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 bmr27687_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.95 _LACS_plot.Line_1_terminator_val_y_1 -3.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -0.83 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 4.68 _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 58 PHE 0.40 4.12 0 68 LYS -9.95 -2.66 0 10 THR -2.76 -1.15 1 11 SER -4.55 -2.24 1 12 GLU -0.12 0.62 1 13 ILE -0.25 -2.19 1 17 ARG 3.02 3.01 1 18 LEU 2.97 2.61 1 19 PHE 3.79 4.70 1 20 LYS 3.82 4.12 1 21 ALA 0.34 1.92 1 22 PHE -0.35 0.49 1 23 VAL 3.26 1.45 1 24 LEU 4.50 2.35 1 25 ASP -3.74 -1.33 1 26 ALA 4.02 3.75 1 27 ASP 3.59 2.45 1 28 ASN -0.63 0.63 1 29 LEU 2.51 2.53 1 30 VAL 1.91 1.87 1 32 LYS 1.74 2.78 1 33 ILE 3.45 1.51 1 36 GLN 0.45 1.13 1 37 ALA -0.11 0.85 1 39 LYS -3.69 0.61 1 40 HIS -3.01 -2.15 1 41 SER -6.46 -2.34 1 42 GLU 2.07 1.11 1 43 ILE 0.68 0.84 1 44 LEU -4.51 -0.89 1 45 GLU -1.89 -1.27 1 47 ASP 2.61 2.48 1 52 THR -2.45 -1.46 1 53 ILE -5.51 -2.12 1 54 LYS -4.68 -1.56 1 55 LYS -1.73 -0.70 1 56 ILE -1.09 -0.74 1 57 THR -1.86 -0.81 1 60 GLU 1.12 0.51 1 63 GLN -1.76 -1.04 1 64 TYR -4.79 -1.76 1 66 TYR -6.42 -2.62 1 67 VAL -4.36 -0.90 1 69 HIS -5.58 -2.55 1 70 LYS 3.48 1.40 1 71 ILE 0.78 2.39 1 72 ASP -0.98 0.05 1 73 SER -1.53 1.16 1 74 ILE -2.48 -1.97 1 75 ASP 2.91 2.39 1 76 LYS 2.07 1.73 1 77 GLU -1.41 -1.12 1 78 ASN 3.89 2.48 1 79 HIS -4.69 -1.82 1 80 SER -6.22 -1.81 1 81 TYR -3.27 -1.39 1 82 SER -3.21 -1.16 1 83 TYR -2.07 0.00 1 84 THR -0.45 0.74 1 85 LEU -1.11 0.28 1 86 ILE -4.85 0.33 1 87 GLU 3.15 3.07 1 89 ASP 1.24 1.15 1 90 ALA 2.56 0.46 1 91 LEU -0.06 0.32 1 93 ASP -0.15 0.88 1 94 ASN -2.77 -1.12 1 95 LEU -1.02 0.90 1 96 GLU -0.95 -0.50 1 97 LYS -3.36 -0.26 1 98 ILE -2.14 -0.63 1 99 SER -3.54 -0.94 1 100 TYR -3.94 -0.74 1 101 GLU -1.34 0.15 1 102 THR -4.08 -0.98 1 103 LYS -1.69 -0.78 1 104 LEU -4.50 -2.11 1 105 VAL 1.00 0.44 1 106 ALA -4.48 -4.07 1 107 SER 0.03 -0.40 1 109 SER -2.76 0.68 1 112 SER -0.22 0.10 1 113 ILE 0.26 0.07 1 114 ILE -1.01 -0.94 1 115 LYS -2.53 -1.49 1 116 SER -0.15 0.33 1 117 THR -4.69 -2.35 1 118 SER -3.84 -1.15 1 119 HIS -0.56 0.44 1 120 TYR -1.75 0.31 1 121 HIS -1.95 -1.25 1 122 THR -0.02 -0.08 1 123 LYS 0.41 -0.16 1 125 ASP -0.94 -0.15 1 126 VAL -2.32 -1.15 1 127 GLU -1.64 -2.59 1 128 ILE -0.46 -0.67 1 129 LYS 3.43 2.94 1 130 GLU 3.76 2.86 1 131 GLU 1.28 3.75 1 132 HIS 3.82 2.57 1 133 VAL 4.19 3.58 1 134 LYS 3.65 2.55 1 135 ALA 3.69 3.43 1 137 LYS 3.05 2.63 1 138 GLU 3.91 3.25 1 139 LYS 3.38 2.45 1 140 ALA 3.49 2.65 1 141 SER 3.54 3.09 1 142 ASN 4.53 2.89 1 143 LEU 6.42 4.55 1 144 PHE 4.26 3.13 1 145 LYS 3.35 3.39 1 146 LEU 5.24 4.35 1 147 ILE 3.48 3.89 1 148 GLU 6.13 5.05 1 149 THR 4.93 4.54 1 150 TYR 4.11 2.80 1 151 LEU 3.82 3.00 1 152 LYS 1.82 0.85 1 154 HIS 0.31 -0.20 1 156 ASP -0.67 0.02 1 157 ALA 5.88 2.20 1 158 TYR -0.44 1.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27687_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.95 _LACS_plot.Line_1_terminator_val_y_1 6.20 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.17 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _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 58 PHE 0.40 3.72 0 68 LYS -9.95 7.29 0 10 THR -2.76 1.61 1 11 SER -4.55 2.31 1 12 GLU -0.12 0.74 1 13 ILE -0.25 -1.94 1 17 ARG 3.02 -0.01 1 18 LEU 2.97 -0.36 1 19 PHE 3.79 0.91 1 20 LYS 3.82 0.30 1 21 ALA 0.34 1.58 1 22 PHE -0.35 0.84 1 23 VAL 3.26 -1.81 1 24 LEU 4.50 -2.15 1 25 ASP -3.74 2.41 1 26 ALA 4.02 -0.27 1 27 ASP 3.59 -1.14 1 28 ASN -0.63 1.26 1 29 LEU 2.51 0.02 1 30 VAL 1.91 -0.04 1 32 LYS 1.74 1.04 1 33 ILE 3.45 -1.94 1 36 GLN 0.45 0.68 1 37 ALA -0.11 0.96 1 39 LYS -3.69 4.30 1 40 HIS -3.01 0.86 1 41 SER -6.46 4.12 1 42 GLU 2.07 -0.96 1 43 ILE 0.68 0.16 1 44 LEU -4.51 3.62 1 45 GLU -1.89 0.62 1 47 ASP 2.61 -0.13 1 52 THR -2.45 0.99 1 53 ILE -5.51 3.39 1 54 LYS -4.68 3.12 1 55 LYS -1.73 1.03 1 56 ILE -1.09 0.35 1 57 THR -1.86 1.05 1 60 GLU 1.12 -0.61 1 63 GLN -1.76 0.72 1 64 TYR -4.79 3.03 1 66 TYR -6.42 3.80 1 67 VAL -4.36 3.46 1 69 HIS -5.58 3.03 1 70 LYS 3.48 -2.08 1 71 ILE 0.78 1.61 1 72 ASP -0.98 1.03 1 73 SER -1.53 2.69 1 74 ILE -2.48 0.51 1 75 ASP 2.91 -0.52 1 76 LYS 2.07 -0.34 1 77 GLU -1.41 0.29 1 78 ASN 3.89 -1.41 1 79 HIS -4.69 2.87 1 80 SER -6.22 4.41 1 81 TYR -3.27 1.88 1 82 SER -3.21 2.05 1 83 TYR -2.07 2.07 1 84 THR -0.45 1.19 1 85 LEU -1.11 1.39 1 86 ILE -4.85 5.18 1 87 GLU 3.15 -0.08 1 89 ASP 1.24 -0.09 1 90 ALA 2.56 -2.10 1 91 LEU -0.06 0.38 1 93 ASP -0.15 1.03 1 94 ASN -2.77 1.65 1 95 LEU -1.02 1.92 1 96 GLU -0.95 0.45 1 97 LYS -3.36 3.10 1 98 ILE -2.14 1.51 1 99 SER -3.54 2.60 1 100 TYR -3.94 3.20 1 101 GLU -1.34 1.49 1 102 THR -4.08 3.10 1 103 LYS -1.69 0.91 1 104 LEU -4.50 2.39 1 105 VAL 1.00 -0.56 1 106 ALA -4.48 0.41 1 107 SER 0.03 -0.43 1 109 SER -2.76 3.44 1 112 SER -0.22 0.32 1 113 ILE 0.26 -0.19 1 114 ILE -1.01 0.07 1 115 LYS -2.53 1.04 1 116 SER -0.15 0.48 1 117 THR -4.69 2.34 1 118 SER -3.84 2.69 1 119 HIS -0.56 1.00 1 120 TYR -1.75 2.06 1 121 HIS -1.95 0.70 1 122 THR -0.02 -0.06 1 123 LYS 0.41 -0.57 1 125 ASP -0.94 0.79 1 126 VAL -2.32 1.17 1 127 GLU -1.64 -0.95 1 128 ILE -0.46 -0.21 1 129 LYS 3.43 -0.49 1 130 GLU 3.76 -0.90 1 131 GLU 1.28 2.47 1 132 HIS 3.82 -1.25 1 133 VAL 4.19 -0.61 1 134 LYS 3.65 -1.10 1 135 ALA 3.69 -0.26 1 137 LYS 3.05 -0.42 1 138 GLU 3.91 -0.66 1 139 LYS 3.38 -0.93 1 140 ALA 3.49 -0.84 1 141 SER 3.54 -0.45 1 142 ASN 4.53 -1.64 1 143 LEU 6.42 -1.87 1 144 PHE 4.26 -1.13 1 145 LYS 3.35 0.04 1 146 LEU 5.24 -0.89 1 147 ILE 3.48 0.41 1 148 GLU 6.13 -1.08 1 149 THR 4.93 -0.39 1 150 TYR 4.11 -1.31 1 151 LEU 3.82 -0.82 1 152 LYS 1.82 -0.97 1 154 HIS 0.31 -0.51 1 156 ASP -0.67 0.69 1 157 ALA 5.88 -3.68 1 158 TYR -0.44 1.78 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27687_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.95 _LACS_plot.Line_1_terminator_val_y_1 1.49 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.45 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ALA 0.34 -1.12 0 10 THR -2.76 0.74 1 11 SER -4.55 0.47 1 12 GLU -0.12 -0.01 1 13 ILE -0.25 0.02 1 17 ARG 3.02 -0.07 1 18 LEU 2.97 -0.46 1 19 PHE 3.79 -0.72 1 20 LYS 3.82 -0.57 1 22 PHE -0.35 -0.42 1 23 VAL 3.26 -0.94 1 24 LEU 4.50 -0.46 1 25 ASP -3.74 0.75 1 27 ASP 3.59 -0.61 1 28 ASN -0.63 -0.04 1 29 LEU 2.51 -0.33 1 32 LYS 1.91 -0.17 1 33 ILE 1.74 -0.05 1 36 GLN 3.45 -0.16 1 37 ALA 0.45 0.01 1 39 LYS -0.11 0.13 1 40 HIS -3.69 -0.03 1 41 SER -3.01 0.68 1 42 GLU -6.46 0.28 1 43 ILE 2.07 -0.11 1 44 LEU 0.68 0.12 1 45 GLU -4.51 0.26 1 47 ASP -1.89 0.11 1 52 THR 2.61 0.34 1 53 ILE -2.45 1.13 1 54 LYS -5.51 0.97 1 55 LYS -4.68 0.84 1 56 ILE -1.73 0.51 1 57 THR -1.09 0.53 1 58 PHE -1.86 0.33 1 60 GLU 0.40 0.51 1 63 GLN 1.12 -0.09 1 64 TYR -1.76 0.27 1 66 TYR -4.79 1.12 1 67 VAL -6.42 0.87 1 68 LYS -4.36 1.41 1 69 HIS -9.95 1.23 1 70 LYS -5.58 1.28 1 71 ILE 3.48 -0.17 1 72 ASP 0.78 0.33 1 73 SER -0.98 0.16 1 74 ILE -1.53 0.52 1 75 ASP -2.48 0.40 1 76 LYS 2.91 -0.50 1 77 GLU 2.07 -0.42 1 78 ASN -1.41 -0.13 1 79 HIS 3.89 -0.47 1 80 SER -4.69 1.38 1 81 TYR -6.22 0.95 1 82 SER -3.27 1.07 1 83 TYR -3.21 0.82 1 84 THR -2.07 0.74 1 85 LEU -0.45 0.85 1 86 ILE -1.11 0.63 1 87 GLU -4.85 0.16 1 89 ASP 3.15 -0.24 1 91 LEU 2.56 -0.04 1 93 ASP -0.06 0.15 1 94 ASN -0.15 0.10 1 95 LEU -2.77 0.73 1 96 GLU -1.02 -0.12 1 97 LYS -0.95 0.47 1 98 ILE -3.36 0.71 1 99 SER -2.14 0.59 1 100 TYR -3.54 0.71 1 101 GLU -3.94 0.69 1 102 THR -1.34 1.19 1 103 LYS -4.08 0.99 1 104 LEU -1.69 1.09 1 105 VAL -4.50 0.33 1 106 ALA 1.00 0.37 1 107 SER -4.48 0.40 1 109 SER 0.03 0.07 1 112 SER -2.76 1.01 1 113 ILE -0.22 0.16 1 114 ILE 0.26 0.23 1 115 LYS -1.01 0.57 1 116 SER -2.53 1.13 1 117 THR -0.15 0.69 1 118 SER -4.69 0.62 1 119 HIS -3.84 0.60 1 120 TYR -0.56 -0.02 1 121 HIS -1.75 0.64 1 122 THR -1.95 0.69 1 123 LYS -0.02 0.18 1 125 ASP 0.41 0.15 1 126 VAL -0.94 0.02 1 127 GLU -2.32 -0.27 1 128 ILE -1.64 -0.15 1 129 LYS -0.46 -0.02 1 130 GLU 3.43 -0.66 1 131 GLU 3.76 -0.39 1 132 HIS 1.28 -0.27 1 133 VAL 3.82 -0.47 1 134 LYS 4.19 -0.39 1 135 ALA 3.65 -0.05 1 137 LYS 3.69 0.01 1 138 GLU 3.05 -0.24 1 139 LYS 3.91 -0.29 1 140 ALA 3.38 -0.32 1 141 SER 3.49 -0.64 1 142 ASN 3.54 -0.31 1 143 LEU 4.53 -0.27 1 144 PHE 6.42 -0.65 1 145 LYS 4.26 -0.20 1 146 LEU 3.35 -0.16 1 147 ILE 5.24 -0.62 1 148 GLU 3.48 -0.62 1 149 THR 6.13 -0.48 1 150 TYR 4.93 -0.19 1 151 LEU 4.11 -0.33 1 152 LYS 3.82 -0.23 1 154 HIS 1.82 -0.17 1 156 ASP 0.31 -0.07 1 157 ALA -0.67 -0.12 1 158 TYR 5.88 -0.46 1 159 ASN -0.44 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27687_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.95 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 2.23 _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 157 ALA 5.88 -2.42 0 68 LYS -9.95 -0.06 0 158 TYR -0.44 5.11 0 10 THR -2.76 -1.27 1 11 SER -4.55 0.94 1 12 GLU -0.12 -0.57 1 13 ILE -0.25 -1.36 1 17 ARG 3.02 0.96 1 18 LEU 2.97 0.77 1 19 PHE 3.79 2.04 1 20 LYS 3.82 -0.25 1 21 ALA 0.34 -2.40 1 22 PHE -0.35 -1.79 1 23 VAL 3.26 1.46 1 24 LEU 4.50 0.89 1 25 ASP -3.74 1.19 1 26 ALA 4.02 0.93 1 27 ASP 3.59 -0.37 1 28 ASN -0.63 1.12 1 29 LEU 2.51 0.39 1 30 VAL 1.91 1.60 1 32 LYS 3.45 -0.03 1 36 GLN -0.11 0.05 1 39 LYS -3.69 -1.67 1 40 HIS -3.01 -1.99 1 41 SER -6.46 -1.83 1 42 GLU 2.07 -0.03 1 43 ILE 0.68 -0.31 1 44 LEU -4.51 -1.90 1 45 GLU -1.89 1.01 1 47 ASP 2.61 -1.33 1 52 THR -2.45 -1.03 1 53 ILE -5.51 -2.21 1 54 LYS -4.68 -1.60 1 55 LYS -1.73 -1.48 1 56 ILE -1.09 -0.34 1 57 THR -1.86 -1.43 1 58 PHE 0.40 -1.66 1 60 GLU 1.12 -1.07 1 63 GLN -1.76 -0.21 1 64 TYR -4.79 -1.22 1 66 TYR -6.42 -0.97 1 67 VAL -4.36 -0.87 1 69 HIS -5.58 -0.70 1 70 LYS 3.48 -1.18 1 71 ILE 0.78 -0.03 1 72 ASP -0.98 -1.96 1 73 SER -1.53 -2.74 1 74 ILE -2.48 0.02 1 75 ASP 2.91 0.72 1 76 LYS 2.07 0.18 1 77 GLU -1.41 -1.84 1 78 ASN 3.89 -1.17 1 79 HIS -4.69 -1.76 1 80 SER -6.22 -2.20 1 81 TYR -3.27 -2.17 1 82 SER -3.21 -3.68 1 83 TYR -2.07 -1.20 1 84 THR -0.45 -2.26 1 85 LEU -1.11 -0.24 1 86 ILE -4.85 -2.70 1 87 GLU 3.15 1.62 1 89 ASP 1.24 0.43 1 90 ALA 2.56 -0.33 1 91 LEU -0.06 0.89 1 93 ASP -0.15 -0.58 1 94 ASN -2.77 -1.85 1 95 LEU -1.02 -0.63 1 96 GLU -0.95 -2.60 1 97 LYS -3.36 -1.71 1 98 ILE -2.14 1.06 1 99 SER -3.54 0.53 1 100 TYR -3.94 -4.78 1 101 GLU -1.34 -1.94 1 102 THR -4.08 -2.30 1 103 LYS -1.69 -1.72 1 104 LEU -4.50 -1.37 1 105 VAL 1.00 -0.16 1 106 ALA -4.48 0.12 1 107 SER 0.03 0.35 1 109 SER -2.76 -1.09 1 112 SER -0.22 -1.51 1 113 ILE 0.26 -1.56 1 114 ILE -1.01 -0.63 1 115 LYS -2.53 -0.83 1 116 SER -0.15 -1.26 1 117 THR -4.69 -2.24 1 118 SER -3.84 0.26 1 119 HIS -0.56 -0.97 1 120 TYR -1.75 1.83 1 121 HIS -1.95 0.38 1 122 THR -0.02 -0.03 1 123 LYS 0.41 -0.50 1 125 ASP -0.94 -0.99 1 126 VAL -2.32 -0.84 1 127 GLU -1.64 -1.14 1 128 ILE -0.46 0.91 1 129 LYS 3.43 1.90 1 130 GLU 3.76 2.01 1 131 GLU 1.28 4.25 1 132 HIS 3.82 2.74 1 133 VAL 4.19 2.12 1 134 LYS 3.65 3.10 1 135 ALA 3.69 2.28 1 137 LYS 3.05 2.31 1 138 GLU 3.91 2.90 1 139 LYS 3.38 1.56 1 140 ALA 3.49 2.66 1 141 SER 3.54 2.27 1 142 ASN 4.53 1.01 1 143 LEU 6.42 2.49 1 144 PHE 4.26 2.72 1 145 LYS 3.35 2.97 1 146 LEU 5.24 0.76 1 147 ILE 3.48 1.53 1 148 GLU 6.13 2.51 1 149 THR 4.93 2.96 1 150 TYR 4.11 2.74 1 151 LEU 3.82 1.93 1 152 LYS 1.82 0.01 1 154 HIS 0.31 0.05 1 156 ASP -0.67 -0.09 1 stop_ save_