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 bmr19715_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 -2.83 _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 -1.34 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.56 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ARG 4.79 1.32 0 81 HIS 4.67 5.92 0 66 VAL 1.37 -1.22 0 11 SER -0.18 0.12 1 12 ASN -1.03 -0.31 1 13 PHE -0.55 -1.07 1 14 THR 4.12 3.29 1 16 LEU -0.02 0.90 1 17 LYS 0.86 0.70 1 18 VAL -6.44 -3.22 1 19 LEU -5.80 -2.20 1 20 VAL -3.01 -0.93 1 21 MET -2.90 -1.65 1 22 ASP -1.39 0.10 1 23 GLU 1.41 1.82 1 24 ASN -1.10 -0.44 1 26 VAL 5.15 3.92 1 27 SER 4.38 2.48 1 28 ARG 3.59 4.32 1 29 MET 2.82 1.87 1 30 VAL 5.78 4.34 1 32 LYS 5.44 4.61 1 34 LEU 2.95 2.87 1 35 LEU 2.55 2.82 1 36 VAL 5.38 4.13 1 37 HIS 4.78 4.18 1 38 LEU -0.62 0.23 1 41 GLU -1.72 -1.07 1 42 VAL -1.42 -0.16 1 43 THR -0.72 0.03 1 44 THR -3.41 -2.59 1 45 VAL -6.02 -2.79 1 46 SER -4.95 -1.54 1 47 SER -4.95 -1.54 1 48 ASN 4.04 3.23 1 49 GLU 4.58 3.43 1 50 GLU 1.89 2.49 1 52 LEU 2.71 1.84 1 53 ARG 2.80 2.98 1 54 VAL 1.20 1.75 1 55 VAL 2.69 0.42 1 56 SER -4.50 -1.77 1 57 HIS 2.31 2.58 1 58 GLU 0.92 0.79 1 59 HIS 1.69 3.48 1 60 LYS -0.11 -0.23 1 61 VAL -5.55 -2.20 1 62 VAL -2.81 -2.01 1 63 PHE -2.58 -1.47 1 64 MET -4.45 -1.71 1 65 ASP -1.04 0.29 1 71 VAL 0.58 0.53 1 72 GLU 1.33 1.36 1 73 ASN 0.41 0.91 1 74 TYR 2.36 1.14 1 75 GLN 4.75 3.42 1 76 ILE 2.09 0.40 1 77 ALA 3.77 3.45 1 78 LEU 3.84 2.80 1 79 ARG 3.10 2.82 1 80 ILE 7.02 5.61 1 82 GLU 3.53 2.98 1 83 LYS 4.05 3.46 1 84 PHE 5.64 4.48 1 85 THR 5.61 4.76 1 86 LYS 3.60 2.55 1 87 GLN 0.12 0.00 1 89 HIS -4.55 -0.51 1 90 GLN 0.93 0.39 1 91 ARG 0.95 -0.41 1 93 LEU -1.42 -0.35 1 94 LEU -3.50 -1.35 1 95 VAL -3.44 -2.01 1 96 ALA -4.19 -2.04 1 97 LEU -0.56 -0.85 1 98 SER -4.14 -2.00 1 100 ASN -1.32 0.09 1 101 THR 0.06 -0.89 1 102 ASP -0.12 0.18 1 103 LYS 2.63 2.39 1 104 SER 2.05 1.71 1 105 THR 5.35 4.27 1 106 LYS 6.41 4.41 1 107 GLU 3.40 2.89 1 108 LYS 4.09 3.14 1 110 MET 3.70 2.81 1 111 SER 5.47 4.69 1 112 PHE 0.84 0.30 1 114 LEU -0.84 -0.79 1 115 ASP -1.47 1.41 1 117 VAL -4.22 -1.73 1 118 LEU -5.01 -1.98 1 119 LEU -1.51 -1.39 1 120 LYS 0.61 0.73 1 122 VAL -0.15 -0.11 1 123 SER -6.10 -2.71 1 124 LEU 3.97 3.64 1 125 ASP 3.79 3.13 1 126 ASN 3.35 2.85 1 127 ILE 5.40 4.31 1 128 ARG 5.03 4.47 1 129 ASP 4.38 3.57 1 130 VAL 4.87 3.44 1 131 LEU 3.72 2.85 1 132 SER 4.61 4.14 1 133 ASP 2.30 2.61 1 134 LEU 0.45 1.46 1 135 LEU 0.03 0.23 1 136 GLU 0.94 1.05 1 138 ARG 0.48 0.37 1 139 VAL 0.73 0.46 1 140 LEU -0.18 -0.03 1 141 TYR -0.42 -0.22 1 142 GLU -0.33 0.16 1 144 MET 0.89 1.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19715_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 3.61 _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 0.66 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.45 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ARG 4.79 -3.47 0 81 HIS 4.67 1.25 0 66 VAL 1.37 -2.59 0 11 SER -0.18 0.30 1 12 ASN -1.03 0.72 1 13 PHE -0.55 -0.52 1 14 THR 4.12 -0.83 1 16 LEU -0.02 0.92 1 17 LYS 0.86 -0.16 1 18 VAL -6.44 3.22 1 19 LEU -5.80 3.60 1 20 VAL -3.01 2.08 1 21 MET -2.90 1.25 1 22 ASP -1.39 1.49 1 23 GLU 1.41 0.41 1 24 ASN -1.10 0.66 1 26 VAL 5.15 -1.23 1 27 SER 4.38 -1.90 1 28 ARG 3.59 0.73 1 29 MET 2.82 -0.95 1 30 VAL 5.78 -1.44 1 32 LYS 5.44 -0.83 1 34 LEU 2.95 -0.08 1 35 LEU 2.55 0.27 1 36 VAL 5.38 -1.25 1 37 HIS 4.78 -0.60 1 38 LEU -0.62 0.85 1 41 GLU -1.72 0.65 1 42 VAL -1.42 1.26 1 43 THR -0.72 0.75 1 44 THR -3.41 0.82 1 45 VAL -6.02 3.23 1 46 SER -4.95 3.41 1 47 SER -4.95 3.41 1 48 ASN 4.04 -0.81 1 49 GLU 4.58 -1.15 1 50 GLU 1.89 0.60 1 52 LEU 2.71 -0.87 1 53 ARG 2.80 0.18 1 54 VAL 1.20 0.55 1 55 VAL 2.69 -2.27 1 56 SER -4.50 2.73 1 57 HIS 2.31 0.27 1 58 GLU 0.92 -0.13 1 59 HIS 1.69 1.79 1 60 LYS -0.11 -0.12 1 61 VAL -5.55 3.35 1 62 VAL -2.81 0.80 1 63 PHE -2.58 1.11 1 64 MET -4.45 2.74 1 65 ASP -1.04 1.33 1 71 VAL 0.58 -0.05 1 72 GLU 1.33 0.03 1 73 ASN 0.41 0.50 1 74 TYR 2.36 -1.22 1 75 GLN 4.75 -1.33 1 76 ILE 2.09 -1.69 1 77 ALA 3.77 -0.32 1 78 LEU 3.84 -1.04 1 79 ARG 3.10 -0.28 1 80 ILE 7.02 -1.41 1 82 GLU 3.53 -0.55 1 83 LYS 4.05 -0.59 1 84 PHE 5.64 -1.16 1 85 THR 5.61 -0.85 1 86 LYS 3.60 -1.05 1 87 GLN 0.12 -0.12 1 89 HIS -4.55 4.04 1 90 GLN 0.93 -0.54 1 91 ARG 0.95 -1.36 1 93 LEU -1.42 1.07 1 94 LEU -3.50 2.15 1 95 VAL -3.44 1.43 1 96 ALA -4.19 2.15 1 97 LEU -0.56 -0.29 1 98 SER -4.14 2.14 1 100 ASN -1.32 1.41 1 101 THR 0.06 -0.95 1 102 ASP -0.12 0.30 1 103 LYS 2.63 -0.24 1 104 SER 2.05 -0.34 1 105 THR 5.35 -1.08 1 106 LYS 6.41 -2.00 1 107 GLU 3.40 -0.51 1 108 LYS 4.09 -0.95 1 110 MET 3.70 -0.89 1 111 SER 5.47 -0.78 1 112 PHE 0.84 -0.54 1 114 LEU -0.84 0.05 1 115 ASP -1.47 2.88 1 117 VAL -4.22 2.49 1 118 LEU -5.01 3.03 1 119 LEU -1.51 0.12 1 120 LYS 0.61 0.12 1 122 VAL -0.15 0.04 1 123 SER -6.10 3.39 1 124 LEU 3.97 -0.33 1 125 ASP 3.79 -0.66 1 126 ASN 3.35 -0.50 1 127 ILE 5.40 -1.09 1 128 ARG 5.03 -0.56 1 129 ASP 4.38 -0.81 1 130 VAL 4.87 -1.43 1 131 LEU 3.72 -0.87 1 132 SER 4.61 -0.47 1 133 ASP 2.30 0.31 1 134 LEU 0.45 1.01 1 135 LEU 0.03 0.20 1 136 GLU 0.94 0.11 1 138 ARG 0.48 -0.11 1 139 VAL 0.73 -0.27 1 140 LEU -0.18 0.15 1 141 TYR -0.42 0.20 1 142 GLU -0.33 0.49 1 144 MET 0.89 0.92 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19715_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 17 LYS 0.86 0.89 0 11 SER -0.18 -0.15 1 12 ASN -1.03 -0.14 1 13 PHE -0.55 0.15 1 14 THR 4.12 -0.33 1 16 LEU -0.02 -0.14 1 18 VAL -6.44 1.18 1 19 LEU -5.80 1.02 1 20 VAL -3.01 0.64 1 21 MET -2.90 0.44 1 22 ASP -1.39 0.18 1 23 GLU 1.41 -0.04 1 24 ASN -1.10 -0.01 1 26 VAL 5.15 -0.35 1 27 SER 4.38 -0.40 1 28 ARG 3.59 -0.61 1 29 MET 2.82 -0.15 1 30 VAL 5.78 -0.42 1 32 LYS 5.44 -0.60 1 34 LEU 2.95 -0.25 1 35 LEU 2.55 -0.46 1 36 VAL 5.38 -0.12 1 37 HIS 4.78 -0.29 1 38 LEU -0.62 0.08 1 41 GLU -1.72 0.25 1 42 VAL -1.42 0.53 1 43 THR -0.72 0.35 1 44 THR -3.41 1.05 1 45 VAL -6.02 0.64 1 46 SER -4.95 0.25 1 47 SER -4.95 0.34 1 48 ASN 4.04 -0.37 1 49 GLU 4.58 -0.40 1 50 GLU 1.89 -0.38 1 52 LEU 2.71 -0.36 1 53 ARG 2.80 -0.21 1 54 VAL 1.20 -0.20 1 55 VAL 2.69 0.22 1 56 SER -4.50 0.81 1 57 HIS 2.31 -0.35 1 58 GLU 0.92 -0.51 1 59 HIS 1.69 -0.61 1 60 LYS -0.11 0.03 1 61 VAL -5.55 0.63 1 62 VAL -2.81 0.83 1 63 PHE -2.58 0.73 1 64 MET -4.45 0.74 1 65 ASP -1.04 0.47 1 66 VAL 1.37 -0.22 1 71 VAL 0.58 0.09 1 72 GLU 1.33 -0.17 1 73 ASN 0.41 -0.14 1 74 TYR 2.36 -0.55 1 75 GLN 4.75 -0.30 1 76 ILE 2.09 -0.11 1 77 ALA 3.77 -0.30 1 78 LEU 3.84 -0.22 1 79 ARG 3.10 -0.09 1 80 ILE 7.02 -0.45 1 81 HIS 4.67 -0.49 1 82 GLU 3.53 -0.32 1 83 LYS 4.05 -0.36 1 84 PHE 5.64 -0.41 1 85 THR 5.61 -0.12 1 86 LYS 3.60 -0.14 1 87 GLN 0.12 -0.02 1 88 ARG 4.79 -0.33 1 89 HIS -4.55 0.16 1 90 GLN 0.93 -0.12 1 93 LEU -1.42 -0.05 1 94 LEU -3.50 0.61 1 95 VAL -3.44 0.42 1 96 ALA -4.19 0.90 1 97 LEU -0.56 0.81 1 98 SER -4.14 0.42 1 100 ASN -1.32 0.07 1 101 THR 0.06 0.05 1 102 ASP -0.12 -0.06 1 103 LYS 2.63 -0.15 1 104 SER 2.05 0.00 1 105 THR 5.35 -0.08 1 106 LYS 6.41 -0.47 1 107 GLU 3.40 -0.25 1 108 LYS 4.09 -0.28 1 110 MET 3.70 -0.11 1 111 SER 5.47 -0.34 1 112 PHE 0.84 -0.05 1 114 LEU -0.84 0.15 1 115 ASP -1.47 0.14 1 117 VAL -4.22 0.93 1 118 LEU -5.01 0.28 1 119 LEU -1.51 0.42 1 122 VAL -0.15 0.22 1 123 SER -6.10 0.30 1 124 LEU 3.97 -0.44 1 125 ASP 3.79 -0.33 1 126 ASN 3.35 -0.14 1 127 ILE 5.40 -0.45 1 128 ARG 5.03 -0.51 1 129 ASP 4.38 -0.24 1 130 VAL 4.87 -0.03 1 131 LEU 3.72 -0.49 1 132 SER 4.61 -0.29 1 133 ASP 2.30 -0.12 1 134 LEU 0.45 -0.01 1 135 LEU 0.03 0.02 1 136 GLU 0.94 -0.04 1 138 ARG 0.48 0.00 1 139 VAL 0.73 -0.08 1 140 LEU -0.18 -0.04 1 141 TYR -0.42 0.07 1 142 GLU -0.33 -0.07 1 144 MET 0.89 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19715_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.44 _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 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 SER -6.10 -0.27 0 55 VAL 2.69 -2.65 0 11 SER -0.18 -1.07 1 12 ASN -1.03 -0.67 1 13 PHE -0.55 -1.15 1 14 THR 4.12 1.76 1 16 LEU -0.02 -0.95 1 17 LYS 0.86 -0.23 1 18 VAL -6.44 -3.40 1 19 LEU -5.80 -2.92 1 20 VAL -3.01 -3.37 1 21 MET -2.90 -2.43 1 22 ASP -1.39 -0.38 1 23 GLU 1.41 -0.42 1 24 ASN -1.10 -0.19 1 26 VAL 5.15 2.30 1 27 SER 4.38 3.16 1 28 ARG 3.59 1.52 1 29 MET 2.82 3.70 1 30 VAL 5.78 2.82 1 32 LYS 5.44 0.50 1 34 LEU 2.95 0.53 1 35 LEU 2.55 2.50 1 36 VAL 5.38 4.95 1 37 HIS 4.78 2.80 1 38 LEU -0.62 -1.85 1 41 GLU -1.72 -0.60 1 42 VAL -1.42 -0.28 1 43 THR -0.72 -1.18 1 44 THR -3.41 -1.76 1 45 VAL -6.02 -0.95 1 46 SER -4.95 -0.48 1 47 SER -4.95 -0.48 1 48 ASN 4.04 1.97 1 49 GLU 4.58 2.75 1 50 GLU 1.89 0.99 1 52 LEU 2.71 -0.14 1 53 ARG 2.80 1.78 1 54 VAL 1.20 0.90 1 56 SER -4.50 0.17 1 57 HIS 2.31 1.22 1 58 GLU 0.92 0.62 1 59 HIS 1.69 0.54 1 60 LYS -0.11 1.18 1 61 VAL -5.55 -2.81 1 62 VAL -2.81 -2.02 1 63 PHE -2.58 -0.80 1 64 MET -4.45 -2.74 1 65 ASP -1.04 -0.22 1 66 VAL 1.37 -0.14 1 71 VAL 0.58 0.01 1 72 GLU 1.33 0.40 1 73 ASN 0.41 -0.28 1 74 TYR 2.36 0.93 1 75 GLN 4.75 1.94 1 76 ILE 2.09 -0.19 1 77 ALA 3.77 2.00 1 78 LEU 3.84 2.72 1 79 ARG 3.10 3.83 1 80 ILE 7.02 1.55 1 81 HIS 4.67 4.67 1 82 GLU 3.53 2.80 1 83 LYS 4.05 2.08 1 84 PHE 5.64 1.65 1 85 THR 5.61 2.62 1 86 LYS 3.60 1.12 1 87 GLN 0.12 -0.80 1 88 ARG 4.79 -0.42 1 89 HIS -4.55 0.33 1 90 GLN 0.93 -0.77 1 91 ARG 0.95 -1.44 1 93 LEU -1.42 -1.43 1 94 LEU -3.50 -2.05 1 95 VAL -3.44 -1.80 1 96 ALA -4.19 -1.96 1 97 LEU -0.56 -1.99 1 98 SER -4.14 -0.44 1 100 ASN -1.32 -0.24 1 101 THR 0.06 -0.67 1 102 ASP -0.12 0.21 1 103 LYS 2.63 1.12 1 104 SER 2.05 1.49 1 105 THR 5.35 1.43 1 106 LYS 6.41 2.01 1 107 GLU 3.40 -0.16 1 108 LYS 4.09 2.43 1 110 MET 3.70 3.25 1 111 SER 5.47 0.70 1 112 PHE 0.84 -1.82 1 114 LEU -0.84 -1.54 1 115 ASP -1.47 -0.38 1 117 VAL -4.22 -3.30 1 118 LEU -5.01 -3.34 1 119 LEU -1.51 -1.54 1 120 LYS 0.61 0.12 1 122 VAL -0.15 -1.64 1 124 LEU 3.97 0.80 1 125 ASP 3.79 1.48 1 126 ASN 3.35 3.05 1 127 ILE 5.40 0.44 1 128 ARG 5.03 2.37 1 129 ASP 4.38 1.90 1 130 VAL 4.87 1.26 1 131 LEU 3.72 1.12 1 132 SER 4.61 1.56 1 133 ASP 2.30 1.92 1 134 LEU 0.45 0.83 1 135 LEU 0.03 -0.24 1 136 GLU 0.94 -0.44 1 138 ARG 0.48 2.05 1 139 VAL 0.73 -0.49 1 140 LEU -0.18 -0.88 1 141 TYR -0.42 -0.21 1 142 GLU -0.33 0.04 1 144 MET 0.89 -0.90 1 stop_ save_