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 bmr15694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 4.63 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 162 LYS 6.40 6.11 0 85 PHE 1.06 -2.58 0 10 SER 4.08 3.18 1 12 VAL 0.81 -0.29 1 13 HIS 3.14 3.17 1 14 SER -1.22 -0.94 1 15 ASP 0.79 -2.03 1 16 ASN 3.85 2.23 1 17 LYS -7.06 -3.58 1 19 SER -5.14 -4.02 1 20 ARG -0.34 -0.48 1 21 ALA 0.00 -0.15 1 23 THR -0.06 0.49 1 24 ILE 0.80 0.20 1 26 GLU -1.18 -0.83 1 30 ASP 2.93 1.28 1 31 VAL -7.09 -3.76 1 32 SER -4.63 -2.07 1 33 LEU 4.23 3.16 1 34 GLU 4.83 3.81 1 35 GLN 3.06 2.50 1 37 ALA 2.72 1.92 1 38 ALA 3.79 2.35 1 39 GLN 5.35 2.50 1 41 LYS 3.09 2.62 1 42 ALA -0.50 0.06 1 43 VAL -0.28 0.00 1 44 ASP 3.17 2.39 1 47 THR -0.22 0.69 1 48 HIS 0.37 0.51 1 49 PHE -6.07 -2.37 1 50 THR -0.76 2.03 1 51 TYR -4.53 -1.94 1 52 ASN -2.13 -0.80 1 53 ASP 0.49 2.39 1 54 ASP 2.63 1.67 1 55 SER -1.86 -1.12 1 56 LYS 5.77 1.10 1 57 MET -3.78 -1.53 1 59 HIS -3.08 -0.15 1 60 VAL 1.82 0.38 1 61 LYS -2.83 -0.24 1 62 GLU -6.69 -4.04 1 64 LYS 0.11 0.12 1 66 ASP -1.57 -1.55 1 67 LEU -0.43 0.38 1 68 TYR -4.78 -2.87 1 69 ASP 2.07 1.50 1 70 LEU -4.50 -1.45 1 71 THR 5.04 3.71 1 74 LYS -0.62 -0.69 1 75 THR -2.19 -0.14 1 76 ALA -8.41 -2.24 1 77 SER -1.27 -1.35 1 78 ARG 2.34 2.29 1 79 SER -3.91 -2.19 1 81 ASP 1.10 0.70 1 82 ARG -0.10 -1.23 1 83 SER 3.93 2.90 1 86 GLU -2.56 -1.44 1 87 GLN 1.28 1.03 1 88 HIS 2.52 0.87 1 89 VAL -2.76 -1.24 1 90 SER -5.57 -3.32 1 91 TYR -0.44 -0.86 1 92 GLU 2.03 2.31 1 94 ALA 0.20 -1.02 1 96 ASP -0.07 0.70 1 97 VAL -1.26 -1.52 1 98 MET -3.74 -1.04 1 99 THR 2.10 1.84 1 100 ALA -0.14 0.60 1 101 MET -6.52 -0.95 1 102 VAL -0.17 -0.79 1 103 THR 0.59 -2.35 1 104 SER 0.07 0.08 1 105 GLN -1.90 -2.73 1 106 SER 3.55 1.59 1 107 ALA 3.45 2.57 1 108 ASP 3.86 2.48 1 110 GLN 5.16 3.75 1 111 ALA 4.44 3.29 1 112 ALA 2.74 2.22 1 114 ALA 3.55 2.40 1 115 ALA -0.66 -0.19 1 116 ASP -6.88 -1.21 1 118 SER 1.13 1.24 1 120 GLU -2.60 0.53 1 121 ILE -7.43 -2.75 1 122 PHE -7.85 -3.07 1 123 THR -2.21 0.40 1 124 TYR -4.01 -1.84 1 125 ASN -2.33 -1.42 1 126 GLU 2.34 2.22 1 127 HIS 4.01 3.80 1 128 ASP -0.47 -0.69 1 129 GLN 4.54 0.98 1 130 LYS -5.93 -1.13 1 132 THR -3.88 -2.17 1 133 PHE -3.83 -0.22 1 134 LYS -4.06 -3.98 1 136 ARG 2.78 1.84 1 138 PHE 4.41 1.93 1 139 SER 5.25 3.85 1 140 ALA 1.49 0.70 1 141 PHE -0.42 -0.84 1 142 LYS 1.85 2.18 1 143 GLU -3.91 -1.35 1 144 ARG -2.31 -0.93 1 146 VAL 1.35 -0.43 1 147 LEU 1.79 0.69 1 149 VAL -5.30 -2.78 1 150 THR -2.28 -0.21 1 151 SER -4.32 -0.73 1 154 LYS 2.27 3.07 1 155 GLN -0.72 -0.89 1 156 PHE 2.89 1.93 1 158 ASP 1.46 -1.00 1 159 GLU -2.03 -1.53 1 163 LEU 0.14 0.06 1 164 THR -0.11 -0.10 1 168 MET 0.36 0.27 1 169 GLU 0.07 0.44 1 170 ASP 0.29 0.34 1 171 GLN 0.36 0.08 1 172 ILE 0.47 0.22 1 173 SER -0.20 -0.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 5.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 162 LYS 6.40 -0.29 0 85 PHE 1.06 -3.64 0 10 SER 4.08 -0.90 1 12 VAL 0.81 -1.10 1 13 HIS 3.14 0.03 1 14 SER -1.22 0.28 1 15 ASP 0.79 -2.82 1 16 ASN 3.85 -1.62 1 17 LYS -7.06 3.48 1 19 SER -5.14 1.12 1 20 ARG -0.34 -0.14 1 21 ALA 0.00 -0.15 1 23 THR -0.06 0.55 1 24 ILE 0.80 -0.60 1 26 GLU -1.18 0.35 1 30 ASP 2.93 -1.65 1 31 VAL -7.09 3.33 1 32 SER -4.63 2.56 1 33 LEU 4.23 -1.07 1 34 GLU 4.83 -1.02 1 35 GLN 3.06 -0.56 1 37 ALA 2.72 -0.80 1 38 ALA 3.79 -1.44 1 39 GLN 5.35 -2.85 1 41 LYS 3.09 -0.47 1 42 ALA -0.50 0.56 1 43 VAL -0.28 0.28 1 44 ASP 3.17 -0.78 1 47 THR -0.22 0.91 1 48 HIS 0.37 0.14 1 49 PHE -6.07 3.70 1 50 THR -0.76 2.79 1 51 TYR -4.53 2.59 1 52 ASN -2.13 1.33 1 53 ASP 0.49 1.90 1 54 ASP 2.63 -0.96 1 55 SER -1.86 0.74 1 56 LYS 5.77 -4.67 1 57 MET -3.78 2.25 1 59 HIS -3.08 2.93 1 60 VAL 1.82 -1.44 1 61 LYS -2.83 2.59 1 62 GLU -6.69 2.65 1 64 LYS 0.11 0.01 1 66 ASP -1.57 0.02 1 67 LEU -0.43 0.81 1 68 TYR -4.78 1.91 1 69 ASP 2.07 -0.57 1 70 LEU -4.50 3.05 1 71 THR 5.04 -1.33 1 74 LYS -0.62 -0.07 1 75 THR -2.19 2.05 1 76 ALA -8.41 6.17 1 77 SER -1.27 -0.08 1 78 ARG 2.34 -0.05 1 79 SER -3.91 1.72 1 81 ASP 1.10 -0.40 1 82 ARG -0.10 -1.13 1 83 SER 3.93 -1.03 1 86 GLU -2.56 1.12 1 87 GLN 1.28 -0.25 1 88 HIS 2.52 -1.65 1 89 VAL -2.76 1.52 1 90 SER -5.57 2.25 1 91 TYR -0.44 -0.42 1 92 GLU 2.03 0.28 1 94 ALA 0.20 -1.22 1 96 ASP -0.07 0.77 1 97 VAL -1.26 -0.26 1 98 MET -3.74 2.70 1 99 THR 2.10 -0.26 1 100 ALA -0.14 0.74 1 101 MET -6.52 5.57 1 102 VAL -0.17 -0.62 1 103 THR 0.59 -2.94 1 104 SER 0.07 0.01 1 105 GLN -1.90 -0.83 1 106 SER 3.55 -1.96 1 107 ALA 3.45 -0.88 1 108 ASP 3.86 -1.38 1 110 GLN 5.16 -1.41 1 111 ALA 4.44 -1.15 1 112 ALA 2.74 -0.52 1 114 ALA 3.55 -1.15 1 115 ALA -0.66 0.47 1 116 ASP -6.88 5.67 1 118 SER 1.13 0.11 1 120 GLU -2.60 3.13 1 121 ILE -7.43 4.68 1 122 PHE -7.85 4.78 1 123 THR -2.21 2.61 1 124 TYR -4.01 2.17 1 125 ASN -2.33 0.91 1 126 GLU 2.34 -0.12 1 127 HIS 4.01 -0.21 1 128 ASP -0.47 -0.22 1 129 GLN 4.54 -3.56 1 130 LYS -5.93 4.80 1 132 THR -3.88 1.71 1 133 PHE -3.83 3.61 1 134 LYS -4.06 0.08 1 136 ARG 2.78 -0.94 1 138 PHE 4.41 -2.48 1 139 SER 5.25 -1.40 1 140 ALA 1.49 -0.79 1 141 PHE -0.42 -0.42 1 142 LYS 1.85 0.33 1 143 GLU -3.91 2.56 1 144 ARG -2.31 1.38 1 146 VAL 1.35 -1.78 1 147 LEU 1.79 -1.10 1 149 VAL -5.30 2.52 1 150 THR -2.28 2.07 1 151 SER -4.32 3.59 1 154 LYS 2.27 0.80 1 155 GLN -0.72 -0.17 1 156 PHE 2.89 -0.96 1 158 ASP 1.46 -2.46 1 159 GLU -2.03 0.50 1 163 LEU 0.14 -0.08 1 164 THR -0.11 0.01 1 168 MET 0.36 -0.09 1 169 GLU 0.07 0.37 1 170 ASP 0.29 0.05 1 171 GLN 0.36 -0.28 1 172 ILE 0.47 -0.25 1 173 SER -0.20 0.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ALA 0.20 -1.87 0 10 SER 4.08 -0.38 1 12 VAL 0.81 -0.12 1 13 HIS 3.14 -0.41 1 14 SER -1.22 0.32 1 15 ASP 0.79 0.11 1 16 ASN 3.85 -0.17 1 17 LYS -7.06 0.97 1 19 SER -5.14 1.07 1 20 ARG -0.34 0.08 1 21 ALA 0.00 -0.08 1 23 THR -0.06 0.17 1 24 ILE 0.80 -0.22 1 26 GLU -1.18 -0.56 1 30 ASP 2.93 -0.41 1 31 VAL -7.09 0.83 1 32 SER -4.63 0.10 1 33 LEU 4.23 -1.82 1 34 GLU 4.83 -0.79 1 35 GLN 3.06 -0.04 1 37 ALA 2.72 -1.12 1 38 ALA 3.79 -0.48 1 39 GLN 5.35 -0.38 1 41 LYS 3.09 -0.61 1 42 ALA -0.50 -0.04 1 43 VAL -0.28 0.01 1 44 ASP 3.17 -0.29 1 47 THR -0.22 0.10 1 48 HIS 0.37 0.20 1 49 PHE -6.07 0.72 1 50 THR -0.76 0.34 1 51 TYR -4.53 0.89 1 52 ASN -2.13 0.14 1 53 ASP 0.49 -0.29 1 54 ASP 2.63 -0.15 1 55 SER -1.86 -0.12 1 56 LYS 5.77 -0.55 1 57 MET -3.78 0.43 1 59 HIS -3.08 0.04 1 60 VAL 1.82 0.13 1 61 LYS -2.83 0.79 1 62 GLU -6.69 0.89 1 66 ASP -1.57 0.27 1 67 LEU -0.43 0.83 1 68 TYR -4.78 0.31 1 69 ASP 2.07 0.03 1 70 LEU -4.50 0.03 1 71 THR 5.04 -0.61 1 74 LYS -0.62 0.61 1 75 THR -2.19 1.20 1 76 ALA -8.41 0.43 1 77 SER -1.27 -0.33 1 78 ARG 2.34 -0.61 1 79 SER -3.91 0.08 1 81 ASP 1.10 -0.10 1 82 ARG -0.10 -0.72 1 83 SER 3.93 -0.14 1 85 PHE 1.06 0.51 1 86 GLU -2.56 0.31 1 87 GLN 1.28 0.07 1 88 HIS 2.52 0.39 1 89 VAL -2.76 0.64 1 90 SER -5.57 -0.08 1 91 TYR -0.44 0.42 1 92 GLU 2.03 -0.53 1 96 ASP -0.07 0.48 1 97 VAL -1.26 0.38 1 98 MET -3.74 0.08 1 99 THR 2.10 -0.25 1 100 ALA -0.14 0.33 1 101 MET -6.52 0.45 1 102 VAL -0.17 1.09 1 103 THR 0.59 0.39 1 104 SER 0.07 0.00 1 105 GLN -1.90 0.16 1 106 SER 3.55 -1.43 1 107 ALA 3.45 -0.28 1 108 ASP 3.86 -0.62 1 110 GLN 5.16 -1.11 1 111 ALA 4.44 -0.17 1 112 ALA 2.74 -0.60 1 114 ALA 3.55 -0.61 1 115 ALA -0.66 -0.05 1 116 ASP -6.88 0.23 1 118 SER 1.13 -0.05 1 120 GLU -2.60 0.24 1 121 ILE -7.43 0.37 1 122 PHE -7.85 1.17 1 123 THR -2.21 0.53 1 124 TYR -4.01 0.85 1 125 ASN -2.33 0.14 1 126 GLU 2.34 -0.72 1 127 HIS 4.01 -0.41 1 128 ASP -0.47 -0.21 1 129 GLN 4.54 -0.90 1 130 LYS -5.93 0.80 1 132 THR -3.88 0.39 1 133 PHE -3.83 0.72 1 134 LYS -4.06 0.80 1 136 ARG 2.78 -0.13 1 138 PHE 4.41 -0.28 1 139 SER 5.25 -1.17 1 140 ALA 1.49 -0.24 1 141 PHE -0.42 -0.06 1 142 LYS 1.85 -0.80 1 143 GLU -3.91 0.20 1 144 ARG -2.31 -0.07 1 146 VAL 1.35 -0.30 1 147 LEU 1.79 -0.55 1 149 VAL -5.30 1.48 1 150 THR -2.28 0.74 1 151 SER -4.32 0.90 1 154 LYS 2.27 -1.05 1 155 GLN -0.72 -0.29 1 156 PHE 2.89 -0.58 1 158 ASP 1.46 0.02 1 159 GLU -2.03 0.23 1 162 LYS 6.40 -0.13 1 163 LEU 0.14 0.00 1 164 THR -0.11 -0.02 1 169 GLU 0.07 -0.14 1 170 ASP 0.29 -0.09 1 171 GLN 0.36 -0.05 1 172 ILE 0.47 0.00 1 173 SER -0.20 0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15694_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 1.42 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 LYS 5.77 -3.36 0 12 VAL 0.81 0.02 1 13 HIS 3.14 1.39 1 14 SER -1.22 -0.64 1 15 ASP 0.79 -1.04 1 16 ASN 3.85 -0.01 1 17 LYS -7.06 0.26 1 19 SER -5.14 1.50 1 20 ARG -0.34 -0.72 1 21 ALA 0.00 -0.39 1 23 THR -0.06 -0.50 1 24 ILE 0.80 -0.55 1 26 GLU -1.18 0.28 1 30 ASP 2.93 -0.79 1 31 VAL -7.09 -0.38 1 32 SER -4.63 -0.34 1 33 LEU 4.23 0.39 1 34 GLU 4.83 2.52 1 35 GLN 3.06 2.92 1 37 ALA 2.72 3.24 1 38 ALA 3.79 2.29 1 39 GLN 5.35 1.85 1 41 LYS 3.09 0.15 1 42 ALA -0.50 -0.57 1 43 VAL -0.28 -0.34 1 44 ASP 3.17 0.76 1 47 THR -0.22 -0.84 1 48 HIS 0.37 -4.13 1 49 PHE -6.07 -2.15 1 50 THR -0.76 -2.42 1 51 TYR -4.53 -2.84 1 52 ASN -2.13 -0.88 1 53 ASP 0.49 0.29 1 54 ASP 2.63 1.06 1 55 SER -1.86 0.39 1 57 MET -3.78 -1.31 1 59 HIS -3.08 0.39 1 60 VAL 1.82 -1.12 1 61 LYS -2.83 -2.44 1 62 GLU -6.69 -1.59 1 66 ASP -1.57 0.03 1 67 LEU -0.43 -0.02 1 68 TYR -4.78 -2.76 1 69 ASP 2.07 -2.44 1 70 LEU -4.50 -2.52 1 71 THR 5.04 0.52 1 74 LYS -0.62 -1.41 1 75 THR -2.19 -2.02 1 76 ALA -8.41 -3.56 1 77 SER -1.27 -3.35 1 78 ARG 2.34 -0.67 1 79 SER -3.91 -0.22 1 81 ASP 1.10 -0.38 1 82 ARG -0.10 2.87 1 83 SER 3.93 -0.10 1 85 PHE 1.06 0.02 1 86 GLU -2.56 -0.89 1 87 GLN 1.28 0.13 1 88 HIS 2.52 -0.01 1 89 VAL -2.76 -1.81 1 90 SER -5.57 -2.32 1 91 TYR -0.44 1.36 1 92 GLU 2.03 -0.07 1 94 ALA 0.20 -1.27 1 96 ASP -0.07 2.85 1 97 VAL -1.26 -1.41 1 98 MET -3.74 -2.12 1 99 THR 2.10 -1.42 1 100 ALA -0.14 -0.12 1 101 MET -6.52 -2.36 1 102 VAL -0.17 0.15 1 103 THR 0.59 -3.02 1 104 SER 0.07 -0.59 1 105 GLN -1.90 -1.47 1 106 SER 3.55 1.79 1 107 ALA 3.45 2.03 1 108 ASP 3.86 2.69 1 110 GLN 5.16 0.33 1 111 ALA 4.44 0.48 1 112 ALA 2.74 0.02 1 114 ALA 3.55 1.12 1 115 ALA -0.66 -0.99 1 116 ASP -6.88 0.11 1 118 SER 1.13 -0.50 1 120 GLU -2.60 -0.92 1 121 ILE -7.43 -3.69 1 122 PHE -7.85 -2.74 1 123 THR -2.21 -2.29 1 124 TYR -4.01 -2.58 1 125 ASN -2.33 -0.21 1 126 GLU 2.34 1.53 1 127 HIS 4.01 2.69 1 128 ASP -0.47 -1.74 1 129 GLN 4.54 -2.84 1 130 LYS -5.93 -0.28 1 132 THR -3.88 -0.61 1 133 PHE -3.83 -0.96 1 134 LYS -4.06 -0.78 1 136 ARG 2.78 1.48 1 138 PHE 4.41 0.86 1 139 SER 5.25 1.38 1 140 ALA 1.49 -0.40 1 141 PHE -0.42 -1.55 1 142 LYS 1.85 -0.61 1 143 GLU -3.91 -2.15 1 144 ARG -2.31 0.22 1 146 VAL 1.35 -1.75 1 147 LEU 1.79 1.45 1 149 VAL -5.30 -1.18 1 150 THR -2.28 -1.89 1 151 SER -4.32 -3.25 1 154 LYS 2.27 -2.96 1 155 GLN -0.72 -1.09 1 156 PHE 2.89 3.22 1 158 ASP 1.46 -0.38 1 159 GLU -2.03 -0.07 1 162 LYS 6.40 -0.44 1 163 LEU 0.14 0.06 1 168 MET 0.36 0.37 1 169 GLU 0.07 -0.15 1 170 ASP 0.29 -0.05 1 171 GLN 0.36 0.05 1 172 ILE 0.47 -0.04 1 173 SER -0.20 -0.24 1 stop_ save_