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 bmr15625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.76 _LACS_plot.Line_1_terminator_val_y_1 -1.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.66 _LACS_plot.Line_2_terminator_val_y_2 6.05 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 SER 0.98 3.27 0 10 ALA 0.54 0.64 1 11 SER 0.28 0.51 1 12 ALA 1.10 1.04 1 13 ALA 1.14 1.03 1 15 VAL 2.80 2.13 1 16 VAL 2.58 1.91 1 19 MET 3.86 4.27 1 20 VAL 6.39 5.08 1 21 ASP 4.17 3.54 1 22 SER 4.65 3.97 1 23 ILE 5.37 5.17 1 24 THR 6.52 5.61 1 25 GLN 4.66 3.58 1 26 ALA 3.23 2.66 1 27 ILE 4.25 5.04 1 28 ASN 3.71 2.72 1 29 GLN 3.75 2.48 1 30 LEU 2.40 1.85 1 31 ASP 0.16 1.16 1 32 GLU -2.11 -0.50 1 35 MET -0.67 0.08 1 37 ASP 0.49 0.45 1 39 GLU -1.03 -0.12 1 41 SER -2.76 -1.25 1 42 PHE 6.58 5.75 1 43 VAL 4.49 3.25 1 44 ASP 4.44 3.46 1 45 TYR 3.70 3.87 1 46 GLN 4.57 4.46 1 47 THR 5.65 4.95 1 48 THR 5.62 4.21 1 49 MET 3.72 5.03 1 50 VAL 6.25 5.06 1 51 ARG 4.85 4.09 1 52 THR 6.75 5.12 1 53 ALA 5.45 3.50 1 54 LYS 5.03 4.22 1 55 ALA 4.15 2.75 1 56 ILE 5.49 4.63 1 57 ALA 4.43 3.33 1 58 VAL 5.70 4.68 1 59 THR 7.15 5.29 1 60 VAL 6.86 5.49 1 61 GLN 4.59 3.17 1 62 GLU 3.00 2.79 1 63 MET 4.33 4.79 1 64 VAL 6.98 5.49 1 65 THR 5.91 4.95 1 66 LYS 3.72 1.62 1 67 SER 5.40 4.58 1 68 ASN -0.24 1.57 1 69 THR 0.50 1.33 1 70 SER -0.67 -0.64 1 72 GLU 3.93 2.47 1 73 GLU 0.88 0.66 1 74 LEU 3.20 2.89 1 77 LEU 2.97 3.01 1 78 ALA 4.42 2.95 1 79 ASN 3.67 4.04 1 80 GLN 3.91 3.31 1 81 LEU 3.12 3.21 1 82 THR 7.63 6.49 1 83 SER 4.22 3.40 1 84 ASP 4.99 4.03 1 85 TYR 7.38 6.27 1 87 ARG 4.34 3.61 1 88 LEU 3.17 2.91 1 89 ALA 4.03 2.80 1 90 SER 4.01 3.33 1 91 GLN 1.73 2.08 1 92 ALA 2.17 2.41 1 93 LYS 2.59 3.48 1 95 ALA 2.99 2.58 1 96 ALA 3.49 2.75 1 97 VAL 0.98 0.48 1 98 ALA 1.22 0.45 1 99 ALA 2.51 1.90 1 100 GLU -1.29 0.00 1 101 ASN 2.72 2.70 1 102 GLU 3.62 3.03 1 103 GLU 3.81 3.14 1 104 ILE 3.58 2.71 1 106 ALA 2.76 4.05 1 107 HIS 6.00 5.86 1 108 ILE 6.51 5.57 1 109 LYS 2.86 4.03 1 110 HIS 2.70 2.16 1 111 ARG 7.06 5.53 1 112 VAL 6.40 5.92 1 113 GLN 2.68 3.17 1 114 GLU 3.80 2.78 1 115 LEU 3.67 5.06 1 117 HIS 4.49 3.41 1 120 SER 3.56 2.78 1 121 ALA 3.65 3.36 1 122 LEU 6.71 5.26 1 123 VAL 7.03 5.76 1 124 THR 3.58 1.61 1 125 LYS 4.02 2.69 1 126 ALA 3.29 2.65 1 128 ALA 2.59 1.75 1 129 LEU 4.08 3.89 1 130 GLN -1.49 -1.16 1 132 SER -0.54 -0.49 1 134 SER -0.16 0.56 1 135 ASP 4.37 3.39 1 136 VAL 5.16 3.73 1 137 TYR 7.20 5.19 1 138 THR 6.04 4.84 1 139 LYS 4.81 3.88 1 140 LYS 2.58 2.86 1 141 GLU 6.06 5.15 1 142 LEU 5.78 4.61 1 143 ILE 3.51 2.71 1 144 GLU 3.85 3.20 1 146 ALA 5.04 3.89 1 147 ARG 4.10 3.49 1 148 ARG 7.67 5.69 1 149 VAL 6.47 5.15 1 150 SER 3.02 2.79 1 151 GLU 3.67 1.62 1 152 LYS 7.61 5.81 1 153 VAL 5.92 4.47 1 155 HIS 6.66 5.36 1 156 VAL 4.91 3.70 1 157 LEU 3.43 2.63 1 158 ALA 3.37 2.13 1 159 ALA 0.54 1.42 1 160 LEU 1.56 0.75 1 161 GLN 0.45 0.81 1 162 ALA 0.24 0.43 1 164 ASN 0.86 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.76 _LACS_plot.Line_1_terminator_val_y_1 1.43 _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 0.84 _LACS_plot.Line_2_terminator_val_x_2 7.66 _LACS_plot.Line_2_terminator_val_y_2 -1.61 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 SER 0.98 2.29 0 10 ALA 0.54 0.10 1 11 SER 0.28 0.23 1 12 ALA 1.10 -0.06 1 13 ALA 1.14 -0.11 1 15 VAL 2.80 -0.67 1 16 VAL 2.58 -0.67 1 19 MET 3.86 0.41 1 20 VAL 6.39 -1.31 1 21 ASP 4.17 -0.63 1 22 SER 4.65 -0.68 1 23 ILE 5.37 -0.20 1 24 THR 6.52 -0.91 1 25 GLN 4.66 -1.08 1 26 ALA 3.23 -0.57 1 27 ILE 4.25 0.79 1 28 ASN 3.71 -0.99 1 29 GLN 3.75 -1.27 1 30 LEU 2.40 -0.55 1 31 ASP 0.16 1.00 1 32 GLU -2.11 1.61 1 35 MET -0.67 0.75 1 37 ASP 0.49 -0.04 1 39 GLU -1.03 0.91 1 41 SER -2.76 1.51 1 42 PHE 6.58 -0.83 1 43 VAL 4.49 -1.24 1 44 ASP 4.44 -0.98 1 45 TYR 3.70 0.17 1 46 GLN 4.57 -0.11 1 47 THR 5.65 -0.70 1 48 THR 5.62 -1.41 1 49 MET 3.72 1.31 1 50 VAL 6.25 -1.19 1 51 ARG 4.85 -0.76 1 52 THR 6.75 -1.63 1 53 ALA 5.45 -1.95 1 54 LYS 5.03 -0.81 1 55 ALA 4.15 -1.40 1 56 ILE 5.49 -0.86 1 57 ALA 4.43 -1.10 1 58 VAL 5.70 -1.02 1 59 THR 7.15 -1.86 1 60 VAL 6.86 -1.37 1 61 GLN 4.59 -1.42 1 62 GLU 3.00 -0.21 1 63 MET 4.33 0.46 1 64 VAL 6.98 -1.49 1 65 THR 5.91 -0.96 1 66 LYS 3.72 -2.10 1 67 SER 5.40 -0.82 1 68 ASN -0.24 1.81 1 69 THR 0.50 0.83 1 70 SER -0.67 0.03 1 72 GLU 3.93 -1.46 1 73 GLU 0.88 -0.22 1 74 LEU 3.20 -0.31 1 77 LEU 2.97 0.04 1 78 ALA 4.42 -1.47 1 79 ASN 3.67 0.37 1 80 GLN 3.91 -0.60 1 81 LEU 3.12 0.09 1 82 THR 7.63 -1.14 1 83 SER 4.22 -0.82 1 84 ASP 4.99 -0.96 1 85 TYR 7.38 -1.11 1 87 ARG 4.34 -0.73 1 88 LEU 3.17 -0.26 1 89 ALA 4.03 -1.23 1 90 SER 4.01 -0.68 1 91 GLN 1.73 0.35 1 92 ALA 2.17 0.24 1 93 LYS 2.59 0.89 1 95 ALA 2.99 -0.41 1 96 ALA 3.49 -0.74 1 97 VAL 0.98 -0.50 1 98 ALA 1.22 -0.77 1 99 ALA 2.51 -0.61 1 100 GLU -1.29 1.29 1 101 ASN 2.72 -0.02 1 102 GLU 3.62 -0.59 1 103 GLU 3.81 -0.67 1 104 ILE 3.58 -0.87 1 106 ALA 2.76 1.29 1 107 HIS 6.00 -0.14 1 108 ILE 6.51 -0.94 1 109 LYS 2.86 1.17 1 110 HIS 2.70 -0.54 1 111 ARG 7.06 -1.53 1 112 VAL 6.40 -0.48 1 113 GLN 2.68 0.49 1 114 GLU 3.80 -1.02 1 115 LEU 3.67 1.39 1 117 HIS 4.49 -1.08 1 120 SER 3.56 -0.78 1 121 ALA 3.65 -0.29 1 122 LEU 6.71 -1.45 1 123 VAL 7.03 -1.27 1 124 THR 3.58 -1.97 1 125 LYS 4.02 -1.33 1 126 ALA 3.29 -0.64 1 128 ALA 2.59 -0.84 1 129 LEU 4.08 -0.19 1 130 GLN -1.49 0.33 1 132 SER -0.54 0.05 1 134 SER -0.16 0.72 1 135 ASP 4.37 -0.98 1 136 VAL 5.16 -1.43 1 137 TYR 7.20 -2.01 1 138 THR 6.04 -1.20 1 139 LYS 4.81 -0.93 1 140 LYS 2.58 0.28 1 141 GLU 6.06 -0.91 1 142 LEU 5.78 -1.17 1 143 ILE 3.51 -0.80 1 144 GLU 3.85 -0.65 1 146 ALA 5.04 -1.15 1 147 ARG 4.10 -0.61 1 148 ARG 7.67 -1.98 1 149 VAL 6.47 -1.32 1 150 SER 3.02 -0.23 1 151 GLU 3.67 -2.05 1 152 LYS 7.61 -1.80 1 153 VAL 5.92 -1.45 1 155 HIS 6.66 -1.30 1 156 VAL 4.91 -1.21 1 157 LEU 3.43 -0.80 1 158 ALA 3.37 -1.24 1 159 ALA 0.54 0.88 1 160 LEU 1.56 -0.81 1 161 GLN 0.45 0.36 1 162 ALA 0.24 0.19 1 164 ASN 0.86 0.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.76 _LACS_plot.Line_1_terminator_val_y_1 0.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.66 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 98 ALA 1.22 -0.92 0 10 ALA 0.54 -0.10 1 11 SER 0.28 -0.12 1 12 ALA 1.10 -0.12 1 13 ALA 1.14 -0.14 1 15 VAL 2.80 -0.13 1 16 VAL 2.58 -0.10 1 19 MET 3.86 -0.31 1 20 VAL 6.39 -0.69 1 21 ASP 4.17 -0.27 1 22 SER 4.65 -0.32 1 23 ILE 5.37 -0.36 1 24 THR 6.52 -0.69 1 25 GLN 4.66 -0.31 1 26 ALA 3.23 -0.21 1 27 ILE 4.25 -0.58 1 28 ASN 3.71 -0.30 1 29 GLN 3.75 -0.22 1 30 LEU 2.40 -0.22 1 31 ASP 0.16 0.08 1 32 GLU -2.11 -0.01 1 35 MET -0.67 -0.02 1 37 ASP 0.49 -0.04 1 39 GLU -1.03 0.01 1 41 SER -2.76 0.26 1 42 PHE 6.58 -0.45 1 43 VAL 4.49 -0.39 1 44 ASP 4.44 -0.40 1 45 TYR 3.70 -0.44 1 46 GLN 4.57 -0.89 1 47 THR 5.65 -0.60 1 48 THR 5.62 -0.46 1 49 MET 3.72 -0.58 1 50 VAL 6.25 -0.74 1 51 ARG 4.85 -0.43 1 52 THR 6.75 -0.47 1 53 ALA 5.45 -0.41 1 54 LYS 5.03 -0.42 1 55 ALA 4.15 -0.20 1 56 ILE 5.49 -0.26 1 57 ALA 4.43 -0.43 1 58 VAL 5.70 -0.45 1 59 THR 7.15 -0.56 1 60 VAL 6.86 -0.68 1 61 GLN 4.59 -0.35 1 62 GLU 3.00 -0.27 1 63 MET 4.33 -0.80 1 64 VAL 6.98 -0.89 1 65 THR 5.91 -0.43 1 66 LYS 3.72 -0.10 1 67 SER 5.40 -0.74 1 68 ASN -0.24 -0.02 1 69 THR 0.50 0.07 1 70 SER -0.67 0.11 1 72 GLU 3.93 -0.10 1 73 GLU 0.88 -0.09 1 74 LEU 3.20 -0.38 1 77 LEU 2.97 -0.22 1 78 ALA 4.42 -0.46 1 79 ASN 3.67 -0.33 1 80 GLN 3.91 -0.41 1 81 LEU 3.12 -0.06 1 82 THR 7.63 -0.81 1 83 SER 4.22 -0.30 1 84 ASP 4.99 -0.11 1 85 TYR 7.38 -0.74 1 87 ARG 4.34 -0.32 1 88 LEU 3.17 -0.38 1 89 ALA 4.03 -0.64 1 90 SER 4.01 -0.31 1 91 GLN 1.73 -0.22 1 92 ALA 2.17 -0.47 1 93 LYS 2.59 -0.86 1 95 ALA 2.99 -0.42 1 96 ALA 3.49 -0.37 1 97 VAL 0.98 0.02 1 99 ALA 2.51 -0.53 1 100 GLU -1.29 -0.13 1 101 ASN 2.72 -0.25 1 102 GLU 3.62 -0.35 1 103 GLU 3.81 -0.36 1 104 ILE 3.58 -0.36 1 106 ALA 2.76 -0.14 1 107 HIS 6.00 -0.81 1 108 ILE 6.51 -0.71 1 109 LYS 2.86 -0.12 1 110 HIS 2.70 -0.21 1 111 ARG 7.06 -0.51 1 112 VAL 6.40 -0.49 1 113 GLN 2.68 -0.27 1 114 GLU 3.80 -0.25 1 115 LEU 3.67 -0.51 1 117 HIS 4.49 -0.60 1 120 SER 3.56 -0.20 1 121 ALA 3.65 -0.30 1 122 LEU 6.71 -0.61 1 123 VAL 7.03 -0.53 1 124 THR 3.58 -0.22 1 125 LYS 4.02 -0.39 1 126 ALA 3.29 -0.20 1 128 ALA 2.59 -0.29 1 129 LEU 4.08 -0.59 1 130 GLN -1.49 0.05 1 132 SER -0.54 0.06 1 134 SER -0.16 -0.05 1 135 ASP 4.37 -0.47 1 136 VAL 5.16 -0.39 1 137 TYR 7.20 -0.50 1 138 THR 6.04 -0.54 1 139 LYS 4.81 -0.42 1 140 LYS 2.58 -0.36 1 141 GLU 6.06 -0.66 1 142 LEU 5.78 -0.72 1 143 ILE 3.51 -0.19 1 144 GLU 3.85 -0.49 1 146 ALA 5.04 -0.38 1 147 ARG 4.10 -0.23 1 148 ARG 7.67 -0.66 1 149 VAL 6.47 -0.56 1 150 SER 3.02 -0.39 1 151 GLU 3.67 -0.29 1 152 LYS 7.61 -0.64 1 153 VAL 5.92 -0.31 1 154 SER 0.98 -0.06 1 155 HIS 6.66 -0.64 1 156 VAL 4.91 -0.44 1 157 LEU 3.43 -0.15 1 158 ALA 3.37 -0.10 1 159 ALA 0.54 -0.18 1 160 LEU 1.56 -0.16 1 161 GLN 0.45 -0.07 1 162 ALA 0.24 -0.05 1 164 ASN 0.86 -0.20 1 stop_ save_