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 bmr34218_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 GLU -7.57 -1.96 0 42 TYR -5.66 -4.96 0 10 LEU 2.90 2.34 1 11 LEU 5.14 3.78 1 12 THR 5.74 4.87 1 13 LYS 4.00 3.47 1 14 THR 7.09 5.47 1 15 LEU 4.35 3.27 1 16 ASN 4.09 3.50 1 17 GLN 3.29 2.74 1 19 VAL 6.51 4.72 1 20 LYS 4.68 3.50 1 21 THR 6.72 5.30 1 22 ILE 5.82 5.14 1 23 PHE 3.36 2.20 1 24 ASP 2.80 2.89 1 25 LYS 0.92 -0.36 1 26 LEU -1.40 -0.54 1 27 ASN 2.59 1.98 1 28 GLU 2.61 1.28 1 29 ARG -2.67 -0.97 1 31 ILE -3.93 -0.83 1 32 PHE -5.08 -0.67 1 33 TYR -5.41 -0.85 1 34 GLN -1.55 -0.62 1 35 ALA -2.64 -1.08 1 37 PHE 1.87 2.41 1 38 TRP -5.68 -2.26 1 39 ILE -0.96 -1.42 1 40 TYR -3.93 -1.99 1 41 GLU -6.29 -2.58 1 46 ILE 0.26 2.30 1 47 GLU -1.82 -0.25 1 48 PHE -3.60 -1.65 1 49 VAL -6.19 -2.14 1 50 GLN -5.70 -2.22 1 51 PHE -4.34 -1.59 1 52 HIS -1.70 -0.31 1 54 ARG -3.67 -0.93 1 55 VAL -4.38 -2.19 1 56 ASN -0.73 -0.89 1 57 THR 3.69 2.49 1 58 LYS 2.64 2.18 1 59 THR -1.04 -0.48 1 61 GLU -2.99 -0.90 1 62 ILE 1.84 0.84 1 63 VAL 0.19 0.34 1 67 GLU 0.94 0.66 1 68 SER 1.19 1.44 1 69 LEU -1.88 -1.02 1 70 VAL -2.80 -1.22 1 71 TYR -4.09 -1.80 1 72 ARG 1.84 0.61 1 73 LEU 2.88 1.03 1 75 LYS -3.01 -1.04 1 77 LYS -0.11 -0.21 1 78 ALA 1.00 1.55 1 79 ASN -0.65 -0.90 1 80 VAL 4.97 3.46 1 81 GLU 2.73 1.77 1 82 GLU -2.13 -0.72 1 83 ARG -0.89 0.89 1 84 GLU -2.76 -0.93 1 85 PHE -5.91 -1.33 1 86 GLU -5.98 -1.38 1 87 LEU -1.94 -0.75 1 88 LEU -4.95 -1.96 1 89 TYR -3.13 -1.50 1 90 ASP -2.72 -1.84 1 91 ASP 3.42 2.62 1 92 VAL 2.06 1.60 1 94 TYR -2.12 0.59 1 95 TYR -3.88 -1.80 1 96 ILE -1.92 -0.92 1 97 SER -3.73 -2.16 1 99 ILE -0.70 -0.92 1 100 ILE -0.29 -0.32 1 102 SER 2.93 0.58 1 104 ASP -0.11 1.35 1 105 ILE 1.96 0.72 1 107 ASP 4.32 3.27 1 108 VAL 3.60 3.19 1 109 THR -1.64 -0.54 1 111 ALA -3.64 -1.95 1 112 GLU 0.46 0.76 1 113 ARG -0.15 1.65 1 114 MET -4.69 -0.68 1 115 VAL -6.13 -3.85 1 116 GLU -3.70 -2.37 1 117 ILE -1.11 -1.16 1 118 GLN -1.55 -2.28 1 119 TYR -1.96 -1.12 1 120 VAL -7.01 -3.81 1 124 SER -1.52 -0.78 1 125 ASN 1.09 0.32 1 126 SER -1.47 -0.55 1 129 SER 0.46 1.08 1 130 THR -3.79 -1.31 1 131 ILE -0.08 0.02 1 132 GLN 0.01 1.06 1 133 TRP -3.44 -2.21 1 134 VAL -2.03 -0.11 1 135 ARG -4.64 -1.55 1 136 GLU -2.48 -1.74 1 137 THR 2.73 0.99 1 138 LYS -2.90 -1.47 1 139 ILE 2.95 1.83 1 141 VAL -0.19 0.61 1 142 TYR -4.43 -1.98 1 143 GLU -6.83 -2.25 1 144 ALA -7.01 -2.68 1 145 GLN -3.55 -2.17 1 146 VAL -4.16 -2.10 1 147 THR -1.95 -2.10 1 148 ILE -2.37 -1.23 1 150 GLU 5.19 4.12 1 151 LEU 4.70 2.10 1 153 ASN 1.00 0.67 1 154 LEU 0.74 -0.85 1 155 GLU 3.30 3.28 1 156 LEU 2.23 1.91 1 157 LEU 1.20 0.42 1 158 ALA 0.27 0.79 1 159 LYS -1.54 -0.78 1 160 ASN -0.38 0.24 1 161 GLU -1.25 -0.29 1 162 ASP 0.78 1.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34218_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 4.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 GLU -7.57 5.61 0 42 TYR -5.66 0.70 0 10 LEU 2.90 -0.56 1 11 LEU 5.14 -1.36 1 12 THR 5.74 -0.87 1 13 LYS 4.00 -0.53 1 14 THR 7.09 -1.62 1 15 LEU 4.35 -1.08 1 16 ASN 4.09 -0.59 1 17 GLN 3.29 -0.55 1 19 VAL 6.51 -1.79 1 20 LYS 4.68 -1.18 1 21 THR 6.72 -1.42 1 22 ILE 5.82 -0.68 1 23 PHE 3.36 -1.16 1 24 ASP 2.80 0.09 1 25 LYS 0.92 -1.28 1 26 LEU -1.40 0.86 1 27 ASN 2.59 -0.61 1 28 GLU 2.61 -1.33 1 29 ARG -2.67 1.70 1 31 ILE -3.93 3.10 1 32 PHE -5.08 4.41 1 33 TYR -5.41 4.56 1 34 GLN -1.55 0.93 1 35 ALA -2.64 1.56 1 37 PHE 1.87 0.54 1 38 TRP -5.68 3.42 1 39 ILE -0.96 -0.46 1 40 TYR -3.93 1.94 1 41 GLU -6.29 3.71 1 46 ILE 0.26 2.04 1 47 GLU -1.82 1.57 1 48 PHE -3.60 1.95 1 49 VAL -6.19 4.05 1 50 GLN -5.70 3.48 1 51 PHE -4.34 2.75 1 52 HIS -1.70 1.39 1 54 ARG -3.67 2.74 1 55 VAL -4.38 2.19 1 56 ASN -0.73 -0.16 1 57 THR 3.69 -1.20 1 58 LYS 2.64 -0.46 1 59 THR -1.04 0.56 1 61 GLU -2.99 2.09 1 62 ILE 1.84 -1.00 1 63 VAL 0.19 0.15 1 67 GLU 0.94 -0.28 1 68 SER 1.19 0.25 1 69 LEU -1.88 0.86 1 70 VAL -2.80 1.58 1 71 TYR -4.09 2.29 1 72 ARG 1.84 -1.23 1 73 LEU 2.88 -1.85 1 75 LYS -3.01 1.97 1 77 LYS -0.11 -0.10 1 78 ALA 1.00 0.55 1 79 ASN -0.65 -0.25 1 80 VAL 4.97 -1.51 1 81 GLU 2.73 -0.96 1 82 GLU -2.13 1.41 1 83 ARG -0.89 1.78 1 84 GLU -2.76 1.83 1 85 PHE -5.91 4.58 1 86 GLU -5.98 4.60 1 87 LEU -1.94 1.19 1 88 LEU -4.95 2.99 1 89 TYR -3.13 1.63 1 90 ASP -2.72 0.88 1 91 ASP 3.42 -0.80 1 92 VAL 2.06 -0.46 1 94 TYR -2.12 2.71 1 95 TYR -3.88 2.08 1 96 ILE -1.92 1.00 1 97 SER -3.73 1.57 1 99 ILE -0.70 -0.22 1 100 ILE -0.29 -0.03 1 102 SER 2.93 -2.35 1 104 ASP -0.11 1.46 1 105 ILE 1.96 -1.24 1 107 ASP 4.32 -1.05 1 108 VAL 3.60 -0.41 1 109 THR -1.64 1.10 1 111 ALA -3.64 1.69 1 112 GLU 0.46 0.30 1 113 ARG -0.15 1.80 1 114 MET -4.69 4.01 1 115 VAL -6.13 2.28 1 116 GLU -3.70 1.33 1 117 ILE -1.11 -0.05 1 118 GLN -1.55 -0.73 1 119 TYR -1.96 0.84 1 120 VAL -7.01 3.20 1 124 SER -1.52 0.74 1 125 ASN 1.09 -0.77 1 126 SER -1.47 0.92 1 129 SER 0.46 0.62 1 130 THR -3.79 2.48 1 131 ILE -0.08 0.10 1 132 GLN 0.01 1.05 1 133 TRP -3.44 1.23 1 134 VAL -2.03 1.92 1 135 ARG -4.64 3.09 1 136 GLU -2.48 0.74 1 137 THR 2.73 -1.74 1 138 LYS -2.90 1.43 1 139 ILE 2.95 -1.12 1 141 VAL -0.19 0.80 1 142 TYR -4.43 2.45 1 143 GLU -6.83 4.58 1 144 ALA -7.01 4.33 1 145 GLN -3.55 1.38 1 146 VAL -4.16 2.06 1 147 THR -1.95 -0.15 1 148 ILE -2.37 1.14 1 150 GLU 5.19 -1.07 1 151 LEU 4.70 -2.60 1 153 ASN 1.00 -0.33 1 154 LEU 0.74 -1.59 1 155 GLU 3.30 -0.02 1 156 LEU 2.23 -0.32 1 157 LEU 1.20 -0.78 1 158 ALA 0.27 0.52 1 159 LYS -1.54 0.76 1 160 ASN -0.38 0.62 1 161 GLU -1.25 0.96 1 162 ASP 0.78 1.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34218_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 TRP -3.44 -1.19 0 10 LEU 2.90 -0.12 1 11 LEU 5.14 -0.59 1 12 THR 5.74 -0.45 1 13 LYS 4.00 -0.21 1 14 THR 7.09 -0.54 1 15 LEU 4.35 -0.40 1 16 ASN 4.09 -0.48 1 17 GLN 3.29 -0.31 1 19 VAL 6.51 -1.31 1 20 LYS 4.68 -0.46 1 21 THR 6.72 -0.50 1 22 ILE 5.82 -1.03 1 23 PHE 3.36 -0.35 1 24 ASP 2.80 -0.29 1 25 LYS 0.92 -0.02 1 26 LEU -1.40 0.20 1 27 ASN 2.59 -0.33 1 28 GLU 2.61 -0.37 1 29 ARG -2.67 0.27 1 31 ILE -3.93 0.60 1 32 PHE -5.08 1.31 1 33 TYR -5.41 0.41 1 34 GLN -1.55 0.41 1 35 ALA -2.64 0.30 1 37 PHE 1.87 -0.38 1 38 TRP -5.68 0.35 1 39 ILE -0.96 0.21 1 40 TYR -3.93 1.02 1 41 GLU -6.29 0.63 1 42 TYR -5.66 0.59 1 46 ILE 0.26 0.11 1 47 GLU -1.82 0.57 1 48 PHE -3.60 1.16 1 49 VAL -6.19 1.33 1 50 GLN -5.70 0.89 1 51 PHE -4.34 1.39 1 52 HIS -1.70 0.24 1 54 ARG -3.67 0.26 1 55 VAL -4.38 0.43 1 57 THR 3.69 -0.40 1 58 LYS 2.64 0.01 1 59 THR -1.04 0.08 1 61 GLU -2.99 -0.02 1 62 ILE 1.84 -0.23 1 63 VAL 0.19 -0.04 1 67 GLU 0.94 -0.20 1 68 SER 1.19 0.05 1 69 LEU -1.88 0.25 1 71 TYR -4.09 0.36 1 72 ARG 1.84 0.32 1 73 LEU 2.88 -0.54 1 75 LYS -3.01 0.35 1 77 LYS -0.11 -0.10 1 78 ALA 1.00 -0.11 1 79 ASN -0.65 0.10 1 80 VAL 4.97 -0.50 1 81 GLU 2.73 -0.11 1 82 GLU -2.13 0.07 1 83 ARG -0.89 -0.04 1 84 GLU -2.76 0.26 1 85 PHE -5.91 1.21 1 86 GLU -5.98 0.33 1 87 LEU -1.94 0.64 1 88 LEU -4.95 0.35 1 89 TYR -3.13 0.42 1 90 ASP -2.72 0.05 1 91 ASP 3.42 -0.35 1 92 VAL 2.06 -0.09 1 94 TYR -2.12 0.81 1 95 TYR -3.88 0.39 1 96 ILE -1.92 0.83 1 97 SER -3.73 1.49 1 98 GLU -7.57 0.79 1 99 ILE -0.70 0.46 1 100 ILE -0.29 0.19 1 102 SER 2.93 -0.45 1 104 ASP -0.11 0.01 1 105 ILE 1.96 -0.40 1 107 ASP 4.32 -0.38 1 108 VAL 3.60 -0.27 1 109 THR -1.64 0.14 1 111 ALA -3.64 0.29 1 112 GLU 0.46 -0.48 1 113 ARG -0.15 0.24 1 114 MET -4.69 0.91 1 115 VAL -6.13 0.81 1 116 GLU -3.70 0.60 1 117 ILE -1.11 0.12 1 118 GLN -1.55 0.70 1 119 TYR -1.96 1.03 1 120 VAL -7.01 0.81 1 124 SER -1.52 0.17 1 125 ASN 1.09 -0.05 1 126 SER -1.47 0.08 1 129 SER 0.46 0.55 1 130 THR -3.79 0.39 1 131 ILE -0.08 0.28 1 132 GLN 0.01 -0.23 1 134 VAL -2.03 0.64 1 135 ARG -4.64 0.48 1 136 GLU -2.48 0.19 1 137 THR 2.73 -0.33 1 138 LYS -2.90 -0.05 1 139 ILE 2.95 -0.48 1 141 VAL -0.19 0.23 1 142 TYR -4.43 0.94 1 143 GLU -6.83 1.06 1 144 ALA -7.01 0.62 1 145 GLN -3.55 0.45 1 146 VAL -4.16 0.67 1 147 THR -1.95 0.60 1 148 ILE -2.37 0.42 1 150 GLU 5.19 -0.42 1 151 LEU 4.70 -0.16 1 153 ASN 1.00 -0.11 1 154 LEU 0.74 0.10 1 155 GLU 3.30 -0.39 1 156 LEU 2.23 -0.24 1 157 LEU 1.20 0.04 1 158 ALA 0.27 0.03 1 159 LYS -1.54 0.20 1 160 ASN -0.38 0.05 1 161 GLU -1.25 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34218_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 1.97 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 LEU 2.88 -3.74 0 10 LEU 2.90 2.71 1 11 LEU 5.14 1.44 1 12 THR 5.74 1.39 1 13 LYS 4.00 2.00 1 14 THR 7.09 1.07 1 15 LEU 4.35 -0.34 1 16 ASN 4.09 3.43 1 17 GLN 3.29 3.07 1 19 VAL 6.51 0.47 1 20 LYS 4.68 1.86 1 21 THR 6.72 0.83 1 22 ILE 5.82 1.96 1 23 PHE 3.36 2.38 1 24 ASP 2.80 2.63 1 25 LYS 0.92 1.58 1 26 LEU -1.40 -1.48 1 27 ASN 2.59 0.67 1 28 GLU 2.61 -1.27 1 29 ARG -2.67 -0.94 1 31 ILE -3.93 -2.15 1 32 PHE -5.08 -0.57 1 33 TYR -5.41 -2.85 1 34 GLN -1.55 -2.78 1 35 ALA -2.64 -0.41 1 37 PHE 1.87 -0.21 1 38 TRP -5.68 -2.13 1 39 ILE -0.96 -2.86 1 40 TYR -3.93 -1.26 1 41 GLU -6.29 -3.68 1 42 TYR -5.66 -2.09 1 46 ILE 0.26 -0.72 1 47 GLU -1.82 -3.98 1 48 PHE -3.60 -0.08 1 49 VAL -6.19 -3.90 1 50 GLN -5.70 -1.63 1 51 PHE -4.34 -2.26 1 52 HIS -1.70 -0.22 1 54 ARG -3.67 -1.83 1 55 VAL -4.38 -1.48 1 56 ASN -0.73 1.29 1 57 THR 3.69 1.05 1 58 LYS 2.64 1.64 1 59 THR -1.04 1.76 1 61 GLU -2.99 -1.00 1 62 ILE 1.84 -0.15 1 63 VAL 0.19 -0.70 1 67 GLU 0.94 0.23 1 68 SER 1.19 -0.56 1 69 LEU -1.88 -3.56 1 71 TYR -4.09 -0.94 1 72 ARG 1.84 -0.47 1 75 LYS -3.01 -2.20 1 77 LYS -0.11 -0.15 1 78 ALA 1.00 0.77 1 79 ASN -0.65 1.48 1 80 VAL 4.97 1.00 1 81 GLU 2.73 0.66 1 82 GLU -2.13 0.01 1 83 ARG -0.89 -1.35 1 84 GLU -2.76 -2.04 1 85 PHE -5.91 0.20 1 86 GLU -5.98 -2.82 1 87 LEU -1.94 -3.20 1 88 LEU -4.95 -4.14 1 89 TYR -3.13 -0.99 1 90 ASP -2.72 -0.48 1 91 ASP 3.42 0.51 1 92 VAL 2.06 0.09 1 94 TYR -2.12 0.44 1 95 TYR -3.88 -3.31 1 96 ILE -1.92 -1.78 1 97 SER -3.73 -0.06 1 98 GLU -7.57 -2.02 1 99 ILE -0.70 0.07 1 100 ILE -0.29 -1.96 1 102 SER 2.93 0.26 1 104 ASP -0.11 2.13 1 105 ILE 1.96 -0.08 1 107 ASP 4.32 1.55 1 108 VAL 3.60 0.65 1 109 THR -1.64 1.53 1 111 ALA -3.64 -0.89 1 112 GLU 0.46 1.78 1 113 ARG -0.15 -3.27 1 114 MET -4.69 -2.45 1 115 VAL -6.13 -3.91 1 116 GLU -3.70 -1.83 1 117 ILE -1.11 -1.83 1 118 GLN -1.55 -1.71 1 119 TYR -1.96 0.22 1 120 VAL -7.01 -0.71 1 124 SER -1.52 -0.35 1 125 ASN 1.09 -0.35 1 126 SER -1.47 -1.00 1 129 SER 0.46 -0.13 1 130 THR -3.79 -1.46 1 131 ILE -0.08 -1.17 1 132 GLN 0.01 -0.27 1 133 TRP -3.44 -1.73 1 134 VAL -2.03 -1.68 1 135 ARG -4.64 -3.05 1 136 GLU -2.48 0.17 1 137 THR 2.73 0.58 1 138 LYS -2.90 -2.05 1 139 ILE 2.95 0.62 1 141 VAL -0.19 -2.71 1 142 TYR -4.43 -0.66 1 143 GLU -6.83 -2.46 1 144 ALA -7.01 -3.91 1 145 GLN -3.55 -2.14 1 146 VAL -4.16 -1.20 1 147 THR -1.95 0.15 1 148 ILE -2.37 -0.21 1 150 GLU 5.19 4.07 1 151 LEU 4.70 0.38 1 153 ASN 1.00 -0.54 1 154 LEU 0.74 -1.21 1 155 GLU 3.30 1.48 1 156 LEU 2.23 0.12 1 157 LEU 1.20 -0.77 1 158 ALA 0.27 -0.98 1 159 LYS -1.54 -0.51 1 160 ASN -0.38 -0.24 1 161 GLU -1.25 -1.38 1 162 ASP 0.78 -0.30 1 stop_ save_