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 bmr15595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.22 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.76 _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 105 LEU -6.22 -1.28 0 10 ASP 0.26 0.44 1 11 ASN 0.14 0.07 1 12 LEU 1.08 0.79 1 13 GLU 0.61 0.74 1 14 ASP 1.26 1.12 1 15 ILE 1.98 1.69 1 16 GLU 1.72 1.47 1 17 LYS 2.33 1.71 1 18 GLN 2.65 1.70 1 19 PHE 0.94 0.39 1 20 ALA 2.76 2.32 1 21 VAL 4.49 3.47 1 22 VAL 4.08 3.01 1 23 ALA 2.80 1.67 1 24 VAL 5.82 4.70 1 25 GLU 3.25 2.75 1 26 GLN 7.73 4.29 1 27 ALA 2.96 2.83 1 28 GLU 3.38 3.12 1 29 THR 5.97 5.00 1 30 TYR 3.36 2.84 1 31 TRP 3.28 3.01 1 32 LYS 4.37 3.17 1 33 LEU 4.40 3.74 1 34 LEU 1.80 1.25 1 35 THR 0.60 1.19 1 36 SER 0.22 1.59 1 37 VAL -4.54 -1.48 1 40 SER 3.76 2.12 1 41 LYS -0.10 -0.68 1 42 LEU -2.56 -0.40 1 43 ARG -2.30 -2.05 1 44 LEU 1.19 1.98 1 45 THR -5.91 -1.96 1 46 LYS 1.75 0.55 1 47 PHE -2.79 -1.69 1 48 ASP 6.26 4.68 1 49 ASP 5.63 3.94 1 50 GLU 2.63 3.18 1 51 ILE 6.88 5.56 1 52 TYR 5.09 5.02 1 53 GLU 3.35 2.90 1 54 ASN 2.97 4.48 1 55 PHE 1.79 1.15 1 56 MET -0.98 0.67 1 57 GLU 1.72 2.27 1 58 ARG 1.05 0.35 1 59 PHE -0.59 -0.90 1 61 GLU 4.55 1.77 1 62 TYR 3.23 0.43 1 63 LYS 2.59 2.01 1 64 ASP -1.61 -1.55 1 65 VAL 4.19 3.06 1 66 GLU 3.32 2.45 1 67 ARG 1.87 0.57 1 68 VAL 0.91 0.78 1 69 LYS 4.38 4.71 1 70 LYS -4.18 -1.44 1 71 PHE -4.99 -2.70 1 72 THR -4.55 -2.91 1 73 GLU 3.91 3.59 1 74 GLU 3.98 3.60 1 75 GLU 1.63 1.42 1 76 LEU 0.76 0.93 1 77 LYS -1.10 0.22 1 78 THR -0.94 -0.30 1 79 LYS 5.25 4.50 1 80 GLU 3.46 2.65 1 81 ALA 3.45 3.23 1 82 LYS 5.50 5.01 1 83 GLU 2.93 2.25 1 84 ARG 3.07 4.20 1 85 TRP 4.51 3.49 1 86 ARG 5.31 4.28 1 87 LYS 3.95 3.26 1 88 PHE 3.05 3.57 1 89 PHE 2.69 0.19 1 90 THR 4.26 3.87 1 91 ILE 3.61 2.86 1 92 PHE -0.91 1.64 1 93 GLU 3.64 2.44 1 94 LYS 0.59 -0.13 1 95 LYS -1.03 1.03 1 96 ILE -0.59 -2.65 1 97 GLU 3.13 2.76 1 98 ASP 0.74 -1.63 1 99 TYR 5.16 3.46 1 100 ASN -1.09 -2.34 1 101 PHE 0.64 -0.62 1 103 THR -4.26 -0.36 1 104 LEU -2.16 -0.54 1 106 ARG -0.73 -0.87 1 107 THR 2.75 0.59 1 108 ASP -5.30 -2.69 1 109 ALA 1.97 1.78 1 110 SER 0.98 0.44 1 111 ALA -5.38 -2.17 1 112 GLU -2.88 -1.75 1 113 TYR 3.70 2.45 1 115 GLN 3.98 3.10 1 116 PHE 0.78 -0.02 1 117 THR -0.71 -1.22 1 118 THR -4.64 -1.51 1 120 PHE -0.53 0.40 1 121 VAL -4.75 -3.10 1 122 VAL -2.37 -1.84 1 123 ARG 5.78 3.08 1 124 LEU 2.24 2.80 1 125 GLN 4.70 3.42 1 126 PHE 4.97 3.63 1 127 TYR 3.41 1.32 1 128 ALA 7.67 3.75 1 129 PHE 5.29 6.33 1 130 GLU 5.94 3.46 1 131 ILE 5.80 4.74 1 132 ALA 4.07 3.46 1 133 ARG 5.16 4.22 1 134 ASN 4.21 2.34 1 135 LYS 3.91 2.74 1 136 HIS -1.09 1.13 1 138 LEU 1.72 1.32 1 139 ASN -2.98 -1.05 1 140 ASP 6.37 3.85 1 141 TRP 1.72 -0.32 1 142 ILE 3.01 2.36 1 143 VAL 3.40 1.60 1 145 GLN 0.72 0.04 1 146 LYS 0.71 1.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.22 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _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 105 LEU -6.22 4.94 0 10 ASP 0.26 0.18 1 11 ASN 0.14 -0.07 1 12 LEU 1.08 -0.29 1 13 GLU 0.61 0.13 1 14 ASP 1.26 -0.14 1 15 ILE 1.98 -0.29 1 16 GLU 1.72 -0.25 1 17 LYS 2.33 -0.62 1 18 GLN 2.65 -0.95 1 19 PHE 0.94 -0.55 1 20 ALA 2.76 -0.44 1 21 VAL 4.49 -1.02 1 22 VAL 4.08 -1.07 1 23 ALA 2.80 -1.13 1 24 VAL 5.82 -1.12 1 25 GLU 3.25 -0.50 1 26 GLN 7.73 -3.44 1 27 ALA 2.96 -0.13 1 28 GLU 3.38 -0.26 1 29 THR 5.97 -0.97 1 30 TYR 3.36 -0.52 1 31 TRP 3.28 -0.27 1 32 LYS 4.37 -1.20 1 33 LEU 4.40 -0.66 1 34 LEU 1.80 -0.55 1 35 THR 0.60 0.59 1 36 SER 0.22 1.37 1 37 VAL -4.54 3.06 1 40 SER 3.76 -1.64 1 41 LYS -0.10 -0.58 1 42 LEU -2.56 2.16 1 43 ARG -2.30 0.25 1 44 LEU 1.19 0.79 1 45 THR -5.91 3.95 1 46 LYS 1.75 -1.20 1 47 PHE -2.79 1.10 1 48 ASP 6.26 -1.58 1 49 ASP 5.63 -1.69 1 50 GLU 2.63 0.55 1 51 ILE 6.88 -1.32 1 52 TYR 5.09 -0.07 1 53 GLU 3.35 -0.45 1 54 ASN 2.97 1.51 1 55 PHE 1.79 -0.64 1 56 MET -0.98 1.65 1 57 GLU 1.72 0.55 1 58 ARG 1.05 -0.70 1 59 PHE -0.59 -0.31 1 61 GLU 4.55 -2.78 1 62 TYR 3.23 -2.80 1 63 LYS 2.59 -0.58 1 64 ASP -1.61 0.06 1 65 VAL 4.19 -1.13 1 66 GLU 3.32 -0.87 1 67 ARG 1.87 -1.30 1 68 VAL 0.91 -0.13 1 69 LYS 4.38 0.33 1 70 LYS -4.18 2.74 1 71 PHE -4.99 2.29 1 72 THR -4.55 1.64 1 73 GLU 3.91 -0.32 1 74 GLU 3.98 -0.38 1 75 GLU 1.63 -0.21 1 76 LEU 0.76 0.17 1 77 LYS -1.10 1.32 1 78 THR -0.94 0.64 1 79 LYS 5.25 -0.75 1 80 GLU 3.46 -0.81 1 81 ALA 3.45 -0.22 1 82 LYS 5.50 -0.49 1 83 GLU 2.93 -0.68 1 84 ARG 3.07 1.13 1 85 TRP 4.51 -1.02 1 86 ARG 5.31 -1.03 1 87 LYS 3.95 -0.69 1 88 PHE 3.05 0.52 1 89 PHE 2.69 -2.50 1 90 THR 4.26 -0.39 1 91 ILE 3.61 -0.75 1 92 PHE -0.91 2.55 1 93 GLU 3.64 -1.20 1 94 LYS 0.59 -0.72 1 95 LYS -1.03 2.06 1 96 ILE -0.59 -2.06 1 97 GLU 3.13 -0.37 1 98 ASP 0.74 -2.37 1 99 TYR 5.16 -1.70 1 100 ASN -1.09 -1.25 1 101 PHE 0.64 -1.26 1 103 THR -4.26 3.90 1 104 LEU -2.16 1.62 1 106 ARG -0.73 -0.14 1 107 THR 2.75 -2.16 1 108 ASP -5.30 2.61 1 109 ALA 1.97 -0.19 1 110 SER 0.98 -0.54 1 111 ALA -5.38 3.21 1 112 GLU -2.88 1.13 1 113 TYR 3.70 -1.25 1 115 GLN 3.98 -0.88 1 116 PHE 0.78 -0.80 1 117 THR -0.71 -0.51 1 118 THR -4.64 3.13 1 120 PHE -0.53 0.93 1 121 VAL -4.75 1.65 1 122 VAL -2.37 0.53 1 123 ARG 5.78 -2.70 1 124 LEU 2.24 0.56 1 125 GLN 4.70 -1.28 1 126 PHE 4.97 -1.34 1 127 TYR 3.41 -2.09 1 128 ALA 7.67 -3.92 1 129 PHE 5.29 1.04 1 130 GLU 5.94 -2.48 1 131 ILE 5.80 -1.06 1 132 ALA 4.07 -0.61 1 133 ARG 5.16 -0.94 1 134 ASN 4.21 -1.87 1 135 LYS 3.91 -1.17 1 136 HIS -1.09 2.22 1 138 LEU 1.72 -0.40 1 139 ASN -2.98 1.93 1 140 ASP 6.37 -2.52 1 141 TRP 1.72 -2.04 1 142 ILE 3.01 -0.65 1 143 VAL 3.40 -1.80 1 145 GLN 0.72 -0.68 1 146 LYS 0.71 0.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.22 _LACS_plot.Line_1_terminator_val_y_1 0.61 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ILE 3.01 -1.70 0 10 ASP 0.26 -0.09 1 11 ASN 0.14 -0.05 1 12 LEU 1.08 -0.14 1 13 GLU 0.61 -0.19 1 14 ASP 1.26 -0.11 1 15 ILE 1.98 -0.17 1 16 GLU 1.72 -0.44 1 17 LYS 2.33 -0.27 1 18 GLN 2.65 -0.31 1 19 PHE 0.94 -0.06 1 20 ALA 2.76 -0.25 1 21 VAL 4.49 -0.38 1 22 VAL 4.08 -0.23 1 23 ALA 2.80 0.14 1 24 VAL 5.82 -0.60 1 25 GLU 3.25 -0.29 1 26 GLN 7.73 -0.46 1 27 ALA 2.96 -0.55 1 28 GLU 3.38 -0.45 1 29 THR 5.97 -0.47 1 30 TYR 3.36 0.04 1 31 TRP 3.28 -0.68 1 32 LYS 4.37 -0.48 1 33 LEU 4.40 -0.30 1 34 LEU 1.80 -0.25 1 35 THR 0.60 -0.35 1 36 SER 0.22 -0.01 1 37 VAL -4.54 -0.06 1 40 SER 3.76 -0.24 1 41 LYS -0.10 0.14 1 42 LEU -2.56 0.07 1 43 ARG -2.30 0.40 1 44 LEU 1.19 0.00 1 45 THR -5.91 0.28 1 46 LYS 1.75 -0.27 1 47 PHE -2.79 0.52 1 48 ASP 6.26 -0.55 1 49 ASP 5.63 -0.19 1 50 GLU 2.63 0.01 1 51 ILE 6.88 -0.51 1 52 TYR 5.09 -0.25 1 53 GLU 3.35 -0.44 1 54 ASN 2.97 -0.14 1 55 PHE 1.79 -0.17 1 56 MET -0.98 -0.61 1 57 GLU 1.72 -0.38 1 58 ARG 1.05 -0.35 1 59 PHE -0.59 -0.66 1 61 GLU 4.55 -0.29 1 62 TYR 3.23 -0.12 1 63 LYS 2.59 -0.15 1 64 ASP -1.61 -0.03 1 65 VAL 4.19 -0.70 1 66 GLU 3.32 -0.29 1 67 ARG 1.87 0.33 1 68 VAL 0.91 0.45 1 69 LYS 4.38 -0.51 1 70 LYS -4.18 1.19 1 71 PHE -4.99 0.76 1 72 THR -4.55 0.34 1 73 GLU 3.91 -0.42 1 74 GLU 3.98 -0.41 1 75 GLU 1.63 0.12 1 76 LEU 0.76 0.26 1 77 LYS -1.10 0.29 1 78 THR -0.94 0.11 1 79 LYS 5.25 -0.33 1 80 GLU 3.46 -0.22 1 81 ALA 3.45 -0.14 1 82 LYS 5.50 -0.18 1 83 GLU 2.93 -0.03 1 84 ARG 3.07 -0.47 1 85 TRP 4.51 -0.28 1 86 ARG 5.31 -0.43 1 87 LYS 3.95 -0.19 1 88 PHE 3.05 -0.38 1 89 PHE 2.69 -0.11 1 90 THR 4.26 -0.37 1 91 ILE 3.61 -0.75 1 92 PHE -0.91 -0.33 1 93 GLU 3.64 -1.12 1 94 LYS 0.59 0.07 1 95 LYS -1.03 0.03 1 96 ILE -0.59 0.32 1 97 GLU 3.13 -0.16 1 98 ASP 0.74 -0.71 1 99 TYR 5.16 -0.90 1 100 ASN -1.09 -0.54 1 101 PHE 0.64 -0.51 1 103 THR -4.26 -0.02 1 104 LEU -2.16 0.46 1 105 LEU -6.22 0.62 1 106 ARG -0.73 0.53 1 107 THR 2.75 -1.38 1 108 ASP -5.30 0.81 1 109 ALA 1.97 -0.12 1 110 SER 0.98 -0.07 1 111 ALA -5.38 0.43 1 112 GLU -2.88 -0.02 1 113 TYR 3.70 -0.80 1 115 GLN 3.98 -0.53 1 116 PHE 0.78 0.35 1 117 THR -0.71 0.24 1 118 THR -4.64 0.88 1 120 PHE -0.53 0.37 1 121 VAL -4.75 0.58 1 122 VAL -2.37 0.49 1 123 ARG 5.78 -0.81 1 124 LEU 2.24 0.08 1 125 GLN 4.70 -0.65 1 126 PHE 4.97 -0.37 1 127 TYR 3.41 -0.53 1 128 ALA 7.67 -0.90 1 129 PHE 5.29 -0.81 1 130 GLU 5.94 -0.44 1 131 ILE 5.80 -0.35 1 132 ALA 4.07 -0.11 1 133 ARG 5.16 -0.47 1 134 ASN 4.21 0.06 1 135 LYS 3.91 -0.40 1 136 HIS -1.09 0.05 1 138 LEU 1.72 -0.14 1 139 ASN -2.98 0.69 1 140 ASP 6.37 -0.20 1 141 TRP 1.72 -0.32 1 143 VAL 3.40 -0.49 1 145 GLN 0.72 -0.01 1 146 LYS 0.71 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.22 _LACS_plot.Line_1_terminator_val_y_1 -1.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.36 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 139 ASN -2.98 3.09 0 103 THR -4.26 -3.85 0 70 LYS -4.18 -3.94 0 99 TYR 5.16 -2.64 0 10 ASP 0.26 -0.24 1 11 ASN 0.14 0.14 1 12 LEU 1.08 0.09 1 13 GLU 0.61 0.32 1 14 ASP 1.26 0.86 1 15 ILE 1.98 0.29 1 16 GLU 1.72 0.89 1 17 LYS 2.33 1.39 1 18 GLN 2.65 1.17 1 19 PHE 0.94 0.43 1 20 ALA 2.76 1.18 1 21 VAL 4.49 2.02 1 22 VAL 4.08 1.90 1 23 ALA 2.80 3.48 1 24 VAL 5.82 1.68 1 25 GLU 3.25 2.67 1 26 GLN 7.73 2.02 1 27 ALA 2.96 1.22 1 28 GLU 3.38 3.29 1 29 THR 5.97 1.56 1 30 TYR 3.36 0.54 1 31 TRP 3.28 2.51 1 32 LYS 4.37 4.16 1 33 LEU 4.40 0.90 1 34 LEU 1.80 0.02 1 35 THR 0.60 1.20 1 36 SER 0.22 -1.35 1 40 SER 3.76 2.02 1 41 LYS -0.10 -0.53 1 42 LEU -2.56 -0.64 1 43 ARG -2.30 0.17 1 44 LEU 1.19 -0.73 1 45 THR -5.91 0.37 1 46 LYS 1.75 -0.67 1 47 PHE -2.79 0.21 1 48 ASP 6.26 1.83 1 49 ASP 5.63 1.83 1 50 GLU 2.63 4.58 1 51 ILE 6.88 0.94 1 52 TYR 5.09 1.06 1 53 GLU 3.35 3.63 1 54 ASN 2.97 1.58 1 55 PHE 1.79 1.66 1 56 MET -0.98 2.22 1 57 GLU 1.72 -0.88 1 58 ARG 1.05 -0.08 1 61 GLU 4.55 1.59 1 62 TYR 3.23 -2.27 1 63 LYS 2.59 1.31 1 64 ASP -1.61 0.16 1 65 VAL 4.19 0.83 1 66 GLU 3.32 2.78 1 67 ARG 1.87 0.32 1 68 VAL 0.91 1.41 1 69 LYS 4.38 -0.37 1 71 PHE -4.99 -2.09 1 72 THR -4.55 -0.24 1 73 GLU 3.91 2.09 1 74 GLU 3.98 2.91 1 75 GLU 1.63 0.98 1 76 LEU 0.76 0.44 1 77 LYS -1.10 0.03 1 78 THR -0.94 -0.18 1 79 LYS 5.25 3.00 1 80 GLU 3.46 2.37 1 81 ALA 3.45 2.42 1 82 LYS 5.50 3.34 1 83 GLU 2.93 2.04 1 84 ARG 3.07 4.53 1 85 TRP 4.51 0.62 1 86 ARG 5.31 3.48 1 87 LYS 3.95 2.60 1 88 PHE 3.05 1.46 1 89 PHE 2.69 2.98 1 90 THR 4.26 1.16 1 91 ILE 3.61 1.27 1 92 PHE -0.91 -0.04 1 93 GLU 3.64 2.05 1 94 LYS 0.59 0.48 1 95 LYS -1.03 -1.41 1 96 ILE -0.59 -0.79 1 97 GLU 3.13 -0.04 1 98 ASP 0.74 1.66 1 100 ASN -1.09 0.06 1 104 LEU -2.16 -0.97 1 105 LEU -6.22 -1.91 1 106 ARG -0.73 2.82 1 107 THR 2.75 -2.69 1 108 ASP -5.30 0.65 1 109 ALA 1.97 0.35 1 110 SER 0.98 -2.34 1 111 ALA -5.38 -1.39 1 112 GLU -2.88 1.28 1 113 TYR 3.70 -0.71 1 115 GLN 3.98 1.10 1 116 PHE 0.78 1.11 1 117 THR -0.71 -0.29 1 118 THR -4.64 -1.58 1 120 PHE -0.53 -0.46 1 121 VAL -4.75 -0.89 1 122 VAL -2.37 3.04 1 123 ARG 5.78 1.20 1 124 LEU 2.24 0.20 1 125 GLN 4.70 0.81 1 126 PHE 4.97 -0.28 1 127 TYR 3.41 0.74 1 128 ALA 7.67 -0.11 1 129 PHE 5.29 3.64 1 130 GLU 5.94 1.88 1 131 ILE 5.80 2.35 1 132 ALA 4.07 1.06 1 133 ARG 5.16 1.89 1 134 ASN 4.21 4.39 1 135 LYS 3.91 2.02 1 136 HIS -1.09 1.08 1 138 LEU 1.72 -1.84 1 140 ASP 6.37 0.12 1 141 TRP 1.72 -0.07 1 142 ILE 3.01 -0.55 1 143 VAL 3.40 1.42 1 145 GLN 0.72 -1.17 1 stop_ save_