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 bmr18553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.11 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _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 -0.91 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 3.19 _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 72 VAL -9.11 -10.10 0 10 LYS -0.31 -0.20 1 11 LEU -0.09 0.11 1 12 GLU -3.34 -0.37 1 13 ILE -0.07 -0.05 1 14 TYR -5.16 -4.93 1 15 ASN -0.63 -0.19 1 16 GLU 0.55 0.77 1 17 THR 0.65 0.49 1 18 ASP 0.43 0.37 1 19 MET 0.70 0.38 1 20 ALA 0.61 0.55 1 21 SER 0.21 0.16 1 22 ALA 0.22 0.27 1 23 SER 0.38 0.35 1 25 TYR -0.36 -0.11 1 26 THR -1.10 -0.81 1 28 VAL 0.17 0.02 1 30 SER -0.51 -0.18 1 31 VAL 0.44 -0.01 1 32 SER -0.15 -0.10 1 33 GLU -3.31 -0.25 1 36 TYR 0.25 0.23 1 37 ILE -0.75 -0.60 1 38 GLU -0.18 0.14 1 39 THR 0.01 -0.01 1 40 GLU -0.61 -0.02 1 41 THR 0.13 0.11 1 42 ILE -0.06 -0.05 1 43 SER -0.25 -0.02 1 44 ASN -0.54 -0.31 1 45 THR 0.36 0.48 1 47 SER -4.42 -3.02 1 49 ASP 2.19 2.08 1 50 LEU -2.12 -1.13 1 51 THR 2.52 2.71 1 52 VAL -5.54 -2.49 1 53 MET -1.72 0.73 1 54 SER -3.93 -1.47 1 55 ILE -6.67 -2.30 1 56 ASP -3.38 -4.93 1 57 LYS -3.74 -0.46 1 58 SER -0.51 0.21 1 59 VAL -3.01 -1.53 1 60 LEU -5.87 -1.96 1 61 SER 1.07 0.38 1 64 GLU -3.38 -0.25 1 65 SER -4.01 -1.31 1 66 ALA -7.58 -2.34 1 67 THR -0.22 0.58 1 68 ILE -1.13 -0.08 1 69 THR -0.76 0.08 1 70 THR -5.84 -4.14 1 71 ILE -1.76 -1.07 1 73 LYS -8.44 -2.13 1 74 ASP -3.16 -1.74 1 75 ILE 2.55 2.33 1 76 ASP -0.91 0.14 1 80 VAL -0.45 -1.09 1 81 ASN 0.96 1.89 1 82 GLU -1.82 -0.88 1 83 VAL -3.15 -2.21 1 84 HIS -0.19 1.65 1 85 ILE -2.47 -1.36 1 86 ASN -4.53 -1.50 1 87 LYS -3.50 -1.84 1 88 THR -2.53 -0.60 1 89 VAL -2.33 -1.08 1 90 ALA -2.91 -1.79 1 91 ARG -2.36 -2.39 1 92 GLU 0.35 2.51 1 93 ASN -1.10 0.74 1 94 LEU 5.56 2.89 1 95 LYS -0.46 0.52 1 97 LEU -3.22 -1.74 1 98 TRP -6.34 -2.22 1 99 ASP -4.56 -1.18 1 100 TYR -3.03 -2.54 1 103 LEU 0.68 0.06 1 104 LYS -2.55 -0.71 1 105 LYS 0.11 -0.31 1 106 GLU -1.98 -1.44 1 107 ASN 2.42 0.85 1 108 VAL -2.71 -0.56 1 111 LYS -3.03 -0.41 1 112 TYR -4.81 -1.74 1 113 THR -6.85 -2.87 1 114 GLN -3.81 0.16 1 115 VAL -0.00 0.19 1 116 ILE -3.37 -1.63 1 117 THR -1.18 0.10 1 118 TYR -4.62 -2.75 1 119 ARG -1.30 -1.64 1 121 HIS 1.39 2.20 1 122 SER -3.34 -0.84 1 123 ASN 2.05 1.48 1 124 GLU -0.65 1.98 1 125 ARG -2.64 -1.37 1 126 ILE -3.80 -2.01 1 127 ASP -3.42 -1.54 1 128 ILE -0.83 -0.55 1 129 SER -3.15 -2.28 1 130 PHE -5.42 -5.26 1 131 LYS -2.73 -1.88 1 132 TYR -1.27 -1.10 1 133 ALA 2.04 0.53 1 134 MET 4.38 1.17 1 135 SER -0.02 1.36 1 136 PHE -2.35 -1.73 1 137 THR -3.78 -1.72 1 138 LYS -4.86 -1.43 1 139 GLU -6.04 -1.56 1 140 ILE -7.21 -2.46 1 141 SER -2.68 -0.81 1 142 ILE -4.12 -1.04 1 143 ARG -2.48 -0.88 1 145 ARG -4.55 -2.26 1 146 LEU 1.42 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.11 _LACS_plot.Line_1_terminator_val_y_1 5.59 _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 1.09 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _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 72 VAL -9.11 -0.99 0 10 LYS -0.31 0.11 1 11 LEU -0.09 0.20 1 12 GLU -3.34 2.97 1 13 ILE -0.07 0.02 1 14 TYR -5.16 0.23 1 15 ASN -0.63 0.44 1 16 GLU 0.55 0.22 1 17 THR 0.65 -0.16 1 18 ASP 0.43 -0.06 1 19 MET 0.70 -0.32 1 20 ALA 0.61 -0.06 1 21 SER 0.21 -0.05 1 22 ALA 0.22 0.05 1 23 SER 0.38 -0.03 1 25 TYR -0.36 0.25 1 26 THR -1.10 0.29 1 28 VAL 0.17 -0.15 1 30 SER -0.51 0.33 1 31 VAL 0.44 -0.45 1 32 SER -0.15 0.05 1 33 GLU -3.31 3.06 1 36 TYR 0.25 -0.02 1 37 ILE -0.75 0.15 1 38 GLU -0.18 0.32 1 39 THR 0.01 -0.02 1 40 GLU -0.61 0.59 1 41 THR 0.13 -0.02 1 42 ILE -0.06 0.01 1 43 SER -0.25 0.23 1 44 ASN -0.54 0.23 1 45 THR 0.36 0.12 1 47 SER -4.42 1.40 1 49 ASP 2.19 -0.11 1 50 LEU -2.12 0.99 1 51 THR 2.52 0.19 1 52 VAL -5.54 3.05 1 53 MET -1.72 2.45 1 54 SER -3.93 2.46 1 55 ILE -6.67 4.37 1 56 ASP -3.38 -1.55 1 57 LYS -3.74 3.28 1 58 SER -0.51 0.72 1 59 VAL -3.01 1.48 1 60 LEU -5.87 3.91 1 61 SER 1.07 -0.69 1 64 GLU -3.38 3.13 1 65 SER -4.01 2.70 1 66 ALA -7.58 5.24 1 67 THR -0.22 0.80 1 68 ILE -1.13 1.05 1 69 THR -0.76 0.84 1 70 THR -5.84 1.70 1 71 ILE -1.76 0.69 1 73 LYS -8.44 6.31 1 74 ASP -3.16 1.42 1 75 ILE 2.55 -0.22 1 76 ASP -0.91 1.05 1 80 VAL -0.45 -0.64 1 81 ASN 0.96 0.93 1 82 GLU -1.82 0.94 1 83 VAL -3.15 0.94 1 84 HIS -0.19 1.84 1 85 ILE -2.47 1.11 1 86 ASN -4.53 3.03 1 87 LYS -3.50 1.66 1 88 THR -2.53 1.93 1 89 VAL -2.33 1.25 1 90 ALA -2.91 1.12 1 91 ARG -2.36 -0.03 1 92 GLU 0.35 2.16 1 93 ASN -1.10 1.84 1 94 LEU 5.56 -2.67 1 95 LYS -0.46 0.98 1 97 LEU -3.22 1.48 1 98 TRP -6.34 4.12 1 99 ASP -4.56 3.38 1 100 TYR -3.03 0.49 1 103 LEU 0.68 -0.62 1 104 LYS -2.55 1.84 1 105 LYS 0.11 -0.42 1 106 GLU -1.98 0.54 1 107 ASN 2.42 -1.57 1 108 VAL -2.71 2.15 1 111 LYS -3.03 2.62 1 112 TYR -4.81 3.07 1 113 THR -6.85 3.98 1 114 GLN -3.81 3.97 1 115 VAL -0.00 0.19 1 116 ILE -3.37 1.74 1 117 THR -1.18 1.28 1 118 TYR -4.62 1.87 1 119 ARG -1.30 -0.34 1 121 HIS 1.39 0.81 1 122 SER -3.34 2.50 1 123 ASN 2.05 -0.57 1 124 GLU -0.65 2.63 1 125 ARG -2.64 1.27 1 126 ILE -3.80 1.79 1 127 ASP -3.42 1.88 1 128 ILE -0.83 0.28 1 129 SER -3.15 0.87 1 130 PHE -5.42 0.16 1 131 LYS -2.73 0.85 1 132 TYR -1.27 0.17 1 133 ALA 2.04 -1.51 1 134 MET 4.38 -3.21 1 135 SER -0.02 1.38 1 136 PHE -2.35 0.62 1 137 THR -3.78 2.06 1 138 LYS -4.86 3.43 1 139 GLU -6.04 4.48 1 140 ILE -7.21 4.75 1 141 SER -2.68 1.87 1 142 ILE -4.12 3.08 1 143 ARG -2.48 1.60 1 145 ARG -4.55 2.29 1 146 LEU 1.42 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.11 _LACS_plot.Line_1_terminator_val_y_1 0.99 _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 0.28 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 THR -3.78 1.75 0 72 VAL -9.11 0.22 0 11 LEU -0.09 0.03 1 13 ILE -0.07 0.08 1 14 TYR -5.16 0.15 1 15 ASN -0.63 0.17 1 16 GLU 0.55 -0.11 1 17 THR 0.65 -0.10 1 18 ASP 0.43 -0.05 1 19 MET 0.70 -0.09 1 20 ALA 0.61 0.05 1 21 SER 0.21 -0.02 1 22 ALA 0.22 0.06 1 23 SER 0.38 -0.04 1 25 TYR -0.36 0.09 1 26 THR -1.10 -0.04 1 28 VAL 0.17 -0.19 1 30 SER -0.51 0.00 1 31 VAL 0.44 0.11 1 32 SER -0.15 -0.03 1 33 GLU -3.31 -0.15 1 36 TYR 0.25 -0.03 1 37 ILE -0.75 -0.06 1 38 GLU -0.18 -0.09 1 39 THR 0.01 -0.02 1 40 GLU -0.61 0.01 1 41 THR 0.13 -0.02 1 42 ILE -0.06 0.08 1 43 SER -0.25 0.07 1 44 ASN -0.54 0.17 1 45 THR 0.36 -0.05 1 47 SER -4.42 0.16 1 49 ASP 2.19 -0.31 1 50 LEU -2.12 0.05 1 51 THR 2.52 0.28 1 52 VAL -5.54 0.50 1 53 MET -1.72 0.53 1 54 SER -3.93 0.39 1 55 ILE -6.67 1.12 1 56 ASP -3.38 -0.18 1 57 LYS -3.74 0.29 1 58 SER -0.51 0.19 1 59 VAL -3.01 1.03 1 60 LEU -5.87 0.56 1 61 SER 1.07 0.85 1 64 GLU -3.38 0.14 1 65 SER -4.01 1.36 1 66 ALA -7.58 0.72 1 67 THR -0.22 0.60 1 68 ILE -1.13 0.54 1 69 THR -0.76 0.69 1 70 THR -5.84 1.44 1 71 ILE -1.76 0.94 1 73 LYS -8.44 0.89 1 74 ASP -3.16 0.05 1 75 ILE 2.55 -0.25 1 76 ASP -0.91 0.15 1 80 VAL -0.45 0.05 1 81 ASN 0.96 -0.04 1 82 GLU -1.82 0.21 1 83 VAL -3.15 0.12 1 84 HIS -0.19 -0.33 1 85 ILE -2.47 0.20 1 86 ASN -4.53 0.08 1 87 LYS -3.50 1.26 1 88 THR -2.53 0.19 1 89 VAL -2.33 0.46 1 90 ALA -2.91 0.40 1 91 ARG -2.36 0.17 1 92 GLU 0.35 -0.20 1 93 ASN -1.10 0.17 1 94 LEU 5.56 -0.31 1 95 LYS -0.46 0.17 1 97 LEU -3.22 0.40 1 98 TRP -6.34 0.48 1 99 ASP -4.56 0.24 1 100 TYR -3.03 0.56 1 103 LEU 0.68 0.31 1 104 LYS -2.55 0.27 1 105 LYS 0.11 -0.22 1 106 GLU -1.98 0.17 1 107 ASN 2.42 -0.17 1 108 VAL -2.71 -0.07 1 111 LYS -3.03 1.20 1 112 TYR -4.81 1.12 1 113 THR -6.85 1.50 1 114 GLN -3.81 0.42 1 115 VAL -0.00 0.83 1 116 ILE -3.37 0.73 1 117 THR -1.18 0.70 1 118 TYR -4.62 0.61 1 119 ARG -1.30 0.60 1 121 HIS 1.39 -0.49 1 122 SER -3.34 0.06 1 123 ASN 2.05 0.13 1 124 GLU -0.65 0.07 1 125 ARG -2.64 0.96 1 126 ILE -3.80 0.83 1 127 ASP -3.42 0.78 1 128 ILE -0.83 0.36 1 129 SER -3.15 0.94 1 130 PHE -5.42 0.54 1 131 LYS -2.73 0.71 1 132 TYR -1.27 -0.20 1 133 ALA 2.04 -0.17 1 134 MET 4.38 -0.71 1 135 SER -0.02 0.31 1 136 PHE -2.35 0.50 1 138 LYS -4.86 0.50 1 139 GLU -6.04 1.19 1 140 ILE -7.21 0.40 1 141 SER -2.68 1.05 1 142 ILE -4.12 0.40 1 143 ARG -2.48 0.62 1 145 ARG -4.55 0.60 1 146 LEU 1.42 -0.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18553_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.11 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 0.93 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 ASN -0.54 -34.53 0 10 LYS -0.31 -0.99 1 11 LEU -0.09 -2.45 1 12 GLU -3.34 -1.37 1 13 ILE -0.07 -1.56 1 14 TYR -5.16 -0.75 1 15 ASN -0.63 -0.31 1 16 GLU 0.55 0.22 1 17 THR 0.65 -0.21 1 18 ASP 0.43 0.26 1 19 MET 0.70 0.24 1 20 ALA 0.61 0.38 1 21 SER 0.21 0.12 1 22 ALA 0.22 0.14 1 23 SER 0.38 0.47 1 25 TYR -0.36 -0.56 1 26 THR -1.10 -1.39 1 30 SER -0.51 0.08 1 31 VAL 0.44 -0.16 1 32 SER -0.15 -0.14 1 33 GLU -3.31 -0.59 1 36 TYR 0.25 -0.73 1 37 ILE -0.75 -0.88 1 38 GLU -0.18 -0.17 1 39 THR 0.01 -0.31 1 40 GLU -0.61 -0.19 1 41 THR 0.13 -0.42 1 42 ILE -0.06 -0.20 1 43 SER -0.25 -0.76 1 45 THR 0.36 -0.65 1 47 SER -4.42 1.53 1 49 ASP 2.19 0.93 1 50 LEU -2.12 -0.41 1 51 THR 2.52 -1.47 1 52 VAL -5.54 -0.67 1 53 MET -1.72 -3.41 1 54 SER -3.93 -3.76 1 55 ILE -6.67 -2.49 1 56 ASP -3.38 0.23 1 57 LYS -3.74 -3.16 1 58 SER -0.51 -0.53 1 59 VAL -3.01 -1.90 1 60 LEU -5.87 -2.64 1 61 SER 1.07 -0.69 1 64 GLU -3.38 -2.13 1 65 SER -4.01 -1.84 1 66 ALA -7.58 -1.97 1 67 THR -0.22 0.93 1 68 ILE -1.13 -0.63 1 69 THR -0.76 -0.71 1 70 THR -5.84 -4.22 1 71 ILE -1.76 -1.20 1 72 VAL -9.11 -1.01 1 73 LYS -8.44 -1.26 1 74 ASP -3.16 1.43 1 75 ILE 2.55 -0.99 1 76 ASP -0.91 0.03 1 81 ASN 0.96 -0.16 1 82 GLU -1.82 -2.70 1 83 VAL -3.15 -4.17 1 84 HIS -0.19 0.11 1 85 ILE -2.47 -1.87 1 86 ASN -4.53 -1.45 1 87 LYS -3.50 -1.23 1 88 THR -2.53 -2.33 1 89 VAL -2.33 -1.55 1 90 ALA -2.91 -1.39 1 91 ARG -2.36 -0.19 1 92 GLU 0.35 0.59 1 93 ASN -1.10 -0.03 1 94 LEU 5.56 0.06 1 95 LYS -0.46 1.83 1 97 LEU -3.22 -3.14 1 98 TRP -6.34 -1.28 1 99 ASP -4.56 -1.96 1 100 TYR -3.03 0.54 1 103 LEU 0.68 -1.60 1 104 LYS -2.55 -1.68 1 105 LYS 0.11 0.41 1 106 GLU -1.98 -0.65 1 107 ASN 2.42 0.09 1 108 VAL -2.71 -1.35 1 111 LYS -3.03 -1.79 1 112 TYR -4.81 -0.50 1 113 THR -6.85 -0.82 1 114 GLN -3.81 -1.96 1 115 VAL -0.00 -0.70 1 116 ILE -3.37 -1.69 1 117 THR -1.18 -1.71 1 118 TYR -4.62 -0.90 1 119 ARG -1.30 -0.88 1 121 HIS 1.39 1.58 1 122 SER -3.34 0.19 1 123 ASN 2.05 1.12 1 124 GLU -0.65 -3.43 1 125 ARG -2.64 -1.28 1 126 ILE -3.80 -3.34 1 127 ASP -3.42 -0.87 1 128 ILE -0.83 -2.58 1 129 SER -3.15 -0.50 1 130 PHE -5.42 -2.58 1 131 LYS -2.73 -0.45 1 132 TYR -1.27 -0.74 1 133 ALA 2.04 -1.96 1 134 MET 4.38 0.24 1 135 SER -0.02 -0.99 1 136 PHE -2.35 -2.83 1 137 THR -3.78 0.47 1 138 LYS -4.86 -3.04 1 139 GLU -6.04 -19.61 1 140 ILE -7.21 -2.39 1 141 SER -2.68 -1.68 1 142 ILE -4.12 -2.84 1 143 ARG -2.48 -2.12 1 145 ARG -4.55 -1.99 1 146 LEU 1.42 -3.31 1 stop_ save_