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 bmr16991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.68 _LACS_plot.Line_2_terminator_val_y_2 5.01 _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 122 ILE -0.11 -3.14 0 10 GLU 4.86 3.30 1 11 LEU 3.58 2.29 1 12 ASN 1.15 1.45 1 13 ALA -0.60 0.72 1 14 VAL -2.11 -1.36 1 15 ASP 2.23 1.91 1 16 GLU -1.92 -0.78 1 17 SER -1.09 -0.93 1 18 ALA 0.91 1.12 1 19 ARG -0.32 -0.19 1 20 ILE -3.51 -0.66 1 21 GLU -5.26 -2.14 1 22 ALA -3.80 -1.70 1 23 LYS -6.27 -2.99 1 24 ARG -1.33 -0.81 1 25 ALA 4.17 3.28 1 26 SER 2.34 0.94 1 27 ASP 0.53 1.30 1 28 MET 2.81 1.05 1 30 LYS 1.20 2.12 1 31 SER 1.30 1.28 1 32 VAL 6.68 5.47 1 33 MET 4.30 0.58 1 34 GLU 4.64 3.29 1 35 THR 5.83 4.69 1 36 VAL 6.69 5.18 1 37 ILE 4.96 4.74 1 38 ALA 4.20 2.97 1 39 PHE 1.28 -0.37 1 40 ALA 2.01 1.44 1 41 ASN -0.46 1.52 1 42 GLU 1.95 1.61 1 45 LEU -0.18 -0.24 1 46 ASP 1.76 0.82 1 49 TYR -5.41 -1.28 1 50 LEU -3.58 -0.97 1 51 LEU -4.83 -2.39 1 52 LEU -1.45 0.06 1 54 VAL -4.50 -2.00 1 55 ASP -6.64 -2.44 1 56 TRP -3.94 -2.01 1 57 ALA -4.90 -1.71 1 58 ILE -0.60 -1.07 1 59 ASN -1.94 -2.07 1 60 ASP 3.25 1.98 1 61 LYS -0.31 -0.86 1 63 ASP -0.94 -0.63 1 64 THR 3.45 1.85 1 65 VAL -2.04 -1.21 1 66 TYR -1.79 -0.46 1 67 ARG -3.46 -1.65 1 69 VAL -0.45 0.51 1 71 LEU -4.80 -2.30 1 73 ASP 0.16 -0.08 1 75 ASP 3.23 2.87 1 76 LYS 3.42 2.95 1 77 VAL 5.79 4.26 1 78 GLN 4.98 4.21 1 79 ARG 4.28 3.51 1 80 ASP 4.14 2.87 1 81 LEU 3.90 2.90 1 82 ALA 4.46 3.26 1 83 SER 4.11 3.01 1 84 GLN 4.72 4.18 1 86 ALA 1.33 1.39 1 87 SER -0.86 1.50 1 88 MET 0.67 1.68 1 89 LEU -2.02 -2.71 1 90 ASN 6.45 3.31 1 91 VAL -4.91 -2.97 1 92 ALA 0.49 -0.13 1 93 LEU -3.77 -1.49 1 94 ARG -1.36 -1.28 1 96 GLU -2.40 -0.78 1 97 MET -5.29 -0.85 1 98 GLN -4.01 -0.49 1 99 LEU -1.51 -0.99 1 100 GLU -6.48 -1.09 1 101 GLN -2.04 -1.16 1 102 VAL -2.08 -0.71 1 105 LYS -3.63 -3.01 1 106 THR 3.27 2.15 1 107 LEU -4.08 -1.95 1 108 LEU -4.60 -1.52 1 109 VAL -0.17 -0.13 1 110 VAL -4.13 -2.21 1 111 TYR -3.42 -1.99 1 112 VAL -2.34 -1.68 1 114 GLU 0.46 0.04 1 115 ALA -1.14 -0.75 1 116 ASP -0.56 0.36 1 117 VAL 5.20 3.78 1 118 THR 2.75 2.16 1 119 HIS -2.75 0.27 1 120 LYS 0.85 1.84 1 123 TYR -4.00 -2.35 1 124 LYS 0.66 0.21 1 125 LYS 2.53 2.11 1 126 ALA 0.47 0.52 1 127 THR 0.09 -0.01 1 129 LEU -0.14 -0.12 1 133 ALA -0.17 -0.13 1 134 TYR 0.12 -0.09 1 135 ARG -0.66 -0.50 1 136 ARG 0.22 -0.10 1 137 ILE 0.27 0.04 1 139 SER -0.04 0.00 1 140 SER 0.43 0.32 1 141 ASP 0.14 0.10 1 142 GLN 0.52 0.30 1 143 ARG 0.81 0.45 1 145 VAL 0.74 0.29 1 146 LEU 0.07 -0.09 1 147 GLU -0.57 -0.16 1 148 HIS 0.03 1.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 3.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 6.68 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _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 122 ILE -0.11 -3.03 0 10 GLU 4.86 -1.56 1 11 LEU 3.58 -1.29 1 12 ASN 1.15 0.30 1 13 ALA -0.60 1.32 1 14 VAL -2.11 0.75 1 15 ASP 2.23 -0.32 1 16 GLU -1.92 1.14 1 17 SER -1.09 0.16 1 18 ALA 0.91 0.21 1 19 ARG -0.32 0.13 1 20 ILE -3.51 2.85 1 21 GLU -5.26 3.12 1 22 ALA -3.80 2.10 1 23 LYS -6.27 3.28 1 24 ARG -1.33 0.52 1 25 ALA 4.17 -0.89 1 26 SER 2.34 -1.40 1 27 ASP 0.53 0.77 1 28 MET 2.81 -1.76 1 30 LYS 1.20 0.92 1 31 SER 1.30 -0.02 1 32 VAL 6.68 -1.21 1 33 MET 4.30 -3.72 1 34 GLU 4.64 -1.35 1 35 THR 5.83 -1.14 1 36 VAL 6.69 -1.51 1 37 ILE 4.96 -0.22 1 38 ALA 4.20 -1.23 1 39 PHE 1.28 -1.65 1 40 ALA 2.01 -0.57 1 41 ASN -0.46 1.98 1 42 GLU 1.95 -0.34 1 45 LEU -0.18 -0.06 1 46 ASP 1.76 -0.94 1 49 TYR -5.41 4.13 1 50 LEU -3.58 2.61 1 51 LEU -4.83 2.44 1 52 LEU -1.45 1.51 1 54 VAL -4.50 2.50 1 55 ASP -6.64 4.20 1 56 TRP -3.94 1.93 1 57 ALA -4.90 3.19 1 58 ILE -0.60 -0.47 1 59 ASN -1.94 -0.13 1 60 ASP 3.25 -1.27 1 61 LYS -0.31 -0.55 1 63 ASP -0.94 0.31 1 64 THR 3.45 -1.60 1 65 VAL -2.04 0.83 1 66 TYR -1.79 1.33 1 67 ARG -3.46 1.81 1 69 VAL -0.45 0.96 1 71 LEU -4.80 2.50 1 73 ASP 0.16 -0.24 1 75 ASP 3.23 -0.36 1 76 LYS 3.42 -0.47 1 77 VAL 5.79 -1.53 1 78 GLN 4.98 -0.77 1 79 ARG 4.28 -0.77 1 80 ASP 4.14 -1.27 1 81 LEU 3.90 -1.00 1 82 ALA 4.46 -1.20 1 83 SER 4.11 -1.10 1 84 GLN 4.72 -0.54 1 86 ALA 1.33 0.06 1 87 SER -0.86 2.36 1 88 MET 0.67 1.01 1 89 LEU -2.02 -0.69 1 90 ASN 6.45 -3.14 1 91 VAL -4.91 1.94 1 92 ALA 0.49 -0.62 1 93 LEU -3.77 2.28 1 94 ARG -1.36 0.08 1 96 GLU -2.40 1.62 1 97 MET -5.29 4.44 1 98 GLN -4.01 3.52 1 99 LEU -1.51 0.52 1 100 GLU -6.48 5.39 1 101 GLN -2.04 0.88 1 102 VAL -2.08 1.37 1 105 LYS -3.63 0.62 1 106 THR 3.27 -1.12 1 107 LEU -4.08 2.13 1 108 LEU -4.60 3.08 1 109 VAL -0.17 0.04 1 110 VAL -4.13 1.92 1 111 TYR -3.42 1.43 1 112 VAL -2.34 0.66 1 114 GLU 0.46 -0.42 1 115 ALA -1.14 0.39 1 116 ASP -0.56 0.92 1 117 VAL 5.20 -1.42 1 118 THR 2.75 -0.59 1 119 HIS -2.75 3.02 1 120 LYS 0.85 0.99 1 123 TYR -4.00 1.65 1 124 LYS 0.66 -0.45 1 125 LYS 2.53 -0.42 1 126 ALA 0.47 0.05 1 127 THR 0.09 -0.10 1 129 LEU -0.14 0.02 1 133 ALA -0.17 0.04 1 134 TYR 0.12 -0.21 1 135 ARG -0.66 0.16 1 136 ARG 0.22 -0.32 1 137 ILE 0.27 -0.23 1 139 SER -0.04 0.04 1 140 SER 0.43 -0.11 1 141 ASP 0.14 -0.04 1 142 GLN 0.52 -0.22 1 143 ARG 0.81 -0.36 1 145 VAL 0.74 -0.45 1 146 LEU 0.07 -0.16 1 147 GLU -0.57 0.41 1 148 HIS 0.03 1.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.68 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 ILE -0.11 0.88 0 55 ASP -6.64 0.28 0 50 LEU -3.58 1.22 0 97 MET -5.29 1.32 0 112 VAL -2.34 -0.50 0 10 GLU 4.86 -0.31 1 11 LEU 3.58 -0.58 1 12 ASN 1.15 0.35 1 13 ALA -0.60 0.22 1 14 VAL -2.11 0.33 1 15 ASP 2.23 -0.06 1 16 GLU -1.92 0.04 1 17 SER -1.09 0.10 1 18 ALA 0.91 0.04 1 19 ARG -0.32 0.20 1 20 ILE -3.51 0.95 1 21 GLU -5.26 0.39 1 22 ALA -3.80 0.61 1 23 LYS -6.27 0.89 1 24 ARG -1.33 0.44 1 25 ALA 4.17 -0.38 1 26 SER 2.34 -0.20 1 27 ASP 0.53 0.22 1 28 MET 2.81 -0.14 1 30 LYS 1.20 0.07 1 31 SER 1.30 0.21 1 32 VAL 6.68 -0.60 1 33 MET 4.30 -0.02 1 34 GLU 4.64 -0.47 1 35 THR 5.83 -0.61 1 36 VAL 6.69 -0.70 1 37 ILE 4.96 -0.97 1 38 ALA 4.20 -0.16 1 39 PHE 1.28 -0.04 1 40 ALA 2.01 0.19 1 41 ASN -0.46 0.00 1 42 GLU 1.95 -0.15 1 45 LEU -0.18 -0.13 1 46 ASP 1.76 -0.15 1 49 TYR -5.41 1.08 1 51 LEU -4.83 0.82 1 52 LEU -1.45 0.66 1 54 VAL -4.50 0.80 1 56 TRP -3.94 0.94 1 57 ALA -4.90 0.19 1 58 ILE -0.60 0.70 1 59 ASN -1.94 0.13 1 60 ASP 3.25 -0.31 1 61 LYS -0.31 0.08 1 63 ASP -0.94 0.14 1 64 THR 3.45 0.06 1 65 VAL -2.04 0.38 1 66 TYR -1.79 0.68 1 67 ARG -3.46 0.48 1 69 VAL -0.45 0.30 1 71 LEU -4.80 0.23 1 73 ASP 0.16 -0.15 1 75 ASP 3.23 -0.27 1 76 LYS 3.42 -0.44 1 77 VAL 5.79 -0.41 1 78 GLN 4.98 -0.55 1 79 ARG 4.28 -0.32 1 80 ASP 4.14 -0.22 1 81 LEU 3.90 -0.24 1 82 ALA 4.46 -0.42 1 83 SER 4.11 -0.17 1 84 GLN 4.72 -0.27 1 86 ALA 1.33 0.04 1 87 SER -0.86 0.32 1 88 MET 0.67 0.08 1 89 LEU -2.02 0.83 1 90 ASN 6.45 -0.90 1 91 VAL -4.91 -0.01 1 92 ALA 0.49 0.02 1 93 LEU -3.77 0.11 1 94 ARG -1.36 0.03 1 96 GLU -2.40 0.19 1 98 GLN -4.01 0.25 1 99 LEU -1.51 0.90 1 100 GLU -6.48 0.32 1 101 GLN -2.04 0.90 1 102 VAL -2.08 0.07 1 105 LYS -3.63 0.32 1 106 THR 3.27 0.25 1 107 LEU -4.08 0.58 1 108 LEU -4.60 0.77 1 109 VAL -0.17 0.37 1 110 VAL -4.13 0.88 1 111 TYR -3.42 0.20 1 114 GLU 0.46 -0.20 1 115 ALA -1.14 -0.08 1 116 ASP -0.56 -0.22 1 117 VAL 5.20 -0.44 1 118 THR 2.75 -0.22 1 119 HIS -2.75 0.03 1 120 LYS 0.85 -0.46 1 123 TYR -4.00 0.23 1 124 LYS 0.66 0.09 1 125 LYS 2.53 -0.25 1 126 ALA 0.47 0.02 1 127 THR 0.09 0.01 1 129 LEU -0.14 -0.39 1 133 ALA -0.17 -0.05 1 134 TYR 0.12 -0.05 1 135 ARG -0.66 -0.08 1 136 ARG 0.22 -0.04 1 137 ILE 0.27 -0.01 1 139 SER -0.04 0.03 1 140 SER 0.43 -0.01 1 141 ASP 0.14 -0.04 1 142 GLN 0.52 -0.06 1 143 ARG 0.81 -0.07 1 145 VAL 0.74 -0.05 1 146 LEU 0.07 -0.03 1 147 GLU -0.57 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 6.68 _LACS_plot.Line_2_terminator_val_y_2 2.56 _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 90 ASN 6.45 -0.83 0 41 ASN -0.46 3.98 0 10 GLU 4.86 2.08 1 11 LEU 3.58 1.18 1 12 ASN 1.15 0.64 1 13 ALA -0.60 0.20 1 14 VAL -2.11 -0.42 1 15 ASP 2.23 0.01 1 16 GLU -1.92 -1.45 1 17 SER -1.09 0.38 1 18 ALA 0.91 0.54 1 19 ARG -0.32 -2.30 1 20 ILE -3.51 -1.68 1 21 GLU -5.26 -2.07 1 22 ALA -3.80 -1.39 1 23 LYS -6.27 -0.57 1 24 ARG -1.33 2.12 1 25 ALA 4.17 2.14 1 26 SER 2.34 0.19 1 27 ASP 0.53 1.34 1 28 MET 2.81 0.06 1 30 LYS 1.20 0.56 1 31 SER 1.30 2.10 1 32 VAL 6.68 0.82 1 33 MET 4.30 2.00 1 34 GLU 4.64 2.73 1 35 THR 5.83 -0.13 1 36 VAL 6.69 0.53 1 37 ILE 4.96 0.53 1 38 ALA 4.20 3.61 1 39 PHE 1.28 1.74 1 40 ALA 2.01 1.80 1 42 GLU 1.95 0.79 1 45 LEU -0.18 -0.84 1 46 ASP 1.76 1.03 1 49 TYR -5.41 -0.30 1 50 LEU -3.58 -2.57 1 51 LEU -4.83 -3.29 1 52 LEU -1.45 -1.36 1 54 VAL -4.50 -4.07 1 55 ASP -6.64 -2.10 1 56 TRP -3.94 -1.78 1 57 ALA -4.90 -2.41 1 58 ILE -0.60 0.74 1 59 ASN -1.94 1.89 1 60 ASP 3.25 0.63 1 61 LYS -0.31 0.28 1 63 ASP -0.94 -1.18 1 64 THR 3.45 -1.00 1 65 VAL -2.04 -0.82 1 66 TYR -1.79 0.46 1 67 ARG -3.46 -1.84 1 69 VAL -0.45 0.40 1 71 LEU -4.80 -1.12 1 73 ASP 0.16 -1.18 1 75 ASP 3.23 1.91 1 76 LYS 3.42 1.41 1 77 VAL 5.79 1.39 1 78 GLN 4.98 1.24 1 79 ARG 4.28 3.41 1 80 ASP 4.14 2.22 1 81 LEU 3.90 1.82 1 82 ALA 4.46 3.18 1 83 SER 4.11 3.66 1 84 GLN 4.72 3.44 1 86 ALA 1.33 0.89 1 87 SER -0.86 0.90 1 88 MET 0.67 0.11 1 89 LEU -2.02 -1.81 1 91 VAL -4.91 -2.24 1 92 ALA 0.49 -1.28 1 93 LEU -3.77 -1.74 1 94 ARG -1.36 -2.15 1 96 GLU -2.40 -0.91 1 97 MET -5.29 -0.99 1 98 GLN -4.01 -1.92 1 99 LEU -1.51 -0.32 1 100 GLU -6.48 -2.40 1 101 GLN -2.04 0.31 1 102 VAL -2.08 0.25 1 105 LYS -3.63 -1.36 1 106 THR 3.27 -2.11 1 107 LEU -4.08 -3.19 1 108 LEU -4.60 -3.68 1 109 VAL -0.17 -1.22 1 110 VAL -4.13 -1.77 1 111 TYR -3.42 -2.55 1 112 VAL -2.34 -3.62 1 114 GLU 0.46 1.13 1 115 ALA -1.14 -0.90 1 116 ASP -0.56 1.98 1 117 VAL 5.20 1.17 1 118 THR 2.75 0.84 1 119 HIS -2.75 0.22 1 120 LYS 0.85 0.06 1 122 ILE -0.11 0.26 1 123 TYR -4.00 -2.99 1 124 LYS 0.66 0.02 1 125 LYS 2.53 0.61 1 126 ALA 0.47 0.23 1 127 THR 0.09 0.70 1 129 LEU -0.14 -0.22 1 133 ALA -0.17 -0.54 1 134 TYR 0.12 -0.51 1 135 ARG -0.66 -1.00 1 136 ARG 0.22 -0.20 1 137 ILE 0.27 0.22 1 139 SER -0.04 0.29 1 140 SER 0.43 -0.34 1 141 ASP 0.14 -0.01 1 142 GLN 0.52 0.17 1 143 ARG 0.81 -0.04 1 145 VAL 0.74 -0.32 1 146 LEU 0.07 -0.52 1 147 GLU -0.57 -0.53 1 148 HIS 0.03 0.76 1 stop_ save_