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 bmr30584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _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 -1.16 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 3.27 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 GLU 0.12 3.62 0 10 THR 0.22 0.76 1 11 THR -1.40 -0.36 1 12 VAL -5.14 -2.72 1 13 ALA -3.95 -2.08 1 14 PHE -2.55 -1.77 1 15 ASP -1.85 -0.75 1 16 VAL 2.00 0.55 1 17 ARG -3.04 -1.12 1 21 VAL -1.07 -0.85 1 22 VAL 1.90 0.20 1 23 HIS -5.64 -1.34 1 24 SER -4.46 -1.39 1 25 PHE -3.52 0.57 1 26 SER -5.29 -2.13 1 27 HIS -3.88 0.92 1 28 ASN -3.51 -1.08 1 29 VAL -2.61 -0.54 1 33 ASP 2.50 0.40 1 34 LYS 2.39 2.66 1 35 TYR -3.54 -3.03 1 36 THR -3.00 -0.26 1 38 MET -5.48 -1.02 1 39 PHE -5.86 -2.29 1 40 THR -1.43 -0.46 1 41 TYR -4.03 -1.20 1 42 ALA -3.44 0.25 1 43 SER -5.32 -0.85 1 44 GLN -4.20 -1.87 1 47 THR -2.75 -1.53 1 48 ASN 0.86 0.51 1 49 GLU -7.67 -2.11 1 50 GLN 0.66 0.91 1 51 TRP -3.50 -1.59 1 52 GLN -4.95 -1.87 1 53 MET -5.90 -1.30 1 54 SER -4.31 -2.14 1 55 LEU -3.55 -0.82 1 57 THR -3.80 -1.81 1 58 SER -0.77 -0.26 1 59 GLU 3.81 3.02 1 60 ASP 0.05 -0.99 1 61 HIS 4.27 2.85 1 62 GLN 0.60 0.86 1 63 HIS -2.91 -0.29 1 64 PHE -5.46 -2.64 1 65 THR -3.02 -2.01 1 67 THR -0.37 -0.20 1 68 ILE -4.45 -0.94 1 69 TRP -3.71 -0.85 1 70 ARG -1.95 -2.63 1 72 GLN 3.37 1.85 1 74 LYS -3.77 -2.05 1 75 SER -1.84 -1.21 1 76 TYR 0.41 -0.09 1 77 LEU -1.67 -0.81 1 78 TYR -1.66 -1.48 1 79 PHE 1.17 2.02 1 80 THR 1.90 0.24 1 81 GLN -5.02 -1.26 1 82 PHE -1.76 0.85 1 83 LYS -2.36 0.19 1 84 ALA -6.54 -2.40 1 85 GLU -8.10 -2.33 1 86 VAL -5.63 -3.94 1 87 ARG -2.84 -0.91 1 89 ALA -7.40 -1.88 1 90 GLU -5.81 -2.59 1 91 ILE 5.08 4.10 1 92 GLU -1.92 0.68 1 93 TYR -3.23 -0.75 1 94 ALA -6.90 -1.57 1 95 MET -3.62 -2.30 1 96 ALA -6.25 -3.00 1 97 TYR -2.78 -0.77 1 98 SER 2.85 1.39 1 99 LYS -2.81 0.12 1 100 ALA -5.42 -2.61 1 101 ALA 0.09 0.24 1 102 PHE -0.61 0.28 1 103 GLU 4.13 1.77 1 104 ARG 1.81 0.56 1 105 GLU -1.42 -0.68 1 106 SER -1.58 -0.42 1 107 ASP -1.09 0.67 1 108 VAL -0.60 0.24 1 110 LEU 1.10 0.26 1 111 LYS 1.40 0.42 1 112 THR 4.82 3.87 1 113 GLU 2.38 1.32 1 115 PHE -4.28 -2.29 1 116 GLU -6.45 -2.53 1 117 VAL -0.71 -0.22 1 118 THR -2.98 -2.08 1 119 LYS 3.30 3.47 1 120 THR -2.05 -0.87 1 121 ALA -6.73 -1.52 1 122 VAL -3.49 -2.01 1 123 ALA -6.83 -2.15 1 124 HIS -1.77 0.84 1 125 ARG -1.10 -1.43 1 128 ALA -2.74 0.12 1 129 PHE -0.39 -0.43 1 130 LYS 2.87 0.58 1 131 ALA 4.32 3.46 1 132 GLU -3.49 -1.68 1 133 LEU -4.19 -0.06 1 134 SER -2.77 0.28 1 135 LYS -2.33 -0.16 1 136 LEU -5.26 -0.45 1 137 VAL -3.19 -0.27 1 138 ILE -3.74 -0.15 1 139 VAL -0.18 0.12 1 140 ALA -7.03 -1.99 1 141 LYS -4.86 -2.23 1 142 ALA 0.35 0.64 1 143 SER -0.38 -0.06 1 144 ARG -0.23 -0.02 1 145 THR 0.35 0.22 1 146 GLU -0.75 -0.31 1 147 LEU 0.76 1.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 5.37 _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 0.84 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 GLU 0.12 3.50 0 10 THR 0.22 0.54 1 11 THR -1.40 1.04 1 12 VAL -5.14 2.42 1 13 ALA -3.95 1.87 1 14 PHE -2.55 0.78 1 15 ASP -1.85 1.10 1 16 VAL 2.00 -1.45 1 17 ARG -3.04 1.92 1 21 VAL -1.07 0.22 1 22 VAL 1.90 -1.70 1 23 HIS -5.64 4.30 1 24 SER -4.46 3.07 1 25 PHE -3.52 4.09 1 26 SER -5.29 3.16 1 27 HIS -3.88 4.80 1 28 ASN -3.51 2.43 1 29 VAL -2.61 2.07 1 33 ASP 2.50 -2.10 1 34 LYS 2.39 0.27 1 35 TYR -3.54 0.51 1 36 THR -3.00 2.74 1 38 MET -5.48 4.46 1 39 PHE -5.86 3.57 1 40 THR -1.43 0.97 1 41 TYR -4.03 2.83 1 42 ALA -3.44 3.69 1 43 SER -5.32 4.47 1 44 GLN -4.20 2.33 1 47 THR -2.75 1.22 1 48 ASN 0.86 -0.35 1 49 GLU -7.67 5.56 1 50 GLN 0.66 0.25 1 51 TRP -3.50 1.91 1 52 GLN -4.95 3.08 1 53 MET -5.90 4.60 1 54 SER -4.31 2.17 1 55 LEU -3.55 2.73 1 57 THR -3.80 1.99 1 58 SER -0.77 0.51 1 59 GLU 3.81 -0.79 1 60 ASP 0.05 -1.04 1 61 HIS 4.27 -1.42 1 62 GLN 0.60 0.26 1 63 HIS -2.91 2.62 1 64 PHE -5.46 2.82 1 65 THR -3.02 1.01 1 67 THR -0.37 0.17 1 68 ILE -4.45 3.51 1 69 TRP -3.71 2.86 1 70 ARG -1.95 -0.68 1 72 GLN 3.37 -1.52 1 74 LYS -3.77 1.72 1 75 SER -1.84 0.63 1 76 TYR 0.41 -0.50 1 77 LEU -1.67 0.86 1 78 TYR -1.66 0.18 1 79 PHE 1.17 0.85 1 80 THR 1.90 -1.66 1 81 GLN -5.02 3.76 1 82 PHE -1.76 2.61 1 83 LYS -2.36 2.55 1 84 ALA -6.54 4.14 1 85 GLU -8.10 5.77 1 86 VAL -5.63 1.69 1 87 ARG -2.84 1.93 1 89 ALA -7.40 5.52 1 90 GLU -5.81 3.22 1 91 ILE 5.08 -0.98 1 92 GLU -1.92 2.60 1 93 TYR -3.23 2.48 1 94 ALA -6.90 5.33 1 95 MET -3.62 1.32 1 96 ALA -6.25 3.25 1 97 TYR -2.78 2.01 1 98 SER 2.85 -1.46 1 99 LYS -2.81 2.93 1 100 ALA -5.42 2.81 1 101 ALA 0.09 0.15 1 102 PHE -0.61 0.89 1 103 GLU 4.13 -2.36 1 104 ARG 1.81 -1.25 1 105 GLU -1.42 0.74 1 106 SER -1.58 1.16 1 107 ASP -1.09 1.76 1 108 VAL -0.60 0.84 1 110 LEU 1.10 -0.84 1 111 LYS 1.40 -0.98 1 112 THR 4.82 -0.95 1 113 GLU 2.38 -1.06 1 115 PHE -4.28 1.99 1 116 GLU -6.45 3.92 1 117 VAL -0.71 0.49 1 118 THR -2.98 0.90 1 119 LYS 3.30 0.17 1 120 THR -2.05 1.18 1 121 ALA -6.73 5.21 1 122 VAL -3.49 1.48 1 123 ALA -6.83 4.68 1 124 HIS -1.77 2.61 1 125 ARG -1.10 -0.33 1 128 ALA -2.74 2.86 1 129 PHE -0.39 -0.04 1 130 LYS 2.87 -2.29 1 131 ALA 4.32 -0.86 1 132 GLU -3.49 1.81 1 133 LEU -4.19 4.13 1 134 SER -2.77 3.05 1 135 LYS -2.33 2.17 1 136 LEU -5.26 4.81 1 137 VAL -3.19 2.92 1 138 ILE -3.74 3.59 1 139 VAL -0.18 0.30 1 140 ALA -7.03 5.04 1 141 LYS -4.86 2.63 1 142 ALA 0.35 0.29 1 143 SER -0.38 0.32 1 144 ARG -0.23 0.21 1 145 THR 0.35 -0.13 1 146 GLU -0.75 0.44 1 147 LEU 0.76 0.89 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 GLN -5.02 -1.44 0 10 THR 0.22 0.20 1 11 THR -1.40 1.14 1 12 VAL -5.14 0.51 1 13 ALA -3.95 0.84 1 14 PHE -2.55 -0.10 1 15 ASP -1.85 0.35 1 16 VAL 2.00 -0.44 1 17 ARG -3.04 0.21 1 21 VAL -1.07 -0.23 1 22 VAL 1.90 -0.04 1 23 HIS -5.64 0.15 1 24 SER -4.46 1.37 1 25 PHE -3.52 0.12 1 26 SER -5.29 0.77 1 27 HIS -3.88 -0.33 1 28 ASN -3.51 0.96 1 29 VAL -2.61 0.35 1 33 ASP 2.50 -0.76 1 34 LYS 2.39 -0.73 1 35 TYR -3.54 0.57 1 36 THR -3.00 0.57 1 38 MET -5.48 0.78 1 39 PHE -5.86 1.00 1 40 THR -1.43 0.92 1 41 TYR -4.03 0.38 1 42 ALA -3.44 0.29 1 43 SER -5.32 1.05 1 44 GLN -4.20 0.69 1 47 THR -2.75 0.17 1 48 ASN 0.86 0.05 1 49 GLU -7.67 0.25 1 50 GLN 0.66 0.34 1 51 TRP -3.50 -0.02 1 52 GLN -4.95 0.71 1 53 MET -5.90 1.34 1 54 SER -4.31 1.46 1 55 LEU -3.55 1.26 1 57 THR -3.80 1.04 1 58 SER -0.77 0.06 1 59 GLU 3.81 -0.38 1 60 ASP 0.05 -0.27 1 61 HIS 4.27 -0.45 1 62 GLN 0.60 -0.03 1 63 HIS -2.91 0.62 1 64 PHE -5.46 0.74 1 65 THR -3.02 0.79 1 67 THR -0.37 0.95 1 68 ILE -4.45 1.29 1 69 TRP -3.71 0.24 1 70 ARG -1.95 -0.92 1 72 GLN 3.37 -0.86 1 74 LYS -3.77 0.36 1 75 SER -1.84 0.20 1 76 TYR 0.41 0.23 1 77 LEU -1.67 0.06 1 78 TYR -1.66 0.30 1 79 PHE 1.17 0.12 1 80 THR 1.90 0.06 1 82 PHE -1.76 0.67 1 83 LYS -2.36 0.86 1 84 ALA -6.54 1.82 1 85 GLU -8.10 1.22 1 86 VAL -5.63 1.47 1 87 ARG -2.84 0.49 1 89 ALA -7.40 0.71 1 90 GLU -5.81 0.57 1 91 ILE 5.08 -0.64 1 92 GLU -1.92 0.14 1 93 TYR -3.23 0.17 1 94 ALA -6.90 0.83 1 95 MET -3.62 0.11 1 96 ALA -6.25 0.57 1 97 TYR -2.78 0.54 1 98 SER 2.85 -0.32 1 99 LYS -2.81 0.16 1 100 ALA -5.42 0.29 1 101 ALA 0.09 -0.60 1 102 PHE -0.61 -0.22 1 103 GLU 4.13 -0.82 1 104 ARG 1.81 -0.06 1 105 GLU -1.42 0.03 1 106 SER -1.58 -0.04 1 107 ASP -1.09 -0.25 1 108 VAL -0.60 0.22 1 110 LEU 1.10 0.03 1 111 LYS 1.40 0.15 1 112 THR 4.82 -0.70 1 113 GLU 2.38 -0.25 1 114 GLU 0.12 -0.32 1 115 PHE -4.28 0.71 1 116 GLU -6.45 0.30 1 117 VAL -0.71 0.73 1 118 THR -2.98 0.48 1 119 LYS 3.30 -0.02 1 120 THR -2.05 0.37 1 121 ALA -6.73 1.28 1 122 VAL -3.49 1.10 1 123 ALA -6.83 0.57 1 124 HIS -1.77 -0.77 1 125 ARG -1.10 0.01 1 128 ALA -2.74 0.22 1 129 PHE -0.39 0.59 1 130 LYS 2.87 -0.19 1 131 ALA 4.32 -0.98 1 132 GLU -3.49 0.64 1 133 LEU -4.19 0.28 1 134 SER -2.77 0.26 1 135 LYS -2.33 1.00 1 136 LEU -5.26 0.80 1 137 VAL -3.19 0.53 1 138 ILE -3.74 0.35 1 139 VAL -0.18 0.37 1 140 ALA -7.03 0.90 1 141 LYS -4.86 0.58 1 142 ALA 0.35 0.15 1 143 SER -0.38 -0.02 1 144 ARG -0.23 0.12 1 145 THR 0.35 -0.05 1 146 GLU -0.75 -0.01 1 147 LEU 0.76 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _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 -1.28 _LACS_plot.Line_2_terminator_val_x_2 5.08 _LACS_plot.Line_2_terminator_val_y_2 0.68 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 ALA 4.32 -2.63 0 10 THR 0.22 -0.98 1 11 THR -1.40 -1.14 1 12 VAL -5.14 -3.39 1 13 ALA -3.95 -1.22 1 14 PHE -2.55 -4.14 1 15 ASP -1.85 -1.01 1 16 VAL 2.00 -1.32 1 21 VAL -1.07 -1.62 1 22 VAL 1.90 -0.62 1 23 HIS -5.64 -1.46 1 24 SER -4.46 -0.89 1 25 PHE -3.52 -2.83 1 26 SER -5.29 -3.30 1 27 HIS -3.88 -2.19 1 28 ASN -3.51 -0.45 1 29 VAL -2.61 -3.06 1 33 ASP 2.50 -0.82 1 34 LYS 2.39 -0.88 1 35 TYR -3.54 -0.21 1 36 THR -3.00 -1.94 1 38 MET -5.48 -2.99 1 39 PHE -5.86 -2.72 1 40 THR -1.43 -1.59 1 41 TYR -4.03 -4.72 1 42 ALA -3.44 -1.21 1 43 SER -5.32 -1.63 1 44 GLN -4.20 -1.33 1 47 THR -2.75 -2.45 1 48 ASN 0.86 0.23 1 49 GLU -7.67 -1.97 1 50 GLN 0.66 -0.69 1 51 TRP -3.50 -2.21 1 52 GLN -4.95 -2.17 1 53 MET -5.90 -1.41 1 54 SER -4.31 -0.32 1 55 LEU -3.55 -2.38 1 57 THR -3.80 0.13 1 58 SER -0.77 2.28 1 59 GLU 3.81 0.44 1 60 ASP 0.05 0.42 1 61 HIS 4.27 0.68 1 62 GLN 0.60 -1.45 1 63 HIS -2.91 -0.62 1 64 PHE -5.46 -3.34 1 65 THR -3.02 -1.89 1 67 THR -0.37 -1.58 1 68 ILE -4.45 -1.23 1 69 TRP -3.71 -4.93 1 72 GLN 3.37 -0.09 1 74 LYS -3.77 -1.18 1 75 SER -1.84 1.04 1 76 TYR 0.41 -0.16 1 77 LEU -1.67 -2.23 1 78 TYR -1.66 0.07 1 79 PHE 1.17 0.21 1 80 THR 1.90 0.44 1 81 GLN -5.02 -1.55 1 82 PHE -1.76 -3.13 1 83 LYS -2.36 -1.48 1 84 ALA -6.54 -2.51 1 85 GLU -8.10 -1.82 1 86 VAL -5.63 -0.91 1 87 ARG -2.84 -0.11 1 89 ALA -7.40 -3.49 1 90 GLU -5.81 -0.40 1 91 ILE 5.08 -0.09 1 92 GLU -1.92 -0.70 1 93 TYR -3.23 -3.79 1 94 ALA -6.90 -3.44 1 95 MET -3.62 -4.44 1 96 ALA -6.25 -2.46 1 97 TYR -2.78 0.18 1 98 SER 2.85 0.29 1 99 LYS -2.81 -3.24 1 100 ALA -5.42 -2.02 1 101 ALA 0.09 -0.67 1 102 PHE -0.61 -1.62 1 103 GLU 4.13 -0.11 1 104 ARG 1.81 0.21 1 105 GLU -1.42 0.22 1 106 SER -1.58 -0.72 1 107 ASP -1.09 0.85 1 110 LEU 1.10 -0.11 1 111 LYS 1.40 2.68 1 112 THR 4.82 0.99 1 113 GLU 2.38 0.05 1 114 GLU 0.12 -0.94 1 115 PHE -4.28 -4.88 1 116 GLU -6.45 -2.07 1 117 VAL -0.71 0.14 1 118 THR -2.98 -0.27 1 119 LYS 3.30 1.21 1 120 THR -2.05 -1.55 1 121 ALA -6.73 -2.93 1 122 VAL -3.49 -2.55 1 123 ALA -6.83 -2.38 1 124 HIS -1.77 -1.04 1 128 ALA -2.74 -0.16 1 129 PHE -0.39 1.12 1 132 GLU -3.49 -1.74 1 133 LEU -4.19 -3.58 1 134 SER -2.77 -2.48 1 135 LYS -2.33 -3.77 1 136 LEU -5.26 -3.26 1 137 VAL -3.19 -2.36 1 138 ILE -3.74 -2.11 1 139 VAL -0.18 -1.63 1 140 ALA -7.03 -3.55 1 141 LYS -4.86 -1.29 1 142 ALA 0.35 -0.40 1 143 SER -0.38 -0.34 1 144 ARG -0.23 -0.05 1 145 THR 0.35 -0.37 1 146 GLU -0.75 -1.41 1 stop_ save_