LYS 0.59 0.83 1 77 MET 0.42 1.17 1 78 LYS -0.01 -0.46 1 79 ASP -0.18 0.36 1 80 THR 0.21 -0.61 1 81 ASP -0.26 -0.48 1 82 SER 1.42 -1.32 1 83 GLU -1.69 -2.28 1 84 GLU 3.41 0.23 1 85 GLU 3.24 1.90 1 86 ILE 4.72 1.12 1 87 ARG 5.13 1.64 1 88 GLU 2.07 1.53 1 89 ALA 3.65 0.71 1 90 PHE 3.29 2.60 1 91 ARG 3.51 2.26 1 92 VAL 4.65 2.26 1 93 PHE -0.18 -1.57 1 94 ASP -2.19 -0.79 1 95 LYS 2.62 0.79 1 96 ASP -0.11 -0.34 1 98 ASN -0.26 2.14 1 100 TYR -6.08 -1.11 1 101 ILE -5.60 -2.24 1 102 SER -1.46 2.87 1 103 ALA 3.57 -0.27 1 104 ALA 2.44 2.18 1 105 GLU 2.14 -1.38 1 106 LEU 2.93 -0.01 1 107 ARG 4.76 1.37 1 108 HIS 1.17 4.13 1 109 VAL 4.26 0.45 1 110 MET -3.17 1.37 1 111 THR 1.49 -0.28 1 112 ASN 1.49 -1.49 1 113 LEU -4.42 -0.90 1 115 GLU -0.11 -0.63 1 116 LYS 3.87 2.37 1 117 LEU -1.48 -0.31 1 118 THR -3.02 0.69 1 119 ASP 3.52 1.60 1 120 GLU 4.82 3.28 1 121 GLU -0.74 0.68 1 122 VAL 5.95 1.11 1 123 ASP 3.10 2.63 1 124 GLU 3.17 0.34 1 125 MET 3.25 1.10 1 126 ILE 5.82 1.25 1 127 ARG 2.87 -0.56 1 128 GLU -0.10 0.21 1 129 ALA -1.01 -0.40 1 131 ILE -1.68 -1.89 1 132 ASP -2.15 1.01 1 134 ASP -1.39 0.17 1 136 GLN -4.16 -2.03 1 137 VAL -3.03 -0.43 1 138 ASN -0.27 0.61 1 139 TYR 5.20 -0.45 1 140 GLU 4.21 1.99 1 141 GLU 2.57 2.40 1 142 PHE 2.04 2.67 1 143 VAL 5.49 1.61 1 144 GLN 4.10 1.67 1 145 MET 3.99 1.93 1 146 MET 2.54 0.59 1 147 THR 0.16 -0.26 1 148 ALA -0.61 -0.67 1 149 LYS -0.33 3.78 1 stop_ save_