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 bmr34383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _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 -0.87 _LACS_plot.Line_2_terminator_val_x_2 8.22 _LACS_plot.Line_2_terminator_val_y_2 5.76 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ILE 2.95 -1.70 0 79 PHE 2.02 -2.45 0 10 THR -1.95 -0.56 1 11 SER -4.05 -2.26 1 12 VAL 1.07 -0.32 1 13 ILE -0.99 -3.33 1 15 ALA 3.33 3.31 1 16 ALA 3.57 2.82 1 17 ARG 3.20 2.95 1 18 LEU 3.48 2.42 1 19 PHE 4.90 4.85 1 20 LYS 3.69 3.97 1 21 ALA -0.67 1.69 1 22 PHE 0.40 2.30 1 24 LEU 5.06 2.35 1 25 ASP -4.07 -1.70 1 27 ASP 4.06 2.73 1 28 ASN -0.32 0.83 1 29 LEU 0.85 1.98 1 30 PHE 8.22 4.47 1 32 LYS 1.36 1.84 1 33 VAL -0.36 -1.10 1 34 ALA -0.94 -0.23 1 36 GLN 3.32 0.71 1 37 ALA -2.40 0.25 1 38 ILE -4.09 -1.75 1 39 SER 1.00 1.28 1 40 SER -1.50 -0.32 1 41 VAL -1.47 0.24 1 42 GLU -6.78 -2.50 1 43 ASN 1.37 0.57 1 44 ILE 1.75 0.89 1 45 GLU -3.77 -0.44 1 47 ASN -1.38 -0.63 1 52 THR 2.69 2.73 1 53 ILE -2.42 -1.97 1 54 LYS -4.88 -2.08 1 55 LYS -3.97 -1.23 1 56 ILE -0.34 -0.24 1 57 SER -0.71 -0.21 1 58 PHE 0.04 0.51 1 60 GLU 1.71 1.51 1 62 PHE 1.26 1.71 1 64 PHE -5.84 -4.59 1 65 LYS 1.34 2.05 1 66 TYR -3.15 -1.23 1 67 VAL -4.70 -1.20 1 70 ARG -5.93 -2.83 1 71 VAL 1.60 2.19 1 72 ASP -0.04 1.98 1 74 VAL -0.96 0.44 1 75 ASP -3.20 -1.85 1 76 HIS 1.51 4.00 1 77 THR 4.08 3.14 1 78 ASN -1.12 -0.75 1 80 LYS -5.71 -1.50 1 81 TYR -8.05 -3.05 1 82 ASN -3.09 -1.19 1 83 TYR -3.15 -1.35 1 84 SER -3.62 -1.04 1 85 VAL 1.06 0.44 1 86 ILE -2.35 -0.25 1 87 GLU -4.59 0.19 1 91 ILE 3.57 -0.87 1 93 ASP 2.53 2.27 1 94 THR -0.04 0.23 1 95 LEU -2.25 -0.48 1 96 GLU -0.66 1.34 1 97 LYS -1.62 0.08 1 98 ILE -3.14 -0.51 1 99 SER -0.85 -0.23 1 100 ASN -4.50 -0.74 1 101 GLU -5.46 -1.01 1 102 ILE -2.39 -0.41 1 103 LYS -4.60 -1.18 1 104 ILE -0.13 0.04 1 105 VAL -3.55 -1.54 1 106 ALA -1.15 0.15 1 107 THR 0.66 -0.81 1 109 ASP 0.25 -0.46 1 112 SER -3.29 0.47 1 113 ILE -3.76 -0.57 1 114 LEU -0.51 0.00 1 115 LYS -0.90 -0.81 1 116 ILE -2.45 -0.31 1 117 SER -2.53 -1.77 1 118 ASN -5.47 -0.72 1 119 LYS -1.42 -0.93 1 120 TYR -1.06 0.51 1 121 HIS -0.41 0.04 1 122 THR -3.00 -1.74 1 123 LYS -0.99 -0.42 1 125 ASP -0.13 -0.60 1 126 HIS 1.22 3.39 1 127 GLU -3.28 -1.78 1 128 VAL 0.13 -0.48 1 129 LYS 0.38 -0.25 1 130 ALA 4.00 3.03 1 131 GLU 4.22 3.05 1 132 GLN 3.54 2.38 1 133 VAL 4.53 3.30 1 134 LYS 3.56 3.33 1 135 ALA 3.75 2.67 1 136 SER 4.14 3.33 1 137 LYS 3.74 3.24 1 138 GLU 3.28 2.74 1 139 MET 4.07 3.14 1 141 GLU 3.57 3.11 1 142 THR 6.23 5.15 1 143 LEU 4.48 3.05 1 144 LEU 4.70 3.22 1 145 ARG 4.23 1.85 1 146 ALA 3.29 2.65 1 147 VAL 6.70 5.48 1 148 GLU 2.70 4.41 1 150 TYR 4.48 4.54 1 151 LEU 3.59 2.41 1 152 LEU 2.49 2.01 1 153 ALA 0.33 0.31 1 154 HIS 0.60 -0.88 1 155 SER 3.91 3.32 1 156 ASP 0.11 -0.42 1 157 ALA -0.71 0.12 1 158 TYR 6.15 2.31 1 159 ASN -0.39 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 5.27 _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 1.13 _LACS_plot.Line_2_terminator_val_x_2 8.22 _LACS_plot.Line_2_terminator_val_y_2 -2.46 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ILE 2.95 -4.65 0 79 PHE 2.02 -4.47 0 10 THR -1.95 1.39 1 11 SER -4.05 1.79 1 12 VAL 1.07 -1.39 1 13 ILE -0.99 -2.34 1 15 ALA 3.33 -0.02 1 16 ALA 3.57 -0.75 1 17 ARG 3.20 -0.25 1 18 LEU 3.48 -1.06 1 19 PHE 4.90 -0.05 1 20 LYS 3.69 0.28 1 21 ALA -0.67 2.36 1 22 PHE 0.40 1.90 1 24 LEU 5.06 -2.71 1 25 ASP -4.07 2.37 1 27 ASP 4.06 -1.33 1 28 ASN -0.32 1.15 1 29 LEU 0.85 1.13 1 30 PHE 8.22 -3.75 1 32 LYS 1.36 0.48 1 33 VAL -0.36 -0.74 1 34 ALA -0.94 0.71 1 36 GLN 3.32 -2.61 1 37 ALA -2.40 2.65 1 38 ILE -4.09 2.34 1 39 SER 1.00 0.28 1 40 SER -1.50 1.18 1 41 VAL -1.47 1.71 1 42 GLU -6.78 4.28 1 43 ASN 1.37 -0.80 1 44 ILE 1.75 -0.86 1 45 GLU -3.77 3.33 1 47 ASN -1.38 0.75 1 52 THR 2.69 0.04 1 53 ILE -2.42 0.45 1 54 LYS -4.88 2.80 1 55 LYS -3.97 2.74 1 56 ILE -0.34 0.10 1 57 SER -0.71 0.50 1 58 PHE 0.04 0.47 1 60 GLU 1.71 -0.20 1 62 PHE 1.26 0.45 1 64 PHE -5.84 1.25 1 65 LYS 1.34 0.71 1 66 TYR -3.15 1.92 1 67 VAL -4.70 3.50 1 70 ARG -5.93 3.10 1 71 VAL 1.60 0.59 1 72 ASP -0.04 2.02 1 74 VAL -0.96 1.40 1 75 ASP -3.20 1.35 1 76 HIS 1.51 2.49 1 77 THR 4.08 -0.94 1 78 ASN -1.12 0.37 1 80 LYS -5.71 4.21 1 81 TYR -8.05 5.00 1 82 ASN -3.09 1.90 1 83 TYR -3.15 1.80 1 84 SER -3.62 2.58 1 85 VAL 1.06 -0.62 1 86 ILE -2.35 2.10 1 87 GLU -4.59 4.78 1 91 ILE 3.57 -4.44 1 93 ASP 2.53 -0.26 1 94 THR -0.04 0.27 1 95 LEU -2.25 1.77 1 96 GLU -0.66 2.00 1 97 LYS -1.62 1.70 1 98 ILE -3.14 2.63 1 99 SER -0.85 0.62 1 100 ASN -4.50 3.76 1 101 GLU -5.46 4.45 1 102 ILE -2.39 1.98 1 103 LYS -4.60 3.42 1 104 ILE -0.13 0.17 1 105 VAL -3.55 2.01 1 106 ALA -1.15 1.30 1 107 THR 0.66 -1.47 1 109 ASP 0.25 -0.71 1 112 SER -3.29 3.76 1 113 ILE -3.76 3.19 1 114 LEU -0.51 0.51 1 115 LYS -0.90 0.09 1 116 ILE -2.45 2.14 1 117 SER -2.53 0.76 1 118 ASN -5.47 4.75 1 119 LYS -1.42 0.49 1 120 TYR -1.06 1.57 1 121 HIS -0.41 0.45 1 122 THR -3.00 1.26 1 123 LYS -0.99 0.57 1 125 ASP -0.13 -0.47 1 126 HIS 1.22 2.17 1 127 GLU -3.28 1.50 1 128 VAL 0.13 -0.61 1 129 LYS 0.38 -0.63 1 130 ALA 4.00 -0.97 1 131 GLU 4.22 -1.17 1 132 GLN 3.54 -1.16 1 133 VAL 4.53 -1.23 1 134 LYS 3.56 -0.23 1 135 ALA 3.75 -1.08 1 136 SER 4.14 -0.81 1 137 LYS 3.74 -0.50 1 138 GLU 3.28 -0.54 1 139 MET 4.07 -0.93 1 141 GLU 3.57 -0.46 1 142 THR 6.23 -1.08 1 143 LEU 4.48 -1.43 1 144 LEU 4.70 -1.48 1 145 ARG 4.23 -2.38 1 146 ALA 3.29 -0.64 1 147 VAL 6.70 -1.22 1 148 GLU 2.70 1.71 1 150 TYR 4.48 0.06 1 151 LEU 3.59 -1.18 1 152 LEU 2.49 -0.48 1 153 ALA 0.33 -0.02 1 154 HIS 0.60 -1.48 1 155 SER 3.91 -0.59 1 156 ASP 0.11 -0.53 1 157 ALA -0.71 0.83 1 158 TYR 6.15 -3.84 1 159 ASN -0.39 1.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 1.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 8.22 _LACS_plot.Line_2_terminator_val_y_2 -0.95 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 PHE 2.02 -1.48 0 21 ALA -0.67 -1.16 0 10 THR -1.95 0.58 1 11 SER -4.05 0.55 1 12 VAL 1.07 0.28 1 13 ILE -0.99 -0.01 1 15 ALA 3.33 -0.57 1 16 ALA 3.57 -0.87 1 17 ARG 3.20 -0.19 1 18 LEU 3.48 -0.55 1 19 PHE 4.90 -0.83 1 20 LYS 3.69 -0.69 1 22 PHE 0.40 -0.83 1 23 ILE 2.95 -0.53 1 24 LEU 5.06 -0.60 1 25 ASP -4.07 0.78 1 27 ASP 4.06 -0.92 1 28 ASN -0.32 -0.25 1 29 LEU 0.85 -0.36 1 30 PHE 8.22 -0.36 1 32 LYS 1.36 -0.08 1 33 VAL -0.36 0.39 1 34 ALA -0.94 0.52 1 36 GLN 3.32 -0.01 1 37 ALA -2.40 0.29 1 38 ILE -4.09 -0.03 1 39 SER 1.00 0.18 1 40 SER -1.50 0.02 1 41 VAL -1.47 0.54 1 42 GLU -6.78 0.31 1 43 ASN 1.37 0.15 1 44 ILE 1.75 0.01 1 45 GLU -3.77 0.21 1 47 ASN -1.38 0.22 1 52 THR 2.69 0.21 1 53 ILE -2.42 0.99 1 56 ILE -0.34 0.35 1 57 SER -0.71 0.55 1 58 PHE 0.04 -0.05 1 60 GLU 1.71 -0.19 1 62 PHE 1.26 -0.30 1 64 PHE -5.84 0.50 1 65 LYS 1.34 0.45 1 66 TYR -3.15 1.28 1 67 VAL -4.70 0.56 1 70 ARG -5.93 1.20 1 71 VAL 1.60 -0.44 1 72 ASP -0.04 0.43 1 74 VAL -0.96 0.62 1 75 ASP -3.20 0.56 1 76 HIS 1.51 -0.40 1 77 THR 4.08 -0.47 1 78 ASN -1.12 -0.38 1 80 LYS -5.71 1.38 1 81 TYR -8.05 0.97 1 82 ASN -3.09 1.19 1 83 TYR -3.15 0.78 1 84 SER -3.62 1.12 1 86 ILE -2.35 0.76 1 87 GLU -4.59 -0.07 1 91 ILE 3.57 -0.39 1 93 ASP 2.53 -0.22 1 94 THR -0.04 -0.09 1 95 LEU -2.25 0.47 1 96 GLU -0.66 0.02 1 97 LYS -1.62 0.38 1 98 ILE -3.14 0.83 1 99 SER -0.85 0.48 1 100 ASN -4.50 1.10 1 101 GLU -5.46 0.92 1 102 ILE -2.39 0.90 1 103 LYS -4.60 1.21 1 104 ILE -0.13 0.93 1 105 VAL -3.55 0.31 1 106 ALA -1.15 0.44 1 107 THR 0.66 0.30 1 109 ASP 0.25 -0.03 1 112 SER -3.29 1.13 1 113 ILE -3.76 0.41 1 114 LEU -0.51 0.70 1 115 LYS -0.90 0.64 1 116 ILE -2.45 0.89 1 117 SER -2.53 0.94 1 118 ASN -5.47 0.76 1 119 LYS -1.42 0.98 1 120 TYR -1.06 -0.02 1 121 HIS -0.41 0.59 1 122 THR -3.00 0.81 1 123 LYS -0.99 0.21 1 125 ASP -0.13 0.18 1 126 HIS 1.22 -0.29 1 127 GLU -3.28 -0.08 1 128 VAL 0.13 -0.34 1 129 LYS 0.38 -0.10 1 130 ALA 4.00 -0.51 1 131 GLU 4.22 -0.38 1 132 GLN 3.54 -0.17 1 133 VAL 4.53 -0.61 1 134 LYS 3.56 -0.37 1 135 ALA 3.75 -0.13 1 136 SER 4.14 -0.13 1 137 LYS 3.74 -0.12 1 138 GLU 3.28 -0.22 1 139 MET 4.07 -0.20 1 141 GLU 3.57 -0.29 1 142 THR 6.23 -0.49 1 143 LEU 4.48 -0.49 1 144 LEU 4.70 -0.46 1 145 ARG 4.23 -0.16 1 146 ALA 3.29 0.07 1 147 VAL 6.70 -0.45 1 148 GLU 2.70 -0.62 1 150 TYR 4.48 -0.13 1 151 LEU 3.59 -0.29 1 152 LEU 2.49 -0.19 1 153 ALA 0.33 -0.09 1 154 HIS 0.60 0.03 1 155 SER 3.91 -0.27 1 156 ASP 0.11 -0.04 1 157 ALA -0.71 -0.10 1 158 TYR 6.15 -0.53 1 159 ASN -0.39 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _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 6.70 _LACS_plot.Line_2_terminator_val_y_2 2.33 _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 158 TYR 6.15 -2.58 0 10 THR -1.95 -1.09 1 11 SER -4.05 0.25 1 12 VAL 1.07 -0.33 1 15 ALA 3.33 0.25 1 16 ALA 3.57 2.09 1 17 ARG 3.20 0.97 1 18 LEU 3.48 1.17 1 19 PHE 4.90 1.55 1 20 LYS 3.69 -0.06 1 21 ALA -0.67 -2.81 1 23 ILE 2.95 1.82 1 24 LEU 5.06 0.94 1 25 ASP -4.07 1.38 1 27 ASP 4.06 0.41 1 28 ASN -0.32 1.55 1 29 LEU 0.85 1.68 1 32 LYS 1.36 2.06 1 33 VAL -0.36 -0.63 1 36 GLN 3.32 -1.04 1 37 ALA -2.40 -3.48 1 38 ILE -4.09 -2.54 1 39 SER 1.00 0.69 1 40 SER -1.50 -2.87 1 41 VAL -1.47 -1.96 1 42 GLU -6.78 -1.71 1 43 ASN 1.37 -0.07 1 44 ILE 1.75 -0.13 1 45 GLU -3.77 -1.23 1 47 ASN -1.38 0.78 1 52 THR 2.69 -1.59 1 53 ILE -2.42 -1.60 1 54 LYS -4.88 -2.23 1 56 ILE -0.34 -1.61 1 57 SER -0.71 -1.55 1 60 GLU 1.71 0.76 1 64 PHE -5.84 -0.64 1 65 LYS 1.34 1.31 1 70 ARG -5.93 -0.18 1 71 VAL 1.60 -1.37 1 74 VAL -0.96 -2.48 1 75 ASP -3.20 0.40 1 76 HIS 1.51 2.41 1 77 THR 4.08 -0.28 1 78 ASN -1.12 -2.40 1 79 PHE 2.02 -2.64 1 80 LYS -5.71 -2.15 1 81 TYR -8.05 -3.12 1 82 ASN -3.09 -1.31 1 83 TYR -3.15 -2.90 1 84 SER -3.62 -1.62 1 85 VAL 1.06 0.98 1 86 ILE -2.35 -0.30 1 87 GLU -4.59 -2.64 1 91 ILE 3.57 0.47 1 93 ASP 2.53 0.01 1 94 THR -0.04 -0.42 1 95 LEU -2.25 -3.30 1 96 GLU -0.66 -0.55 1 97 LYS -1.62 -2.71 1 98 ILE -3.14 -0.34 1 99 SER -0.85 -1.61 1 100 ASN -4.50 -0.86 1 101 GLU -5.46 -1.97 1 102 ILE -2.39 -1.65 1 103 LYS -4.60 -1.89 1 104 ILE -0.13 -1.48 1 105 VAL -3.55 -1.24 1 106 ALA -1.15 0.65 1 109 ASP 0.25 0.19 1 112 SER -3.29 -0.62 1 113 ILE -3.76 -2.04 1 114 LEU -0.51 -2.60 1 115 LYS -0.90 -0.92 1 116 ILE -2.45 -1.11 1 117 SER -2.53 -0.77 1 118 ASN -5.47 -2.28 1 119 LYS -1.42 -1.84 1 120 TYR -1.06 -1.08 1 121 HIS -0.41 1.47 1 122 THR -3.00 0.51 1 123 LYS -0.99 0.11 1 125 ASP -0.13 0.26 1 126 HIS 1.22 1.73 1 127 GLU -3.28 -0.48 1 128 VAL 0.13 -0.58 1 129 LYS 0.38 1.25 1 130 ALA 4.00 2.63 1 131 GLU 4.22 2.48 1 132 GLN 3.54 2.08 1 133 VAL 4.53 2.63 1 134 LYS 3.56 1.45 1 135 ALA 3.75 3.28 1 136 SER 4.14 2.84 1 137 LYS 3.74 3.10 1 138 GLU 3.28 2.79 1 139 MET 4.07 1.65 1 141 GLU 3.57 1.58 1 142 THR 6.23 2.83 1 143 LEU 4.48 0.82 1 144 LEU 4.70 1.21 1 145 ARG 4.23 3.29 1 146 ALA 3.29 3.24 1 147 VAL 6.70 0.97 1 148 GLU 2.70 0.94 1 150 TYR 4.48 2.54 1 151 LEU 3.59 2.32 1 152 LEU 2.49 0.95 1 153 ALA 0.33 -0.76 1 154 HIS 0.60 1.15 1 155 SER 3.91 -0.53 1 156 ASP 0.11 -0.07 1 157 ALA -0.71 0.06 1 stop_ save_