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 bmr6054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _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 7.84 _LACS_plot.Line_2_terminator_val_y_2 5.94 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 HIS 5.12 6.93 0 95 GLU 1.03 -2.52 0 111 MET -7.44 -0.56 0 33 THR 7.81 1.39 0 10 ASP 3.96 3.42 1 11 GLN 3.88 3.33 1 12 ARG 5.37 3.73 1 13 TRP 0.56 1.48 1 14 GLN 4.76 3.37 1 15 SER 5.61 5.11 1 16 VAL 5.62 3.91 1 17 LEU 3.10 2.14 1 18 ALA -0.52 -0.36 1 19 ARG 3.54 0.31 1 20 ASP -1.71 -0.48 1 22 ASN 2.94 2.15 1 23 ALA -0.88 -0.65 1 24 ASP 4.06 2.42 1 26 GLU 0.57 1.47 1 27 PHE -0.98 -1.42 1 28 VAL -5.06 -2.61 1 29 PHE -7.09 -2.97 1 30 ALA -4.60 -2.65 1 31 VAL 0.50 -0.44 1 32 ARG 4.44 4.21 1 34 THR -0.47 -0.24 1 36 ILE -5.71 -2.50 1 37 PHE -5.42 -2.66 1 39 ARG -0.03 0.23 1 41 SER 2.56 0.58 1 43 ARG 1.77 1.67 1 44 ALA -0.16 0.51 1 45 ARG 1.41 0.93 1 46 HIS -0.50 1.47 1 47 ALA -4.35 -1.68 1 48 LEU -0.46 -0.30 1 49 ARG 4.12 2.36 1 50 GLU 2.69 1.63 1 51 ASN -2.09 -0.36 1 52 VAL -3.10 -1.26 1 53 SER -4.64 -1.86 1 54 PHE -2.51 -0.12 1 55 TYR -5.30 -0.65 1 56 ALA 1.54 2.51 1 57 ASN -3.07 -1.60 1 58 ALA 2.17 2.22 1 59 SER 5.63 4.10 1 60 GLU 1.63 2.43 1 61 ALA 4.34 2.00 1 62 LEU 1.97 2.17 1 63 ALA 2.86 1.96 1 64 ALA -0.50 -0.40 1 66 PHE -1.47 0.50 1 67 ARG -2.23 -1.20 1 70 LYS 1.86 1.39 1 71 ARG 1.49 1.79 1 73 GLN 3.06 2.42 1 75 GLU 0.75 0.38 1 76 LYS -0.48 -0.26 1 77 ALA 0.19 0.43 1 78 ASN 0.11 0.30 1 79 ALA 0.54 0.76 1 80 GLN 1.45 1.14 1 81 GLN 1.58 1.21 1 82 HIS 1.17 1.50 1 83 ARG 2.31 1.98 1 84 LEU 1.76 1.13 1 85 ASP 2.47 2.04 1 86 LYS 3.45 3.71 1 87 ILE 4.60 0.35 1 88 THR 7.84 5.86 1 89 HIS 2.12 2.75 1 90 ALA 4.21 2.96 1 92 ARG 3.08 3.22 1 93 LEU 2.29 1.82 1 94 LEU -1.52 0.16 1 96 GLN -2.30 -0.90 1 97 GLU 1.58 2.64 1 98 THR 1.43 1.03 1 100 VAL -2.61 -1.24 1 101 THR -1.75 -0.85 1 102 LEU 3.76 2.80 1 103 GLU 5.59 4.54 1 104 ALA 2.40 2.14 1 105 LEU 2.17 2.47 1 106 ALA 4.16 2.95 1 107 ASP 2.89 2.92 1 108 GLN 2.57 3.17 1 109 VAL -0.31 -1.44 1 110 ALA 2.94 0.43 1 112 SER 0.27 0.02 1 114 PHE 3.63 3.11 1 115 HIS 1.49 3.36 1 116 LEU 4.39 3.13 1 118 ARG 3.47 3.22 1 119 LEU 2.36 2.36 1 120 PHE 4.10 4.71 1 121 LYS 3.23 2.53 1 122 ALA 2.73 2.42 1 123 THR 4.30 4.00 1 124 THR -0.91 1.07 1 126 MET -6.41 -1.05 1 127 THR 2.04 0.53 1 129 LYS 3.73 3.29 1 130 ALA 2.31 2.46 1 132 GLN 2.75 3.19 1 133 GLN 4.44 3.45 1 134 ALA 4.01 2.37 1 135 TRP 5.91 4.70 1 136 ARG 4.09 3.83 1 137 ALA 2.97 2.02 1 138 ARG 3.58 2.64 1 139 ARG 2.91 1.50 1 140 LEU 2.10 1.74 1 141 ARG 2.36 1.98 1 142 GLU 0.85 1.11 1 143 SER 1.24 1.04 1 144 LEU 0.14 0.24 1 145 ALA -0.11 0.14 1 146 LYS 0.60 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 4.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.75 _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 7.84 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 HIS 5.12 1.81 0 95 GLU 1.03 -3.55 0 111 MET -7.44 6.88 0 33 THR 7.81 -6.42 0 10 ASP 3.96 -0.54 1 11 GLN 3.88 -0.55 1 12 ARG 5.37 -1.64 1 13 TRP 0.56 0.92 1 14 GLN 4.76 -1.39 1 15 SER 5.61 -0.50 1 16 VAL 5.62 -1.71 1 17 LEU 3.10 -0.96 1 18 ALA -0.52 0.16 1 19 ARG 3.54 -3.23 1 20 ASP -1.71 1.23 1 22 ASN 2.94 -0.79 1 23 ALA -0.88 0.23 1 24 ASP 4.06 -1.64 1 26 GLU 0.57 0.90 1 27 PHE -0.98 -0.44 1 28 VAL -5.06 2.45 1 29 PHE -7.09 4.12 1 30 ALA -4.60 1.95 1 31 VAL 0.50 -0.94 1 32 ARG 4.44 -0.23 1 34 THR -0.47 0.23 1 36 ILE -5.71 3.21 1 37 PHE -5.42 2.76 1 39 ARG -0.03 0.26 1 41 SER 2.56 -1.98 1 43 ARG 1.77 -0.10 1 44 ALA -0.16 0.67 1 45 ARG 1.41 -0.48 1 46 HIS -0.50 1.97 1 47 ALA -4.35 2.67 1 48 LEU -0.46 0.16 1 49 ARG 4.12 -1.76 1 50 GLU 2.69 -1.06 1 51 ASN -2.09 1.73 1 52 VAL -3.10 1.84 1 53 SER -4.64 2.78 1 54 PHE -2.51 2.39 1 55 TYR -5.30 4.65 1 56 ALA 1.54 0.97 1 57 ASN -3.07 1.47 1 58 ALA 2.17 0.05 1 59 SER 5.63 -1.53 1 60 GLU 1.63 0.80 1 61 ALA 4.34 -2.34 1 62 LEU 1.97 0.20 1 63 ALA 2.86 -0.90 1 64 ALA -0.50 0.10 1 66 PHE -1.47 1.97 1 67 ARG -2.23 1.03 1 70 LYS 1.86 -0.47 1 71 ARG 1.49 0.30 1 73 GLN 3.06 -0.64 1 75 GLU 0.75 -0.37 1 76 LYS -0.48 0.22 1 77 ALA 0.19 0.24 1 78 ASN 0.11 0.19 1 79 ALA 0.54 0.22 1 80 GLN 1.45 -0.31 1 81 GLN 1.58 -0.37 1 82 HIS 1.17 0.33 1 83 ARG 2.31 -0.33 1 84 LEU 1.76 -0.63 1 85 ASP 2.47 -0.43 1 86 LYS 3.45 0.26 1 87 ILE 4.60 -4.25 1 88 THR 7.84 -1.98 1 89 HIS 2.12 0.63 1 90 ALA 4.21 -1.25 1 92 ARG 3.08 0.14 1 93 LEU 2.29 -0.47 1 94 LEU -1.52 1.68 1 96 GLN -2.30 1.40 1 97 GLU 1.58 1.06 1 98 THR 1.43 -0.40 1 100 VAL -2.61 1.37 1 101 THR -1.75 0.90 1 102 LEU 3.76 -0.96 1 103 GLU 5.59 -1.05 1 104 ALA 2.40 -0.26 1 105 LEU 2.17 0.30 1 106 ALA 4.16 -1.21 1 107 ASP 2.89 0.03 1 108 GLN 2.57 0.60 1 109 VAL -0.31 -1.13 1 110 ALA 2.94 -2.51 1 112 SER 0.27 -0.25 1 114 PHE 3.63 -0.52 1 115 HIS 1.49 1.87 1 116 LEU 4.39 -1.26 1 118 ARG 3.47 -0.25 1 119 LEU 2.36 0.00 1 120 PHE 4.10 0.61 1 121 LYS 3.23 -0.70 1 122 ALA 2.73 -0.31 1 123 THR 4.30 -0.30 1 124 THR -0.91 1.98 1 126 MET -6.41 5.36 1 127 THR 2.04 -1.51 1 129 LYS 3.73 -0.44 1 130 ALA 2.31 0.15 1 132 GLN 2.75 0.44 1 133 GLN 4.44 -0.99 1 134 ALA 4.01 -1.64 1 135 TRP 5.91 -1.21 1 136 ARG 4.09 -0.26 1 137 ALA 2.97 -0.95 1 138 ARG 3.58 -0.94 1 139 ARG 2.91 -1.41 1 140 LEU 2.10 -0.36 1 141 ARG 2.36 -0.38 1 142 GLU 0.85 0.26 1 143 SER 1.24 -0.20 1 144 LEU 0.14 0.10 1 145 ALA -0.11 0.25 1 146 LYS 0.60 0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 0.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.84 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ALA 4.34 -1.56 0 49 ARG 4.12 -1.65 0 36 ILE -5.71 1.74 0 10 ASP 3.96 -0.15 1 11 GLN 3.88 -0.31 1 12 ARG 5.37 -0.77 1 13 TRP 0.56 0.02 1 14 GLN 4.76 -0.60 1 15 SER 5.61 -0.11 1 16 VAL 5.62 -0.38 1 17 LEU 3.10 -1.13 1 18 ALA -0.52 -0.12 1 19 ARG 3.54 -0.12 1 20 ASP -1.71 -0.32 1 22 ASN 2.94 -0.20 1 23 ALA -0.88 0.13 1 24 ASP 4.06 -0.20 1 26 GLU 0.57 0.12 1 27 PHE -0.98 0.51 1 28 VAL -5.06 0.99 1 29 PHE -7.09 1.43 1 30 ALA -4.60 0.61 1 31 VAL 0.50 0.49 1 32 ARG 4.44 -0.06 1 33 THR 7.81 -0.13 1 34 THR -0.47 0.23 1 37 PHE -5.42 1.15 1 39 ARG -0.03 0.35 1 41 SER 2.56 -0.74 1 43 ARG 1.77 -0.36 1 44 ALA -0.16 -0.08 1 45 ARG 1.41 -0.41 1 46 HIS -0.50 -0.20 1 47 ALA -4.35 0.29 1 48 LEU -0.46 0.16 1 50 GLU 2.69 -0.22 1 51 ASN -2.09 0.39 1 52 VAL -3.10 1.27 1 53 SER -4.64 0.03 1 54 PHE -2.51 0.74 1 55 TYR -5.30 0.23 1 56 ALA 1.54 0.03 1 57 ASN -3.07 -0.18 1 58 ALA 2.17 -0.79 1 59 SER 5.63 -0.37 1 60 GLU 1.63 -0.32 1 62 LEU 1.97 0.15 1 63 ALA 2.86 -0.20 1 64 ALA -0.50 0.06 1 66 PHE -1.47 -0.02 1 67 ARG -2.23 0.43 1 70 LYS 1.86 -0.12 1 71 ARG 1.49 0.00 1 73 GLN 3.06 -0.16 1 75 GLU 0.75 -0.03 1 76 LYS -0.48 0.08 1 77 ALA 0.19 0.04 1 78 ASN 0.11 -0.01 1 79 ALA 0.54 0.01 1 80 GLN 1.45 -0.06 1 81 GLN 1.58 -0.16 1 82 HIS 1.17 -0.03 1 83 ARG 2.31 -0.12 1 84 LEU 1.76 -0.11 1 85 ASP 2.47 -0.14 1 86 LYS 3.45 -0.12 1 87 ILE 4.60 -0.29 1 88 THR 7.84 -0.65 1 89 HIS 2.12 -0.32 1 90 ALA 4.21 -0.49 1 92 ARG 3.08 -0.31 1 93 LEU 2.29 -0.39 1 94 LEU -1.52 -0.22 1 95 GLU 1.03 -0.31 1 96 GLN -2.30 -0.04 1 97 GLU 1.58 -0.06 1 98 THR 1.43 -0.12 1 100 VAL -2.61 0.23 1 101 THR -1.75 0.06 1 102 LEU 3.76 -0.38 1 103 GLU 5.59 -0.55 1 104 ALA 2.40 -0.08 1 105 LEU 2.17 -0.53 1 106 ALA 4.16 -0.48 1 107 ASP 2.89 -0.14 1 108 GLN 2.57 -0.21 1 109 VAL -0.31 0.35 1 110 ALA 2.94 -0.16 1 111 MET -7.44 0.34 1 112 SER 0.27 0.08 1 114 PHE 3.63 -0.26 1 115 HIS 1.49 -0.27 1 116 LEU 4.39 -0.19 1 117 HIS 5.12 -0.96 1 118 ARG 3.47 -0.31 1 119 LEU 2.36 -0.04 1 120 PHE 4.10 -0.91 1 121 LYS 3.23 0.17 1 122 ALA 2.73 -0.17 1 123 THR 4.30 -0.29 1 124 THR -0.91 0.06 1 126 MET -6.41 0.61 1 127 THR 2.04 -0.20 1 129 LYS 3.73 -0.04 1 130 ALA 2.31 -0.02 1 132 GLN 2.75 -0.28 1 133 GLN 4.44 -0.18 1 134 ALA 4.01 -0.14 1 135 TRP 5.91 -0.77 1 136 ARG 4.09 -0.85 1 137 ALA 2.97 -0.20 1 138 ARG 3.58 -0.38 1 139 ARG 2.91 -0.46 1 140 LEU 2.10 -0.18 1 141 ARG 2.36 -0.18 1 142 GLU 0.85 -0.15 1 143 SER 1.24 -0.05 1 144 LEU 0.14 0.04 1 145 ALA -0.11 0.05 1 146 LYS 0.60 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.44 _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 0.89 _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 7.84 _LACS_plot.Line_2_terminator_val_y_2 3.05 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 ALA 2.40 -7.51 0 10 ASP 3.96 2.76 1 11 GLN 3.88 3.44 1 12 ARG 5.37 1.74 1 13 TRP 0.56 1.00 1 14 GLN 4.76 3.46 1 15 SER 5.61 0.45 1 16 VAL 5.62 2.93 1 17 LEU 3.10 1.87 1 18 ALA -0.52 -1.70 1 19 ARG 3.54 -0.34 1 22 ASN 2.94 0.66 1 23 ALA -0.88 -0.50 1 24 ASP 4.06 1.54 1 26 GLU 0.57 -0.59 1 27 PHE -0.98 -1.85 1 28 VAL -5.06 -1.64 1 29 PHE -7.09 -4.39 1 30 ALA -4.60 -2.37 1 31 VAL 0.50 1.29 1 32 ARG 4.44 1.63 1 33 THR 7.81 1.79 1 34 THR -0.47 1.72 1 36 ILE -5.71 -1.23 1 37 PHE -5.42 -2.58 1 41 SER 2.56 -0.68 1 43 ARG 1.77 -0.56 1 44 ALA -0.16 0.27 1 45 ARG 1.41 0.90 1 46 HIS -0.50 3.10 1 47 ALA -4.35 -1.54 1 48 LEU -0.46 1.12 1 49 ARG 4.12 2.01 1 50 GLU 2.69 -0.08 1 51 ASN -2.09 -1.55 1 52 VAL -3.10 -1.11 1 53 SER -4.64 -2.67 1 54 PHE -2.51 -1.65 1 55 TYR -5.30 -0.59 1 56 ALA 1.54 -0.26 1 57 ASN -3.07 -0.81 1 58 ALA 2.17 0.01 1 59 SER 5.63 2.90 1 60 GLU 1.63 2.07 1 61 ALA 4.34 1.29 1 62 LEU 1.97 -6.07 1 63 ALA 2.86 0.21 1 64 ALA -0.50 -0.94 1 66 PHE -1.47 -1.31 1 70 LYS 1.86 0.54 1 71 ARG 1.49 1.21 1 73 GLN 3.06 1.69 1 75 GLU 0.75 -0.51 1 76 LYS -0.48 -0.42 1 77 ALA 0.19 -0.20 1 78 ASN 0.11 0.05 1 79 ALA 0.54 0.50 1 80 GLN 1.45 0.75 1 81 GLN 1.58 0.35 1 82 HIS 1.17 1.43 1 83 ARG 2.31 0.65 1 84 LEU 1.76 1.06 1 85 ASP 2.47 1.87 1 86 LYS 3.45 1.57 1 87 ILE 4.60 -0.05 1 88 THR 7.84 1.62 1 89 HIS 2.12 2.76 1 90 ALA 4.21 0.57 1 93 LEU 2.29 0.14 1 94 LEU -1.52 -1.05 1 96 GLN -2.30 -1.06 1 97 GLU 1.58 1.06 1 100 VAL -2.61 -0.23 1 101 THR -1.75 0.21 1 102 LEU 3.76 0.73 1 103 GLU 5.59 1.92 1 105 LEU 2.17 0.46 1 106 ALA 4.16 1.73 1 107 ASP 2.89 2.98 1 108 GLN 2.57 2.06 1 109 VAL -0.31 -1.95 1 110 ALA 2.94 -1.88 1 111 MET -7.44 -1.59 1 114 PHE 3.63 2.18 1 115 HIS 1.49 3.99 1 116 LEU 4.39 0.01 1 117 HIS 5.12 2.79 1 118 ARG 3.47 3.16 1 119 LEU 2.36 2.10 1 120 PHE 4.10 3.19 1 121 LYS 3.23 3.14 1 122 ALA 2.73 1.47 1 123 THR 4.30 0.82 1 124 THR -0.91 1.58 1 126 MET -6.41 -2.85 1 129 LYS 3.73 2.54 1 130 ALA 2.31 -1.53 1 133 GLN 4.44 2.83 1 134 ALA 4.01 1.94 1 135 TRP 5.91 2.26 1 136 ARG 4.09 2.61 1 137 ALA 2.97 -3.49 1 138 ARG 3.58 1.54 1 139 ARG 2.91 2.12 1 140 LEU 2.10 1.09 1 141 ARG 2.36 1.76 1 142 GLU 0.85 0.95 1 143 SER 1.24 0.18 1 144 LEU 0.14 -0.56 1 145 ALA -0.11 -1.23 1 stop_ save_