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 bmr6032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 -3.47 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.11 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 4.40 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 PHE 6.06 0.72 0 105 VAL 1.37 -2.48 0 11 ARG 4.65 3.21 1 12 ALA 4.08 2.16 1 13 ALA 3.44 2.11 1 14 TYR 2.48 1.99 1 15 ASN 3.37 1.74 1 16 LEU 3.05 2.36 1 17 VAL 2.47 1.54 1 18 ARG 2.11 0.66 1 19 ASP -0.57 -1.10 1 20 ASP 2.43 1.47 1 22 SER -1.17 -0.75 1 23 ALA 0.69 -0.23 1 24 VAL 0.99 0.37 1 25 ILE -1.02 -1.09 1 26 TRP -6.62 -3.55 1 27 VAL -4.92 -3.07 1 28 THR -6.36 -3.92 1 29 PHE -2.07 -2.31 1 30 ARG -6.77 -4.00 1 31 TYR 1.18 0.62 1 32 ASP -1.54 -2.01 1 34 ALA -0.99 -1.10 1 35 THR -1.27 -1.13 1 36 ILE 1.21 0.12 1 37 VAL -2.80 -2.25 1 40 ASP -3.74 -1.46 1 41 GLN -5.65 -3.28 1 43 ALA -2.91 -0.98 1 44 ASP -3.40 -1.92 1 45 TYR 4.82 4.45 1 46 GLN 4.96 2.57 1 47 HIS 2.38 2.58 1 49 ILE 5.99 3.68 1 50 GLN 2.53 1.07 1 51 GLN 1.02 -0.45 1 53 THR -1.31 -1.58 1 54 ASP 3.77 2.97 1 55 ASP -0.96 -1.98 1 56 VAL -5.57 -2.80 1 57 ARG -5.36 -3.75 1 58 LEU -2.99 -0.74 1 59 PHE -5.16 -2.84 1 60 ALA -7.43 -2.01 1 61 PHE -4.83 -1.89 1 62 VAL -5.53 -2.50 1 63 ARG -3.86 -1.51 1 64 PHE -2.43 -1.28 1 65 THR 0.31 -0.16 1 66 THR -1.46 -1.27 1 68 ASP -2.03 -1.54 1 69 ALA 2.45 1.35 1 70 MET 1.32 0.25 1 71 SER -0.60 -1.15 1 72 LYS 0.49 -0.23 1 73 ARG -2.36 -1.32 1 74 SER -1.54 -0.67 1 75 LYS -6.24 -2.15 1 76 PHE -4.26 -1.71 1 77 ALA -6.28 -2.68 1 78 LEU -2.95 -2.01 1 79 ILE -4.63 -1.01 1 80 THR 2.31 1.02 1 81 TRP -3.74 -2.88 1 82 ILE -2.23 -2.09 1 84 GLU 1.99 1.74 1 85 ASP 0.58 -0.52 1 86 VAL 2.49 0.35 1 87 SER -1.13 -0.72 1 89 LEU 3.16 2.34 1 90 GLN 3.77 2.39 1 91 ARG 4.76 3.51 1 92 ALA 3.43 1.92 1 93 LYS 2.95 1.74 1 94 THR 6.30 5.07 1 96 THR 4.40 2.82 1 97 ASP 3.21 1.91 1 98 LYS 4.14 2.55 1 99 THR 5.60 3.98 1 100 LEU 3.31 1.71 1 101 VAL 5.31 3.11 1 102 LYS 3.55 2.10 1 103 GLU 2.58 1.54 1 104 VAL 1.24 0.22 1 106 GLN 0.17 1.04 1 107 ASN -1.27 -0.49 1 108 PHE -1.73 -2.34 1 109 ALA 0.71 0.94 1 110 LYS -4.58 -1.39 1 111 GLU -5.93 -4.03 1 112 PHE -5.38 -1.54 1 113 VAL 1.33 0.11 1 114 ILE -4.32 -0.75 1 115 SER -3.37 -1.40 1 116 ASP -4.72 -2.54 1 117 ARG 4.16 3.03 1 118 LYS 4.72 2.65 1 119 GLU 0.39 -0.54 1 120 LEU -2.91 -1.97 1 121 GLU 1.11 0.54 1 122 GLU 3.84 3.29 1 123 ASP 3.74 2.46 1 124 PHE 4.24 2.88 1 125 ILE 5.42 1.82 1 126 ARG 5.29 4.03 1 127 SER 4.65 2.81 1 128 GLU 1.40 1.39 1 129 LEU 2.93 1.64 1 130 LYS 2.80 1.84 1 131 LYS 1.15 0.56 1 132 ALA -0.11 -0.42 1 135 ALA -0.14 -0.49 1 136 ASN -0.10 -0.65 1 137 TYR 0.32 -0.31 1 138 ASP -0.31 -0.71 1 139 ALA 0.17 -0.29 1 140 GLN 0.12 -0.39 1 141 SER -0.26 -0.48 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 3.96 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.11 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 PHE 6.06 -5.34 0 105 VAL 1.37 -3.85 0 11 ARG 4.65 -1.44 1 12 ALA 4.08 -1.92 1 13 ALA 3.44 -1.33 1 14 TYR 2.48 -0.49 1 15 ASN 3.37 -1.63 1 16 LEU 3.05 -0.69 1 17 VAL 2.47 -0.93 1 18 ARG 2.11 -1.45 1 19 ASP -0.57 -0.53 1 20 ASP 2.43 -0.96 1 22 SER -1.17 0.42 1 23 ALA 0.69 -0.92 1 24 VAL 0.99 -0.62 1 25 ILE -1.02 -0.07 1 26 TRP -6.62 3.07 1 27 VAL -4.92 1.85 1 28 THR -6.36 2.44 1 29 PHE -2.07 -0.24 1 30 ARG -6.77 2.77 1 31 TYR 1.18 -0.56 1 32 ASP -1.54 -0.47 1 34 ALA -0.99 -0.11 1 35 THR -1.27 0.14 1 36 ILE 1.21 -1.09 1 37 VAL -2.80 0.55 1 40 ASP -3.74 2.28 1 41 GLN -5.65 2.37 1 43 ALA -2.91 1.93 1 44 ASP -3.40 1.48 1 45 TYR 4.82 -0.37 1 46 GLN 4.96 -2.39 1 47 HIS 2.38 0.20 1 49 ILE 5.99 -2.31 1 50 GLN 2.53 -1.46 1 51 GLN 1.02 -1.47 1 53 THR -1.31 -0.27 1 54 ASP 3.77 -0.80 1 55 ASP -0.96 -1.02 1 56 VAL -5.57 2.77 1 57 ARG -5.36 1.61 1 58 LEU -2.99 2.25 1 59 PHE -5.16 2.32 1 60 ALA -7.43 5.42 1 61 PHE -4.83 2.94 1 62 VAL -5.53 3.03 1 63 ARG -3.86 2.35 1 64 PHE -2.43 1.15 1 65 THR 0.31 -0.47 1 66 THR -1.46 0.19 1 68 ASP -2.03 0.49 1 69 ALA 2.45 -1.10 1 70 MET 1.32 -1.07 1 71 SER -0.60 -0.55 1 72 LYS 0.49 -0.72 1 73 ARG -2.36 1.04 1 74 SER -1.54 0.87 1 75 LYS -6.24 4.09 1 76 PHE -4.26 2.55 1 77 ALA -6.28 3.60 1 78 LEU -2.95 0.94 1 79 ILE -4.63 3.62 1 80 THR 2.31 -1.29 1 81 TRP -3.74 0.86 1 82 ILE -2.23 0.14 1 84 GLU 1.99 -0.25 1 85 ASP 0.58 -1.10 1 86 VAL 2.49 -2.14 1 87 SER -1.13 0.41 1 89 LEU 3.16 -0.82 1 90 GLN 3.77 -1.38 1 91 ARG 4.76 -1.25 1 92 ALA 3.43 -1.51 1 93 LYS 2.95 -1.21 1 94 THR 6.30 -1.23 1 96 THR 4.40 -1.58 1 97 ASP 3.21 -1.30 1 98 LYS 4.14 -1.59 1 99 THR 5.60 -1.62 1 100 LEU 3.31 -1.60 1 101 VAL 5.31 -2.20 1 102 LYS 3.55 -1.45 1 103 GLU 2.58 -1.04 1 104 VAL 1.24 -1.02 1 106 GLN 0.17 0.87 1 107 ASN -1.27 0.78 1 108 PHE -1.73 -0.61 1 109 ALA 0.71 0.23 1 110 LYS -4.58 3.19 1 111 GLU -5.93 1.90 1 112 PHE -5.38 3.84 1 113 VAL 1.33 -1.22 1 114 ILE -4.32 3.57 1 115 SER -3.37 1.97 1 116 ASP -4.72 2.18 1 117 ARG 4.16 -1.13 1 118 LYS 4.72 -2.07 1 119 GLU 0.39 -0.93 1 120 LEU -2.91 0.94 1 121 GLU 1.11 -0.57 1 122 GLU 3.84 -0.55 1 123 ASP 3.74 -1.28 1 124 PHE 4.24 -1.36 1 125 ILE 5.42 -3.60 1 126 ARG 5.29 -1.26 1 127 SER 4.65 -1.84 1 128 GLU 1.40 -0.01 1 129 LEU 2.93 -1.29 1 130 LYS 2.80 -0.96 1 131 LYS 1.15 -0.59 1 132 ALA -0.11 -0.31 1 135 ALA -0.14 -0.35 1 136 ASN -0.10 -0.55 1 137 TYR 0.32 -0.63 1 138 ASP -0.31 -0.40 1 139 ALA 0.17 -0.46 1 140 GLN 0.12 -0.51 1 141 SER -0.26 -0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _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 115 SER -3.37 -0.87 0 48 PHE 6.06 -2.16 0 11 ARG 4.65 -0.68 1 12 ALA 4.08 -0.22 1 13 ALA 3.44 -0.17 1 14 TYR 2.48 -0.51 1 15 ASN 3.37 -0.83 1 16 LEU 3.05 -0.24 1 17 VAL 2.47 -0.33 1 18 ARG 2.11 -0.35 1 19 ASP -0.57 -0.21 1 20 ASP 2.43 -0.46 1 22 SER -1.17 -0.24 1 23 ALA 0.69 -0.22 1 24 VAL 0.99 -0.59 1 25 ILE -1.02 0.23 1 26 TRP -6.62 0.96 1 27 VAL -4.92 0.82 1 28 THR -6.36 1.17 1 29 PHE -2.07 0.67 1 30 ARG -6.77 0.78 1 31 TYR 1.18 -0.07 1 32 ASP -1.54 0.13 1 34 ALA -0.99 0.29 1 35 THR -1.27 0.42 1 36 ILE 1.21 0.21 1 37 VAL -2.80 0.25 1 40 ASP -3.74 0.12 1 41 GLN -5.65 -0.05 1 43 ALA -2.91 0.29 1 44 ASP -3.40 0.34 1 45 TYR 4.82 -0.78 1 46 GLN 4.96 -0.65 1 47 HIS 2.38 -0.54 1 49 ILE 5.99 -1.97 1 50 GLN 2.53 -0.83 1 51 GLN 1.02 -0.57 1 53 THR -1.31 -0.05 1 54 ASP 3.77 0.02 1 55 ASP -0.96 -0.29 1 56 VAL -5.57 0.64 1 57 ARG -5.36 1.09 1 58 LEU -2.99 0.40 1 59 PHE -5.16 1.20 1 60 ALA -7.43 1.15 1 61 PHE -4.83 1.18 1 62 VAL -5.53 0.82 1 63 ARG -3.86 -0.25 1 64 PHE -2.43 -0.18 1 65 THR 0.31 0.35 1 66 THR -1.46 0.15 1 68 ASP -2.03 -0.10 1 69 ALA 2.45 -0.36 1 70 MET 1.32 -0.09 1 71 SER -0.60 -0.03 1 72 LYS 0.49 0.12 1 73 ARG -2.36 0.15 1 74 SER -1.54 0.56 1 75 LYS -6.24 0.24 1 76 PHE -4.26 0.89 1 77 ALA -6.28 1.18 1 78 LEU -2.95 1.06 1 79 ILE -4.63 0.66 1 80 THR 2.31 0.40 1 81 TRP -3.74 0.77 1 82 ILE -2.23 -0.46 1 84 GLU 1.99 -0.50 1 85 ASP 0.58 0.01 1 86 VAL 2.49 -0.45 1 87 SER -1.13 -0.21 1 89 LEU 3.16 -0.27 1 90 GLN 3.77 -0.51 1 91 ARG 4.76 -0.78 1 92 ALA 3.43 -0.28 1 93 LYS 2.95 -0.28 1 94 THR 6.30 -0.28 1 96 THR 4.40 -0.19 1 97 ASP 3.21 -0.33 1 98 LYS 4.14 -0.90 1 99 THR 5.60 -0.75 1 100 LEU 3.31 -0.48 1 101 VAL 5.31 -1.38 1 102 LYS 3.55 -0.55 1 103 GLU 2.58 -0.53 1 104 VAL 1.24 -0.69 1 105 VAL 1.37 -1.52 1 106 GLN 0.17 -0.29 1 107 ASN -1.27 -0.09 1 108 PHE -1.73 0.19 1 109 ALA 0.71 0.04 1 110 LYS -4.58 0.10 1 111 GLU -5.93 1.36 1 112 PHE -5.38 0.27 1 113 VAL 1.33 0.75 1 114 ILE -4.32 0.20 1 116 ASP -4.72 0.30 1 117 ARG 4.16 -0.60 1 118 LYS 4.72 -0.33 1 119 GLU 0.39 -0.94 1 120 LEU -2.91 -0.11 1 121 GLU 1.11 -0.45 1 122 GLU 3.84 -0.94 1 123 ASP 3.74 -0.47 1 124 PHE 4.24 -0.48 1 125 ILE 5.42 -1.15 1 126 ARG 5.29 -1.13 1 127 SER 4.65 -0.50 1 128 GLU 1.40 -0.50 1 129 LEU 2.93 -0.47 1 130 LYS 2.80 -0.40 1 131 LYS 1.15 -0.22 1 132 ALA -0.11 -0.09 1 135 ALA -0.14 -0.13 1 136 ASN -0.10 -0.13 1 137 TYR 0.32 -0.14 1 138 ASP -0.31 -0.19 1 139 ALA 0.17 -0.17 1 140 GLN 0.12 -0.09 1 141 SER -0.26 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 -3.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 6.30 _LACS_plot.Line_2_terminator_val_y_2 2.31 _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 53 THR -1.31 2.43 0 105 VAL 1.37 -2.80 0 54 ASP 3.77 -1.69 0 116 ASP -4.72 0.94 0 44 ASP -3.40 1.67 0 11 ARG 4.65 1.16 1 12 ALA 4.08 2.26 1 13 ALA 3.44 0.47 1 14 TYR 2.48 0.57 1 15 ASN 3.37 2.41 1 16 LEU 3.05 1.13 1 17 VAL 2.47 0.91 1 18 ARG 2.11 -0.76 1 19 ASP -0.57 0.03 1 20 ASP 2.43 0.95 1 22 SER -1.17 0.27 1 23 ALA 0.69 -1.00 1 24 VAL 0.99 -1.45 1 25 ILE -1.02 -2.53 1 26 TRP -6.62 -2.65 1 27 VAL -4.92 -1.46 1 28 THR -6.36 -0.65 1 29 PHE -2.07 -1.59 1 30 ARG -6.77 -2.34 1 31 TYR 1.18 0.99 1 32 ASP -1.54 0.58 1 34 ALA -0.99 -2.41 1 35 THR -1.27 -1.72 1 36 ILE 1.21 -2.24 1 37 VAL -2.80 -1.64 1 40 ASP -3.74 -2.89 1 41 GLN -5.65 -1.95 1 43 ALA -2.91 -1.57 1 45 TYR 4.82 1.16 1 46 GLN 4.96 2.71 1 47 HIS 2.38 2.78 1 48 PHE 6.06 0.71 1 49 ILE 5.99 1.99 1 50 GLN 2.53 1.01 1 51 GLN 1.02 0.27 1 55 ASP -0.96 -0.85 1 56 VAL -5.57 -2.69 1 57 ARG -5.36 -2.04 1 58 LEU -2.99 -3.91 1 59 PHE -5.16 -0.61 1 60 ALA -7.43 -3.43 1 61 PHE -4.83 -1.89 1 62 VAL -5.53 -2.78 1 63 ARG -3.86 -2.09 1 64 PHE -2.43 -0.23 1 65 THR 0.31 0.17 1 66 THR -1.46 -0.85 1 68 ASP -2.03 -0.40 1 69 ALA 2.45 0.89 1 70 MET 1.32 0.51 1 71 SER -0.60 -0.84 1 72 LYS 0.49 0.01 1 73 ARG -2.36 -0.48 1 74 SER -1.54 -1.38 1 75 LYS -6.24 -2.42 1 76 PHE -4.26 -0.50 1 77 ALA -6.28 -2.99 1 78 LEU -2.95 -2.63 1 79 ILE -4.63 -1.49 1 80 THR 2.31 -1.57 1 81 TRP -3.74 -1.43 1 82 ILE -2.23 -2.16 1 84 GLU 1.99 0.45 1 85 ASP 0.58 0.37 1 86 VAL 2.49 0.12 1 87 SER -1.13 0.35 1 89 LEU 3.16 1.79 1 90 GLN 3.77 3.57 1 91 ARG 4.76 2.10 1 92 ALA 3.43 2.91 1 93 LYS 2.95 1.47 1 94 THR 6.30 1.38 1 96 THR 4.40 2.36 1 97 ASP 3.21 1.21 1 98 LYS 4.14 0.77 1 99 THR 5.60 1.34 1 100 LEU 3.31 1.47 1 101 VAL 5.31 2.37 1 102 LYS 3.55 -0.29 1 103 GLU 2.58 1.16 1 104 VAL 1.24 -1.46 1 106 GLN 0.17 0.07 1 107 ASN -1.27 -2.39 1 108 PHE -1.73 -1.95 1 109 ALA 0.71 0.06 1 110 LYS -4.58 -3.39 1 111 GLU -5.93 -1.99 1 112 PHE -5.38 0.00 1 113 VAL 1.33 -1.01 1 114 ILE -4.32 -3.09 1 115 SER -3.37 -2.73 1 117 ARG 4.16 2.69 1 118 LYS 4.72 2.65 1 119 GLU 0.39 -2.77 1 120 LEU -2.91 0.11 1 121 GLU 1.11 0.94 1 122 GLU 3.84 1.29 1 123 ASP 3.74 2.43 1 124 PHE 4.24 1.69 1 125 ILE 5.42 2.07 1 126 ARG 5.29 2.79 1 127 SER 4.65 2.52 1 128 GLU 1.40 3.24 1 129 LEU 2.93 1.04 1 130 LYS 2.80 1.27 1 131 LYS 1.15 0.22 1 132 ALA -0.11 0.14 1 135 ALA -0.14 -0.44 1 136 ASN -0.10 -0.21 1 137 TYR 0.32 -0.49 1 138 ASP -0.31 -0.50 1 139 ALA 0.17 -0.07 1 140 GLN 0.12 0.01 1 141 SER -0.26 -1.01 1 stop_ save_