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 bmr4814_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.70 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 8.46 _LACS_plot.Line_2_terminator_val_y_2 6.62 _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 55 ILE 5.54 0.50 0 69 HIS -4.70 0.00 0 10 ILE 1.78 0.75 1 11 ALA 4.45 3.36 1 12 GLU 2.99 2.47 1 13 ALA 3.77 2.47 1 14 VAL 5.82 4.30 1 15 GLN 5.10 3.86 1 16 GLN 4.23 3.00 1 17 LEU 4.27 3.63 1 18 ASN 4.38 4.23 1 19 HIS 3.58 4.35 1 20 THR 6.53 5.40 1 21 ILE 6.55 5.32 1 22 VAL 5.83 4.41 1 23 ASN 4.10 2.93 1 24 ALA 4.29 3.30 1 25 ALA 4.00 2.61 1 26 HIS 3.43 3.70 1 27 GLU 1.82 1.23 1 28 LEU 3.28 2.81 1 29 HIS 4.33 4.26 1 30 GLU 1.80 1.20 1 31 THR 4.26 3.40 1 32 LEU 3.07 1.26 1 34 LEU 2.28 1.12 1 36 THR -2.28 -1.83 1 38 ASP 3.73 2.92 1 39 GLU 2.43 2.53 1 40 ALA 2.59 2.79 1 41 LEU 3.82 3.13 1 42 ASN 4.15 3.44 1 43 LEU 3.37 2.88 1 44 LEU 2.86 2.98 1 45 THR 6.51 5.33 1 46 GLU 3.23 3.15 1 47 GLN 3.88 1.72 1 48 ALA 3.51 3.24 1 49 ASN 4.03 3.24 1 50 ALA 4.16 2.93 1 51 PHE 4.23 4.28 1 52 LYS 5.19 4.45 1 53 THR 6.28 5.09 1 54 LYS 3.62 2.20 1 56 ALA 4.05 2.49 1 57 GLU 3.73 3.10 1 58 VAL 5.68 4.45 1 59 THR 6.80 4.71 1 60 THR 7.04 5.63 1 61 SER 1.23 4.26 1 62 LEU 2.85 3.01 1 63 LYS 4.80 3.59 1 64 GLN 4.26 3.00 1 65 GLU 3.15 1.83 1 66 ALA 4.12 3.47 1 67 GLU 1.29 1.33 1 68 LYS 1.04 0.56 1 70 GLN -3.38 -1.05 1 72 SER 4.34 3.32 1 73 VAL 5.19 3.62 1 74 ALA 3.44 2.89 1 75 GLU 3.00 2.67 1 76 GLN 3.37 2.96 1 77 LEU 3.19 3.37 1 78 ASN 3.90 3.69 1 79 ALA 4.14 2.89 1 80 PHE 1.72 1.06 1 81 ALA 3.59 2.88 1 82 ARG 4.27 3.39 1 83 ASN 4.33 2.49 1 84 LEU 3.30 3.06 1 85 ASN 3.55 3.20 1 86 ASN 3.10 2.19 1 87 SER 3.63 3.66 1 88 ILE -0.38 -0.42 1 89 HIS 1.70 2.69 1 90 ASP -0.12 -0.03 1 91 ALA 0.09 0.10 1 92 ALA -0.36 -0.22 1 93 THR 0.11 -0.13 1 94 SER -0.44 -0.18 1 95 LEU -0.15 -0.28 1 96 ASN -2.19 -0.84 1 97 LEU 4.60 4.00 1 98 GLN 5.22 3.79 1 99 ASP 3.77 2.98 1 100 GLN 3.37 2.72 1 101 LEU 4.84 4.17 1 102 ASN 3.86 3.23 1 103 SER 4.11 3.17 1 104 LEU 3.23 2.50 1 105 GLN 5.50 4.77 1 106 SER 4.42 3.35 1 107 ALA 3.86 3.28 1 108 LEU 4.14 3.83 1 109 THR 5.73 4.46 1 110 ASN 4.50 3.44 1 111 VAL 6.51 5.35 1 113 HIS 3.42 3.84 1 114 GLN 3.40 3.60 1 115 TRP 2.03 1.03 1 116 GLN 4.61 3.53 1 117 ASP 3.20 3.33 1 118 ILE 3.50 1.52 1 119 ALA 3.91 2.83 1 120 THR 5.11 4.07 1 121 LYS 3.36 2.97 1 122 THR 2.60 1.96 1 123 GLN 0.70 0.89 1 124 ALA 0.27 0.45 1 125 SER -0.15 0.11 1 126 ALA 0.64 0.24 1 127 GLN 3.27 2.64 1 128 GLU 2.99 2.23 1 129 ALA 1.90 1.34 1 130 TRP 0.02 0.26 1 131 ALA 8.46 6.40 1 133 VAL -1.26 -1.51 1 134 GLN 5.58 4.60 1 135 SER 3.52 1.86 1 136 ALA 3.54 2.31 1 137 LEU 2.78 3.09 1 138 GLN 5.70 4.17 1 139 GLU 2.96 2.73 1 140 ALA 2.87 2.34 1 141 ALA 5.31 2.78 1 142 GLU 3.84 2.99 1 143 LYS 3.78 3.23 1 144 THR 7.39 5.74 1 145 LYS 5.89 4.53 1 146 GLU 2.97 2.56 1 147 ALA 3.68 2.66 1 148 ALA 3.60 2.70 1 149 ALA 3.37 2.39 1 150 ASN 3.48 2.94 1 151 LEU 4.74 3.69 1 152 GLN 5.39 3.94 1 153 ASN 3.56 2.89 1 154 SER 4.70 3.63 1 155 ILE 5.25 3.04 1 156 GLN 4.46 3.72 1 157 SER 3.28 2.63 1 158 ALA 0.58 1.62 1 159 VAL 1.35 0.68 1 160 GLN 0.80 0.08 1 161 LYS 0.45 0.04 1 163 ALA -0.42 -0.20 1 164 ASN -0.03 1.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4814_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.70 _LACS_plot.Line_1_terminator_val_y_1 2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 8.46 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _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 55 ILE 5.54 -5.04 0 69 HIS -4.70 4.70 0 10 ILE 1.78 -1.03 1 11 ALA 4.45 -1.09 1 12 GLU 2.99 -0.52 1 13 ALA 3.77 -1.30 1 14 VAL 5.82 -1.52 1 15 GLN 5.10 -1.24 1 16 GLN 4.23 -1.23 1 17 LEU 4.27 -0.64 1 18 ASN 4.38 -0.15 1 19 HIS 3.58 0.77 1 20 THR 6.53 -1.13 1 21 ILE 6.55 -1.23 1 22 VAL 5.83 -1.42 1 23 ASN 4.10 -1.17 1 24 ALA 4.29 -0.99 1 25 ALA 4.00 -1.39 1 26 HIS 3.43 0.27 1 27 GLU 1.82 -0.59 1 28 LEU 3.28 -0.47 1 29 HIS 4.33 -0.07 1 30 GLU 1.80 -0.60 1 31 THR 4.26 -0.86 1 32 LEU 3.07 -1.81 1 34 LEU 2.28 -1.16 1 36 THR -2.28 0.45 1 38 ASP 3.73 -0.81 1 39 GLU 2.43 0.10 1 40 ALA 2.59 0.20 1 41 LEU 3.82 -0.69 1 42 ASN 4.15 -0.71 1 43 LEU 3.37 -0.49 1 44 LEU 2.86 0.12 1 45 THR 6.51 -1.18 1 46 GLU 3.23 -0.08 1 47 GLN 3.88 -2.16 1 48 ALA 3.51 -0.27 1 49 ASN 4.03 -0.79 1 50 ALA 4.16 -1.23 1 51 PHE 4.23 0.05 1 52 LYS 5.19 -0.74 1 53 THR 6.28 -1.19 1 54 LYS 3.62 -1.42 1 56 ALA 4.05 -1.56 1 57 GLU 3.73 -0.63 1 58 VAL 5.68 -1.23 1 59 THR 6.80 -2.09 1 60 THR 7.04 -1.41 1 61 SER 1.23 3.03 1 62 LEU 2.85 0.16 1 63 LYS 4.80 -1.21 1 64 GLN 4.26 -1.26 1 65 GLU 3.15 -1.32 1 66 ALA 4.12 -0.65 1 67 GLU 1.29 0.04 1 68 LYS 1.04 -0.48 1 70 GLN -3.38 2.33 1 72 SER 4.34 -1.02 1 73 VAL 5.19 -1.57 1 74 ALA 3.44 -0.55 1 75 GLU 3.00 -0.33 1 76 GLN 3.37 -0.41 1 77 LEU 3.19 0.18 1 78 ASN 3.90 -0.21 1 79 ALA 4.14 -1.25 1 80 PHE 1.72 -0.66 1 81 ALA 3.59 -0.71 1 82 ARG 4.27 -0.88 1 83 ASN 4.33 -1.84 1 84 LEU 3.30 -0.24 1 85 ASN 3.55 -0.35 1 86 ASN 3.10 -0.91 1 87 SER 3.63 0.03 1 88 ILE -0.38 -0.04 1 89 HIS 1.70 0.99 1 90 ASP -0.12 0.09 1 91 ALA 0.09 0.01 1 92 ALA -0.36 0.14 1 93 THR 0.11 -0.24 1 94 SER -0.44 0.26 1 95 LEU -0.15 -0.13 1 96 ASN -2.19 1.35 1 97 LEU 4.60 -0.60 1 98 GLN 5.22 -1.43 1 99 ASP 3.77 -0.79 1 100 GLN 3.37 -0.65 1 101 LEU 4.84 -0.67 1 102 ASN 3.86 -0.63 1 103 SER 4.11 -0.94 1 104 LEU 3.23 -0.73 1 105 GLN 5.50 -0.73 1 106 SER 4.42 -1.07 1 107 ALA 3.86 -0.58 1 108 LEU 4.14 -0.31 1 109 THR 5.73 -1.27 1 110 ASN 4.50 -1.06 1 111 VAL 6.51 -1.16 1 113 HIS 3.42 0.42 1 114 GLN 3.40 0.20 1 115 TRP 2.03 -1.00 1 116 GLN 4.61 -1.08 1 117 ASP 3.20 0.13 1 118 ILE 3.50 -1.98 1 119 ALA 3.91 -1.08 1 120 THR 5.11 -1.04 1 121 LYS 3.36 -0.39 1 122 THR 2.60 -0.64 1 123 GLN 0.70 0.19 1 124 ALA 0.27 0.18 1 125 SER -0.15 0.26 1 126 ALA 0.64 -0.40 1 127 GLN 3.27 -0.63 1 128 GLU 2.99 -0.76 1 129 ALA 1.90 -0.56 1 130 TRP 0.02 0.24 1 131 ALA 8.46 -2.06 1 133 VAL -1.26 -0.25 1 134 GLN 5.58 -0.98 1 135 SER 3.52 -1.66 1 136 ALA 3.54 -1.23 1 137 LEU 2.78 0.31 1 138 GLN 5.70 -1.53 1 139 GLU 2.96 -0.23 1 140 ALA 2.87 -0.53 1 141 ALA 5.31 -2.53 1 142 GLU 3.84 -0.85 1 143 LYS 3.78 -0.55 1 144 THR 7.39 -1.65 1 145 LYS 5.89 -1.36 1 146 GLU 2.97 -0.41 1 147 ALA 3.68 -1.02 1 148 ALA 3.60 -0.90 1 149 ALA 3.37 -0.98 1 150 ASN 3.48 -0.54 1 151 LEU 4.74 -1.05 1 152 GLN 5.39 -1.45 1 153 ASN 3.56 -0.67 1 154 SER 4.70 -1.07 1 155 ILE 5.25 -2.21 1 156 GLN 4.46 -0.74 1 157 SER 3.28 -0.65 1 158 ALA 0.58 1.04 1 159 VAL 1.35 -0.67 1 160 GLN 0.80 -0.72 1 161 LYS 0.45 -0.41 1 163 ALA -0.42 0.22 1 164 ASN -0.03 1.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4814_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.70 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 8.46 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _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 141 ALA 5.31 -1.51 0 10 ILE 1.78 -0.09 1 11 ALA 4.45 -0.47 1 12 GLU 2.99 -0.34 1 13 ALA 3.77 -0.31 1 14 VAL 5.82 -0.60 1 15 GLN 5.10 -0.22 1 16 GLN 4.23 -0.26 1 17 LEU 4.27 -0.26 1 18 ASN 4.38 -0.37 1 19 HIS 3.58 -0.38 1 20 THR 6.53 -0.07 1 21 ILE 6.55 -0.71 1 22 VAL 5.83 0.23 1 23 ASN 4.10 -0.28 1 24 ALA 4.29 -0.47 1 25 ALA 4.00 -0.48 1 26 HIS 3.43 -0.31 1 27 GLU 1.82 -0.28 1 28 LEU 3.28 -0.50 1 29 HIS 4.33 -0.61 1 30 GLU 1.80 -0.26 1 31 THR 4.26 -0.25 1 32 LEU 3.07 -0.26 1 34 LEU 2.28 -0.15 1 36 THR -2.28 0.31 1 38 ASP 3.73 -0.28 1 39 GLU 2.43 -0.26 1 40 ALA 2.59 -0.35 1 41 LEU 3.82 -0.41 1 42 ASN 4.15 -0.35 1 43 LEU 3.37 -0.07 1 44 LEU 2.86 0.13 1 45 THR 6.51 -0.47 1 46 GLU 3.23 0.03 1 47 GLN 3.88 -0.22 1 48 ALA 3.51 -0.19 1 49 ASN 4.03 -0.95 1 50 ALA 4.16 -0.13 1 51 PHE 4.23 -0.31 1 52 LYS 5.19 -0.67 1 53 THR 6.28 -0.04 1 54 LYS 3.62 -0.23 1 55 ILE 5.54 -0.10 1 56 ALA 4.05 -0.06 1 57 GLU 3.73 -0.29 1 58 VAL 5.68 -0.33 1 59 THR 6.80 -0.57 1 60 THR 7.04 -0.01 1 61 SER 1.23 -0.15 1 62 LEU 2.85 -0.19 1 63 LYS 4.80 -0.39 1 64 GLN 4.26 -0.13 1 65 GLU 3.15 -0.28 1 66 ALA 4.12 -0.50 1 67 GLU 1.29 -0.27 1 68 LYS 1.04 -0.26 1 69 HIS -4.70 0.00 1 70 GLN -3.38 0.31 1 72 SER 4.34 -0.44 1 73 VAL 5.19 0.59 1 74 ALA 3.44 -0.49 1 75 GLU 3.00 -0.32 1 76 GLN 3.37 -0.63 1 77 LEU 3.19 -0.19 1 78 ASN 3.90 -0.41 1 79 ALA 4.14 -0.29 1 80 PHE 1.72 -0.11 1 81 ALA 3.59 -0.78 1 82 ARG 4.27 -0.36 1 83 ASN 4.33 -0.35 1 84 LEU 3.30 -0.47 1 85 ASN 3.55 -0.40 1 86 ASN 3.10 -0.54 1 87 SER 3.63 -0.14 1 88 ILE -0.38 0.32 1 89 HIS 1.70 -0.27 1 90 ASP -0.12 -0.08 1 91 ALA 0.09 -0.11 1 92 ALA -0.36 0.05 1 93 THR 0.11 0.00 1 94 SER -0.44 0.00 1 95 LEU -0.15 0.12 1 96 ASN -2.19 -0.34 1 97 LEU 4.60 0.37 1 98 GLN 5.22 -0.52 1 99 ASP 3.77 -0.16 1 100 GLN 3.37 -0.16 1 101 LEU 4.84 -0.49 1 102 ASN 3.86 -0.30 1 103 SER 4.11 -0.21 1 104 LEU 3.23 -0.03 1 105 GLN 5.50 -0.55 1 106 SER 4.42 -0.24 1 107 ALA 3.86 0.03 1 109 THR 5.73 -0.14 1 110 ASN 4.50 -0.12 1 111 VAL 6.51 -0.38 1 113 HIS 3.42 -0.22 1 114 GLN 3.40 -0.02 1 115 TRP 2.03 -0.59 1 116 GLN 4.61 -0.30 1 117 ASP 3.20 -0.30 1 118 ILE 3.50 -0.10 1 119 ALA 3.91 -0.10 1 121 LYS 3.36 -0.34 1 122 THR 2.60 -1.09 1 123 GLN 0.70 -0.13 1 124 ALA 0.27 0.02 1 125 SER -0.15 0.04 1 126 ALA 0.64 0.10 1 127 GLN 3.27 -0.13 1 128 GLU 2.99 -0.19 1 129 ALA 1.90 -0.18 1 130 TRP 0.02 -0.34 1 131 ALA 8.46 -0.30 1 133 VAL -1.26 0.35 1 134 GLN 5.58 -0.40 1 135 SER 3.52 0.24 1 136 ALA 3.54 -0.04 1 137 LEU 2.78 -0.07 1 138 GLN 5.70 -0.65 1 139 GLU 2.96 -0.28 1 140 ALA 2.87 0.04 1 142 GLU 3.84 -0.47 1 143 LYS 3.78 -0.23 1 144 THR 7.39 -0.23 1 145 LYS 5.89 -0.33 1 146 GLU 2.97 -0.30 1 147 ALA 3.68 -0.13 1 148 ALA 3.60 -0.23 1 149 ALA 3.37 -0.20 1 150 ASN 3.48 -0.26 1 151 LEU 4.74 -0.02 1 152 GLN 5.39 -0.02 1 153 ASN 3.56 -0.66 1 154 SER 4.70 -0.32 1 155 ILE 5.25 -0.43 1 156 GLN 4.46 -0.38 1 157 SER 3.28 -0.30 1 158 ALA 0.58 -0.07 1 159 VAL 1.35 -0.08 1 160 GLN 0.80 -0.09 1 161 LYS 0.45 -0.06 1 163 ALA -0.42 -0.02 1 164 ASN -0.03 -0.33 1 stop_ save_