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 bmr6305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.65 _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 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 6.49 _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 107 LEU -5.30 -1.59 0 82 LEU 3.88 -0.68 0 10 VAL 0.48 0.20 1 11 LEU -0.31 -0.21 1 12 SER -0.27 -0.19 1 13 SER -0.09 0.02 1 17 ALA 0.56 0.64 1 18 ASP 0.69 0.65 1 19 VAL 4.95 3.65 1 21 THR 5.86 4.26 1 22 PHE 5.05 3.96 1 23 LEU 2.86 1.92 1 24 ALA 1.56 1.82 1 25 PHE -1.61 -1.02 1 27 SER -0.64 0.02 1 29 GLU 5.16 3.85 1 30 LYS 1.56 3.43 1 31 LEU 3.83 2.29 1 32 LEU 3.94 2.33 1 33 ARG 2.35 1.72 1 34 LEU 0.88 1.36 1 37 LYS 1.09 -0.84 1 38 SER 3.79 3.07 1 40 VAL 3.80 2.90 1 41 LEU 3.19 2.80 1 42 ILE 5.44 4.56 1 43 ALA 4.95 3.35 1 44 GLN 3.21 2.73 1 45 GLN 0.35 -0.08 1 46 THR 1.18 0.94 1 47 ASP 0.38 -1.10 1 48 THR 2.32 -0.18 1 49 SER 1.10 1.34 1 50 ASP -4.76 -2.11 1 52 GLU 2.72 2.68 1 53 LYS 3.64 2.61 1 54 VAL 6.09 4.87 1 55 VAL 7.23 5.85 1 56 SER 3.92 3.13 1 57 ALA 3.35 3.29 1 58 PHE 4.62 4.50 1 59 LEU 4.14 2.61 1 60 LYS 3.98 3.82 1 61 VAL 5.26 4.71 1 62 SER 4.06 3.57 1 63 SER 3.76 2.99 1 64 VAL -0.56 -2.53 1 65 PHE 3.09 4.38 1 66 LYS -5.61 -2.18 1 67 ASP 1.05 0.32 1 68 GLU -0.87 0.22 1 69 ALA 4.17 4.20 1 70 THR 5.75 4.10 1 71 VAL 4.73 4.02 1 72 THR 3.76 3.31 1 73 MET 3.31 2.44 1 74 ALA 6.25 5.02 1 75 VAL 6.87 4.74 1 76 GLN 4.26 3.26 1 77 ASP 3.75 2.90 1 78 ALA 6.53 5.30 1 79 VAL 4.79 3.73 1 80 ASP 2.60 2.66 1 81 ALA 2.25 2.89 1 83 MET 4.96 3.97 1 84 GLN 3.49 3.04 1 85 LYS 4.61 2.84 1 86 ALA 4.10 2.64 1 87 PHE 0.48 0.71 1 88 ASN -0.59 -0.67 1 89 SER 7.89 4.83 1 90 SER 0.26 0.26 1 91 SER 0.03 0.99 1 92 PHE -0.63 -0.94 1 93 ASN 4.07 3.35 1 94 SER 4.74 4.49 1 95 ASN 6.20 4.56 1 96 THR 4.13 3.99 1 97 PHE 3.54 2.70 1 98 LEU 6.37 5.40 1 99 THR 3.82 0.05 1 100 ARG 5.11 3.52 1 101 LEU 4.41 3.10 1 102 LEU 1.83 0.92 1 103 VAL 3.54 6.04 1 104 HIS -0.28 1.93 1 105 MET -0.08 -0.05 1 108 LEU -0.03 0.11 1 109 LYS -3.35 -1.40 1 110 SER 1.05 0.91 1 111 GLU -0.55 -1.03 1 112 ASP 2.01 0.23 1 113 LYS -1.77 -0.89 1 114 VAL 0.35 -0.61 1 115 LYS -0.75 -0.43 1 116 ALA 0.17 0.08 1 117 ILE 0.79 1.53 1 118 ALA -1.49 -0.80 1 119 ASN -0.15 0.21 1 120 LEU 5.27 5.42 1 121 TYR 3.29 3.34 1 124 LEU 4.87 0.79 1 125 MET 2.39 2.83 1 126 ALA 2.96 3.23 1 127 LEU 3.95 4.05 1 128 ASN 3.90 5.35 1 129 HIS 2.20 4.36 1 130 MET 3.22 0.99 1 131 VAL -1.15 -0.02 1 132 GLN -2.11 -2.19 1 133 GLN 3.32 2.44 1 134 ASP 0.05 -1.46 1 135 TYR -0.26 0.49 1 136 PHE 4.57 3.07 1 138 LYS 2.27 1.71 1 139 ALA -0.01 0.31 1 140 LEU 8.23 6.93 1 141 ALA 3.08 2.56 1 143 LEU 2.85 2.82 1 144 LEU 3.44 3.24 1 145 LEU 3.64 2.47 1 146 ALA 2.69 3.69 1 147 PHE 2.79 1.71 1 148 VAL 1.50 1.53 1 149 THR -0.67 -1.48 1 150 LYS 4.19 3.37 1 153 SER 2.91 2.36 1 154 ALA 1.52 1.48 1 155 LEU 2.41 2.01 1 156 GLU 2.10 1.77 1 157 SER -5.65 -2.74 1 160 PHE 1.73 2.35 1 161 ALA 4.96 4.11 1 162 ARG 4.09 5.22 1 163 HIS 2.87 1.93 1 165 LEU 4.35 3.40 1 166 LEU 4.01 2.97 1 167 GLN 5.60 3.99 1 168 THR 2.32 2.61 1 169 LEU 1.97 1.24 1 170 TYR -0.09 0.22 1 171 LYS 3.43 2.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.65 _LACS_plot.Line_1_terminator_val_y_1 3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _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 107 LEU -5.30 3.71 0 82 LEU 3.88 -4.56 0 10 VAL 0.48 -0.28 1 11 LEU -0.31 0.10 1 12 SER -0.27 0.08 1 13 SER -0.09 0.11 1 17 ALA 0.56 0.08 1 18 ASP 0.69 -0.04 1 19 VAL 4.95 -1.30 1 21 THR 5.86 -1.60 1 22 PHE 5.05 -1.09 1 23 LEU 2.86 -0.94 1 24 ALA 1.56 0.26 1 25 PHE -1.61 0.59 1 27 SER -0.64 0.66 1 29 GLU 5.16 -1.31 1 30 LYS 1.56 1.87 1 31 LEU 3.83 -1.54 1 32 LEU 3.94 -1.61 1 33 ARG 2.35 -0.63 1 34 LEU 0.88 0.48 1 37 LYS 1.09 -1.93 1 38 SER 3.79 -0.72 1 40 VAL 3.80 -0.90 1 41 LEU 3.19 -0.39 1 42 ILE 5.44 -0.88 1 43 ALA 4.95 -1.60 1 44 GLN 3.21 -0.48 1 45 GLN 0.35 -0.43 1 46 THR 1.18 -0.24 1 47 ASP 0.38 -1.48 1 48 THR 2.32 -2.50 1 49 SER 1.10 0.24 1 50 ASP -4.76 2.65 1 52 GLU 2.72 -0.04 1 53 LYS 3.64 -1.03 1 54 VAL 6.09 -1.22 1 55 VAL 7.23 -1.38 1 56 SER 3.92 -0.79 1 57 ALA 3.35 -0.06 1 58 PHE 4.62 -0.12 1 59 LEU 4.14 -1.53 1 60 LYS 3.98 -0.16 1 61 VAL 5.26 -0.55 1 62 SER 4.06 -0.49 1 63 SER 3.76 -0.77 1 64 VAL -0.56 -1.97 1 65 PHE 3.09 1.29 1 66 LYS -5.61 3.43 1 67 ASP 1.05 -0.73 1 68 GLU -0.87 1.09 1 69 ALA 4.17 0.03 1 70 THR 5.75 -1.65 1 71 VAL 4.73 -0.71 1 72 THR 3.76 -0.45 1 73 MET 3.31 -0.87 1 74 ALA 6.25 -1.23 1 75 VAL 6.87 -2.13 1 76 GLN 4.26 -1.00 1 77 ASP 3.75 -0.85 1 78 ALA 6.53 -1.23 1 79 VAL 4.79 -1.06 1 80 ASP 2.60 0.06 1 81 ALA 2.25 0.64 1 83 MET 4.96 -0.99 1 84 GLN 3.49 -0.45 1 85 LYS 4.61 -1.77 1 86 ALA 4.10 -1.46 1 87 PHE 0.48 0.23 1 88 ASN -0.59 -0.08 1 89 SER 7.89 -3.06 1 90 SER 0.26 0.00 1 91 SER 0.03 0.96 1 92 PHE -0.63 -0.31 1 93 ASN 4.07 -0.72 1 94 SER 4.74 -0.25 1 95 ASN 6.20 -1.64 1 96 THR 4.13 -0.14 1 97 PHE 3.54 -0.84 1 98 LEU 6.37 -0.97 1 99 THR 3.82 -3.77 1 100 ARG 5.11 -1.59 1 101 LEU 4.41 -1.31 1 102 LEU 1.83 -0.91 1 103 VAL 3.54 2.50 1 104 HIS -0.28 2.21 1 105 MET -0.08 0.03 1 108 LEU -0.03 0.14 1 109 LYS -3.35 1.95 1 110 SER 1.05 -0.14 1 111 GLU -0.55 -0.48 1 112 ASP 2.01 -1.78 1 113 LYS -1.77 0.88 1 114 VAL 0.35 -0.96 1 115 LYS -0.75 0.32 1 116 ALA 0.17 -0.09 1 117 ILE 0.79 0.74 1 118 ALA -1.49 0.69 1 119 ASN -0.15 0.36 1 120 LEU 5.27 0.15 1 121 TYR 3.29 0.05 1 124 LEU 4.87 -4.08 1 125 MET 2.39 0.44 1 126 ALA 2.96 0.27 1 127 LEU 3.95 0.10 1 128 ASN 3.90 1.45 1 129 HIS 2.20 2.16 1 130 MET 3.22 -2.23 1 131 VAL -1.15 1.13 1 132 GLN -2.11 -0.08 1 133 GLN 3.32 -0.88 1 134 ASP 0.05 -1.51 1 135 TYR -0.26 0.75 1 136 PHE 4.57 -1.50 1 138 LYS 2.27 -0.56 1 139 ALA -0.01 0.32 1 140 LEU 8.23 -1.30 1 141 ALA 3.08 -0.52 1 143 LEU 2.85 -0.03 1 144 LEU 3.44 -0.20 1 145 LEU 3.64 -1.17 1 146 ALA 2.69 1.00 1 147 PHE 2.79 -1.08 1 148 VAL 1.50 0.03 1 149 THR -0.67 -0.81 1 150 LYS 4.19 -0.82 1 153 SER 2.91 -0.55 1 154 ALA 1.52 -0.04 1 155 LEU 2.41 -0.40 1 156 GLU 2.10 -0.33 1 157 SER -5.65 2.91 1 160 PHE 1.73 0.62 1 161 ALA 4.96 -0.85 1 162 ARG 4.09 1.13 1 163 HIS 2.87 -0.94 1 165 LEU 4.35 -0.95 1 166 LEU 4.01 -1.04 1 167 GLN 5.60 -1.61 1 168 THR 2.32 0.29 1 169 LEU 1.97 -0.73 1 170 TYR -0.09 0.31 1 171 LYS 3.43 -0.53 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6305_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _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 7.89 _LACS_plot.Line_2_terminator_val_y_2 2.57 _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 107 LEU -5.30 -2.63 0 66 LYS -5.61 -2.83 0 10 VAL 0.48 -0.11 1 11 LEU -0.31 -0.47 1 12 SER -0.27 -0.56 1 17 ALA 0.56 0.02 1 18 ASP 0.69 1.95 1 21 THR 5.86 1.29 1 22 PHE 5.05 -1.79 1 23 LEU 2.86 0.27 1 24 ALA 1.56 0.26 1 29 GLU 5.16 2.83 1 30 LYS 1.56 2.00 1 32 LEU 3.94 3.00 1 33 ARG 2.35 1.02 1 37 LYS 1.09 0.02 1 38 SER 3.79 0.60 1 40 VAL 3.80 1.79 1 41 LEU 3.19 2.10 1 42 ILE 5.44 1.76 1 43 ALA 4.95 1.77 1 44 GLN 3.21 1.45 1 45 GLN 0.35 -0.57 1 46 THR 1.18 -2.05 1 47 ASP 0.38 -0.94 1 48 THR 2.32 -1.27 1 49 SER 1.10 -1.05 1 52 GLU 2.72 3.29 1 53 LYS 3.64 3.68 1 54 VAL 6.09 1.13 1 55 VAL 7.23 0.85 1 56 SER 3.92 2.20 1 57 ALA 3.35 0.72 1 58 PHE 4.62 3.02 1 59 LEU 4.14 1.87 1 60 LYS 3.98 3.21 1 61 VAL 5.26 0.18 1 62 SER 4.06 1.91 1 63 SER 3.76 1.26 1 64 VAL -0.56 -2.83 1 65 PHE 3.09 -1.48 1 67 ASP 1.05 -0.63 1 69 ALA 4.17 1.00 1 70 THR 5.75 2.65 1 71 VAL 4.73 0.25 1 72 THR 3.76 0.92 1 73 MET 3.31 3.55 1 74 ALA 6.25 1.02 1 75 VAL 6.87 1.04 1 76 GLN 4.26 3.08 1 77 ASP 6.53 0.73 1 79 VAL 4.79 1.64 1 80 ASP 2.60 2.66 1 81 ALA 2.25 -0.39 1 82 LEU 3.88 2.64 1 83 MET 4.96 2.16 1 84 GLN 3.49 2.53 1 85 LYS 4.61 0.55 1 86 ALA 4.10 1.58 1 87 PHE 0.48 0.03 1 88 ASN 7.89 -0.07 1 90 SER 0.26 -0.68 1 91 SER 0.03 -1.58 1 92 PHE -0.63 0.59 1 93 ASN 4.07 0.88 1 94 SER 6.20 0.92 1 96 THR 4.13 -1.37 1 97 PHE 3.54 0.28 1 98 LEU 6.37 1.25 1 99 THR 3.82 2.45 1 100 ARG 5.11 0.48 1 101 LEU 4.41 -1.07 1 102 LEU 1.83 4.59 1 103 VAL 3.54 2.74 1 104 HIS -0.28 -1.26 1 105 MET -0.08 -2.55 1 108 LEU 1.05 0.14 1 111 GLU -0.55 -0.95 1 112 ASP 2.01 -0.45 1 113 LYS -1.77 -0.63 1 114 VAL 0.35 -1.23 1 115 LYS 0.17 0.42 1 117 ILE 0.79 0.09 1 118 ALA -1.49 -0.16 1 119 ASN -0.15 -1.40 1 120 LEU 3.29 1.69 1 124 LEU 4.87 4.44 1 125 MET 2.39 2.11 1 126 ALA 2.96 -0.64 1 127 LEU 3.95 1.22 1 128 ASN 3.90 3.58 1 129 HIS 2.20 1.29 1 130 MET 3.22 -1.43 1 131 VAL -1.15 0.44 1 132 GLN -2.11 2.12 1 133 GLN 3.32 0.34 1 134 ASP 0.05 -0.70 1 135 TYR 4.57 2.71 1 138 LYS 2.27 1.06 1 139 ALA -0.01 0.74 1 140 LEU 3.08 0.77 1 143 LEU 2.85 1.02 1 144 LEU 3.44 0.85 1 145 LEU 3.64 1.51 1 146 ALA 2.69 1.79 1 147 PHE 2.79 -0.59 1 148 VAL 1.50 0.04 1 149 THR 4.19 1.46 1 153 SER 2.91 2.14 1 154 ALA 1.52 1.12 1 155 LEU 2.41 1.90 1 156 GLU 2.10 0.09 1 157 SER 1.73 1.13 1 161 ALA 4.96 0.68 1 162 ARG 4.09 3.53 1 163 HIS 2.87 0.55 1 165 LEU 4.35 -0.37 1 166 LEU 4.01 3.35 1 167 GLN 5.60 2.23 1 168 THR 2.32 1.20 1 169 LEU 1.97 0.99 1 170 TYR -0.09 -0.52 1 stop_ save_