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 bmr25760_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -5.72 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.97 _LACS_plot.Line_2_terminator_val_x_2 9.30 _LACS_plot.Line_2_terminator_val_y_2 4.16 _LACS_plot.Y_axis_chem_shift_offset 2.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 LEU 7.77 8.10 0 11 ALA -0.84 -2.93 1 12 LEU 1.11 -2.45 1 14 ALA 1.82 -1.08 1 15 ASN 1.42 -2.63 1 16 ILE 0.99 -3.70 1 17 THR -4.50 -4.58 1 18 LEU 3.37 0.56 1 19 LYS 3.09 -0.44 1 20 ASP -0.76 -1.63 1 21 LEU 6.23 1.90 1 23 SER 3.03 -0.37 1 24 LEU -0.91 -1.44 1 25 TYR -2.35 -3.44 1 27 SER 2.74 -0.71 1 28 PHE 1.82 -5.12 1 29 HIS 3.28 0.94 1 30 SER 0.47 -3.06 1 31 ALA 0.79 -2.00 1 32 SER -1.04 -2.69 1 33 ASP -3.49 -2.70 1 34 ILE -4.17 -4.63 1 35 PHE -3.07 -4.75 1 36 ASN -2.10 -3.93 1 37 VAL -6.53 -5.84 1 38 ALA -0.26 -3.03 1 39 LYS 0.23 -1.97 1 41 LYS 3.08 -1.17 1 42 ASN -0.05 -2.07 1 44 SER 1.81 -1.14 1 45 THR -3.24 -4.35 1 46 ASN -4.14 -3.61 1 47 VAL -3.63 -4.72 1 48 SER -1.90 -2.78 1 49 VAL -0.84 -3.88 1 50 VAL -1.36 -4.00 1 51 VAL -2.34 -4.09 1 52 PHE -0.45 1.20 1 53 ASP 0.58 -1.09 1 54 SER -4.49 -4.17 1 55 THR 5.72 1.56 1 56 LYS 3.79 0.17 1 57 ASP 3.34 0.30 1 58 VAL 5.20 0.79 1 59 GLU 3.66 0.34 1 60 ASP 3.69 0.43 1 61 ALA 1.37 0.07 1 62 HIS 1.40 1.73 1 63 SER 3.96 0.45 1 65 LEU 0.79 -1.66 1 66 LEU 1.09 -1.91 1 67 LYS 0.79 -2.04 1 69 ASN -0.32 -2.89 1 70 SER 0.61 -2.07 1 71 ARG 0.90 -2.36 1 72 GLN -1.36 -2.76 1 73 THR 0.73 -2.01 1 74 VAL -3.47 -4.68 1 75 TRP -5.71 -4.63 1 76 ARG -1.49 -2.87 1 78 TYR -4.86 -4.03 1 79 LEU -4.35 -4.57 1 80 THR -4.37 -5.61 1 81 THR -0.98 -3.16 1 82 ASP -0.27 -2.21 1 83 LYS -0.42 -3.20 1 84 GLU 0.36 -2.27 1 85 VAL -3.24 -5.38 1 88 LEU -1.06 -2.64 1 89 VAL -2.67 -3.69 1 90 LEU 0.65 -1.63 1 91 MET -0.86 -4.99 1 92 GLN 2.98 0.04 1 93 ASP -0.49 -3.09 1 94 LEU -7.59 -5.33 1 95 ALA -5.20 -3.71 1 96 PHE -2.96 -3.08 1 97 LEU -6.41 -4.76 1 98 SER -3.30 -3.60 1 100 PHE -1.45 -5.68 1 103 THR 1.66 -2.45 1 104 PHE 1.19 -2.40 1 105 LYS -2.33 -3.10 1 106 GLU -5.32 -4.86 1 107 THR 9.30 3.76 1 108 ASN 4.23 0.70 1 109 GLN 2.41 -0.35 1 110 LEU 2.29 -1.05 1 111 LYS 4.10 1.45 1 112 THR 2.79 -0.32 1 113 LYS -2.16 -4.63 1 114 LEU 0.23 -2.43 1 116 GLU 3.28 0.36 1 117 ASN 3.82 -0.44 1 118 LEU -0.39 -1.52 1 119 SER 3.84 0.22 1 120 SER 1.65 -1.28 1 121 LYS -2.79 -2.00 1 122 VAL -7.45 -6.75 1 123 LYS -4.29 -4.50 1 124 LEU 0.52 -2.55 1 125 LEU 1.11 -1.64 1 126 GLN -5.20 -3.57 1 127 LEU -3.38 -3.10 1 128 TYR 0.81 -3.72 1 129 SER -2.41 -5.97 1 130 GLU 3.28 -0.27 1 131 ALA -2.41 -3.60 1 132 SER 2.83 -2.03 1 133 VAL -6.81 -5.40 1 134 ALA -6.18 -5.09 1 136 LEU -5.55 -5.15 1 137 LYS -4.85 -4.80 1 138 LEU 0.38 -2.81 1 139 ASN 3.62 -0.32 1 140 ASN -2.74 -3.59 1 142 LYS 3.11 -0.49 1 143 ASP 2.19 -0.64 1 144 PHE 5.44 2.38 1 145 GLN 4.39 0.56 1 146 GLU 2.03 -0.85 1 147 LEU 2.31 -0.61 1 148 ASN 0.72 -1.16 1 149 LYS 1.04 -1.69 1 150 GLN 1.12 -1.90 1 151 THR 1.44 -1.64 1 152 LYS 1.17 -1.90 1 153 LYS 1.49 -1.70 1 154 ASN 0.88 -1.60 1 155 MET -1.98 -3.36 1 156 THR -5.08 -4.71 1 157 ILE -2.49 -2.05 1 158 ASP 2.54 -1.44 1 160 LYS -0.54 -3.51 1 161 GLU -0.33 -2.21 1 162 LEU -2.81 -4.18 1 163 THR -1.55 -2.47 1 164 ILE -2.62 -4.29 1 165 SER -1.53 -2.89 1 167 ALA -5.79 -4.87 1 168 TYR -5.71 -4.49 1 169 LEU -4.35 -3.81 1 170 LEU -4.49 -4.21 1 171 TRP -2.07 -3.47 1 172 ASP -0.84 -0.89 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25760_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 1.87 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -3.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.97 _LACS_plot.Line_2_terminator_val_x_2 9.30 _LACS_plot.Line_2_terminator_val_y_2 -5.14 _LACS_plot.Y_axis_chem_shift_offset 2.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 LEU 7.77 0.33 0 11 ALA -0.84 -2.09 1 12 LEU 1.11 -3.56 1 14 ALA 1.82 -2.90 1 15 ASN 1.42 -4.05 1 16 ILE 0.99 -4.69 1 17 THR -4.50 -0.08 1 18 LEU 3.37 -2.81 1 19 LYS 3.09 -3.53 1 20 ASP -0.76 -0.87 1 21 LEU 6.23 -4.33 1 23 SER 3.03 -3.40 1 24 LEU -0.91 -0.53 1 25 TYR -2.35 -1.09 1 27 SER 2.74 -3.45 1 28 PHE 1.82 -6.94 1 29 HIS 3.28 -2.34 1 30 SER 0.47 -3.53 1 31 ALA 0.79 -2.79 1 32 SER -1.04 -1.65 1 33 ASP -3.49 0.79 1 34 ILE -4.17 -0.46 1 35 PHE -3.07 -1.68 1 36 ASN -2.10 -1.83 1 37 VAL -6.53 0.69 1 38 ALA -0.26 -2.77 1 39 LYS 0.23 -2.20 1 41 LYS 3.08 -4.25 1 42 ASN -0.05 -2.02 1 44 SER 1.81 -2.95 1 45 THR -3.24 -1.11 1 46 ASN -4.14 0.53 1 47 VAL -3.63 -1.09 1 48 SER -1.90 -0.88 1 49 VAL -0.84 -3.04 1 50 VAL -1.36 -2.64 1 51 VAL -2.34 -1.75 1 52 PHE -0.45 1.65 1 53 ASP 0.58 -1.67 1 54 SER -4.49 0.32 1 55 THR 5.72 -4.16 1 56 LYS 3.79 -3.62 1 57 ASP 3.34 -3.04 1 58 VAL 5.20 -4.41 1 59 GLU 3.66 -3.32 1 60 ASP 3.69 -3.26 1 61 ALA 1.37 -1.30 1 62 HIS 1.40 0.33 1 63 SER 3.96 -3.51 1 65 LEU 0.79 -2.45 1 66 LEU 1.09 -3.00 1 67 LYS 0.79 -2.83 1 69 ASN -0.32 -2.57 1 70 SER 0.61 -2.68 1 71 ARG 0.90 -3.26 1 72 GLN -1.36 -1.40 1 73 THR 0.73 -2.74 1 74 VAL -3.47 -1.21 1 75 TRP -5.71 1.08 1 76 ARG -1.49 -1.38 1 78 TYR -4.86 0.83 1 79 LEU -4.35 -0.22 1 80 THR -4.37 -1.24 1 81 THR -0.98 -2.18 1 82 ASP -0.27 -1.94 1 83 LYS -0.42 -2.78 1 84 GLU 0.36 -2.63 1 85 VAL -3.24 -2.14 1 88 LEU -1.06 -1.58 1 89 VAL -2.67 -1.02 1 90 LEU 0.65 -2.28 1 91 MET -0.86 -4.13 1 92 GLN 2.98 -2.94 1 93 ASP -0.49 -2.60 1 94 LEU -7.59 2.26 1 95 ALA -5.20 1.49 1 96 PHE -2.96 -0.12 1 97 LEU -6.41 1.65 1 98 SER -3.30 -0.30 1 100 PHE -1.45 -4.23 1 103 THR 1.66 -4.11 1 104 PHE 1.19 -3.59 1 105 LYS -2.33 -0.77 1 106 GLU -5.32 0.46 1 107 THR 9.30 -5.54 1 108 ASN 4.23 -3.53 1 109 GLN 2.41 -2.76 1 110 LEU 2.29 -3.34 1 111 LYS 4.10 -2.65 1 112 THR 2.79 -3.11 1 113 LYS -2.16 -2.47 1 114 LEU 0.23 -2.66 1 116 GLU 3.28 -2.92 1 117 ASN 3.82 -4.26 1 118 LEU -0.39 -1.13 1 119 SER 3.84 -3.62 1 120 SER 1.65 -2.93 1 121 LYS -2.79 0.79 1 122 VAL -7.45 0.70 1 123 LYS -4.29 -0.21 1 124 LEU 0.52 -3.07 1 125 LEU 1.11 -2.75 1 126 GLN -5.20 1.63 1 127 LEU -3.38 0.28 1 128 TYR 0.81 -4.53 1 129 SER -2.41 -3.56 1 130 GLU 3.28 -3.55 1 131 ALA -2.41 -1.19 1 132 SER 2.83 -4.86 1 133 VAL -6.81 1.41 1 134 ALA -6.18 1.09 1 136 LEU -5.55 0.40 1 137 LYS -4.85 0.05 1 138 LEU 0.38 -3.19 1 139 ASN 3.62 -3.94 1 140 ASN -2.74 -0.85 1 142 LYS 3.11 -3.60 1 143 ASP 2.19 -2.83 1 144 PHE 5.44 -3.06 1 145 GLN 4.39 -3.83 1 146 GLU 2.03 -2.88 1 147 LEU 2.31 -2.92 1 148 ASN 0.72 -1.88 1 149 LYS 1.04 -2.73 1 150 GLN 1.12 -3.02 1 151 THR 1.44 -3.08 1 152 LYS 1.17 -3.07 1 153 LYS 1.49 -3.19 1 154 ASN 0.88 -2.48 1 155 MET -1.98 -1.38 1 156 THR -5.08 0.37 1 157 ILE -2.49 0.44 1 158 ASP 2.54 -3.98 1 160 LYS -0.54 -2.97 1 161 GLU -0.33 -1.88 1 162 LEU -2.81 -1.37 1 163 THR -1.55 -0.92 1 164 ILE -2.62 -1.67 1 165 SER -1.53 -1.36 1 167 ALA -5.79 0.92 1 168 TYR -5.71 1.22 1 169 LEU -4.35 0.54 1 170 LEU -4.49 0.28 1 171 TRP -2.07 -1.40 1 172 ASP -0.84 -0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25760_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 9.30 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 135 LEU 7.77 0.33 0 11 ALA -0.84 -0.18 1 12 LEU 1.11 -0.31 1 14 ALA 1.82 -0.30 1 15 ASN 1.42 -0.22 1 16 ILE 0.99 0.04 1 17 THR -4.50 0.36 1 18 LEU 3.37 -0.43 1 19 LYS 3.09 -0.30 1 20 ASP -0.76 0.03 1 21 LEU 6.23 -0.19 1 23 SER 3.03 -0.26 1 24 LEU -0.91 -0.21 1 25 TYR -2.35 -0.25 1 27 SER 2.74 0.14 1 28 PHE 1.82 0.37 1 29 HIS 3.28 -0.43 1 30 SER 0.47 0.14 1 31 ALA 0.79 -1.01 1 32 SER -1.04 0.02 1 33 ASP -3.49 0.04 1 34 ILE -4.17 1.10 1 35 PHE -3.07 0.22 1 36 ASN -2.10 1.10 1 37 VAL -6.53 0.48 1 38 ALA -0.26 0.31 1 39 LYS 0.23 -0.51 1 41 LYS 3.08 -0.26 1 42 ASN -0.05 -0.06 1 44 SER 1.81 -0.08 1 45 THR -3.24 0.32 1 46 ASN -4.14 0.97 1 47 VAL -3.63 0.67 1 48 SER -1.90 0.98 1 49 VAL -0.84 0.31 1 50 VAL -1.36 0.24 1 51 VAL -2.34 0.24 1 52 PHE -0.45 0.08 1 53 ASP 0.58 0.11 1 54 SER -4.49 0.49 1 55 THR 5.72 -0.43 1 56 LYS 3.79 -0.28 1 57 ASP 3.34 -0.27 1 58 VAL 5.20 -1.70 1 59 GLU 3.66 -0.44 1 60 ASP 3.69 -0.27 1 61 ALA 1.37 -0.15 1 62 HIS 1.40 -0.65 1 63 SER 3.96 -0.34 1 65 LEU 0.79 -0.15 1 66 LEU 1.09 -0.09 1 67 LYS 0.79 -0.06 1 69 ASN -0.32 0.03 1 70 SER 0.61 -0.04 1 71 ARG 0.90 -0.03 1 72 GLN -1.36 0.14 1 73 THR 0.73 0.05 1 74 VAL -3.47 0.99 1 75 TRP -5.71 0.34 1 76 ARG -1.49 0.41 1 78 TYR -4.86 1.01 1 79 LEU -4.35 1.24 1 80 THR -4.37 1.22 1 81 THR -0.98 0.13 1 82 ASP -0.27 -0.20 1 83 LYS -0.42 -0.63 1 84 GLU 0.36 -0.22 1 85 VAL -3.24 0.24 1 88 LEU -1.06 0.10 1 89 VAL -2.67 0.21 1 90 LEU 0.65 -0.29 1 91 MET -0.86 0.34 1 92 GLN 2.98 -0.41 1 93 ASP -0.49 -0.16 1 94 LEU -7.59 1.02 1 95 ALA -5.20 0.22 1 96 PHE -2.96 0.96 1 97 LEU -6.41 1.17 1 98 SER -3.30 0.55 1 100 PHE -1.45 -0.32 1 103 THR 1.66 -0.32 1 104 PHE 1.19 -0.17 1 105 LYS -2.33 0.15 1 106 GLU -5.32 0.52 1 107 THR 9.30 -0.27 1 108 ASN 4.23 -0.41 1 109 GLN 2.41 -0.28 1 110 LEU 2.29 -0.70 1 111 LYS 4.10 -0.83 1 112 THR 2.79 -0.26 1 113 LYS -2.16 0.15 1 114 LEU 0.23 -0.54 1 116 GLU 3.28 -0.23 1 117 ASN 3.82 -0.36 1 118 LEU -0.39 0.01 1 119 SER 3.84 -0.60 1 120 SER 1.65 -0.13 1 121 LYS -2.79 0.30 1 122 VAL -7.45 1.09 1 123 LYS -4.29 0.24 1 124 LEU 0.52 -0.21 1 125 LEU 1.11 -0.02 1 126 GLN -5.20 0.03 1 127 LEU -3.38 0.13 1 128 TYR 0.81 0.37 1 129 SER -2.41 -0.43 1 130 GLU 3.28 -0.15 1 131 ALA -2.41 0.13 1 132 SER 2.83 -0.67 1 133 VAL -6.81 1.16 1 134 ALA -6.18 1.16 1 136 LEU -5.55 0.64 1 137 LYS -4.85 0.69 1 138 LEU 0.38 -0.07 1 139 ASN 3.62 -0.41 1 140 ASN -2.74 -0.01 1 142 LYS 3.11 -0.11 1 143 ASP 2.19 -0.06 1 144 PHE 5.44 -0.83 1 145 GLN 4.39 -0.34 1 146 GLU 2.03 -0.27 1 147 LEU 2.31 -0.37 1 148 ASN 0.72 -0.32 1 149 LYS 1.04 -0.11 1 150 GLN 1.12 -0.10 1 151 THR 1.44 -0.10 1 152 LYS 1.17 -0.06 1 153 LYS 1.49 -0.10 1 154 ASN 0.88 0.03 1 155 MET -1.98 0.25 1 156 THR -5.08 0.90 1 157 ILE -2.49 0.07 1 158 ASP 2.54 -0.30 1 160 LYS -0.54 0.25 1 161 GLU -0.33 -0.08 1 162 LEU -2.81 0.60 1 163 THR -1.55 0.19 1 164 ILE -2.62 0.99 1 165 SER -1.53 0.52 1 167 ALA -5.79 0.49 1 168 TYR -5.71 0.57 1 169 LEU -4.35 0.69 1 170 LEU -4.49 0.28 1 171 TRP -2.07 0.43 1 172 ASP -0.84 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25760_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.81 _LACS_plot.Line_1_terminator_val_y_1 -5.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.62 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 -1.14 _LACS_plot.Y_axis_chem_shift_offset 2.98 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 LEU 0.65 -5.85 0 17 THR -4.50 -1.62 0 11 ALA -0.84 -1.54 1 14 ALA 1.82 -3.01 1 15 ASN 1.42 -2.82 1 18 LEU 3.37 -0.93 1 20 ASP -0.76 -1.46 1 29 HIS 3.28 -1.82 1 30 SER 0.47 -3.01 1 32 SER -1.04 -2.73 1 33 ASP -3.49 -5.32 1 34 ILE -4.17 -5.87 1 37 VAL -6.53 -5.12 1 45 THR -3.24 -5.14 1 46 ASN -4.14 -2.62 1 47 VAL -3.63 -3.41 1 49 VAL -0.84 -5.50 1 50 VAL -1.36 -4.03 1 53 ASP 0.58 -2.33 1 55 THR 5.72 -1.20 1 56 LYS 3.79 -1.25 1 61 ALA 1.37 0.08 1 63 SER 3.96 -0.72 1 69 ASN -0.32 -2.53 1 70 SER 0.61 -2.38 1 72 GLN -1.36 -3.49 1 73 THR 0.73 -4.24 1 74 VAL -3.47 -4.37 1 75 TRP -5.71 -3.86 1 79 LEU -4.35 -3.03 1 80 THR -4.37 -5.33 1 81 THR -0.98 -1.56 1 83 LYS -0.42 -2.48 1 84 GLU 0.36 -3.18 1 92 GLN 2.98 -3.58 1 95 ALA -5.20 -5.87 1 96 PHE -2.96 -3.50 1 97 LEU -6.41 -5.50 1 105 LYS -2.33 -3.60 1 108 ASN 4.23 -0.67 1 109 GLN 2.41 -0.85 1 110 LEU 2.29 -2.65 1 112 THR 2.79 -2.46 1 113 LYS -2.16 -3.24 1 117 ASN 3.82 -2.52 1 119 SER 3.84 -1.65 1 121 LYS -2.79 -3.09 1 123 LYS -4.29 -3.44 1 124 LEU 0.52 -5.14 1 125 LEU 1.11 -3.62 1 130 GLU 3.28 -2.09 1 131 ALA -2.41 -4.17 1 132 SER 2.83 -4.41 1 133 VAL -6.81 -5.14 1 136 LEU -5.55 -6.03 1 138 LEU 0.38 -4.09 1 139 ASN 3.62 -1.88 1 142 LYS 3.11 -1.30 1 145 GLN 4.39 -0.58 1 146 GLU 2.03 -0.56 1 152 LYS 1.17 -1.99 1 153 LYS 1.49 -2.87 1 155 MET -1.98 -4.68 1 156 THR -5.08 -2.83 1 157 ILE -2.49 -3.77 1 158 ASP 2.54 -2.98 1 160 LYS -0.54 -3.73 1 161 GLU -0.33 -2.99 1 162 LEU -2.81 -3.99 1 163 THR -1.55 -4.27 1 168 TYR -5.71 -4.45 1 169 LEU -4.35 -5.58 1 171 TRP -2.07 -3.72 1 stop_ save_