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 bmr6726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _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 6.93 _LACS_plot.Line_2_terminator_val_y_2 5.49 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 MET 4.72 -0.17 0 115 HIS -8.55 -1.20 0 125 HIS -3.46 2.84 0 10 VAL -4.62 -1.29 1 11 THR 0.47 0.38 1 12 VAL -5.70 -4.24 1 13 LYS 2.21 -0.69 1 14 ALA -6.09 -1.52 1 15 ASP -1.69 -1.13 1 16 ARG 5.16 5.74 1 17 LYS 5.55 4.25 1 18 THR 6.84 4.83 1 19 ALA 4.66 3.83 1 20 PHE 3.43 3.70 1 21 LYS 4.19 3.88 1 22 THR 6.49 5.30 1 23 PHE 4.13 4.37 1 24 LEU 2.83 3.78 1 25 GLU 0.35 1.11 1 27 PHE 5.37 4.77 1 29 GLU -0.87 0.20 1 30 TRP -3.95 -1.75 1 31 TRP 2.08 1.54 1 33 ASN 3.12 3.67 1 34 ASN 1.89 0.00 1 35 PHE 0.77 -2.09 1 36 ARG -8.27 -3.14 1 37 THR 0.72 1.33 1 38 THR 0.40 -0.52 1 39 LYS -3.84 -1.08 1 40 VAL 3.91 2.83 1 42 ALA 0.67 1.20 1 44 LEU -6.15 -2.89 1 46 VAL -4.80 -2.51 1 47 ASP -3.99 -3.03 1 48 LYS 4.12 3.65 1 49 LYS 3.77 3.06 1 52 ARG -5.58 -0.79 1 53 TRP -4.85 -3.16 1 54 TYR -6.67 -2.71 1 55 GLU -8.10 -2.80 1 56 ILE -1.28 0.00 1 57 ASP -2.84 -1.57 1 58 GLU 2.68 2.46 1 59 GLN 0.26 0.02 1 61 GLU -0.43 -0.61 1 62 GLU -2.31 -1.57 1 63 HIS -2.25 0.03 1 64 THR 0.75 1.43 1 65 PHE -2.59 -1.99 1 67 LEU -3.70 -2.95 1 68 ILE 3.74 1.26 1 69 ARG 0.78 1.48 1 70 LYS -2.31 0.49 1 71 VAL -1.47 -0.09 1 72 ASP -1.89 -2.06 1 73 GLU -1.23 0.20 1 75 ASP -0.54 3.93 1 76 THR -4.04 0.15 1 77 LEU -6.36 -1.38 1 78 VAL -1.42 -0.45 1 79 ILE -3.26 -2.27 1 81 TRP -4.95 -1.53 1 82 ARG -0.88 1.22 1 83 LEU 0.09 -0.07 1 84 ASN -1.80 -2.62 1 86 PHE -1.44 -1.71 1 88 ARG -4.40 -2.96 1 89 ILE 1.96 1.82 1 90 ASP -4.33 -0.60 1 92 ASP -2.32 1.75 1 93 ASN -4.41 -0.10 1 94 SER -1.69 -0.13 1 95 SER -2.12 -0.44 1 96 GLU -5.34 0.71 1 97 PHE -6.68 -3.64 1 98 THR -2.08 -0.65 1 99 VAL -1.63 -1.65 1 100 THR -1.73 -0.69 1 101 PHE -1.25 -0.93 1 102 VAL -2.85 -0.65 1 103 ALA 1.35 1.27 1 104 ASP -1.65 -1.13 1 106 GLN -4.73 -0.88 1 107 LYS -1.04 -0.90 1 108 LYS -3.40 -0.23 1 109 THR -2.04 0.94 1 110 ARG -1.28 -0.34 1 111 VAL -0.35 -0.85 1 112 ASP -2.96 -1.48 1 113 VAL -1.78 -1.00 1 114 GLU -4.37 -1.31 1 116 THR -1.56 -2.05 1 117 HIS 4.08 2.17 1 118 PHE 5.80 4.38 1 119 ASP 3.37 1.59 1 120 ARG 4.17 2.95 1 121 MET 1.57 -1.98 1 124 LYS 2.92 2.35 1 126 ALA 4.16 5.19 1 127 LYS 4.01 3.41 1 128 ARG 3.34 3.30 1 129 VAL 5.08 3.95 1 130 ARG 6.66 4.15 1 131 ASN 3.98 2.41 1 134 ASP 2.93 3.42 1 135 LYS 1.58 1.26 1 137 TRP 6.93 7.16 1 139 THR 5.22 4.34 1 140 ILE 5.58 5.23 1 141 LEU 4.12 2.42 1 142 GLN 3.76 3.00 1 143 SER 4.61 4.03 1 144 PHE 4.42 2.88 1 145 GLN 4.02 4.03 1 146 ASP 3.81 3.13 1 147 LYS 3.54 1.30 1 148 ILE 4.08 0.99 1 149 ASP 3.01 2.56 1 150 GLU 2.00 2.10 1 151 GLU 1.47 1.43 1 153 ALA -0.12 0.12 1 154 LYS 0.57 0.36 1 155 LYS 0.77 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 5.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _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 6.93 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 MET 4.72 -4.89 0 115 HIS -8.55 7.35 0 125 HIS -3.46 6.30 0 10 VAL -4.62 3.33 1 11 THR 0.47 -0.09 1 12 VAL -5.70 1.46 1 13 LYS 2.21 -2.90 1 14 ALA -6.09 4.57 1 15 ASP -1.69 0.56 1 16 ARG 5.16 0.58 1 17 LYS 5.55 -1.30 1 18 THR 6.84 -2.01 1 19 ALA 4.66 -0.83 1 20 PHE 3.43 0.27 1 21 LYS 4.19 -0.31 1 22 THR 6.49 -1.19 1 23 PHE 4.13 0.24 1 24 LEU 2.83 0.95 1 25 GLU 0.35 0.76 1 27 PHE 5.37 -0.60 1 29 GLU -0.87 1.07 1 30 TRP -3.95 2.20 1 31 TRP 2.08 -0.54 1 33 ASN 3.12 0.55 1 34 ASN 1.89 -1.89 1 35 PHE 0.77 -2.86 1 36 ARG -8.27 5.13 1 37 THR 0.72 0.61 1 38 THR 0.40 -0.92 1 39 LYS -3.84 2.76 1 40 VAL 3.91 -1.08 1 42 ALA 0.67 0.53 1 44 LEU -6.15 3.26 1 46 VAL -4.80 2.29 1 47 ASP -3.99 0.96 1 48 LYS 4.12 -0.47 1 49 LYS 3.77 -0.71 1 52 ARG -5.58 4.79 1 53 TRP -4.85 1.69 1 54 TYR -6.67 3.96 1 55 GLU -8.10 5.30 1 56 ILE -1.28 1.28 1 57 ASP -2.84 1.27 1 58 GLU 2.68 -0.22 1 59 GLN 0.26 -0.24 1 61 GLU -0.43 -0.18 1 62 GLU -2.31 0.74 1 63 HIS -2.25 2.28 1 64 THR 0.75 0.68 1 65 PHE -2.59 0.60 1 67 LEU -3.70 0.75 1 68 ILE 3.74 -2.48 1 69 ARG 0.78 0.70 1 70 LYS -2.31 2.80 1 71 VAL -1.47 1.38 1 72 ASP -1.89 -0.17 1 73 GLU -1.23 1.43 1 75 ASP -0.54 4.47 1 76 THR -4.04 4.19 1 77 LEU -6.36 4.98 1 78 VAL -1.42 0.97 1 79 ILE -3.26 0.99 1 81 TRP -4.95 3.42 1 82 ARG -0.88 2.10 1 83 LEU 0.09 -0.16 1 84 ASN -1.80 -0.82 1 86 PHE -1.44 -0.27 1 88 ARG -4.40 1.44 1 89 ILE 1.96 -0.14 1 90 ASP -4.33 3.73 1 92 ASP -2.32 4.07 1 93 ASN -4.41 4.31 1 94 SER -1.69 1.56 1 95 SER -2.12 1.68 1 96 GLU -5.34 6.05 1 97 PHE -6.68 3.04 1 98 THR -2.08 1.43 1 99 VAL -1.63 -0.02 1 100 THR -1.73 1.04 1 101 PHE -1.25 0.32 1 102 VAL -2.85 2.20 1 103 ALA 1.35 -0.08 1 104 ASP -1.65 0.52 1 106 GLN -4.73 3.85 1 107 LYS -1.04 0.14 1 108 LYS -3.40 3.17 1 109 THR -2.04 2.98 1 110 ARG -1.28 0.94 1 111 VAL -0.35 -0.50 1 112 ASP -2.96 1.48 1 113 VAL -1.78 0.78 1 114 GLU -4.37 3.06 1 116 THR -1.56 -0.49 1 117 HIS 4.08 -1.91 1 118 PHE 5.80 -1.42 1 119 ASP 3.37 -1.78 1 120 ARG 4.17 -1.22 1 121 MET 1.57 -3.55 1 124 LYS 2.92 -0.57 1 126 ALA 4.16 1.03 1 127 LYS 4.01 -0.60 1 128 ARG 3.34 -0.04 1 129 VAL 5.08 -1.13 1 130 ARG 6.66 -2.51 1 131 ASN 3.98 -1.57 1 134 ASP 2.93 0.49 1 135 LYS 1.58 -0.32 1 137 TRP 6.93 0.23 1 139 THR 5.22 -0.88 1 140 ILE 5.58 -0.35 1 141 LEU 4.12 -1.70 1 142 GLN 3.76 -0.76 1 143 SER 4.61 -0.58 1 144 PHE 4.42 -1.54 1 145 GLN 4.02 0.01 1 146 ASP 3.81 -0.68 1 147 LYS 3.54 -2.24 1 148 ILE 4.08 -3.09 1 149 ASP 3.01 -0.45 1 150 GLU 2.00 0.10 1 151 GLU 1.47 -0.04 1 153 ALA -0.12 0.24 1 154 LYS 0.57 -0.21 1 155 LYS 0.77 0.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 1.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 130 ARG 6.66 -2.34 0 73 GLU -1.23 -1.66 0 10 VAL -4.62 0.51 1 11 THR 0.47 0.94 1 12 VAL -5.70 0.96 1 13 LYS 2.21 0.35 1 14 ALA -6.09 0.19 1 15 ASP -1.69 -0.08 1 16 ARG 5.16 -0.22 1 17 LYS 5.55 -0.45 1 18 THR 6.84 -0.39 1 19 ALA 4.66 -0.31 1 20 PHE 3.43 -1.43 1 21 LYS 4.19 -0.12 1 22 THR 6.49 -0.23 1 23 PHE 4.13 -0.34 1 24 LEU 2.83 0.28 1 25 GLU 0.35 0.17 1 27 PHE 5.37 -1.93 1 29 GLU -0.87 -0.07 1 30 TRP -3.95 0.28 1 31 TRP 2.08 -1.02 1 33 ASN 3.12 -0.49 1 34 ASN 1.89 -0.13 1 35 PHE 0.77 0.23 1 36 ARG -8.27 0.18 1 37 THR 0.72 0.12 1 38 THR 0.40 0.05 1 39 LYS -3.84 0.17 1 40 VAL 3.91 -0.60 1 42 ALA 0.67 -0.14 1 44 LEU -6.15 0.91 1 46 VAL -4.80 0.88 1 47 ASP -3.99 0.56 1 48 LYS 4.12 -0.15 1 49 LYS 3.77 -0.15 1 52 ARG -5.58 1.00 1 53 TRP -4.85 0.46 1 54 TYR -6.67 1.05 1 55 GLU -8.10 0.97 1 56 ILE -1.28 0.76 1 57 ASP -2.84 0.39 1 58 GLU 2.68 -0.25 1 59 GLN 0.26 0.17 1 61 GLU -0.43 -0.14 1 62 GLU -2.31 0.43 1 63 HIS -2.25 -0.10 1 64 THR 0.75 0.11 1 65 PHE -2.59 0.66 1 67 LEU -3.70 0.57 1 68 ILE 3.74 -0.54 1 69 ARG 0.78 -0.08 1 70 LYS -2.31 0.14 1 71 VAL -1.47 0.26 1 72 ASP -1.89 0.47 1 75 ASP -0.54 0.36 1 76 THR -4.04 1.54 1 77 LEU -6.36 0.82 1 78 VAL -1.42 0.76 1 79 ILE -3.26 0.33 1 81 TRP -4.95 1.02 1 82 ARG -0.88 0.28 1 83 LEU 0.09 0.11 1 84 ASN -1.80 -0.24 1 86 PHE -1.44 0.32 1 88 ARG -4.40 0.21 1 89 ILE 1.96 -0.57 1 90 ASP -4.33 -0.04 1 92 ASP -2.32 0.26 1 93 ASN -4.41 0.40 1 94 SER -1.69 0.68 1 95 SER -2.12 0.52 1 96 GLU -5.34 1.08 1 97 PHE -6.68 1.34 1 98 THR -2.08 0.81 1 99 VAL -1.63 0.66 1 100 THR -1.73 0.94 1 101 PHE -1.25 0.38 1 102 VAL -2.85 0.23 1 103 ALA 1.35 0.22 1 104 ASP -1.65 0.28 1 106 GLN -4.73 -0.20 1 107 LYS -1.04 -0.22 1 108 LYS -3.40 0.81 1 109 THR -2.04 0.54 1 110 ARG -1.28 0.53 1 111 VAL -0.35 0.17 1 112 ASP -2.96 0.42 1 113 VAL -1.78 0.42 1 114 GLU -4.37 0.85 1 115 HIS -8.55 0.70 1 116 THR -1.56 0.05 1 118 PHE 5.80 -0.55 1 119 ASP 3.37 -0.46 1 120 ARG 4.17 -0.20 1 121 MET 1.57 0.16 1 124 LYS 2.92 -0.19 1 125 HIS -3.46 -0.22 1 126 ALA 4.16 -0.58 1 127 LYS 4.01 -0.13 1 128 ARG 3.34 -0.33 1 129 VAL 5.08 -0.46 1 131 ASN 3.98 -0.29 1 133 MET 4.72 0.28 1 134 ASP 2.93 0.24 1 135 LYS 1.58 -0.08 1 137 TRP 6.93 -0.40 1 139 THR 5.22 -0.32 1 140 ILE 5.58 -1.11 1 141 LEU 4.12 -0.15 1 142 GLN 3.76 -0.24 1 143 SER 4.61 -0.10 1 144 PHE 4.42 -1.11 1 145 GLN 4.02 -0.97 1 146 ASP 3.81 -0.29 1 147 LYS 3.54 -0.08 1 148 ILE 4.08 -0.54 1 149 ASP 3.01 -0.16 1 150 GLU 2.00 -0.23 1 151 GLU 1.47 -0.14 1 153 ALA -0.12 0.06 1 154 LYS 0.57 0.00 1 155 LYS 0.77 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 -2.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.27 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 ARG 3.34 4.34 0 36 ARG -8.27 -0.40 0 57 ASP -2.84 2.56 0 115 HIS -8.55 -0.21 0 10 VAL -4.62 -3.70 1 11 THR 0.47 -0.18 1 12 VAL -5.70 -0.90 1 13 LYS 2.21 -1.66 1 14 ALA -6.09 -1.80 1 15 ASP -1.69 -0.31 1 16 ARG 5.16 1.83 1 17 LYS 5.55 2.76 1 18 THR 6.84 2.97 1 19 ALA 4.66 -0.23 1 20 PHE 3.43 1.02 1 21 LYS 4.19 2.99 1 22 THR 6.49 1.90 1 23 PHE 4.13 -0.56 1 24 LEU 2.83 -0.76 1 25 GLU 0.35 1.51 1 29 GLU -0.87 0.24 1 30 TRP -3.95 -0.17 1 33 ASN 3.12 -0.63 1 34 ASN 1.89 -0.34 1 35 PHE 0.77 -0.68 1 37 THR 0.72 0.89 1 38 THR 0.40 -0.23 1 39 LYS -3.84 -1.79 1 40 VAL 3.91 0.93 1 44 LEU -6.15 -0.75 1 46 VAL -4.80 -1.85 1 48 LYS 4.12 1.68 1 49 LYS 3.77 2.15 1 52 ARG -5.58 -1.34 1 53 TRP -4.85 -0.89 1 54 TYR -6.67 -4.62 1 55 GLU -8.10 -1.73 1 56 ILE -1.28 -0.48 1 58 GLU 2.68 1.06 1 59 GLN 0.26 0.39 1 61 GLU -0.43 -1.21 1 62 GLU -2.31 0.49 1 63 HIS -2.25 1.90 1 65 PHE -2.59 -3.29 1 67 LEU -3.70 -2.42 1 68 ILE 3.74 -0.90 1 69 ARG 0.78 0.02 1 70 LYS -2.31 -2.78 1 71 VAL -1.47 -2.18 1 72 ASP -1.89 -1.48 1 75 ASP -0.54 0.38 1 76 THR -4.04 -1.85 1 77 LEU -6.36 -2.93 1 78 VAL -1.42 -1.17 1 79 ILE -3.26 -1.51 1 81 TRP -4.95 0.27 1 82 ARG -0.88 -1.92 1 83 LEU 0.09 -1.07 1 86 PHE -1.44 0.16 1 88 ARG -4.40 -1.15 1 89 ILE 1.96 -0.53 1 92 ASP -2.32 -0.45 1 93 ASN -4.41 -1.34 1 94 SER -1.69 0.34 1 95 SER -2.12 -0.15 1 96 GLU -5.34 -3.27 1 97 PHE -6.68 -3.93 1 98 THR -2.08 -0.82 1 99 VAL -1.63 -1.76 1 100 THR -1.73 -2.07 1 101 PHE -1.25 -0.10 1 102 VAL -2.85 -1.03 1 103 ALA 1.35 -0.88 1 104 ASP -1.65 -0.98 1 106 GLN -4.73 -0.60 1 107 LYS -1.04 -2.10 1 108 LYS -3.40 -0.75 1 109 THR -2.04 -2.39 1 110 ARG -1.28 -0.81 1 111 VAL -0.35 -2.66 1 112 ASP -2.96 -1.30 1 113 VAL -1.78 -0.80 1 114 GLU -4.37 -3.00 1 116 THR -1.56 -2.95 1 118 PHE 5.80 1.38 1 119 ASP 3.37 2.40 1 120 ARG 4.17 0.75 1 121 MET 1.57 1.20 1 124 LYS 2.92 0.94 1 125 HIS -3.46 1.92 1 126 ALA 4.16 -0.29 1 127 LYS 4.01 0.94 1 129 VAL 5.08 0.56 1 130 ARG 6.66 2.54 1 131 ASN 3.98 3.43 1 133 MET 4.72 2.24 1 134 ASP 2.93 1.59 1 135 LYS 1.58 2.63 1 139 THR 5.22 1.96 1 140 ILE 5.58 1.48 1 141 LEU 4.12 1.44 1 142 GLN 3.76 1.55 1 143 SER 4.61 3.20 1 144 PHE 4.42 -0.41 1 145 GLN 4.02 1.80 1 146 ASP 3.81 2.17 1 147 LYS 3.54 1.86 1 148 ILE 4.08 2.28 1 149 ASP 3.01 1.93 1 150 GLU 2.00 1.66 1 151 GLU 1.47 1.98 1 153 ALA -0.12 -0.01 1 154 LYS 0.57 -0.80 1 stop_ save_