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 bmr18726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.24 _LACS_plot.Line_1_terminator_val_y_1 -2.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 7.03 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 ILE 0.39 -1.63 0 105 VAL -5.24 -3.09 0 58 ARG 4.23 0.89 0 10 SER -0.99 0.09 1 11 LEU 4.68 3.87 1 13 ASP 3.91 3.77 1 14 GLN 3.90 3.70 1 15 LEU 2.62 2.62 1 16 THR 8.92 7.09 1 17 SER 4.50 3.60 1 18 THR 6.95 5.95 1 19 LEU 2.97 3.17 1 20 ALA 4.91 3.23 1 21 SER 4.47 3.78 1 22 ALA 3.12 2.42 1 23 LEU 2.82 2.63 1 24 THR 7.11 6.17 1 25 LYS -0.51 0.66 1 26 THR -0.51 -0.14 1 27 ASN 4.02 4.15 1 28 THR 6.63 7.00 1 29 LEU 3.68 2.26 1 30 LYS 5.77 4.88 1 31 ALA 2.93 2.39 1 32 VAL 6.22 5.22 1 33 SER 4.45 3.86 1 34 ALA 2.42 2.00 1 35 SER 1.17 1.75 1 36 LYS 4.30 2.66 1 38 SER -1.28 -0.56 1 39 ALA 3.42 3.27 1 40 ASN 4.42 3.30 1 41 VAL 5.98 4.43 1 42 ALA 4.80 3.76 1 43 VAL 6.36 5.56 1 44 ALA 4.56 3.55 1 45 ILE 4.56 5.16 1 46 VAL 5.64 4.87 1 47 THR 6.37 5.35 1 48 SER 4.61 3.88 1 50 LEU 2.20 2.68 1 51 LYS 5.18 4.40 1 52 LYS 2.74 2.13 1 53 ALA 1.99 3.04 1 54 LEU 4.80 2.83 1 56 ALA 2.80 2.07 1 57 LEU -1.95 -0.14 1 60 ASN 0.12 1.12 1 61 ALA 3.44 3.27 1 63 VAL 5.26 3.96 1 64 SER 5.65 4.58 1 65 SER 4.36 3.36 1 66 GLN 3.97 3.55 1 67 LEU 4.40 5.38 1 68 THR 7.74 5.91 1 69 SER 4.82 3.92 1 70 ALA 2.95 2.92 1 71 VAL 5.15 4.22 1 72 SER 5.44 4.93 1 73 GLN 3.73 3.14 1 74 ALA 2.44 2.82 1 75 VAL 5.78 4.39 1 76 ALA 3.07 2.01 1 77 ASN -1.11 -0.11 1 78 VAL 2.14 0.84 1 79 ARG 0.85 0.49 1 82 SER 1.30 2.21 1 83 SER 1.14 0.85 1 85 ALA 2.21 2.09 1 86 VAL 5.19 4.11 1 87 TYR 4.65 5.77 1 88 ALA 1.59 3.28 1 89 LYS 4.74 3.96 1 90 ALA 2.52 1.87 1 91 ILE 0.73 2.27 1 92 ALA 1.46 3.29 1 93 ALA 8.94 6.26 1 95 SER 5.19 4.43 1 96 VAL 7.41 5.44 1 97 GLN 5.26 4.12 1 98 ILE 3.29 2.10 1 99 LEU 5.26 4.07 1 100 VAL 5.44 4.30 1 101 SER 5.16 4.09 1 102 SER -1.14 1.00 1 104 SER 2.99 3.23 1 106 ASN -3.04 -1.26 1 107 ASN 4.41 3.79 1 108 ASN 1.85 2.21 1 109 ASN -1.34 -1.15 1 110 ALA 4.15 4.56 1 111 LYS 4.86 4.08 1 112 GLN 4.50 3.44 1 113 VAL 5.35 4.30 1 114 ALA 4.31 3.38 1 115 SER 4.16 3.65 1 116 THR 6.36 5.39 1 117 LEU 3.11 3.92 1 118 SER 5.39 5.55 1 119 GLU 4.53 3.83 1 120 ASN 2.53 4.42 1 121 LEU 2.43 3.52 1 122 VAL 6.61 5.53 1 123 ARG 4.66 4.55 1 124 GLU 1.94 0.99 1 125 MET 4.21 5.44 1 126 ALA 3.63 3.48 1 127 ASN 3.36 3.38 1 128 THR 6.82 5.27 1 129 ALA 5.64 3.32 1 130 ARG 4.40 3.73 1 131 ARG 3.83 2.24 1 132 TYR 0.59 -0.15 1 133 ARG 4.89 1.86 1 134 VAL 1.12 -0.10 1 135 ASN -0.89 -0.31 1 136 VAL -0.66 -0.16 1 138 GLU 4.58 3.83 1 139 ALA 3.63 2.84 1 140 SER 4.55 3.37 1 141 VAL 6.06 4.67 1 142 GLN 5.04 3.45 1 143 ALA 3.91 2.73 1 144 ASP 2.65 3.28 1 145 VAL 6.71 5.44 1 146 SER 4.69 3.89 1 147 LEU 3.86 3.92 1 148 VAL 6.11 3.97 1 149 THR 4.87 3.87 1 150 SER 4.65 3.78 1 151 MET 2.86 3.79 1 152 THR 3.52 2.86 1 153 SER 2.63 2.68 1 154 THR -0.30 -0.54 1 155 PHE 0.86 1.21 1 156 VAL -2.48 -0.97 1 157 ILE -0.39 -0.44 1 158 SER -0.62 -0.16 1 159 SER -0.21 0.18 1 160 GLN 0.48 0.40 1 161 THR 0.23 0.24 1 162 SER -0.12 0.15 1 163 VAL 0.43 0.35 1 164 GLN 0.20 0.17 1 165 MET 0.26 0.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.24 _LACS_plot.Line_1_terminator_val_y_1 2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 -1.91 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 ILE 0.39 -2.02 0 105 VAL -5.24 2.15 0 58 ARG 4.23 -3.34 0 10 SER -0.99 1.08 1 11 LEU 4.68 -0.81 1 13 ASP 3.91 -0.14 1 14 GLN 3.90 -0.20 1 15 LEU 2.62 0.00 1 16 THR 8.92 -1.83 1 17 SER 4.50 -0.90 1 18 THR 6.95 -1.00 1 19 LEU 2.97 0.20 1 20 ALA 4.91 -1.68 1 21 SER 4.47 -0.69 1 22 ALA 3.12 -0.70 1 23 LEU 2.82 -0.19 1 24 THR 7.11 -0.94 1 25 LYS -0.51 1.17 1 26 THR -0.51 0.37 1 27 ASN 4.02 0.13 1 28 THR 6.63 0.37 1 29 LEU 3.68 -1.42 1 30 LYS 5.77 -0.89 1 31 ALA 2.93 -0.54 1 32 VAL 6.22 -1.00 1 33 SER 4.45 -0.59 1 34 ALA 2.42 -0.42 1 35 SER 1.17 0.58 1 36 LYS 4.30 -1.64 1 38 SER -1.28 0.72 1 39 ALA 3.42 -0.15 1 40 ASN 4.42 -1.12 1 41 VAL 5.98 -1.55 1 42 ALA 4.80 -1.04 1 43 VAL 6.36 -0.80 1 44 ALA 4.56 -1.01 1 45 ILE 4.56 0.60 1 46 VAL 5.64 -0.77 1 47 THR 6.37 -1.02 1 48 SER 4.61 -0.73 1 50 LEU 2.20 0.48 1 51 LYS 5.18 -0.78 1 52 LYS 2.74 -0.61 1 53 ALA 1.99 1.05 1 54 LEU 4.80 -1.97 1 56 ALA 2.80 -0.73 1 57 LEU -1.95 1.81 1 60 ASN 0.12 1.00 1 61 ALA 3.44 -0.17 1 63 VAL 5.26 -1.30 1 64 SER 5.65 -1.07 1 65 SER 4.36 -1.00 1 66 GLN 3.97 -0.42 1 67 LEU 4.40 0.98 1 68 THR 7.74 -1.83 1 69 SER 4.82 -0.90 1 70 ALA 2.95 -0.03 1 71 VAL 5.15 -0.93 1 72 SER 5.44 -0.51 1 73 GLN 3.73 -0.59 1 74 ALA 2.44 0.38 1 75 VAL 5.78 -1.39 1 76 ALA 3.07 -1.06 1 77 ASN -1.11 1.00 1 78 VAL 2.14 -1.30 1 79 ARG 0.85 -0.36 1 82 SER 1.30 0.91 1 83 SER 1.14 -0.29 1 85 ALA 2.21 -0.12 1 86 VAL 5.19 -1.08 1 87 TYR 4.65 1.12 1 88 ALA 1.59 1.69 1 89 LYS 4.74 -0.78 1 90 ALA 2.52 -0.65 1 91 ILE 0.73 1.54 1 92 ALA 1.46 1.83 1 93 ALA 8.94 -2.68 1 95 SER 5.19 -0.76 1 96 VAL 7.41 -1.97 1 97 GLN 5.26 -1.14 1 98 ILE 3.29 -1.19 1 99 LEU 5.26 -1.19 1 100 VAL 5.44 -1.14 1 101 SER 5.16 -1.07 1 102 SER -1.14 2.14 1 104 SER 2.99 0.24 1 106 ASN -3.04 1.78 1 107 ASN 4.41 -0.62 1 108 ASN 1.85 0.36 1 109 ASN -1.34 0.19 1 110 ALA 4.15 0.41 1 111 LYS 4.86 -0.78 1 112 GLN 4.50 -1.06 1 113 VAL 5.35 -1.05 1 114 ALA 4.31 -0.93 1 115 SER 4.16 -0.51 1 116 THR 6.36 -0.97 1 117 LEU 3.11 0.81 1 118 SER 5.39 0.16 1 119 GLU 4.53 -0.70 1 120 ASN 2.53 1.89 1 121 LEU 2.43 1.09 1 122 VAL 6.61 -1.08 1 123 ARG 4.66 -0.11 1 124 GLU 1.94 -0.95 1 125 MET 4.21 1.23 1 126 ALA 3.63 -0.15 1 127 ASN 3.36 0.02 1 128 THR 6.82 -1.55 1 129 ALA 5.64 -2.32 1 130 ARG 4.40 -0.67 1 131 ARG 3.83 -1.59 1 132 TYR 0.59 -0.74 1 133 ARG 4.89 -3.03 1 134 VAL 1.12 -1.22 1 135 ASN -0.89 0.58 1 136 VAL -0.66 0.50 1 138 GLU 4.58 -0.75 1 139 ALA 3.63 -0.79 1 140 SER 4.55 -1.18 1 141 VAL 6.06 -1.39 1 142 GLN 5.04 -1.59 1 143 ALA 3.91 -1.18 1 144 ASP 2.65 0.63 1 145 VAL 6.71 -1.27 1 146 SER 4.69 -0.80 1 147 LEU 3.86 0.06 1 148 VAL 6.11 -2.14 1 149 THR 4.87 -1.00 1 150 SER 4.65 -0.87 1 151 MET 2.86 0.93 1 152 THR 3.52 -0.66 1 153 SER 2.63 0.05 1 154 THR -0.30 -0.24 1 155 PHE 0.86 0.35 1 156 VAL -2.48 1.51 1 157 ILE -0.39 -0.05 1 158 SER -0.62 0.46 1 159 SER -0.21 0.39 1 160 GLN 0.48 -0.08 1 161 THR 0.23 0.01 1 162 SER -0.12 0.27 1 163 VAL 0.43 -0.08 1 164 GLN 0.20 -0.03 1 165 MET 0.26 0.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18726_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.24 _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 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 VAL -5.24 0.76 0 10 SER -0.99 0.03 1 11 LEU 4.68 -0.25 1 13 ASP 3.91 -0.27 1 14 GLN 3.90 -0.18 1 15 LEU 2.62 -0.54 1 16 THR 8.92 -0.84 1 17 SER 4.50 -0.32 1 18 THR 6.95 -0.43 1 19 LEU 2.97 -0.45 1 20 ALA 4.91 -0.50 1 21 SER 4.47 -0.42 1 22 ALA 3.12 -0.15 1 23 LEU 2.82 -0.46 1 24 THR 7.11 -0.96 1 25 LYS -0.51 -0.18 1 26 THR -0.51 -0.26 1 27 ASN 4.02 -0.44 1 28 THR 6.63 -0.63 1 29 LEU 3.68 -0.42 1 30 LYS 5.77 -0.48 1 31 ALA 2.93 -0.20 1 32 VAL 6.22 -0.88 1 33 SER 4.45 -0.82 1 34 ALA 2.42 -0.14 1 35 SER 1.17 -0.17 1 36 LYS 4.30 -0.60 1 38 SER -1.28 -0.18 1 39 ALA 3.42 0.03 1 40 ASN 4.42 -0.47 1 41 VAL 5.98 -0.95 1 42 ALA 4.80 -0.73 1 43 VAL 6.36 -0.80 1 44 ALA 4.56 -0.28 1 45 ILE 4.56 -0.61 1 46 VAL 5.64 -0.55 1 47 THR 6.37 -0.52 1 48 SER 4.61 -0.20 1 50 LEU 2.20 -0.43 1 51 LYS 5.18 -0.47 1 52 LYS 2.74 -0.16 1 53 ALA 1.99 -0.49 1 54 LEU 4.80 -0.44 1 56 ALA 2.80 -0.14 1 57 LEU -1.95 -0.16 1 58 ARG 4.23 -0.42 1 59 ILE 0.39 -0.12 1 60 ASN 0.12 -0.31 1 61 ALA 3.44 -0.26 1 63 VAL 5.26 -0.43 1 64 SER 5.65 -0.48 1 65 SER 4.36 -0.23 1 66 GLN 3.97 -0.29 1 67 LEU 4.40 -0.36 1 68 THR 7.74 -0.68 1 69 SER 4.82 -0.24 1 70 ALA 2.95 -0.14 1 71 VAL 5.15 -0.35 1 72 SER 5.44 -0.55 1 73 GLN 3.73 -0.40 1 74 ALA 2.44 -0.17 1 75 VAL 5.78 -0.67 1 76 ALA 3.07 -0.36 1 77 ASN -1.11 -0.09 1 78 VAL 2.14 -0.53 1 79 ARG 0.85 -0.26 1 82 SER 1.30 0.01 1 83 SER 1.14 -0.09 1 85 ALA 2.21 0.19 1 86 VAL 5.19 -0.51 1 87 TYR 4.65 -0.68 1 88 ALA 1.59 -0.61 1 89 LYS 4.74 -0.51 1 90 ALA 2.52 -0.30 1 91 ILE 0.73 -0.31 1 92 ALA 1.46 -0.54 1 93 ALA 8.94 -0.31 1 95 SER 5.19 -0.61 1 96 VAL 7.41 -0.89 1 97 GLN 5.26 -0.47 1 98 ILE 3.29 -0.12 1 99 LEU 5.26 -0.53 1 100 VAL 5.44 -0.25 1 101 SER 5.16 -0.24 1 102 SER -1.14 -0.03 1 104 SER 2.99 -0.18 1 106 ASN -3.04 -0.11 1 107 ASN 4.41 -0.45 1 108 ASN 1.85 -0.03 1 109 ASN -1.34 0.38 1 110 ALA 4.15 -0.57 1 111 LYS 4.86 -0.33 1 112 GLN 4.50 -0.25 1 113 VAL 5.35 -0.55 1 114 ALA 4.31 -0.51 1 115 SER 4.16 -0.17 1 116 THR 6.36 -0.30 1 117 LEU 3.11 -0.42 1 118 SER 5.39 -0.72 1 119 GLU 4.53 -0.61 1 120 ASN 2.53 -0.36 1 121 LEU 2.43 -0.40 1 122 VAL 6.61 -0.56 1 123 ARG 4.66 -0.57 1 124 GLU 1.94 0.28 1 125 MET 4.21 -0.43 1 126 ALA 3.63 -0.50 1 127 ASN 3.36 -0.28 1 128 THR 6.82 -0.39 1 129 ALA 5.64 -0.36 1 130 ARG 4.40 -0.15 1 131 ARG 3.83 -0.26 1 132 TYR 0.59 0.02 1 133 ARG 4.89 -0.55 1 134 VAL 1.12 -0.12 1 135 ASN -0.89 -0.08 1 136 VAL -0.66 -0.15 1 138 GLU 4.58 -0.41 1 139 ALA 3.63 -0.14 1 140 SER 4.55 -0.14 1 141 VAL 6.06 -0.62 1 142 GLN 5.04 -0.41 1 143 ALA 3.91 -0.14 1 144 ASP 2.65 -0.22 1 145 VAL 6.71 -0.58 1 146 SER 4.69 -0.38 1 147 LEU 3.86 -0.16 1 148 VAL 6.11 -0.16 1 149 THR 4.87 -0.19 1 150 SER 4.65 -0.18 1 151 MET 2.86 -0.25 1 152 THR 3.52 -0.30 1 153 SER 2.63 -0.08 1 154 THR -0.30 0.06 1 155 PHE 0.86 -0.18 1 156 VAL -2.48 -0.18 1 157 ILE -0.39 -0.16 1 158 SER -0.62 0.01 1 159 SER -0.21 -0.02 1 160 GLN 0.48 -0.01 1 161 THR 0.23 -0.01 1 162 SER -0.12 -0.01 1 163 VAL 0.43 -0.03 1 164 GLN 0.20 -0.03 1 165 MET 0.26 -0.01 1 stop_ save_