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 bmr25259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.97 _LACS_plot.Line_2_terminator_val_x_2 9.11 _LACS_plot.Line_2_terminator_val_y_2 4.82 _LACS_plot.Y_axis_chem_shift_offset 2.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 LEU -6.57 -3.46 0 114 GLU -5.60 -2.59 0 10 THR 0.38 -2.17 1 11 LEU 0.75 -2.02 1 12 GLN 0.47 -2.13 1 13 SER -0.05 -2.43 1 14 ALA -0.78 -2.80 1 15 LEU -0.27 -2.50 1 17 VAL 0.15 -2.37 1 18 ILE -0.23 -2.78 1 19 GLU -0.79 -2.51 1 20 ASN 0.25 -2.28 1 21 ALA 0.38 -1.81 1 22 GLU 0.59 -2.02 1 23 LYS 0.75 -1.70 1 24 ASN -0.31 -2.44 1 25 THR -0.11 -2.30 1 26 VAL 1.28 -2.01 1 27 VAL -1.86 -3.22 1 28 THR -1.70 -3.06 1 29 LYS -6.42 -4.42 1 30 THR -0.04 -2.02 1 31 LEU -6.05 -5.05 1 32 VAL 0.91 -2.54 1 33 LEU 3.75 -1.10 1 35 LYS 1.43 -1.08 1 36 SER -0.90 -2.97 1 37 ASP 3.54 0.42 1 38 ASP 0.06 -3.41 1 40 SER -0.22 -1.78 1 41 GLN -3.20 -2.29 1 42 GLN -4.55 -3.63 1 43 THR -2.03 -2.94 1 44 GLN -3.54 -4.03 1 45 THR 0.53 -1.73 1 46 ILE -3.78 -2.63 1 47 THR -1.27 -3.25 1 48 TYR -4.80 -4.17 1 49 LYS -3.73 -3.23 1 50 ASP 4.32 0.56 1 51 LYS 0.24 -2.47 1 52 THR -1.50 -2.49 1 53 PHE 1.58 0.29 1 54 LEU 1.02 -0.86 1 55 SER -2.15 -2.48 1 57 ALA -4.16 -4.30 1 58 ILE -2.10 -2.85 1 59 GLN -3.80 -3.54 1 60 GLN -3.76 -3.68 1 61 LYS -2.40 -3.08 1 62 ARG -2.59 -2.91 1 64 VAL 0.02 -2.52 1 65 SER -2.16 -3.40 1 66 ASP 4.24 1.18 1 67 GLU 3.95 0.84 1 68 LEU 2.37 -0.63 1 69 LYS 4.48 1.42 1 70 THR 5.50 2.08 1 71 TYR 4.58 2.33 1 72 ILE 4.32 1.80 1 73 ASP 3.83 0.84 1 74 GLN 0.95 -0.89 1 75 HIS -0.23 -0.93 1 77 VAL 5.81 2.75 1 78 GLU 5.16 1.72 1 79 GLU 2.82 -0.05 1 80 THR 9.12 3.69 1 81 GLN 4.59 1.27 1 82 LYS 4.06 1.11 1 83 ALA 3.75 -0.06 1 84 LEU 3.49 0.40 1 85 LEU 3.96 0.30 1 86 GLU 3.14 0.14 1 87 ALA 3.24 -0.23 1 88 GLU 2.21 0.34 1 89 GLU 1.10 -1.39 1 90 LYS -1.11 -3.18 1 91 ASP -1.48 -3.00 1 92 LYS 4.10 1.02 1 93 SER 4.17 0.65 1 94 ILE 5.30 1.25 1 95 ILE 4.48 1.65 1 96 GLU 2.62 -0.11 1 97 ALA 3.91 -0.20 1 98 ARG 3.15 0.49 1 99 LYS 1.64 -0.96 1 100 LEU 0.25 -3.02 1 101 ALA 1.20 -2.10 1 103 PHE -4.90 -3.93 1 104 LYS -4.36 -3.22 1 105 LEU -4.92 -3.36 1 106 GLU -5.54 -3.81 1 107 THR 1.16 -1.97 1 108 LYS -5.30 -4.01 1 109 LEU -0.25 -2.99 1 110 LEU 0.42 -1.32 1 111 SER -2.44 -4.41 1 112 ALA 1.22 -1.29 1 113 THR -1.22 -3.11 1 115 LEU -5.52 -3.78 1 116 GLN -6.89 -4.00 1 117 THR -2.02 -2.87 1 118 THR -0.52 -2.60 1 119 THR -1.00 -3.34 1 120 SER -3.14 -3.91 1 121 PHE -5.18 -4.51 1 122 ASP -1.74 -4.36 1 123 PHE 4.16 0.10 1 124 GLN 2.65 0.38 1 125 VAL -2.57 -2.90 1 126 LEU -1.58 -1.93 1 127 ASP -0.59 -4.00 1 128 VAL 4.87 1.47 1 129 LYS 4.75 0.59 1 130 LYS 2.71 -0.05 1 131 ALA 2.55 -0.10 1 132 SER 2.76 -0.01 1 133 GLN -1.01 -3.18 1 134 LEU 0.77 -2.78 1 135 GLU 3.38 0.78 1 136 HIS 2.28 1.69 1 137 LEU -0.56 -3.15 1 138 LYS 3.97 0.96 1 139 ASN 1.76 -1.32 1 140 ILE 1.50 -1.53 1 142 LEU 1.88 0.09 1 143 GLU 4.01 0.62 1 144 ASN 2.56 -0.39 1 145 LEU 4.05 1.22 1 146 LEU 1.64 -1.86 1 147 LYS 1.26 -1.58 1 148 ASN -3.92 -3.33 1 149 GLU 0.41 -1.98 1 151 SER 5.32 0.97 1 152 LYS 2.41 -0.43 1 153 TYR 3.88 1.41 1 154 ILE 4.86 2.01 1 155 SER 5.31 1.66 1 156 ASP 3.79 0.56 1 157 ARG 3.01 -0.07 1 158 LEU 3.56 0.11 1 159 ALA 2.12 -1.07 1 160 ASN -1.35 -2.52 1 162 ALA -1.93 -2.97 1 163 THR -3.18 -4.01 1 164 GLU -2.32 -3.01 1 165 GLN -0.67 -0.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.97 _LACS_plot.Line_2_terminator_val_x_2 9.11 _LACS_plot.Line_2_terminator_val_y_2 -4.29 _LACS_plot.Y_axis_chem_shift_offset 2.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 LEU -6.57 3.11 0 114 GLU -5.60 3.01 0 10 THR 0.38 -2.55 1 11 LEU 0.75 -2.77 1 12 GLN 0.47 -2.60 1 13 SER -0.05 -2.38 1 14 ALA -0.78 -2.02 1 15 LEU -0.27 -2.23 1 17 VAL 0.15 -2.52 1 18 ILE -0.23 -2.55 1 19 GLU -0.79 -1.72 1 20 ASN 0.25 -2.53 1 21 ALA 0.38 -2.19 1 22 GLU 0.59 -2.61 1 23 LYS 0.75 -2.45 1 24 ASN -0.31 -2.13 1 25 THR -0.11 -2.19 1 26 VAL 1.28 -3.29 1 27 VAL -1.86 -1.36 1 28 THR -1.70 -1.36 1 29 LYS -6.42 2.00 1 30 THR -0.04 -1.98 1 31 LEU -6.05 1.00 1 32 VAL 0.91 -3.45 1 33 LEU 3.75 -4.85 1 35 LYS 1.43 -2.51 1 36 SER -0.90 -2.07 1 37 ASP 3.54 -3.12 1 38 ASP 0.06 -3.47 1 40 SER -0.22 -1.56 1 41 GLN -3.20 0.91 1 42 GLN -4.55 0.92 1 43 THR -2.03 -0.91 1 44 GLN -3.54 -0.49 1 45 THR 0.53 -2.26 1 46 ILE -3.78 1.15 1 47 THR -1.27 -1.98 1 48 TYR -4.80 0.63 1 49 LYS -3.73 0.50 1 50 ASP 4.32 -3.76 1 51 LYS 0.24 -2.71 1 52 THR -1.50 -0.99 1 53 PHE 1.58 -1.29 1 54 LEU 1.02 -1.88 1 55 SER -2.15 -0.33 1 57 ALA -4.16 -0.14 1 58 ILE -2.10 -0.75 1 59 GLN -3.80 0.26 1 60 GLN -3.76 0.08 1 61 LYS -2.40 -0.68 1 62 ARG -2.59 -0.32 1 64 VAL 0.02 -2.54 1 65 SER -2.16 -1.24 1 66 ASP 4.24 -3.06 1 67 GLU 3.95 -3.11 1 68 LEU 2.37 -3.00 1 69 LYS 4.48 -3.06 1 70 THR 5.50 -3.42 1 71 TYR 4.58 -2.25 1 72 ILE 4.32 -2.52 1 73 ASP 3.83 -2.99 1 74 GLN 0.95 -1.84 1 75 HIS -0.23 -0.70 1 77 VAL 5.81 -3.06 1 78 GLU 5.16 -3.44 1 79 GLU 2.82 -2.87 1 80 THR 9.12 -5.43 1 81 GLN 4.59 -3.32 1 82 LYS 4.06 -2.95 1 83 ALA 3.75 -3.81 1 84 LEU 3.49 -3.09 1 85 LEU 3.96 -3.66 1 86 GLU 3.14 -3.00 1 87 ALA 3.24 -3.47 1 88 GLU 2.21 -1.87 1 89 GLU 1.10 -2.49 1 90 LYS -1.11 -2.07 1 91 ASP -1.48 -1.52 1 92 LYS 4.10 -3.08 1 93 SER 4.17 -3.52 1 94 ILE 5.30 -4.05 1 95 ILE 4.48 -2.83 1 96 GLU 2.62 -2.73 1 97 ALA 3.91 -4.11 1 98 ARG 3.15 -2.66 1 99 LYS 1.64 -2.60 1 100 LEU 0.25 -3.27 1 101 ALA 1.20 -3.30 1 103 PHE -4.90 0.97 1 104 LYS -4.36 1.14 1 105 LEU -4.92 1.56 1 106 GLU -5.54 1.73 1 107 THR 1.16 -3.13 1 108 LYS -5.30 1.29 1 109 LEU -0.25 -2.74 1 110 LEU 0.42 -1.74 1 111 SER -2.44 -1.97 1 112 ALA 1.22 -2.51 1 113 THR -1.22 -1.89 1 115 LEU -5.52 1.74 1 116 GLN -6.89 2.89 1 117 THR -2.02 -0.85 1 118 THR -0.52 -2.08 1 119 THR -1.00 -2.34 1 120 SER -3.14 -0.77 1 121 PHE -5.18 0.67 1 122 ASP -1.74 -2.62 1 123 PHE 4.16 -4.06 1 124 GLN 2.65 -2.27 1 125 VAL -2.57 -0.33 1 126 LEU -1.58 -0.35 1 127 ASP -0.59 -3.41 1 128 VAL 4.87 -3.40 1 129 LYS 4.75 -4.16 1 130 LYS 2.71 -2.76 1 131 ALA 2.55 -2.65 1 132 SER 2.76 -2.77 1 133 GLN -1.01 -2.17 1 134 LEU 0.77 -3.55 1 135 GLU 3.38 -2.60 1 136 HIS 2.28 -0.59 1 137 LEU -0.56 -2.59 1 138 LYS 3.97 -3.01 1 139 ASN 1.76 -3.08 1 140 ILE 1.50 -3.03 1 142 LEU 1.88 -1.79 1 143 GLU 4.01 -3.39 1 144 ASN 2.56 -2.95 1 145 LEU 4.05 -2.83 1 146 LEU 1.64 -3.50 1 147 LYS 1.26 -2.84 1 148 ASN -3.92 0.59 1 149 GLU 0.41 -2.39 1 151 SER 5.32 -4.35 1 152 LYS 2.41 -2.84 1 153 TYR 3.88 -2.47 1 154 ILE 4.86 -2.85 1 155 SER 5.31 -3.65 1 156 ASP 3.79 -3.23 1 157 ARG 3.01 -3.08 1 158 LEU 3.56 -3.45 1 159 ALA 2.12 -3.19 1 160 ASN -1.35 -1.17 1 162 ALA -1.93 -1.04 1 163 THR -3.18 -0.83 1 164 GLU -2.32 -0.69 1 165 GLN -0.67 -0.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 9.11 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 THR -1.27 1.70 0 10 THR 0.38 0.00 1 11 LEU 0.75 0.05 1 12 GLN 0.47 0.04 1 13 SER -0.05 0.00 1 14 ALA -0.78 0.11 1 15 LEU -0.27 -0.04 1 17 VAL 0.15 0.01 1 18 ILE -0.23 0.07 1 19 GLU -0.79 -0.01 1 20 ASN 0.25 -0.04 1 21 ALA 0.38 0.00 1 22 GLU 0.59 -0.06 1 23 LYS 0.75 0.01 1 24 ASN -0.31 0.10 1 25 THR -0.11 0.02 1 26 VAL 1.28 0.05 1 27 VAL -1.86 -0.04 1 28 THR -1.70 1.20 1 29 LYS -6.42 0.62 1 30 THR -0.04 1.08 1 31 LEU -6.05 0.88 1 32 VAL 0.91 0.33 1 33 LEU 3.75 -0.12 1 35 LYS 1.43 0.05 1 36 SER -0.90 0.28 1 37 ASP 3.54 -0.19 1 38 ASP 0.06 -0.02 1 40 SER -0.22 0.41 1 41 GLN -3.20 0.59 1 42 GLN -4.55 1.27 1 43 THR -2.03 1.03 1 44 GLN -3.54 1.29 1 45 THR 0.53 1.07 1 46 ILE -3.78 0.83 1 48 TYR -4.80 0.73 1 49 LYS -3.73 0.34 1 50 ASP 4.32 -0.34 1 51 LYS 0.24 0.21 1 52 THR -1.50 0.37 1 53 PHE 1.58 -0.34 1 54 LEU 1.02 0.59 1 55 SER -2.15 0.72 1 56 LEU -6.57 1.20 1 57 ALA -4.16 1.18 1 58 ILE -2.10 0.61 1 59 GLN -3.80 0.91 1 60 GLN -3.76 0.87 1 61 LYS -2.40 1.10 1 62 ARG -2.59 0.35 1 64 VAL 0.02 -0.10 1 65 SER -2.16 0.05 1 66 ASP 4.24 -0.21 1 67 GLU 3.95 -0.16 1 68 LEU 2.37 0.00 1 69 LYS 4.48 -0.31 1 70 THR 5.50 -0.26 1 71 TYR 4.58 -0.34 1 72 ILE 4.32 -0.49 1 73 ASP 3.83 -0.25 1 74 GLN 0.95 -0.20 1 75 HIS -0.23 -0.01 1 77 VAL 5.81 -0.56 1 78 GLU 5.16 -0.20 1 79 GLU 2.82 -0.16 1 80 THR 9.12 -0.29 1 81 GLN 4.59 -0.30 1 82 LYS 4.06 -0.23 1 83 ALA 3.75 -0.10 1 84 LEU 3.49 -0.28 1 85 LEU 3.96 -0.17 1 86 GLU 3.14 -0.27 1 87 ALA 3.24 -0.18 1 88 GLU 2.21 -0.27 1 89 GLU 1.10 -0.26 1 90 LYS -1.11 0.11 1 91 ASP -1.48 0.04 1 92 LYS 4.10 -0.31 1 93 SER 4.17 -0.03 1 94 ILE 5.30 -0.69 1 95 ILE 4.48 -0.57 1 96 GLU 2.62 -0.37 1 97 ALA 3.91 -0.49 1 98 ARG 3.15 -0.03 1 99 LYS 1.64 -0.06 1 100 LEU 0.25 0.00 1 101 ALA 1.20 0.06 1 103 PHE -4.90 0.60 1 104 LYS -4.36 -0.20 1 105 LEU -4.92 0.66 1 106 GLU -5.54 0.49 1 107 THR 1.16 0.76 1 108 LYS -5.30 0.50 1 109 LEU -0.25 0.36 1 110 LEU 0.42 -0.12 1 111 SER -2.44 0.09 1 112 ALA 1.22 -0.01 1 113 THR -1.22 0.31 1 114 GLU -5.60 0.66 1 115 LEU -5.52 0.58 1 116 GLN -6.89 1.37 1 117 THR -2.02 1.00 1 118 THR -0.52 1.18 1 119 THR -1.00 0.53 1 120 SER -3.14 0.86 1 121 PHE -5.18 0.49 1 122 ASP -1.74 0.20 1 123 PHE 4.16 0.05 1 124 GLN 2.65 0.09 1 125 VAL -2.57 0.29 1 126 LEU -1.58 0.13 1 127 ASP -0.59 0.20 1 128 VAL 4.87 -0.60 1 129 LYS 4.75 -0.28 1 130 LYS 2.71 -0.24 1 131 ALA 2.55 -0.39 1 132 SER 2.76 -0.35 1 133 GLN -1.01 0.06 1 134 LEU 0.77 0.05 1 135 GLU 3.38 -0.40 1 136 HIS 2.28 -0.35 1 137 LEU -0.56 0.17 1 138 LYS 3.97 -0.15 1 139 ASN 1.76 -0.07 1 140 ILE 1.50 -0.14 1 142 LEU 1.88 -0.65 1 143 GLU 4.01 -0.56 1 144 ASN 2.56 -0.30 1 145 LEU 4.05 -0.54 1 146 LEU 1.64 -0.46 1 147 LYS 1.26 -0.01 1 148 ASN -3.92 0.22 1 149 GLU 0.41 -0.03 1 151 SER 5.32 -0.64 1 152 LYS 2.41 -0.07 1 153 TYR 3.88 -0.29 1 154 ILE 4.86 -0.80 1 155 SER 5.31 -0.38 1 156 ASP 3.79 -0.21 1 157 ARG 3.01 -0.23 1 158 LEU 3.56 -0.07 1 159 ALA 2.12 0.01 1 160 ASN -1.35 0.25 1 162 ALA -1.93 0.55 1 163 THR -3.18 0.35 1 164 GLU -2.32 0.71 1 165 GLN -0.67 -0.08 1 stop_ save_