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 bmr16629_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.53 _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 -1.60 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 4.28 _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 121 HIS -4.68 2.29 0 10 LYS -1.24 -0.55 1 11 GLN -4.69 -1.15 1 12 ALA -5.51 -2.88 1 13 ALA -5.90 -2.46 1 14 LEU -4.59 -1.64 1 15 ILE -6.80 -1.98 1 16 GLU -6.12 -1.92 1 17 TYR -4.76 -0.51 1 18 GLU -5.20 -1.05 1 19 VAL -5.13 -3.09 1 20 ARG -6.03 -2.15 1 21 GLU 0.36 0.40 1 22 GLN 3.62 2.56 1 24 SER -3.27 -2.53 1 25 SER 0.18 0.56 1 26 ILE 0.51 0.03 1 27 VAL 2.49 1.46 1 28 LEU 0.27 1.05 1 29 ASP -2.85 -0.39 1 30 SER -2.94 -1.75 1 31 ASN -0.88 -1.22 1 32 ILE 4.39 2.96 1 33 SER 2.82 2.06 1 34 LYS -1.25 -1.53 1 35 GLU 0.24 0.67 1 37 LEU -1.72 -0.53 1 38 GLU -5.06 -2.64 1 40 ILE 1.26 -0.87 1 41 ILE 2.23 1.00 1 43 THR -1.04 -0.99 1 44 ASN 2.91 1.35 1 45 GLN 1.54 2.35 1 46 ILE -6.64 -3.20 1 47 ILE 2.07 1.21 1 48 ALA 3.21 2.95 1 50 LEU 1.98 0.75 1 51 GLU 5.90 4.77 1 52 LYS 3.94 3.50 1 53 ALA 2.66 2.26 1 54 VAL 5.41 3.94 1 55 LEU 2.75 2.20 1 56 LYS -1.32 -0.58 1 57 ALA -2.06 0.03 1 58 GLN -0.86 -1.03 1 59 ILE 3.40 2.37 1 61 GLU -4.95 -2.83 1 62 TRP 0.69 0.67 1 63 GLU -5.07 -1.68 1 64 GLU -5.47 -1.86 1 65 VAL -4.67 -1.99 1 66 VAL -0.22 -0.42 1 67 ILE -2.21 -0.52 1 68 ALA 0.69 0.50 1 70 GLU 4.98 3.59 1 71 GLU -1.89 -0.90 1 72 ALA -1.47 -1.90 1 73 TYR 3.67 2.05 1 75 VAL -0.09 -0.44 1 76 TYR 1.42 1.75 1 77 GLU -2.68 -2.54 1 78 SER 4.85 3.52 1 79 SER 3.01 2.10 1 80 TYR -0.71 -2.42 1 81 LEU -0.18 -0.48 1 82 GLN -4.73 -1.22 1 83 GLU -2.59 -1.02 1 84 VAL -3.25 -0.84 1 86 ARG 3.52 2.52 1 87 ASP 3.46 1.88 1 88 GLN 2.73 1.43 1 89 PHE -0.69 -0.92 1 90 GLU 2.10 1.78 1 92 ILE -1.84 -1.19 1 93 GLU 0.12 -1.13 1 94 LEU -0.38 -0.25 1 95 GLU -5.57 -1.77 1 96 LYS 4.21 3.16 1 98 MET -1.14 0.63 1 99 SER -1.08 -0.29 1 100 VAL -4.48 -2.20 1 101 PHE -1.70 -0.45 1 103 GLN -3.38 -0.93 1 104 THR -2.27 -0.96 1 105 GLU 2.30 1.98 1 106 ASP 0.63 -0.52 1 107 ASN 3.04 1.49 1 108 GLN -0.99 -0.49 1 109 THR 0.82 0.82 1 110 ILE -3.27 -1.03 1 111 GLN -1.66 -0.34 1 112 ALA -5.75 -2.25 1 113 ILE -5.20 -2.69 1 114 ILE 2.06 -0.37 1 115 LYS -0.66 0.06 1 116 ASP -3.63 -1.37 1 117 PHE -2.27 -0.80 1 118 SER -6.28 -2.88 1 119 ALA 2.57 2.54 1 120 THR 0.28 0.38 1 122 VAL -2.87 -0.81 1 123 MET -0.54 -1.50 1 124 VAL -2.55 -1.62 1 125 ASP -4.77 -1.58 1 126 TYR 1.80 0.87 1 127 ASN 1.05 2.10 1 128 HIS 1.75 4.05 1 130 LEU -0.36 -1.78 1 131 ALA 1.51 1.47 1 133 LYS -1.38 0.02 1 134 THR 2.26 1.33 1 135 LEU -4.39 -1.42 1 136 ALA -2.50 -1.79 1 137 PHE -4.22 -0.32 1 138 ARG -2.18 -0.55 1 139 PHE -5.37 -1.14 1 140 LYS -3.79 -1.66 1 141 VAL 0.81 -0.09 1 142 LEU 1.42 0.90 1 144 PHE -5.35 -1.43 1 145 ARG -4.04 -1.31 1 146 GLU -0.80 -0.23 1 147 VAL -0.62 -0.47 1 148 SER -1.15 -0.57 1 149 GLU -0.39 0.20 1 150 GLU -0.87 -0.11 1 151 GLU 0.61 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16629_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 4.27 _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 0.40 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 -1.61 _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 121 HIS -4.68 6.97 0 10 LYS -1.24 0.69 1 11 GLN -4.69 3.54 1 12 ALA -5.51 2.63 1 13 ALA -5.90 3.44 1 14 LEU -4.59 2.95 1 15 ILE -6.80 4.82 1 16 GLU -6.12 4.20 1 17 TYR -4.76 4.25 1 18 GLU -5.20 4.15 1 19 VAL -5.13 2.04 1 20 ARG -6.03 3.88 1 21 GLU 0.36 0.04 1 22 GLN 3.62 -1.06 1 24 SER -3.27 0.74 1 25 SER 0.18 0.38 1 26 ILE 0.51 -0.48 1 27 VAL 2.49 -1.03 1 28 LEU 0.27 0.78 1 29 ASP -2.85 2.46 1 30 SER -2.94 1.19 1 31 ASN -0.88 -0.34 1 32 ILE 4.39 -1.43 1 33 SER 2.82 -0.76 1 34 LYS -1.25 -0.28 1 35 GLU 0.24 0.43 1 37 LEU -1.72 1.19 1 38 GLU -5.06 2.42 1 40 ILE 1.26 -2.13 1 41 ILE 2.23 -1.23 1 43 THR -1.04 0.05 1 44 ASN 2.91 -1.56 1 45 GLN 1.54 0.81 1 46 ILE -6.64 3.44 1 47 ILE 2.07 -0.86 1 48 ALA 3.21 -0.26 1 50 LEU 1.98 -1.23 1 51 GLU 5.90 -1.13 1 52 LYS 3.94 -0.44 1 53 ALA 2.66 -0.40 1 54 VAL 5.41 -1.47 1 55 LEU 2.75 -0.55 1 56 LYS -1.32 0.74 1 57 ALA -2.06 2.09 1 58 GLN -0.86 -0.17 1 59 ILE 3.40 -1.03 1 61 GLU -4.95 2.12 1 62 TRP 0.69 -0.02 1 63 GLU -5.07 3.39 1 64 GLU -5.47 3.61 1 65 VAL -4.67 2.68 1 66 VAL -0.22 -0.20 1 67 ILE -2.21 1.69 1 68 ALA 0.69 -0.19 1 70 GLU 4.98 -1.39 1 71 GLU -1.89 0.99 1 72 ALA -1.47 -0.43 1 73 TYR 3.67 -1.62 1 75 VAL -0.09 -0.35 1 76 TYR 1.42 0.33 1 77 GLU -2.68 0.14 1 78 SER 4.85 -1.33 1 79 SER 3.01 -0.91 1 80 TYR -0.71 -1.71 1 81 LEU -0.18 -0.30 1 82 GLN -4.73 3.51 1 83 GLU -2.59 1.57 1 84 VAL -3.25 2.41 1 86 ARG 3.52 -1.00 1 87 ASP 3.46 -1.58 1 88 GLN 2.73 -1.30 1 89 PHE -0.69 -0.23 1 90 GLU 2.10 -0.32 1 92 ILE -1.84 0.65 1 93 GLU 0.12 -1.25 1 94 LEU -0.38 0.13 1 95 GLU -5.57 3.80 1 96 LYS 4.21 -1.05 1 98 MET -1.14 1.77 1 99 SER -1.08 0.79 1 100 VAL -4.48 2.28 1 101 PHE -1.70 1.25 1 103 GLN -3.38 2.45 1 104 THR -2.27 1.31 1 105 GLU 2.30 -0.32 1 106 ASP 0.63 -1.15 1 107 ASN 3.04 -1.55 1 108 GLN -0.99 0.50 1 109 THR 0.82 0.00 1 110 ILE -3.27 2.24 1 111 GLN -1.66 1.32 1 112 ALA -5.75 3.50 1 113 ILE -5.20 2.51 1 114 ILE 2.06 -2.43 1 115 LYS -0.66 0.72 1 116 ASP -3.63 2.26 1 117 PHE -2.27 1.47 1 118 SER -6.28 3.40 1 119 ALA 2.57 -0.03 1 120 THR 0.28 0.10 1 122 VAL -2.87 2.06 1 123 MET -0.54 -0.96 1 124 VAL -2.55 0.93 1 125 ASP -4.77 3.19 1 126 TYR 1.80 -0.93 1 127 ASN 1.05 1.05 1 128 HIS 1.75 2.30 1 130 LEU -0.36 -1.42 1 131 ALA 1.51 -0.04 1 133 LYS -1.38 1.40 1 134 THR 2.26 -0.93 1 135 LEU -4.39 2.97 1 136 ALA -2.50 0.71 1 137 PHE -4.22 3.90 1 138 ARG -2.18 1.63 1 139 PHE -5.37 4.23 1 140 LYS -3.79 2.13 1 141 VAL 0.81 -0.90 1 142 LEU 1.42 -0.52 1 144 PHE -5.35 3.92 1 145 ARG -4.04 2.73 1 146 GLU -0.80 0.57 1 147 VAL -0.62 0.15 1 148 SER -1.15 0.58 1 149 GLU -0.39 0.59 1 150 GLU -0.87 0.76 1 151 GLU 0.61 1.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16629_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 139 PHE -5.37 1.66 0 138 ARG -2.18 1.39 0 17 TYR -4.76 1.69 0 10 LYS -1.24 0.19 1 11 GLN -4.69 0.70 1 12 ALA -5.51 0.87 1 13 ALA -5.90 0.30 1 14 LEU -4.59 1.06 1 15 ILE -6.80 1.60 1 16 GLU -6.12 0.91 1 18 GLU -5.20 0.72 1 19 VAL -5.13 0.97 1 20 ARG -6.03 0.43 1 21 GLU 0.36 0.16 1 22 GLN 3.62 -0.18 1 24 SER -3.27 0.36 1 25 SER 0.18 0.03 1 26 ILE 0.51 -0.23 1 27 VAL 2.49 -0.22 1 28 LEU 0.27 -0.07 1 29 ASP -2.85 0.16 1 30 SER -2.94 0.42 1 31 ASN -0.88 -0.02 1 32 ILE 4.39 -0.29 1 33 SER 2.82 -0.21 1 34 LYS -1.25 0.35 1 35 GLU 0.24 0.04 1 37 LEU -1.72 0.31 1 38 GLU -5.06 1.38 1 40 ILE 1.26 0.16 1 41 ILE 2.23 -0.17 1 43 THR -1.04 0.27 1 44 ASN 2.91 -0.16 1 45 GLN 1.54 -0.24 1 46 ILE -6.64 0.27 1 47 ILE 2.07 -0.38 1 48 ALA 3.21 -0.24 1 50 LEU 1.98 -0.58 1 51 GLU 5.90 -0.93 1 52 LYS 3.94 -0.44 1 53 ALA 2.66 -0.19 1 54 VAL 5.41 -0.57 1 55 LEU 2.75 -0.16 1 56 LYS -1.32 0.28 1 57 ALA -2.06 0.23 1 58 GLN -0.86 0.13 1 59 ILE 3.40 -0.41 1 61 GLU -4.95 0.27 1 62 TRP 0.69 -0.09 1 63 GLU -5.07 0.28 1 64 GLU -5.47 1.45 1 65 VAL -4.67 0.69 1 66 VAL -0.22 0.93 1 67 ILE -2.21 0.17 1 68 ALA 0.69 -0.02 1 70 GLU 4.98 -0.36 1 71 GLU -1.89 0.15 1 72 ALA -1.47 0.14 1 73 TYR 3.67 -0.33 1 75 VAL -0.09 -0.08 1 76 TYR 1.42 -0.63 1 77 GLU -2.68 0.30 1 78 SER 4.85 -0.32 1 79 SER 3.01 -0.08 1 80 TYR -0.71 0.35 1 81 LEU -0.18 0.98 1 82 GLN -4.73 0.40 1 83 GLU -2.59 0.88 1 84 VAL -3.25 0.57 1 86 ARG 3.52 -0.33 1 87 ASP 3.46 -0.26 1 88 GLN 2.73 -0.25 1 89 PHE -0.69 -0.02 1 90 GLU 2.10 -0.25 1 92 ILE -1.84 0.08 1 93 GLU 0.12 -0.11 1 94 LEU -0.38 -0.30 1 95 GLU -5.57 0.27 1 96 LYS 4.21 -0.53 1 98 MET -1.14 -0.08 1 99 SER -1.08 0.74 1 100 VAL -4.48 0.31 1 101 PHE -1.70 0.63 1 103 GLN -3.38 0.91 1 104 THR -2.27 0.20 1 105 GLU 2.30 -0.18 1 106 ASP 0.63 0.03 1 107 ASN 3.04 -0.38 1 108 GLN -0.99 0.22 1 109 THR 0.82 0.47 1 110 ILE -3.27 0.40 1 111 GLN -1.66 0.27 1 112 ALA -5.75 0.29 1 113 ILE -5.20 0.75 1 114 ILE 2.06 -0.05 1 115 LYS -0.66 0.12 1 116 ASP -3.63 -0.13 1 117 PHE -2.27 0.53 1 118 SER -6.28 0.49 1 119 ALA 2.57 -0.04 1 120 THR 0.28 0.10 1 121 HIS -4.68 0.56 1 122 VAL -2.87 0.25 1 123 MET -0.54 0.87 1 124 VAL -2.55 0.49 1 125 ASP -4.77 0.74 1 126 TYR 1.80 0.09 1 127 ASN 1.05 -0.38 1 128 HIS 1.75 -0.60 1 130 LEU -0.36 0.16 1 131 ALA 1.51 -0.14 1 133 LYS -1.38 0.30 1 134 THR 2.26 0.32 1 135 LEU -4.39 0.56 1 136 ALA -2.50 0.96 1 137 PHE -4.22 0.82 1 140 LYS -3.79 -0.08 1 141 VAL 0.81 0.19 1 142 LEU 1.42 -0.13 1 144 PHE -5.35 0.92 1 145 ARG -4.04 0.43 1 146 GLU -0.80 0.26 1 147 VAL -0.62 0.04 1 148 SER -1.15 0.16 1 149 GLU -0.39 -0.03 1 150 GLU -0.87 -0.04 1 151 GLU 0.61 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16629_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.02 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 1.61 _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 151 GLU 0.61 4.56 0 10 LYS -1.24 -1.46 1 11 GLN -4.69 -2.47 1 12 ALA -5.51 -1.73 1 13 ALA -5.90 -2.97 1 14 LEU -4.59 -0.35 1 15 ILE -6.80 -1.36 1 16 GLU -6.12 -1.01 1 17 TYR -4.76 -3.45 1 18 GLU -5.20 -2.44 1 19 VAL -5.13 -3.93 1 20 ARG -6.03 -1.46 1 21 GLU 0.36 -0.34 1 22 GLN 3.62 1.10 1 24 SER -3.27 -0.07 1 25 SER 0.18 0.07 1 26 ILE 0.51 -0.59 1 27 VAL 2.49 0.36 1 28 LEU 0.27 -0.64 1 29 ASP -2.85 -2.50 1 30 SER -2.94 -0.49 1 31 ASN -0.88 0.49 1 32 ILE 4.39 1.95 1 33 SER 2.82 -1.09 1 34 LYS -1.25 -1.52 1 35 GLU 0.24 -0.62 1 37 LEU -1.72 -3.04 1 38 GLU -5.06 -1.10 1 40 ILE 1.26 1.10 1 41 ILE 2.23 1.60 1 43 THR -1.04 -0.19 1 44 ASN 2.91 0.30 1 45 GLN 1.54 0.43 1 46 ILE -6.64 -1.12 1 47 ILE 2.07 0.86 1 48 ALA 3.21 3.75 1 50 LEU 1.98 -1.27 1 51 GLU 5.90 0.59 1 52 LYS 3.94 2.08 1 53 ALA 2.66 2.89 1 54 VAL 5.41 1.27 1 55 LEU 2.75 0.22 1 56 LYS -1.32 -0.67 1 57 ALA -2.06 0.14 1 58 GLN -0.86 0.55 1 59 ILE 3.40 1.75 1 61 GLU -4.95 -1.10 1 62 TRP 0.69 0.36 1 63 GLU -5.07 -2.28 1 64 GLU -5.47 -0.38 1 65 VAL -4.67 -4.19 1 66 VAL -0.22 -0.27 1 67 ILE -2.21 -2.55 1 68 ALA 0.69 0.22 1 70 GLU 4.98 1.25 1 71 GLU -1.89 -3.28 1 72 ALA -1.47 -1.76 1 73 TYR 3.67 -1.53 1 75 VAL -0.09 -0.86 1 76 TYR 1.42 -0.70 1 77 GLU -2.68 0.84 1 78 SER 4.85 1.90 1 79 SER 3.01 0.71 1 80 TYR -0.71 -1.92 1 81 LEU -0.18 -1.48 1 82 GLN -4.73 -2.34 1 83 GLU -2.59 -0.20 1 84 VAL -3.25 -1.35 1 86 ARG 3.52 1.43 1 87 ASP 3.46 1.26 1 88 GLN 2.73 -0.17 1 89 PHE -0.69 -0.92 1 90 GLU 2.10 0.97 1 92 ILE -1.84 -0.96 1 93 GLU 0.12 -1.51 1 94 LEU -0.38 -1.99 1 95 GLU -5.57 -1.06 1 96 LYS 4.21 1.07 1 98 MET -1.14 -1.97 1 99 SER -1.08 -0.54 1 100 VAL -4.48 -2.13 1 101 PHE -1.70 0.50 1 103 GLN -3.38 0.75 1 104 THR -2.27 1.70 1 105 GLU 2.30 -0.11 1 106 ASP 0.63 -0.99 1 107 ASN 3.04 -0.56 1 108 GLN -0.99 -0.23 1 109 THR 0.82 -0.33 1 110 ILE -3.27 -2.21 1 111 GLN -1.66 -2.22 1 112 ALA -5.75 -2.24 1 113 ILE -5.20 0.13 1 114 ILE 2.06 -0.84 1 115 LYS -0.66 -0.71 1 116 ASP -3.63 -2.50 1 117 PHE -2.27 -2.87 1 118 SER -6.28 -0.14 1 119 ALA 2.57 1.17 1 120 THR 0.28 1.19 1 121 HIS -4.68 -1.58 1 122 VAL -2.87 -2.43 1 123 MET -0.54 -1.71 1 124 VAL -2.55 -3.04 1 125 ASP -4.77 1.19 1 126 TYR 1.80 0.79 1 127 ASN 1.05 0.55 1 128 HIS 1.75 3.72 1 130 LEU -0.36 0.38 1 131 ALA 1.51 1.65 1 133 LYS -1.38 -1.01 1 134 THR 2.26 -0.33 1 135 LEU -4.39 -3.50 1 136 ALA -2.50 -1.31 1 137 PHE -4.22 0.10 1 138 ARG -2.18 -0.79 1 139 PHE -5.37 -5.24 1 140 LYS -3.79 -1.61 1 141 VAL 0.81 -0.52 1 142 LEU 1.42 0.69 1 144 PHE -5.35 -0.11 1 145 ARG -4.04 -2.04 1 146 GLU -0.80 -0.13 1 147 VAL -0.62 -0.90 1 148 SER -1.15 0.01 1 149 GLU -0.39 -0.33 1 150 GLU -0.87 -0.98 1 stop_ save_