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 bmr6541_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _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 -1.96 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 5.03 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE 1.17 -1.92 0 97 ASN -5.83 -1.88 0 10 ALA 4.58 2.90 1 11 GLU 3.81 2.67 1 12 PHE 3.66 1.59 1 13 LYS 5.53 3.95 1 14 GLU 3.85 2.73 1 15 ALA 4.21 2.72 1 16 PHE 4.70 4.26 1 17 SER 3.89 3.12 1 18 LEU 3.35 2.04 1 19 PHE 0.62 1.61 1 20 ASP 0.64 -1.83 1 21 LYS 3.11 2.20 1 22 ASP 0.36 -1.39 1 24 ASP 0.47 -0.45 1 26 THR -4.70 -1.92 1 27 ILE -1.22 -0.61 1 28 THR -4.72 -2.15 1 29 THR 6.60 4.71 1 30 LYS 3.99 2.94 1 31 GLU 3.14 2.75 1 32 LEU 3.12 3.00 1 34 THR 6.23 5.13 1 35 VAL 5.96 4.10 1 36 MET 5.46 3.69 1 37 ARG 4.27 3.07 1 38 SER 4.48 3.27 1 39 LEU 0.25 -0.58 1 41 GLN -2.03 -1.17 1 42 ASN -0.40 -0.07 1 44 THR -2.59 -1.27 1 45 GLU 4.64 3.44 1 46 ALA 3.82 2.46 1 47 GLU 2.88 2.45 1 48 LEU 3.21 2.75 1 49 GLN 4.41 2.86 1 50 ASP 4.31 3.34 1 51 MET 3.87 3.94 1 52 ILE 5.47 3.74 1 53 ASN 3.87 2.83 1 54 GLU 2.11 2.24 1 55 VAL -0.95 -1.46 1 56 ASP 0.81 -0.41 1 57 ALA 1.78 1.70 1 58 ASP 0.01 -1.55 1 60 ASN 0.91 -0.52 1 62 THR -4.35 -2.27 1 63 ILE -1.74 -1.07 1 64 ASP -2.87 -2.03 1 65 PHE 2.80 2.12 1 67 GLU 3.50 3.51 1 68 PHE 4.62 2.84 1 69 LEU 6.22 4.75 1 70 THR 3.32 3.54 1 71 MET 2.50 0.37 1 72 MET 3.27 1.93 1 73 ALA 3.16 2.10 1 74 ARG 1.94 0.94 1 75 LYS 1.36 1.13 1 76 MET 0.81 0.33 1 77 LYS 0.58 0.38 1 78 ASP 0.47 0.36 1 79 THR 0.45 0.41 1 80 ASP 0.86 0.72 1 81 SER 2.89 2.19 1 82 GLU 3.81 2.88 1 83 GLU 3.40 2.70 1 84 GLU 5.19 3.60 1 85 ILE 5.45 4.04 1 86 ARG 3.43 2.37 1 87 GLU 4.37 2.52 1 88 ALA 5.30 4.40 1 89 PHE 3.86 2.78 1 90 ARG 5.03 3.39 1 91 VAL 1.93 2.21 1 93 ASP 3.51 2.72 1 94 LYS 0.56 -1.20 1 95 ASP 0.53 -0.43 1 99 TYR -0.42 -0.83 1 100 ILE -5.00 -2.46 1 101 SER 5.01 3.42 1 102 ALA 3.77 2.58 1 103 ALA 3.65 2.67 1 104 GLU 3.86 3.13 1 105 LEU 4.64 3.81 1 106 ARG 3.21 4.47 1 107 HIS 5.17 3.76 1 108 VAL 4.02 2.14 1 109 MET 4.61 3.81 1 110 THR 3.07 2.48 1 111 ASN 0.95 0.25 1 112 LEU -1.41 -1.20 1 114 GLU 0.96 -0.50 1 115 LYS -2.81 -0.94 1 116 LEU -2.46 -1.06 1 117 THR 5.37 3.82 1 118 ASP 4.41 3.27 1 119 GLU 2.41 2.60 1 120 GLU 6.56 4.68 1 121 VAL 4.23 3.44 1 122 ASP 3.47 2.60 1 123 GLU 3.94 4.00 1 124 MET 5.39 2.87 1 125 ILE 4.81 3.67 1 126 ARG 2.44 1.79 1 127 GLU -2.03 -0.47 1 128 ALA 0.85 -0.19 1 129 ASP 2.61 2.21 1 130 ILE 0.99 -0.43 1 131 ASP 0.56 -0.57 1 133 ASP -5.14 -2.58 1 135 GLN -0.93 -0.52 1 136 VAL -1.09 -1.96 1 137 ASN 6.42 4.90 1 138 TYR 5.08 3.75 1 139 GLU 2.26 1.84 1 140 GLU 4.02 3.85 1 141 PHE 6.51 4.81 1 142 VAL 4.69 3.09 1 143 GLN 2.82 2.94 1 144 MET 1.04 -0.12 1 145 MET 0.41 0.77 1 146 THR 0.80 0.28 1 147 ALA 1.15 1.28 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6541_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 3.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE 1.17 -3.09 0 97 ASN -5.83 3.95 0 10 ALA 4.58 -1.68 1 11 GLU 3.81 -1.14 1 12 PHE 3.66 -2.07 1 13 LYS 5.53 -1.58 1 14 GLU 3.85 -1.12 1 15 ALA 4.21 -1.49 1 16 PHE 4.70 -0.44 1 17 SER 3.89 -0.77 1 18 LEU 3.35 -1.31 1 19 PHE 0.62 0.99 1 20 ASP 0.64 -2.47 1 21 LYS 3.11 -0.91 1 22 ASP 0.36 -1.75 1 24 ASP 0.47 -0.92 1 26 THR -4.70 2.78 1 27 ILE -1.22 0.61 1 28 THR -4.72 2.57 1 29 THR 6.60 -1.89 1 30 LYS 3.99 -1.05 1 31 GLU 3.14 -0.39 1 32 LEU 3.12 -0.12 1 34 THR 6.23 -1.10 1 35 VAL 5.96 -1.86 1 36 MET 5.46 -1.77 1 37 ARG 4.27 -1.20 1 38 SER 4.48 -1.21 1 39 LEU 0.25 -0.83 1 41 GLN -2.03 0.86 1 42 ASN -0.40 0.33 1 44 THR -2.59 1.32 1 45 GLU 4.64 -1.20 1 46 ALA 3.82 -1.36 1 47 GLU 2.88 -0.43 1 48 LEU 3.21 -0.46 1 49 GLN 4.41 -1.55 1 50 ASP 4.31 -0.97 1 51 MET 3.87 0.07 1 52 ILE 5.47 -1.73 1 53 ASN 3.87 -1.04 1 54 GLU 2.11 0.13 1 55 VAL -0.95 -0.51 1 56 ASP 0.81 -1.22 1 57 ALA 1.78 -0.08 1 58 ASP 0.01 -1.56 1 60 ASN 0.91 -1.43 1 62 THR -4.35 2.08 1 63 ILE -1.74 0.67 1 64 ASP -2.87 0.84 1 65 PHE 2.80 -0.68 1 67 GLU 3.50 0.01 1 68 PHE 4.62 -1.78 1 69 LEU 6.22 -1.47 1 70 THR 3.32 0.22 1 71 MET 2.50 -2.13 1 72 MET 3.27 -1.34 1 73 ALA 3.16 -1.06 1 74 ARG 1.94 -1.00 1 75 LYS 1.36 -0.23 1 76 MET 0.81 -0.48 1 77 LYS 0.58 -0.20 1 78 ASP 0.47 -0.11 1 79 THR 0.45 -0.04 1 80 ASP 0.86 -0.14 1 81 SER 2.89 -0.70 1 82 GLU 3.81 -0.93 1 83 GLU 3.40 -0.70 1 84 GLU 5.19 -1.59 1 85 ILE 5.45 -1.41 1 86 ARG 3.43 -1.06 1 87 GLU 4.37 -1.85 1 88 ALA 5.30 -0.90 1 89 PHE 3.86 -1.08 1 90 ARG 5.03 -1.64 1 91 VAL 1.93 0.28 1 93 ASP 3.51 -0.79 1 94 LYS 0.56 -1.76 1 95 ASP 0.53 -0.96 1 99 TYR -0.42 -0.41 1 100 ILE -5.00 2.54 1 101 SER 5.01 -1.59 1 102 ALA 3.77 -1.19 1 103 ALA 3.65 -0.98 1 104 GLU 3.86 -0.73 1 105 LEU 4.64 -0.83 1 106 ARG 3.21 1.26 1 107 HIS 5.17 -1.41 1 108 VAL 4.02 -1.88 1 109 MET 4.61 -0.80 1 110 THR 3.07 -0.59 1 111 ASN 0.95 -0.70 1 112 LEU -1.41 0.21 1 114 GLU 0.96 -1.46 1 115 LYS -2.81 1.87 1 116 LEU -2.46 1.40 1 117 THR 5.37 -1.55 1 118 ASP 4.41 -1.14 1 119 GLU 2.41 0.19 1 120 GLU 6.56 -1.88 1 121 VAL 4.23 -0.79 1 122 ASP 3.47 -0.87 1 123 GLU 3.94 0.06 1 124 MET 5.39 -2.52 1 125 ILE 4.81 -1.14 1 126 ARG 2.44 -0.65 1 127 GLU -2.03 1.56 1 128 ALA 0.85 -1.04 1 129 ASP 2.61 -0.40 1 130 ILE 0.99 -1.42 1 131 ASP 0.56 -1.13 1 133 ASP -5.14 2.56 1 135 GLN -0.93 0.41 1 136 VAL -1.09 -0.87 1 137 ASN 6.42 -1.52 1 138 TYR 5.08 -1.33 1 139 GLU 2.26 -0.42 1 140 GLU 4.02 -0.17 1 141 PHE 6.51 -1.70 1 142 VAL 4.69 -1.60 1 143 GLN 2.82 0.12 1 144 MET 1.04 -1.16 1 145 MET 0.41 0.36 1 146 THR 0.80 -0.52 1 147 ALA 1.15 0.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6541_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 0.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 GLN -0.93 1.06 0 16 PHE 4.70 -1.41 0 88 ALA 5.30 -1.50 0 10 ALA 4.58 -0.22 1 11 GLU 3.81 -0.22 1 12 PHE 3.66 0.38 1 13 LYS 5.53 -0.31 1 14 GLU 3.85 -0.23 1 15 ALA 4.21 -0.06 1 17 SER 3.89 -0.35 1 18 LEU 3.35 -0.36 1 19 PHE 0.62 -0.40 1 20 ASP 0.64 -0.11 1 21 LYS 3.11 -0.37 1 22 ASP 0.36 -0.07 1 24 ASP 0.47 -0.15 1 26 THR -4.70 0.92 1 27 ILE -1.22 0.78 1 28 THR -4.72 0.46 1 29 THR 6.60 -0.58 1 30 LYS 3.99 -0.21 1 31 GLU 3.14 -0.32 1 32 LEU 3.12 -0.26 1 34 THR 6.23 -0.43 1 35 VAL 5.96 -0.64 1 36 MET 5.46 -0.40 1 37 ARG 4.27 0.44 1 38 SER 4.48 -0.09 1 39 LEU 0.25 0.13 1 41 GLN -2.03 0.12 1 42 ASN -0.40 0.11 1 44 THR -2.59 0.08 1 45 GLU 4.64 -0.39 1 46 ALA 3.82 -0.24 1 47 GLU 2.88 -0.34 1 48 LEU 3.21 -0.28 1 49 GLN 4.41 -0.52 1 50 ASP 4.31 -0.24 1 51 MET 3.87 -0.46 1 52 ILE 5.47 -0.68 1 53 ASN 3.87 -0.37 1 54 GLU 2.11 -0.33 1 55 VAL -0.95 0.33 1 56 ASP 0.81 -0.02 1 57 ALA 1.78 -0.14 1 58 ASP 0.01 -0.02 1 60 ASN 0.91 -0.12 1 62 THR -4.35 0.39 1 63 ILE -1.74 0.99 1 64 ASP -2.87 0.70 1 65 PHE 2.80 -0.26 1 67 GLU 3.50 -0.68 1 68 PHE 4.62 -1.01 1 69 LEU 6.22 -0.62 1 70 THR 3.32 -0.74 1 71 MET 2.50 -0.50 1 72 MET 3.27 -0.26 1 73 ALA 3.16 -0.28 1 74 ARG 1.94 -0.12 1 75 LYS 1.36 -0.15 1 76 MET 0.81 -0.02 1 77 LYS 0.58 0.03 1 78 ASP 0.47 -0.04 1 79 THR 0.45 0.05 1 80 ASP 0.86 -0.01 1 81 SER 2.89 -0.22 1 82 GLU 3.81 -0.31 1 83 GLU 3.40 -0.21 1 84 GLU 5.19 -0.17 1 85 ILE 5.45 -0.19 1 86 ARG 3.43 -0.23 1 87 GLU 4.37 -0.14 1 89 PHE 3.86 -0.47 1 90 ARG 5.03 -0.62 1 91 VAL 1.93 -0.40 1 92 PHE 1.17 -0.12 1 93 ASP 3.51 -0.43 1 94 LYS 0.56 -0.10 1 95 ASP 0.53 -0.11 1 97 ASN -5.83 0.48 1 99 TYR -0.42 0.65 1 100 ILE -5.00 0.36 1 101 SER 5.01 -0.42 1 102 ALA 3.77 -0.30 1 103 ALA 3.65 -0.31 1 104 GLU 3.86 -0.25 1 105 LEU 4.64 -0.55 1 106 ARG 3.21 -0.42 1 107 HIS 5.17 -0.63 1 108 VAL 4.02 -0.15 1 109 MET 4.61 -0.17 1 110 THR 3.07 -0.24 1 111 ASN 0.95 -0.04 1 112 LEU -1.41 0.04 1 114 GLU 0.96 0.03 1 115 LYS -2.81 0.39 1 116 LEU -2.46 0.11 1 117 THR 5.37 -0.44 1 118 ASP 4.41 -0.27 1 119 GLU 2.41 -0.35 1 120 GLU 6.56 -0.52 1 121 VAL 4.23 -0.32 1 122 ASP 3.47 -0.37 1 123 GLU 3.94 -0.47 1 124 MET 5.39 -0.68 1 125 ILE 4.81 -0.34 1 126 ARG 2.44 -0.37 1 127 GLU -2.03 0.07 1 128 ALA 0.85 -0.14 1 129 ASP 2.61 -0.26 1 130 ILE 0.99 -0.10 1 131 ASP 0.56 -0.18 1 133 ASP -5.14 0.49 1 136 VAL -1.09 0.46 1 137 ASN 6.42 -1.13 1 138 TYR 5.08 -0.71 1 139 GLU 2.26 -0.34 1 140 GLU 4.02 -0.64 1 141 PHE 6.51 -1.00 1 142 VAL 4.69 -0.46 1 143 GLN 2.82 -0.40 1 144 MET 1.04 -0.20 1 145 MET 0.41 -0.06 1 146 THR 0.80 -0.03 1 147 ALA 1.15 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6541_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 -1.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 2.75 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 ASN -0.40 -4.29 0 10 ALA 4.58 3.19 1 11 GLU 3.81 3.85 1 12 PHE 3.66 2.94 1 13 LYS 5.53 2.75 1 14 GLU 3.85 2.86 1 15 ALA 4.21 1.24 1 16 PHE 4.70 1.55 1 17 SER 3.89 0.39 1 18 LEU 3.35 0.37 1 19 PHE 0.62 0.92 1 20 ASP 0.64 0.88 1 21 LYS 3.11 1.56 1 22 ASP 0.36 1.42 1 24 ASP 0.47 1.19 1 26 THR -4.70 -1.74 1 27 ILE -1.22 -0.29 1 28 THR -4.72 1.93 1 29 THR 6.60 2.52 1 30 LYS 3.99 3.29 1 31 GLU 3.14 2.50 1 32 LEU 3.12 1.40 1 34 THR 6.23 2.40 1 35 VAL 5.96 2.86 1 36 MET 5.46 2.83 1 37 ARG 4.27 4.88 1 38 SER 4.48 0.15 1 39 LEU 0.25 -0.11 1 41 GLN -2.03 -1.83 1 44 THR -2.59 0.54 1 45 GLU 4.64 2.40 1 46 ALA 3.82 2.45 1 47 GLU 2.88 3.51 1 48 LEU 3.21 0.94 1 49 GLN 4.41 2.53 1 50 ASP 4.31 2.30 1 51 MET 3.87 2.59 1 52 ILE 5.47 1.38 1 53 ASN 3.87 2.23 1 54 GLU 2.11 1.00 1 55 VAL -0.95 -0.49 1 56 ASP 0.81 -0.03 1 57 ALA 1.78 0.86 1 58 ASP 0.01 1.57 1 60 ASN 0.91 1.68 1 62 THR -4.35 -1.46 1 63 ILE -1.74 -0.83 1 64 ASP -2.87 0.08 1 65 PHE 2.80 2.22 1 67 GLU 3.50 1.27 1 68 PHE 4.62 1.45 1 69 LEU 6.22 1.26 1 70 THR 3.32 1.85 1 71 MET 2.50 2.23 1 72 MET 3.27 1.82 1 73 ALA 3.16 1.44 1 74 ARG 1.94 1.01 1 75 LYS 1.36 0.14 1 76 MET 0.81 -0.19 1 77 LYS 0.58 0.29 1 78 ASP 0.47 -0.15 1 79 THR 0.45 0.35 1 80 ASP 0.86 0.81 1 81 SER 2.89 1.32 1 82 GLU 3.81 2.06 1 83 GLU 3.40 3.00 1 84 GLU 5.19 1.52 1 85 ILE 5.45 3.04 1 86 ARG 3.43 1.97 1 87 GLU 4.37 1.42 1 88 ALA 5.30 0.68 1 89 PHE 3.86 1.92 1 90 ARG 5.03 1.10 1 91 VAL 1.93 1.20 1 92 PHE 1.17 1.19 1 93 ASP 3.51 1.70 1 94 LYS 0.56 1.43 1 95 ASP 0.53 0.89 1 97 ASN -5.83 -1.31 1 99 TYR -0.42 -0.82 1 100 ILE -5.00 0.68 1 101 SER 5.01 1.55 1 102 ALA 3.77 3.54 1 103 ALA 3.65 2.69 1 104 GLU 3.86 0.93 1 105 LEU 4.64 2.36 1 106 ARG 3.21 3.31 1 107 HIS 5.17 1.71 1 108 VAL 4.02 2.29 1 109 MET 4.61 2.75 1 110 THR 3.07 1.03 1 111 ASN 0.95 -0.23 1 112 LEU -1.41 -1.03 1 114 GLU 0.96 -0.93 1 115 LYS -2.81 0.36 1 116 LEU -2.46 0.83 1 117 THR 5.37 2.29 1 118 ASP 4.41 2.58 1 119 GLU 2.41 3.36 1 120 GLU 6.56 0.96 1 121 VAL 4.23 2.87 1 122 ASP 3.47 1.38 1 123 GLU 3.94 2.98 1 124 MET 5.39 0.74 1 125 ILE 4.81 3.11 1 126 ARG 2.44 0.70 1 127 GLU -2.03 -0.02 1 128 ALA 0.85 -0.18 1 129 ASP 2.61 1.48 1 130 ILE 0.99 2.01 1 131 ASP 0.56 1.34 1 133 ASP -5.14 -1.25 1 135 GLN -0.93 -0.42 1 136 VAL -1.09 -0.27 1 137 ASN 6.42 0.21 1 138 TYR 5.08 3.99 1 139 GLU 2.26 2.76 1 140 GLU 4.02 1.03 1 141 PHE 6.51 3.23 1 142 VAL 4.69 1.90 1 143 GLN 2.82 1.65 1 144 MET 1.04 1.20 1 145 MET 0.41 -0.43 1 146 THR 0.80 -1.14 1 147 ALA 1.15 2.32 1 stop_ save_