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 bmr27642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.90 _LACS_plot.Line_1_terminator_val_y_1 -2.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _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 8.03 _LACS_plot.Line_2_terminator_val_y_2 5.96 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 LEU -4.90 -1.47 0 56 ALA 6.95 2.56 0 129 GLN 5.22 1.20 0 85 HIS 1.65 4.38 0 10 LYS 4.57 3.53 1 11 LEU 3.52 2.57 1 12 GLU 4.90 4.22 1 13 LYS 3.69 2.62 1 14 ASN 0.02 0.46 1 15 SER -0.44 -0.78 1 16 VAL -3.27 -1.39 1 18 LEU 1.32 0.20 1 19 SER -4.38 -2.12 1 20 ASP 4.49 3.75 1 21 ALA 3.40 2.74 1 22 LEU 2.63 2.44 1 23 LEU 4.31 3.10 1 24 ASN 4.45 3.69 1 25 LYS 3.74 3.11 1 26 LEU 3.09 3.36 1 27 ILE 6.40 5.26 1 29 ARG 3.59 1.52 1 30 TYR 4.26 5.56 1 31 SER 4.87 3.66 1 32 GLN 4.02 3.04 1 33 ALA 2.86 1.84 1 34 ILE 4.51 2.50 1 35 GLU 2.22 1.82 1 36 ALA -0.56 0.34 1 37 LEU -4.24 -2.03 1 40 ASP 3.40 1.70 1 41 LYS 0.04 0.55 1 42 TYR -0.04 0.34 1 44 GLN 0.46 -0.77 1 45 ASN -1.51 0.56 1 46 GLU 2.96 3.23 1 47 SER 7.46 5.16 1 48 PHE 3.82 3.65 1 49 ALA 3.42 3.31 1 50 ARG 4.52 3.59 1 51 ILE 5.53 4.98 1 52 GLN 5.58 4.41 1 53 VAL 4.74 3.82 1 54 ARG 3.21 1.09 1 55 PHE 2.95 2.55 1 57 GLU 2.28 2.61 1 58 LEU 2.84 2.23 1 59 LYS 3.74 1.30 1 60 ALA 2.75 1.91 1 61 ILE 3.90 3.27 1 62 GLN 0.94 2.36 1 63 GLU -1.96 -0.48 1 65 ASP 3.69 3.00 1 66 ASP -0.43 0.59 1 67 ALA 2.25 2.35 1 68 ARG 6.36 5.30 1 69 ASP 4.54 3.18 1 70 TYR 5.61 3.56 1 71 PHE 8.03 5.50 1 72 GLN 5.23 3.29 1 73 MET 3.35 3.36 1 74 ALA 4.27 2.56 1 75 ARG 4.41 3.42 1 76 ALA 2.73 2.10 1 77 ASN 0.73 1.89 1 79 LYS 2.72 2.91 1 80 LYS 2.35 1.75 1 81 PHE 0.96 0.74 1 82 ALA 4.86 4.26 1 83 PHE 5.40 3.10 1 84 VAL 4.72 3.14 1 86 ILE 4.82 4.17 1 87 SER 7.57 4.41 1 88 PHE 0.93 -1.03 1 89 ALA 4.27 3.33 1 90 GLN 2.91 2.46 1 91 PHE 4.52 3.08 1 92 GLU 3.54 1.68 1 93 LEU 3.80 3.48 1 94 SER 4.08 3.31 1 95 GLN -0.35 -0.75 1 97 ASN 0.16 -1.83 1 98 VAL 5.28 4.16 1 99 LYS 5.13 3.69 1 100 LYS 2.83 1.84 1 101 SER 7.76 5.19 1 102 LYS 4.79 4.13 1 103 GLN 4.28 3.44 1 104 LEU 2.75 3.07 1 105 LEU 3.11 2.55 1 106 GLN 4.83 3.68 1 107 LYS 3.52 1.74 1 108 ALA 3.01 2.69 1 109 VAL 5.29 4.28 1 110 GLU 2.64 2.59 1 111 ARG 0.61 -0.54 1 113 ALA 1.20 0.38 1 114 VAL -3.17 -1.41 1 116 LEU 3.92 3.14 1 117 GLU 3.78 3.35 1 118 MET 2.12 3.79 1 119 LEU 3.29 2.56 1 120 GLU 3.68 3.22 1 121 ILE 4.53 4.11 1 122 ALA 2.04 2.33 1 123 LEU 3.25 3.08 1 124 ARG 4.81 3.59 1 125 ASN 4.32 2.67 1 126 LEU 4.27 3.42 1 127 ASN 3.42 2.94 1 128 LEU -0.06 -0.02 1 130 LYS -0.09 -0.02 1 131 LYS 1.08 0.52 1 132 GLN -2.95 -1.98 1 133 LEU 2.79 2.17 1 135 SER -2.92 -1.33 1 136 GLU 3.90 3.07 1 137 GLU 3.51 2.96 1 138 GLU 2.33 2.27 1 139 LYS 4.00 3.54 1 140 LYS 3.27 2.51 1 141 ASN 1.93 1.53 1 142 LEU 1.00 0.85 1 143 SER 0.94 0.84 1 144 ALA 0.33 0.38 1 145 SER 0.41 0.41 1 146 THR 0.65 0.50 1 147 VAL 0.86 0.47 1 148 LEU 0.32 0.20 1 149 THR -0.06 0.04 1 150 ALA 0.30 0.25 1 151 GLN 0.50 0.49 1 152 GLU -0.13 0.26 1 153 SER 0.17 0.17 1 157 SER 0.16 0.15 1 158 LEU 0.60 0.31 1 160 HIS 0.00 1.79 1 161 LEU 0.64 0.24 1 162 GLN 0.50 0.34 1 164 ARG 0.85 -0.41 1 165 ASN 1.51 1.70 1 166 ASN 0.32 1.68 1 169 ASP 0.38 1.03 1 170 SER -3.94 -1.92 1 175 THR 0.78 1.50 1 176 LYS -0.15 -0.08 1 177 ALA -0.04 0.11 1 178 ARG 0.86 1.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.90 _LACS_plot.Line_1_terminator_val_y_1 2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _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 8.03 _LACS_plot.Line_2_terminator_val_y_2 -2.07 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 LEU -4.90 3.43 0 56 ALA 6.95 -4.39 0 129 GLN 5.22 -4.02 0 85 HIS 1.65 2.73 0 10 LYS 4.57 -1.04 1 11 LEU 3.52 -0.95 1 12 GLU 4.90 -0.68 1 13 LYS 3.69 -1.07 1 14 ASN 0.02 0.44 1 15 SER -0.44 -0.34 1 16 VAL -3.27 1.88 1 18 LEU 1.32 -1.12 1 19 SER -4.38 2.26 1 20 ASP 4.49 -0.74 1 21 ALA 3.40 -0.66 1 22 LEU 2.63 -0.19 1 23 LEU 4.31 -1.21 1 24 ASN 4.45 -0.76 1 25 LYS 3.74 -0.63 1 26 LEU 3.09 0.27 1 27 ILE 6.40 -1.14 1 29 ARG 3.59 -2.07 1 30 TYR 4.26 1.30 1 31 SER 4.87 -1.21 1 32 GLN 4.02 -0.98 1 33 ALA 2.86 -1.02 1 34 ILE 4.51 -2.01 1 35 GLU 2.22 -0.40 1 36 ALA -0.56 0.90 1 37 LEU -4.24 2.21 1 40 ASP 3.40 -1.70 1 41 LYS 0.04 0.51 1 42 TYR -0.04 0.38 1 44 GLN 0.46 -1.23 1 45 ASN -1.51 2.07 1 46 GLU 2.96 0.27 1 47 SER 7.46 -2.30 1 48 PHE 3.82 -0.17 1 49 ALA 3.42 -0.11 1 50 ARG 4.52 -0.93 1 51 ILE 5.53 -0.55 1 52 GLN 5.58 -1.17 1 53 VAL 4.74 -0.92 1 54 ARG 3.21 -2.12 1 55 PHE 2.95 -0.40 1 57 GLU 2.28 0.33 1 58 LEU 2.84 -0.61 1 59 LYS 3.74 -2.44 1 60 ALA 2.75 -0.84 1 61 ILE 3.90 -0.63 1 62 GLN 0.94 1.42 1 63 GLU -1.96 1.48 1 65 ASP 3.69 -0.69 1 66 ASP -0.43 1.02 1 67 ALA 2.25 0.10 1 68 ARG 6.36 -1.06 1 69 ASP 4.54 -1.36 1 70 TYR 5.61 -2.05 1 71 PHE 8.03 -2.53 1 72 GLN 5.23 -1.94 1 73 MET 3.35 0.01 1 74 ALA 4.27 -1.71 1 75 ARG 4.41 -0.99 1 76 ALA 2.73 -0.63 1 77 ASN 0.73 1.16 1 79 LYS 2.72 0.19 1 80 LYS 2.35 -0.60 1 81 PHE 0.96 -0.22 1 82 ALA 4.86 -0.60 1 83 PHE 5.40 -2.30 1 84 VAL 4.72 -1.58 1 86 ILE 4.82 -0.65 1 87 SER 7.57 -3.16 1 88 PHE 0.93 -1.96 1 89 ALA 4.27 -0.94 1 90 GLN 2.91 -0.45 1 91 PHE 4.52 -1.44 1 92 GLU 3.54 -1.86 1 93 LEU 3.80 -0.32 1 94 SER 4.08 -0.77 1 95 GLN -0.35 -0.40 1 97 ASN 0.16 -1.99 1 98 VAL 5.28 -1.12 1 99 LYS 5.13 -1.44 1 100 LYS 2.83 -0.99 1 101 SER 7.76 -2.57 1 102 LYS 4.79 -0.66 1 103 GLN 4.28 -0.84 1 104 LEU 2.75 0.32 1 105 LEU 3.11 -0.56 1 106 GLN 4.83 -1.15 1 107 LYS 3.52 -1.78 1 108 ALA 3.01 -0.32 1 109 VAL 5.29 -1.01 1 110 GLU 2.64 -0.05 1 111 ARG 0.61 -1.15 1 113 ALA 1.20 -0.82 1 114 VAL -3.17 1.76 1 116 LEU 3.92 -0.78 1 117 GLU 3.78 -0.43 1 118 MET 2.12 1.67 1 119 LEU 3.29 -0.73 1 120 GLU 3.68 -0.46 1 121 ILE 4.53 -0.42 1 122 ALA 2.04 0.29 1 123 LEU 3.25 -0.17 1 124 ARG 4.81 -1.22 1 125 ASN 4.32 -1.65 1 126 LEU 4.27 -0.85 1 127 ASN 3.42 -0.48 1 128 LEU -0.06 0.04 1 130 LYS -0.09 0.07 1 131 LYS 1.08 -0.56 1 132 GLN -2.95 0.97 1 133 LEU 2.79 -0.62 1 135 SER -2.92 1.59 1 136 GLU 3.90 -0.83 1 137 GLU 3.51 -0.55 1 138 GLU 2.33 -0.06 1 139 LYS 4.00 -0.46 1 140 LYS 3.27 -0.76 1 141 ASN 1.93 -0.40 1 142 LEU 1.00 -0.15 1 143 SER 0.94 -0.10 1 144 ALA 0.33 0.05 1 145 SER 0.41 0.00 1 146 THR 0.65 -0.15 1 147 VAL 0.86 -0.39 1 148 LEU 0.32 -0.12 1 149 THR -0.06 0.10 1 150 ALA 0.30 -0.05 1 151 GLN 0.50 -0.01 1 152 GLU -0.13 0.39 1 153 SER 0.17 0.00 1 157 SER 0.16 -0.01 1 158 LEU 0.60 -0.29 1 160 HIS 0.00 1.79 1 161 LEU 0.64 -0.40 1 162 GLN 0.50 -0.16 1 164 ARG 0.85 -1.26 1 165 ASN 1.51 0.19 1 166 ASN 0.32 1.36 1 169 ASP 0.38 0.65 1 170 SER -3.94 2.02 1 175 THR 0.78 0.72 1 176 LYS -0.15 0.07 1 177 ALA -0.04 0.15 1 178 ARG 0.86 0.55 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.90 _LACS_plot.Line_1_terminator_val_y_1 -1.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 8.03 _LACS_plot.Line_2_terminator_val_y_2 3.17 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 ARG 0.86 4.65 0 37 LEU -4.24 -4.08 0 10 LYS 4.57 2.14 1 11 LEU 3.52 3.11 1 12 GLU 4.90 2.31 1 13 LYS 3.69 0.89 1 14 ASN 0.02 0.67 1 15 SER -0.44 -3.29 1 16 VAL -3.27 -0.06 1 18 LEU 1.32 -1.97 1 19 SER -4.38 -0.52 1 21 ALA 3.40 3.32 1 22 LEU 2.63 2.16 1 23 LEU 4.31 0.30 1 24 ASN 4.45 3.61 1 25 LYS 3.74 2.46 1 26 LEU 3.09 1.51 1 27 ILE 6.40 2.04 1 29 ARG 3.59 2.86 1 30 TYR 4.26 2.37 1 31 SER 4.87 1.84 1 32 GLN 4.02 1.98 1 33 ALA 2.86 0.22 1 34 ILE 4.51 2.97 1 35 GLU 2.22 0.63 1 36 ALA -0.56 -0.33 1 40 ASP 3.40 1.06 1 41 LYS 0.04 1.73 1 42 TYR -0.04 -0.41 1 44 GLN 0.46 -1.22 1 45 ASN -1.51 -0.24 1 46 GLU 2.96 1.22 1 47 SER 7.46 1.01 1 48 PHE 3.82 0.57 1 49 ALA 3.42 1.59 1 50 ARG 4.52 3.30 1 51 ILE 5.53 0.46 1 52 GLN 5.58 2.70 1 53 VAL 4.74 0.07 1 54 ARG 3.21 1.31 1 55 PHE 2.95 -0.09 1 56 ALA 6.95 -0.08 1 57 GLU 2.28 3.62 1 58 LEU 2.84 2.52 1 59 LYS 3.74 1.46 1 60 ALA 2.75 0.38 1 61 ILE 3.90 1.28 1 62 GLN 0.94 0.52 1 63 GLU -1.96 -1.72 1 65 ASP 3.69 1.61 1 66 ASP -0.43 0.54 1 67 ALA 2.25 1.00 1 68 ARG 6.36 1.23 1 69 ASP 4.54 2.39 1 70 TYR 5.61 3.38 1 71 PHE 8.03 2.12 1 72 GLN 5.23 2.99 1 73 MET 3.35 0.89 1 74 ALA 4.27 0.89 1 75 ARG 4.41 -0.17 1 76 ALA 2.73 2.46 1 77 ASN 0.73 2.71 1 79 LYS 2.72 1.61 1 80 LYS 2.35 -1.03 1 81 PHE 0.96 1.02 1 82 ALA 4.86 1.75 1 83 PHE 5.40 1.29 1 84 VAL 4.72 0.78 1 85 HIS 1.65 4.07 1 86 ILE 4.82 0.09 1 87 SER 7.57 4.35 1 89 ALA 4.27 2.59 1 90 GLN 2.91 1.16 1 91 PHE 4.52 2.90 1 92 GLU 3.54 2.81 1 93 LEU 3.80 3.61 1 94 SER 4.08 0.68 1 95 GLN -0.35 -0.51 1 97 ASN 0.16 -0.12 1 98 VAL 5.28 1.28 1 99 LYS 5.13 2.80 1 100 LYS 2.83 1.47 1 101 SER 7.76 3.46 1 102 LYS 4.79 1.54 1 103 GLN 4.28 2.88 1 104 LEU 2.75 3.15 1 105 LEU 3.11 0.59 1 106 GLN 4.83 3.80 1 107 LYS 3.52 1.50 1 108 ALA 3.01 0.97 1 109 VAL 5.29 3.84 1 110 GLU 2.64 1.97 1 111 ARG 0.61 0.53 1 113 ALA 1.20 -1.80 1 114 VAL -3.17 0.74 1 116 LEU 3.92 1.65 1 117 GLU 3.78 2.10 1 118 MET 2.12 1.23 1 119 LEU 3.29 0.52 1 120 GLU 3.68 3.47 1 121 ILE 4.53 0.60 1 122 ALA 2.04 1.53 1 123 LEU 3.25 1.55 1 124 ARG 4.81 2.67 1 125 ASN 4.32 2.76 1 126 LEU 4.27 3.87 1 127 ASN 3.42 1.75 1 128 LEU -0.06 -1.74 1 129 GLN 5.22 -0.03 1 130 LYS -0.09 0.04 1 131 LYS 1.08 -0.33 1 132 GLN -2.95 -0.64 1 133 LEU 2.79 -1.30 1 134 LEU -4.90 -1.75 1 135 SER -2.92 0.21 1 136 GLU 3.90 2.52 1 137 GLU 3.51 2.11 1 138 GLU 2.33 2.39 1 139 LYS 4.00 2.10 1 140 LYS 3.27 1.69 1 141 ASN 1.93 1.37 1 142 LEU 1.00 0.04 1 143 SER 0.94 -0.12 1 144 ALA 0.33 0.09 1 145 SER 0.41 0.36 1 146 THR 0.65 -0.23 1 147 VAL 0.86 -0.20 1 148 LEU 0.32 -0.07 1 149 THR -0.06 -0.28 1 150 ALA 0.30 0.00 1 151 GLN 0.50 0.30 1 152 GLU -0.13 -0.07 1 153 SER 0.17 -0.33 1 158 LEU 0.60 0.51 1 161 LEU 0.64 -0.24 1 162 GLN 0.50 1.39 1 166 ASN 0.32 4.18 1 169 ASP 0.38 -0.03 1 170 SER -3.94 -0.48 1 175 THR 0.78 4.47 1 176 LYS -0.15 -0.66 1 177 ALA -0.04 -1.12 1 stop_ save_