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 bmr4360_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 5.03 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ILE 0.05 -3.37 0 77 HIS 4.69 6.78 0 10 TYR 0.63 1.19 1 11 SER -3.85 -3.24 1 12 THR 4.63 3.69 1 13 GLN 3.47 3.21 1 14 GLN -0.16 0.95 1 17 LEU -6.32 -1.68 1 18 ILE -0.86 -0.07 1 19 VAL -3.27 -1.78 1 22 ILE 5.99 4.77 1 23 ARG -2.37 -0.86 1 25 VAL -6.46 -2.59 1 26 HIS 1.94 0.53 1 27 LEU -0.97 -0.05 1 28 ALA -0.82 0.02 1 29 ALA -0.94 -0.71 1 30 MET -1.27 -1.77 1 31 ASP -3.70 -0.69 1 32 ALA 2.32 1.99 1 33 ASN 1.22 0.04 1 35 TYR -3.95 -0.96 1 36 SER -6.53 -0.14 1 37 ASP -1.81 0.42 1 39 PHE -4.40 -1.13 1 40 VAL -2.31 -1.20 1 41 LYS -3.00 -0.38 1 42 LEU -4.05 -0.51 1 43 TRP -5.72 -2.45 1 44 LEU -1.57 -1.03 1 45 LYS -1.43 0.07 1 47 ASP 2.08 2.00 1 48 MET 0.39 -0.81 1 50 LYS 2.69 2.40 1 51 LYS 1.30 0.60 1 52 ALA -0.57 1.97 1 53 LYS -3.15 -0.33 1 54 HIS -7.41 0.00 1 55 LYS -4.54 -0.80 1 56 THR -2.90 -0.08 1 57 GLN -0.42 0.84 1 58 ILE -1.13 0.48 1 59 LYS -2.68 -3.59 1 60 LYS -1.03 -0.21 1 61 LYS 1.61 0.83 1 62 THR -0.36 -1.05 1 63 LEU -0.60 -1.74 1 64 ASN -2.97 0.14 1 66 GLU -2.24 -1.15 1 67 PHE 1.31 2.66 1 68 ASN 2.81 2.07 1 69 GLU -5.97 -0.09 1 70 GLU -5.84 -2.06 1 71 PHE -4.27 -0.85 1 72 PHE -4.02 -0.95 1 73 TYR -3.32 -0.48 1 74 ASP 0.67 0.22 1 75 ILE -2.73 -0.77 1 76 LYS 0.60 0.78 1 78 SER 3.51 2.33 1 79 ASP 1.25 1.79 1 80 LEU 3.49 3.10 1 81 ALA 2.79 2.43 1 82 LYS -0.39 0.04 1 83 LYS -4.61 -2.49 1 84 SER -3.55 -1.34 1 85 LEU -4.64 -1.52 1 86 ASP -2.82 0.33 1 87 ILE -1.15 -0.21 1 88 SER -3.65 -1.16 1 89 VAL 0.08 -0.51 1 90 TRP -6.19 -1.70 1 91 ASP -4.40 -2.30 1 92 TYR 0.27 1.42 1 93 ASP -4.84 -1.79 1 94 ILE 0.45 0.72 1 96 LYS -0.72 -1.08 1 97 SER 0.23 0.43 1 98 ASN 0.28 1.28 1 99 ASP -2.37 0.31 1 100 TYR 0.22 0.44 1 101 ILE 3.45 3.08 1 105 GLN -3.24 -1.00 1 106 LEU -4.24 -1.49 1 108 ILE 1.77 1.46 1 109 SER -0.23 -0.51 1 110 ALA -3.01 -1.02 1 111 LYS -4.68 -1.35 1 113 GLU 2.20 2.42 1 114 ARG 3.93 4.34 1 115 LEU 2.25 1.97 1 116 LYS 3.81 3.99 1 117 HIS -2.22 2.86 1 118 TRP 1.28 3.02 1 119 TYR 3.95 3.95 1 120 GLU 3.35 3.68 1 122 LEU 3.55 3.04 1 123 LYS 0.27 1.13 1 124 ASN -2.82 -0.92 1 125 LYS 2.14 2.55 1 126 ASP 5.38 3.59 1 127 LYS -3.49 -1.07 1 128 LYS 0.43 0.49 1 129 ILE -1.87 -0.99 1 130 GLU -3.88 -1.30 1 131 ARG -6.07 -1.56 1 132 TRP -2.48 -0.67 1 133 HIS -6.21 0.89 1 134 GLN -0.41 0.56 1 135 LEU -1.00 -0.68 1 136 GLN -4.84 -1.62 1 137 ASN 0.82 -0.18 1 138 GLU -1.50 -0.58 1 139 ASN 1.32 1.02 1 140 HIS -0.09 0.89 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4360_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 5.24 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 -0.96 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ILE 0.05 -3.42 0 77 HIS 4.69 2.09 0 10 TYR 0.63 0.56 1 11 SER -3.85 0.61 1 12 THR 4.63 -0.94 1 13 GLN 3.47 -0.26 1 14 GLN -0.16 1.11 1 17 LEU -6.32 4.64 1 18 ILE -0.86 0.79 1 19 VAL -3.27 1.49 1 22 ILE 5.99 -1.22 1 23 ARG -2.37 1.51 1 25 VAL -6.46 3.87 1 26 HIS 1.94 -1.41 1 27 LEU -0.97 0.92 1 28 ALA -0.82 0.84 1 29 ALA -0.94 0.23 1 30 MET -1.27 -0.50 1 31 ASP -3.70 3.01 1 32 ALA 2.32 -0.33 1 33 ASN 1.22 -1.18 1 35 TYR -3.95 2.99 1 36 SER -6.53 6.39 1 37 ASP -1.81 2.23 1 39 PHE -4.40 3.27 1 40 VAL -2.31 1.11 1 41 LYS -3.00 2.62 1 42 LEU -4.05 3.54 1 43 TRP -5.72 3.27 1 44 LEU -1.57 0.54 1 45 LYS -1.43 1.50 1 47 ASP 2.08 -0.08 1 48 MET 0.39 -1.20 1 50 LYS 2.69 -0.29 1 51 LYS 1.30 -0.70 1 52 ALA -0.57 2.54 1 53 LYS -3.15 2.82 1 54 HIS -7.41 7.41 1 55 LYS -4.54 3.74 1 56 THR -2.90 2.82 1 57 GLN -0.42 1.26 1 58 ILE -1.13 1.61 1 59 LYS -2.68 -0.91 1 60 LYS -1.03 0.82 1 61 LYS 1.61 -0.78 1 62 THR -0.36 -0.69 1 63 LEU -0.60 -1.14 1 64 ASN -2.97 3.11 1 66 GLU -2.24 1.09 1 67 PHE 1.31 1.35 1 68 ASN 2.81 -0.74 1 69 GLU -5.97 5.88 1 70 GLU -5.84 3.78 1 71 PHE -4.27 3.42 1 72 PHE -4.02 3.07 1 73 TYR -3.32 2.84 1 74 ASP 0.67 -0.45 1 75 ILE -2.73 1.96 1 76 LYS 0.60 0.18 1 78 SER 3.51 -1.18 1 79 ASP 1.25 0.54 1 80 LEU 3.49 -0.39 1 81 ALA 2.79 -0.36 1 82 LYS -0.39 0.43 1 83 LYS -4.61 2.12 1 84 SER -3.55 2.21 1 85 LEU -4.64 3.12 1 86 ASP -2.82 3.15 1 87 ILE -1.15 0.94 1 88 SER -3.65 2.49 1 89 VAL 0.08 -0.59 1 90 TRP -6.19 4.49 1 91 ASP -4.40 2.10 1 92 TYR 0.27 1.15 1 93 ASP -4.84 3.05 1 94 ILE 0.45 0.27 1 96 LYS -0.72 -0.36 1 97 SER 0.23 0.20 1 98 ASN 0.28 1.00 1 99 ASP -2.37 2.68 1 100 TYR 0.22 0.22 1 101 ILE 3.45 -0.37 1 105 GLN -3.24 2.24 1 106 LEU -4.24 2.75 1 108 ILE 1.77 -0.31 1 109 SER -0.23 -0.28 1 110 ALA -3.01 1.99 1 111 LYS -4.68 3.33 1 113 GLU 2.20 0.22 1 114 ARG 3.93 0.41 1 115 LEU 2.25 -0.28 1 116 LYS 3.81 0.18 1 117 HIS -2.22 5.08 1 118 TRP 1.28 1.74 1 119 TYR 3.95 0.00 1 120 GLU 3.35 0.33 1 122 LEU 3.55 -0.51 1 123 LYS 0.27 0.86 1 124 ASN -2.82 1.90 1 125 LYS 2.14 0.41 1 126 ASP 5.38 -1.79 1 127 LYS -3.49 2.42 1 128 LYS 0.43 0.06 1 129 ILE -1.87 0.88 1 130 GLU -3.88 2.58 1 131 ARG -6.07 4.51 1 132 TRP -2.48 1.81 1 133 HIS -6.21 7.10 1 134 GLN -0.41 0.97 1 135 LEU -1.00 0.32 1 136 GLN -4.84 3.22 1 137 ASN 0.82 -1.00 1 138 GLU -1.50 0.92 1 139 ASN 1.32 -0.30 1 140 HIS -0.09 0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4360_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 77 HIS 4.69 -1.55 0 10 TYR 0.63 -0.02 1 11 SER -3.85 0.64 1 12 THR 4.63 -0.11 1 13 GLN 3.47 -0.29 1 14 GLN -0.16 -0.20 1 17 LEU -6.32 0.21 1 18 ILE -0.86 0.78 1 19 VAL -3.27 0.73 1 21 ILE 0.05 0.28 1 22 ILE 5.99 -0.24 1 23 ARG -2.37 0.91 1 25 VAL -6.46 1.08 1 26 HIS 1.94 -0.61 1 27 LEU -0.97 0.17 1 28 ALA -0.82 -0.27 1 29 ALA -0.94 -0.38 1 30 MET -1.27 0.39 1 31 ASP -3.70 0.74 1 32 ALA 2.32 -0.22 1 33 ASN 1.22 -0.29 1 35 TYR -3.95 0.18 1 36 SER -6.53 0.13 1 37 ASP -1.81 1.13 1 39 PHE -4.40 0.26 1 40 VAL -2.31 0.84 1 41 LYS -3.00 0.71 1 42 LEU -4.05 1.04 1 43 TRP -5.72 0.79 1 44 LEU -1.57 0.44 1 45 LYS -1.43 -0.44 1 47 ASP 2.08 -0.15 1 48 MET 0.39 0.32 1 50 LYS 2.69 -0.20 1 51 LYS 1.30 0.08 1 52 ALA -0.57 0.12 1 53 LYS -3.15 1.07 1 54 HIS -7.41 0.04 1 55 LYS -4.54 1.17 1 56 THR -2.90 0.65 1 57 GLN -0.42 -0.13 1 58 ILE -1.13 0.33 1 59 LYS -2.68 0.38 1 60 LYS -1.03 0.36 1 61 LYS 1.61 -0.69 1 62 THR -0.36 0.43 1 63 LEU -0.60 0.24 1 64 ASN -2.97 0.41 1 66 GLU -2.24 0.03 1 67 PHE 1.31 0.09 1 68 ASN 2.81 -0.41 1 69 GLU -5.97 0.24 1 70 GLU -5.84 0.81 1 71 PHE -4.27 -0.25 1 72 PHE -4.02 0.76 1 73 TYR -3.32 -0.04 1 74 ASP 0.67 -0.37 1 75 ILE -2.73 0.33 1 76 LYS 0.60 -0.02 1 78 SER 3.51 -0.53 1 79 ASP 1.25 0.01 1 80 LEU 3.49 -0.46 1 81 ALA 2.79 -0.26 1 82 LYS -0.39 0.07 1 83 LYS -4.61 0.73 1 84 SER -3.55 -0.26 1 85 LEU -4.64 0.43 1 86 ASP -2.82 0.17 1 87 ILE -1.15 0.65 1 88 SER -3.65 0.64 1 89 VAL 0.08 0.56 1 90 TRP -6.19 -0.02 1 91 ASP -4.40 0.14 1 92 TYR 0.27 0.06 1 93 ASP -4.84 0.18 1 94 ILE 0.45 -0.32 1 96 LYS -0.72 0.25 1 97 SER 0.23 -0.11 1 98 ASN 0.28 0.09 1 99 ASP -2.37 0.55 1 100 TYR 0.22 -1.05 1 101 ILE 3.45 -0.44 1 105 GLN -3.24 0.95 1 106 LEU -4.24 -0.02 1 108 ILE 1.77 -0.08 1 109 SER -0.23 0.03 1 110 ALA -3.01 0.03 1 111 LYS -4.68 0.39 1 113 GLU 2.20 -0.12 1 114 ARG 3.93 -0.23 1 115 LEU 2.25 0.02 1 116 LYS 3.81 -0.29 1 117 HIS -2.22 -0.17 1 118 TRP 1.28 -0.66 1 119 TYR 3.95 -0.47 1 120 GLU 3.35 -0.47 1 122 LEU 3.55 -0.74 1 123 LYS 0.27 -0.22 1 124 ASN -2.82 0.30 1 125 LYS 2.14 -0.11 1 126 ASP 5.38 -0.23 1 127 LYS -3.49 0.28 1 128 LYS 0.43 0.21 1 129 ILE -1.87 0.30 1 130 GLU -3.88 1.07 1 131 ARG -6.07 0.02 1 132 TRP -2.48 0.40 1 133 HIS -6.21 0.36 1 134 GLN -0.41 0.15 1 135 LEU -1.00 -0.05 1 136 GLN -4.84 0.58 1 137 ASN 0.82 0.15 1 138 GLU -1.50 0.05 1 139 ASN 1.32 -0.36 1 140 HIS -0.09 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4360_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.27 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 1.80 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 HIS -6.21 1.35 0 126 ASP 5.38 -2.47 0 10 TYR 0.63 -1.72 1 11 SER -3.85 1.11 1 12 THR 4.63 2.90 1 13 GLN 3.47 1.61 1 14 GLN -0.16 0.37 1 17 LEU -6.32 -3.58 1 18 ILE -0.86 0.26 1 19 VAL -3.27 -1.42 1 21 ILE 0.05 -1.95 1 22 ILE 5.99 0.53 1 23 ARG -2.37 -2.73 1 25 VAL -6.46 -2.11 1 26 HIS 1.94 -0.51 1 27 LEU -0.97 -0.71 1 28 ALA -0.82 -1.34 1 29 ALA -0.94 -0.24 1 30 MET -1.27 -0.41 1 31 ASP -3.70 0.60 1 32 ALA 2.32 -0.88 1 33 ASN 1.22 0.43 1 35 TYR -3.95 -3.96 1 36 SER -6.53 -4.02 1 37 ASP -1.81 -1.50 1 39 PHE -4.40 -4.21 1 40 VAL -2.31 -1.65 1 41 LYS -3.00 -1.59 1 42 LEU -4.05 -1.51 1 43 TRP -5.72 -2.60 1 44 LEU -1.57 -4.07 1 45 LYS -1.43 -1.33 1 47 ASP 2.08 -0.30 1 48 MET 0.39 1.36 1 50 LYS 2.69 1.27 1 51 LYS 1.30 -0.31 1 52 ALA -0.57 0.64 1 53 LYS -3.15 -1.62 1 54 HIS -7.41 -0.77 1 55 LYS -4.54 -1.00 1 56 THR -2.90 0.57 1 57 GLN -0.42 -0.27 1 58 ILE -1.13 0.74 1 59 LYS -2.68 -2.38 1 60 LYS -1.03 0.37 1 61 LYS 1.61 -2.86 1 62 THR -0.36 -4.12 1 63 LEU -0.60 -1.81 1 64 ASN -2.97 -1.22 1 66 GLU -2.24 -1.69 1 67 PHE 1.31 -0.17 1 68 ASN 2.81 -1.50 1 69 GLU -5.97 -1.91 1 70 GLU -5.84 -2.12 1 71 PHE -4.27 -2.91 1 72 PHE -4.02 -1.36 1 73 TYR -3.32 -2.69 1 74 ASP 0.67 -1.72 1 75 ILE -2.73 -3.04 1 76 LYS 0.60 1.07 1 77 HIS 4.69 3.40 1 78 SER 3.51 1.43 1 79 ASP 1.25 1.62 1 80 LEU 3.49 0.47 1 81 ALA 2.79 0.59 1 82 LYS -0.39 -0.29 1 83 LYS -4.61 -1.68 1 84 SER -3.55 -3.35 1 85 LEU -4.64 -4.17 1 86 ASP -2.82 -1.21 1 87 ILE -1.15 -1.86 1 88 SER -3.65 -3.33 1 89 VAL 0.08 -2.80 1 90 TRP -6.19 -3.53 1 91 ASP -4.40 -1.35 1 92 TYR 0.27 -0.58 1 93 ASP -4.84 -4.02 1 94 ILE 0.45 1.09 1 96 LYS -0.72 -2.22 1 97 SER 0.23 -1.15 1 98 ASN 0.28 0.40 1 99 ASP -2.37 -1.05 1 100 TYR 0.22 -1.53 1 101 ILE 3.45 -1.58 1 105 GLN -3.24 -2.06 1 106 LEU -4.24 -3.91 1 108 ILE 1.77 -0.71 1 109 SER -0.23 -0.58 1 110 ALA -3.01 -3.91 1 111 LYS -4.68 1.33 1 113 GLU 2.20 2.34 1 114 ARG 3.93 0.59 1 115 LEU 2.25 0.93 1 116 LYS 3.81 1.79 1 117 HIS -2.22 2.71 1 118 TRP 1.28 1.56 1 119 TYR 3.95 2.09 1 120 GLU 3.35 2.41 1 122 LEU 3.55 2.03 1 123 LYS 0.27 -0.37 1 124 ASN -2.82 -2.28 1 125 LYS 2.14 -0.41 1 127 LYS -3.49 -2.32 1 128 LYS 0.43 -0.63 1 129 ILE -1.87 0.41 1 130 GLU -3.88 -1.34 1 131 ARG -6.07 -2.05 1 132 TRP -2.48 0.33 1 134 GLN -0.41 -0.24 1 135 LEU -1.00 -1.29 1 136 GLN -4.84 -0.36 1 137 ASN 0.82 -0.68 1 138 GLU -1.50 -1.07 1 139 ASN 1.32 -0.36 1 140 HIS -0.09 -0.24 1 stop_ save_