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 bmr6341_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 4.96 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -3.63 3.52 0 11 LYS 2.49 1.63 1 13 GLN -3.51 -3.55 1 14 VAL -5.69 -3.03 1 15 ASP -0.27 0.36 1 16 LEU 0.82 0.33 1 17 LEU 3.52 4.03 1 18 ASP 2.94 2.23 1 19 PHE -0.42 -0.47 1 20 ILE 2.56 2.71 1 21 ASP -0.88 -2.67 1 22 TRP 3.46 2.81 1 23 SER 3.28 2.71 1 25 VAL 0.41 0.03 1 26 GLU -6.29 -1.26 1 28 LEU -0.63 -0.02 1 29 ASN 1.06 0.94 1 30 GLN -1.74 -1.46 1 31 SER -0.59 -1.04 1 32 SER 3.55 2.73 1 33 SER 0.51 0.54 1 34 HIS -1.22 0.02 1 35 SER -1.29 0.38 1 36 LEU 5.11 2.84 1 38 ASN 2.41 2.03 1 39 ALA -3.98 -1.61 1 40 LEU -6.36 0.02 1 41 LYS -1.47 0.98 1 42 GLN 3.25 2.37 1 44 TYR 0.35 0.83 1 45 ARG -2.21 2.80 1 46 GLU 1.01 0.06 1 47 ASP -0.68 -0.31 1 48 GLU 2.27 1.66 1 50 LEU -3.51 -1.95 1 51 ASN -4.33 -1.50 1 52 LEU -3.06 -1.17 1 53 GLU -6.51 -2.85 1 54 SER -0.82 0.00 1 55 ASP -0.17 1.09 1 56 ALA 0.58 1.48 1 57 ASP 1.48 -0.54 1 58 GLU 1.19 1.17 1 59 GLN -0.53 0.91 1 60 LEU -7.87 -0.65 1 61 LEU -3.44 -0.59 1 62 ILE -2.59 -0.10 1 63 TYR -3.17 -0.70 1 64 ILE -3.76 -1.37 1 66 PHE -4.01 -1.01 1 67 ASN 0.58 0.53 1 68 GLN -5.17 -2.07 1 69 VAL 2.75 1.30 1 70 ILE -6.49 -3.12 1 71 LYS -1.78 -1.71 1 72 LEU -2.89 -0.52 1 74 SER -2.47 -1.13 1 75 PHE -5.27 -2.07 1 76 ALA -5.06 -1.42 1 77 ILE -4.40 -1.08 1 78 LYS -5.54 -2.44 1 81 GLU 3.71 3.78 1 82 GLU 3.07 2.48 1 83 GLU 0.58 -0.09 1 86 LYS -2.19 1.53 1 87 THR 0.73 0.96 1 88 VAL -3.76 -1.99 1 89 LYS -4.93 -1.16 1 90 PHE -4.25 -0.74 1 91 PHE -2.77 -1.27 1 92 SER -2.12 -1.21 1 93 ASN 3.61 0.98 1 94 LYS -3.65 -2.75 1 95 GLU -2.69 -1.16 1 96 HIS 2.52 0.84 1 97 MET 1.25 1.05 1 99 PHE 6.88 5.15 1 100 SER 2.90 1.93 1 101 ASN -1.03 -0.13 1 102 VAL 4.32 2.27 1 103 ASN 0.91 0.89 1 104 ASP 1.49 1.66 1 105 PHE -7.75 -3.45 1 108 SER 3.95 4.04 1 109 ASP -3.47 -0.28 1 110 THR -2.34 -0.19 1 111 ALA -5.75 -1.44 1 112 GLU -2.90 -2.56 1 113 LEU 0.73 0.05 1 114 THR -4.82 -2.36 1 115 GLU 4.59 3.51 1 116 GLU 3.05 2.70 1 117 ASN 3.50 4.36 1 118 LEU 4.33 2.33 1 119 LYS 0.66 0.40 1 121 LYS 0.15 0.95 1 123 VAL -1.30 -1.10 1 124 VAL 1.54 0.54 1 125 LEU -2.56 -0.88 1 126 LYS 2.33 -0.15 1 127 TYR 2.52 2.52 1 128 VAL 3.81 2.30 1 129 LYS 0.68 -0.72 1 130 PHE -2.34 -1.24 1 131 GLN -0.57 -0.04 1 132 ASN -0.04 -0.49 1 133 VAL 2.80 2.22 1 134 ARG -0.96 -0.15 1 135 SER -2.45 -0.85 1 136 LEU -8.17 -1.81 1 137 THR -0.78 -0.28 1 138 ILE -2.33 -0.71 1 139 PHE -6.83 -4.84 1 140 ILE 0.99 -0.13 1 141 GLU -2.73 -0.38 1 142 ALA -6.41 -1.73 1 143 ASN -3.33 -0.93 1 144 GLN 4.17 3.59 1 145 SER -2.07 -0.10 1 147 SER -0.02 -0.24 1 148 GLU 2.48 2.40 1 149 VAL -4.41 -2.23 1 150 THR -0.50 -1.06 1 151 LYS -4.36 -1.37 1 152 VAL -3.15 -1.10 1 153 GLN 0.22 2.14 1 154 LYS -4.49 -0.54 1 155 ILE -3.16 -0.44 1 156 ALA -5.58 -1.97 1 157 LEU -4.13 -2.08 1 158 TYR -4.16 -3.62 1 160 SER -3.00 -1.08 1 161 THR 0.28 0.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6341_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 5.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -3.63 7.15 0 11 LYS 2.49 -0.86 1 13 GLN -3.51 -0.04 1 14 VAL -5.69 2.66 1 15 ASP -0.27 0.63 1 16 LEU 0.82 -0.49 1 17 LEU 3.52 0.51 1 18 ASP 2.94 -0.71 1 19 PHE -0.42 -0.05 1 20 ILE 2.56 0.15 1 21 ASP -0.88 -1.79 1 22 TRP 3.46 -0.65 1 23 SER 3.28 -0.57 1 25 VAL 0.41 -0.38 1 26 GLU -6.29 5.03 1 28 LEU -0.63 0.61 1 29 ASN 1.06 -0.12 1 30 GLN -1.74 0.28 1 31 SER -0.59 -0.45 1 32 SER 3.55 -0.82 1 33 SER 0.51 0.03 1 34 HIS -1.22 1.24 1 35 SER -1.29 1.67 1 36 LEU 5.11 -2.27 1 38 ASN 2.41 -0.38 1 39 ALA -3.98 2.37 1 40 LEU -6.36 6.38 1 41 LYS -1.47 2.45 1 42 GLN 3.25 -0.88 1 44 TYR 0.35 0.48 1 45 ARG -2.21 5.01 1 46 GLU 1.01 -0.95 1 47 ASP -0.68 0.37 1 48 GLU 2.27 -0.61 1 50 LEU -3.51 1.56 1 51 ASN -4.33 2.83 1 52 LEU -3.06 1.89 1 53 GLU -6.51 3.66 1 54 SER -0.82 0.82 1 55 ASP -0.17 1.26 1 56 ALA 0.58 0.90 1 57 ASP 1.48 -2.02 1 58 GLU 1.19 -0.02 1 59 GLN -0.53 1.44 1 60 LEU -7.87 7.22 1 61 LEU -3.44 2.85 1 62 ILE -2.59 2.49 1 63 TYR -3.17 2.47 1 64 ILE -3.76 2.39 1 66 PHE -4.01 3.00 1 67 ASN 0.58 -0.05 1 68 GLN -5.17 3.10 1 69 VAL 2.75 -1.45 1 70 ILE -6.49 3.37 1 71 LYS -1.78 0.07 1 72 LEU -2.89 2.37 1 74 SER -2.47 1.34 1 75 PHE -5.27 3.20 1 76 ALA -5.06 3.64 1 77 ILE -4.40 3.32 1 78 LYS -5.54 3.10 1 81 GLU 3.71 0.07 1 82 GLU 3.07 -0.59 1 83 GLU 0.58 -0.67 1 86 LYS -2.19 3.72 1 87 THR 0.73 0.23 1 88 VAL -3.76 1.77 1 89 LYS -4.93 3.77 1 90 PHE -4.25 3.51 1 91 PHE -2.77 1.50 1 92 SER -2.12 0.91 1 93 ASN 3.61 -2.63 1 94 LYS -3.65 0.90 1 95 GLU -2.69 1.53 1 96 HIS 2.52 -1.68 1 97 MET 1.25 -0.20 1 99 PHE 6.88 -1.73 1 100 SER 2.90 -0.97 1 101 ASN -1.03 0.90 1 102 VAL 4.32 -2.05 1 103 ASN 0.91 -0.02 1 104 ASP 1.49 0.17 1 105 PHE -7.75 4.30 1 108 SER 3.95 0.09 1 109 ASP -3.47 3.19 1 110 THR -2.34 2.15 1 111 ALA -5.75 4.31 1 112 GLU -2.90 0.34 1 113 LEU 0.73 -0.68 1 114 THR -4.82 2.46 1 115 GLU 4.59 -1.08 1 116 GLU 3.05 -0.35 1 117 ASN 3.50 0.86 1 118 LEU 4.33 -2.00 1 119 LYS 0.66 -0.26 1 121 LYS 0.15 0.80 1 123 VAL -1.30 0.20 1 124 VAL 1.54 -1.00 1 125 LEU -2.56 1.68 1 126 LYS 2.33 -2.48 1 127 TYR 2.52 0.00 1 128 VAL 3.81 -1.51 1 129 LYS 0.68 -1.40 1 130 PHE -2.34 1.10 1 131 GLN -0.57 0.53 1 132 ASN -0.04 -0.45 1 133 VAL 2.80 -0.58 1 134 ARG -0.96 0.81 1 135 SER -2.45 1.60 1 136 LEU -8.17 6.36 1 137 THR -0.78 0.50 1 138 ILE -2.33 1.62 1 139 PHE -6.83 1.99 1 140 ILE 0.99 -1.12 1 141 GLU -2.73 2.35 1 142 ALA -6.41 4.68 1 143 ASN -3.33 2.40 1 144 GLN 4.17 -0.58 1 145 SER -2.07 1.97 1 147 SER -0.02 -0.22 1 148 GLU 2.48 -0.08 1 149 VAL -4.41 2.18 1 150 THR -0.50 -0.56 1 151 LYS -4.36 2.99 1 152 VAL -3.15 2.05 1 153 GLN 0.22 1.92 1 154 LYS -4.49 3.95 1 155 ILE -3.16 2.72 1 156 ALA -5.58 3.61 1 157 LEU -4.13 2.05 1 158 TYR -4.16 0.54 1 160 SER -3.00 1.92 1 161 THR 0.28 0.52 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6341_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 141 GLU -2.73 -0.82 0 137 THR -0.78 1.37 0 11 LYS 2.49 -0.36 1 13 GLN -3.51 0.37 1 14 VAL -5.69 0.63 1 15 ASP -0.27 0.43 1 16 LEU 0.82 0.20 1 17 LEU 3.52 -0.26 1 18 ASP 2.94 -0.11 1 19 PHE -0.42 0.25 1 20 ILE 2.56 -0.82 1 21 ASP -0.88 0.18 1 22 TRP 3.46 -0.61 1 23 SER 3.28 -0.06 1 25 VAL 0.41 0.29 1 26 GLU -6.29 0.45 1 28 LEU -0.63 0.35 1 29 ASN 1.06 -0.04 1 30 GLN -1.74 0.37 1 32 SER 3.55 -0.26 1 33 SER 0.51 -0.05 1 34 HIS -1.22 -0.04 1 35 SER -1.29 0.20 1 36 LEU 5.11 -0.39 1 38 ASN 2.41 -0.47 1 39 ALA -3.98 0.73 1 40 LEU -6.36 0.61 1 41 LYS -1.47 0.10 1 42 GLN 3.25 -0.30 1 44 TYR 0.35 -0.07 1 45 ARG -2.21 -0.06 1 46 GLU 1.01 -0.05 1 47 ASP -0.68 -0.04 1 48 GLU 2.27 -0.36 1 50 LEU -3.51 0.43 1 51 ASN -4.33 0.52 1 52 LEU -3.06 0.23 1 53 GLU -6.51 1.38 1 54 SER -0.82 0.61 1 55 ASP -0.17 0.17 1 56 ALA 0.58 -0.10 1 57 ASP 1.48 -0.14 1 58 GLU 1.19 -0.31 1 59 GLN -0.53 0.41 1 60 LEU -7.87 0.83 1 61 LEU -3.44 1.02 1 62 ILE -2.59 0.49 1 63 TYR -3.17 0.65 1 64 ILE -3.76 -0.47 1 66 PHE -4.01 0.63 1 67 ASN 0.58 -0.04 1 68 GLN -5.17 0.19 1 69 VAL 2.75 -0.03 1 70 ILE -6.49 0.36 1 71 LYS -1.78 0.72 1 72 LEU -2.89 0.14 1 73 HIS -3.63 -0.09 1 74 SER -2.47 0.50 1 75 PHE -5.27 0.69 1 76 ALA -5.06 0.44 1 77 ILE -4.40 0.86 1 78 LYS -5.54 0.90 1 81 GLU 3.71 -0.48 1 82 GLU 3.07 0.01 1 83 GLU 0.58 0.12 1 86 LYS -2.19 0.19 1 87 THR 0.73 0.46 1 88 VAL -3.76 0.72 1 89 LYS -4.93 0.61 1 90 PHE -4.25 0.64 1 91 PHE -2.77 0.40 1 92 SER -2.12 0.70 1 93 ASN 3.61 -0.10 1 94 LYS -3.65 0.37 1 95 GLU -2.69 -0.23 1 96 HIS 2.52 -0.64 1 97 MET 1.25 -0.19 1 99 PHE 6.88 -0.62 1 100 SER 2.90 -0.12 1 101 ASN -1.03 0.14 1 102 VAL 4.32 -0.66 1 103 ASN 0.91 0.14 1 104 ASP 1.49 -0.11 1 105 PHE -7.75 -0.01 1 108 SER 3.95 -0.20 1 109 ASP -3.47 0.28 1 110 THR -2.34 0.80 1 111 ALA -5.75 0.55 1 112 GLU -2.90 0.84 1 113 LEU 0.73 0.27 1 114 THR -4.82 0.52 1 115 GLU 4.59 -0.33 1 116 GLU 3.05 -0.28 1 117 ASN 3.50 0.30 1 118 LEU 4.33 0.55 1 119 LYS 0.66 0.12 1 121 LYS 0.15 0.00 1 123 VAL -1.30 -0.19 1 124 VAL 1.54 -0.29 1 125 LEU -2.56 0.02 1 126 LYS 2.33 0.03 1 127 TYR 2.52 -0.13 1 128 VAL 3.81 -0.18 1 129 LYS 0.68 -0.06 1 130 PHE -2.34 0.23 1 131 GLN -0.57 -0.02 1 132 ASN -0.04 -0.17 1 133 VAL 2.80 -0.11 1 134 ARG -0.96 0.50 1 135 SER -2.45 0.59 1 136 LEU -8.17 0.88 1 138 ILE -2.33 0.15 1 139 PHE -6.83 1.21 1 140 ILE 0.99 0.11 1 142 ALA -6.41 0.37 1 143 ASN -3.33 0.26 1 144 GLN 4.17 -0.65 1 145 SER -2.07 0.37 1 147 SER -0.02 -0.13 1 148 GLU 2.48 -0.26 1 149 VAL -4.41 -0.10 1 150 THR -0.50 0.65 1 151 LYS -4.36 0.87 1 152 VAL -3.15 0.14 1 153 GLN 0.22 0.31 1 154 LYS -4.49 0.90 1 155 ILE -3.16 0.63 1 156 ALA -5.58 0.47 1 157 LEU -4.13 0.20 1 158 TYR -4.16 1.38 1 160 SER -3.00 0.35 1 161 THR 0.28 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6341_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.17 _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 0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 1.79 _LACS_plot.Y_axis_chem_shift_offset 0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 PHE 6.88 1.43 0 78 LYS -5.54 1.22 0 44 TYR 0.35 3.54 0 116 GLU 3.05 4.07 0 140 ILE 0.99 -4.08 0 11 LYS 2.49 1.41 1 13 GLN -3.51 -0.95 1 14 VAL -5.69 -0.95 1 15 ASP -0.27 2.03 1 16 LEU 0.82 -0.86 1 17 LEU 3.52 1.58 1 18 ASP 2.94 0.45 1 19 PHE -0.42 -0.93 1 20 ILE 2.56 -1.59 1 21 ASP -0.88 -0.06 1 22 TRP 3.46 1.58 1 23 SER 3.28 0.62 1 25 VAL 0.41 -0.01 1 26 GLU -6.29 -2.23 1 28 LEU -0.63 -0.13 1 29 ASN 1.06 -0.03 1 30 GLN -1.74 0.55 1 32 SER 3.55 0.96 1 33 SER 0.51 -1.12 1 34 HIS -1.22 -0.44 1 35 SER -1.29 0.08 1 38 ASN 2.41 -0.44 1 39 ALA -3.98 -1.19 1 40 LEU -6.36 -1.62 1 41 LYS -1.47 -1.00 1 45 ARG -2.21 0.16 1 46 GLU 1.01 -0.45 1 47 ASP -0.68 1.63 1 48 GLU 2.27 0.12 1 50 LEU -3.51 -2.65 1 51 ASN -4.33 0.72 1 52 LEU -3.06 -2.67 1 53 GLU -6.51 -1.02 1 54 SER -0.82 -1.89 1 55 ASP -0.17 0.24 1 56 ALA 0.58 -0.34 1 57 ASP 1.48 -0.06 1 58 GLU 1.19 0.07 1 59 GLN -0.53 0.29 1 60 LEU -7.87 -2.19 1 61 LEU -3.44 -3.32 1 62 ILE -2.59 -3.47 1 63 TYR -3.17 -2.62 1 66 PHE -4.01 1.61 1 67 ASN 0.58 -0.57 1 68 GLN -5.17 -3.55 1 69 VAL 2.75 0.43 1 70 ILE -6.49 -2.71 1 71 LYS -1.78 -0.70 1 72 LEU -2.89 -4.10 1 73 HIS -3.63 0.90 1 74 SER -2.47 -2.14 1 75 PHE -5.27 -4.33 1 76 ALA -5.06 -1.77 1 77 ILE -4.40 -3.17 1 81 GLU 3.71 0.12 1 82 GLU 3.07 2.54 1 83 GLU 0.58 -0.60 1 86 LYS -2.19 -2.93 1 87 THR 0.73 -1.05 1 88 VAL -3.76 -2.61 1 89 LYS -4.93 -2.85 1 90 PHE -4.25 -0.66 1 92 SER -2.12 0.03 1 93 ASN 3.61 -0.99 1 94 LYS -3.65 -1.16 1 95 GLU -2.69 -0.82 1 96 HIS 2.52 0.98 1 97 MET 1.25 -1.02 1 101 ASN -1.03 2.39 1 102 VAL 4.32 -1.19 1 103 ASN 0.91 0.62 1 104 ASP 1.49 -0.71 1 108 SER 3.95 -0.87 1 109 ASP -3.47 -1.93 1 110 THR -2.34 -2.63 1 111 ALA -5.75 -3.28 1 112 GLU -2.90 -0.23 1 113 LEU 0.73 0.59 1 114 THR -4.82 1.47 1 117 ASN 3.50 3.21 1 118 LEU 4.33 0.61 1 119 LYS 0.66 0.84 1 123 VAL -1.30 -1.80 1 124 VAL 1.54 0.40 1 125 LEU -2.56 0.31 1 126 LYS 2.33 0.02 1 127 TYR 2.52 2.92 1 128 VAL 3.81 0.62 1 129 LYS 0.68 0.23 1 130 PHE -2.34 -1.52 1 131 GLN -0.57 -1.17 1 132 ASN -0.04 -0.51 1 133 VAL 2.80 -1.89 1 135 SER -2.45 -3.46 1 136 LEU -8.17 -3.56 1 137 THR -0.78 -0.80 1 138 ILE -2.33 -2.64 1 139 PHE -6.83 -1.52 1 141 GLU -2.73 -1.64 1 142 ALA -6.41 -0.97 1 143 ASN -3.33 0.59 1 144 GLN 4.17 1.60 1 145 SER -2.07 0.84 1 147 SER -0.02 1.36 1 148 GLU 2.48 -1.52 1 149 VAL -4.41 -1.73 1 150 THR -0.50 -0.99 1 151 LYS -4.36 -2.26 1 152 VAL -3.15 -1.71 1 153 GLN 0.22 -1.16 1 154 LYS -4.49 -2.56 1 155 ILE -3.16 -3.44 1 156 ALA -5.58 -3.67 1 157 LEU -4.13 -3.95 1 158 TYR -4.16 0.51 1 160 SER -3.00 -2.49 1 stop_ save_