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 bmr19709_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 5.27 _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 66 VAL 0.43 -2.29 0 44 HIS -3.81 1.64 0 10 HIS 0.31 1.04 1 11 MET 0.53 0.22 1 12 GLN 0.20 0.23 1 13 GLU -0.58 -0.32 1 14 LEU -0.39 -0.41 1 16 ASP 0.04 0.02 1 17 SER 0.50 0.43 1 19 ALA -0.58 -0.30 1 20 LEU -1.05 -0.17 1 21 MET -0.56 -1.16 1 22 LEU 0.18 -1.21 1 23 VAL -0.03 -0.72 1 25 ASN 1.09 0.55 1 26 ARG -0.50 -1.47 1 27 GLN 0.12 0.26 1 28 LEU -2.54 -0.99 1 29 THR -2.55 -1.61 1 30 ALA 4.56 3.10 1 31 ASP 3.12 2.78 1 32 TYR 3.37 3.35 1 33 PHE 5.25 4.95 1 34 GLU 3.83 3.49 1 35 LYS 3.74 2.88 1 36 THR 7.06 4.73 1 37 TRP 4.14 3.62 1 38 LEU 1.94 1.56 1 39 SER 0.19 0.75 1 40 LEU -5.33 -2.00 1 41 LYS -1.74 -1.63 1 42 VAL 3.64 2.70 1 43 ALA -1.46 0.01 1 45 GLN -5.02 -1.44 1 46 GLN -5.27 -1.12 1 47 VAL -2.89 -1.80 1 48 LEU -4.27 -1.36 1 50 TRP -1.68 -0.52 1 51 ARG -1.21 -0.73 1 53 GLU -1.07 -0.46 1 54 PHE -1.23 -0.69 1 55 HIS -1.62 -0.74 1 57 ASP 4.74 2.77 1 58 THR 5.13 3.68 1 59 LEU 4.18 2.96 1 60 GLN 5.71 4.38 1 61 MET 3.63 2.99 1 62 ALA 3.01 2.40 1 63 LEU 3.27 1.71 1 64 GLN 4.26 3.31 1 65 VAL 4.56 3.38 1 67 ASN 5.24 1.83 1 68 ILE 1.52 0.70 1 69 GLN -1.36 -0.95 1 70 THR 2.86 1.42 1 71 ILE 1.60 -0.35 1 72 ALA -4.13 -0.97 1 73 MET -3.61 -0.13 1 74 SER 1.12 0.78 1 75 ARG 0.44 0.20 1 76 ALA 2.61 1.64 1 78 SER 0.58 1.02 1 79 ARG -3.85 -1.48 1 81 TRP -0.44 0.55 1 82 LYS -6.48 -2.53 1 83 ALA -7.31 -2.45 1 84 TYR -3.32 -2.27 1 85 LEU -5.28 -2.91 1 86 SER -4.80 -0.95 1 87 ALA -7.43 -1.33 1 88 GLN -5.77 -1.57 1 89 ASP -4.15 -2.00 1 90 ASP 2.60 1.56 1 91 THR -0.28 -0.01 1 94 LEU -4.17 -1.61 1 95 PHE -2.41 -1.50 1 96 LEU -2.67 -0.86 1 97 THR -2.45 0.35 1 98 GLU -7.68 -2.38 1 99 LEU -2.97 -2.07 1 100 LEU -4.80 -0.87 1 101 LEU -4.12 -1.22 1 102 GLU -0.40 -0.12 1 105 ASN -0.80 -0.56 1 106 SER 0.77 0.02 1 107 GLU -4.47 -1.60 1 108 MET -4.64 -1.52 1 109 GLN -2.51 -0.46 1 110 ILE -2.52 -0.70 1 111 SER -2.15 -0.67 1 112 VAL -4.44 -1.43 1 113 LYS -3.71 -0.76 1 114 GLN -5.64 -2.53 1 115 ASN 2.65 1.69 1 116 GLU -2.70 -1.74 1 117 ALA 1.25 0.30 1 118 ARG -0.03 -0.22 1 119 THR 5.03 4.17 1 120 GLU 4.60 3.49 1 121 THR 3.58 2.07 1 122 LEU 5.22 3.60 1 123 ASN 4.41 2.86 1 124 SER 4.44 3.48 1 125 PHE 5.29 4.44 1 126 ILE 5.44 3.29 1 127 SER 4.53 3.43 1 128 VAL 6.28 4.57 1 129 LEU 3.49 2.91 1 130 GLU 3.57 3.14 1 131 THR 6.28 4.81 1 132 VAL 5.77 4.38 1 133 ILE 5.30 4.12 1 135 THR 1.81 1.71 1 136 ILE 1.77 0.37 1 137 GLU 0.45 0.38 1 138 GLU -0.58 -0.31 1 139 ILE 0.84 0.10 1 140 LYS -0.25 -0.42 1 141 SER 0.49 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19709_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 5.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _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 66 VAL 0.43 -2.72 0 44 HIS -3.81 5.45 0 10 HIS 0.31 0.73 1 11 MET 0.53 -0.31 1 12 GLN 0.20 0.03 1 13 GLU -0.58 0.26 1 14 LEU -0.39 -0.02 1 16 ASP 0.04 -0.02 1 17 SER 0.50 -0.07 1 19 ALA -0.58 0.28 1 20 LEU -1.05 0.88 1 21 MET -0.56 -0.60 1 22 LEU 0.18 -1.39 1 23 VAL -0.03 -0.69 1 25 ASN 1.09 -0.54 1 26 ARG -0.50 -0.97 1 27 GLN 0.12 0.14 1 28 LEU -2.54 1.55 1 29 THR -2.55 0.94 1 30 ALA 4.56 -1.46 1 31 ASP 3.12 -0.34 1 32 TYR 3.37 -0.02 1 33 PHE 5.25 -0.30 1 34 GLU 3.83 -0.34 1 35 LYS 3.74 -0.86 1 36 THR 7.06 -2.33 1 37 TRP 4.14 -0.52 1 38 LEU 1.94 -0.38 1 39 SER 0.19 0.56 1 40 LEU -5.33 3.33 1 41 LYS -1.74 0.11 1 42 VAL 3.64 -0.94 1 43 ALA -1.46 1.47 1 45 GLN -5.02 3.58 1 46 GLN -5.27 4.15 1 47 VAL -2.89 1.09 1 48 LEU -4.27 2.91 1 50 TRP -1.68 1.16 1 51 ARG -1.21 0.48 1 53 GLU -1.07 0.61 1 54 PHE -1.23 0.54 1 55 HIS -1.62 0.88 1 57 ASP 4.74 -1.97 1 58 THR 5.13 -1.45 1 59 LEU 4.18 -1.22 1 60 GLN 5.71 -1.33 1 61 MET 3.63 -0.64 1 62 ALA 3.01 -0.61 1 63 LEU 3.27 -1.56 1 64 GLN 4.26 -0.95 1 65 VAL 4.56 -1.18 1 67 ASN 5.24 -3.41 1 68 ILE 1.52 -0.82 1 69 GLN -1.36 0.41 1 70 THR 2.86 -1.44 1 71 ILE 1.60 -1.95 1 72 ALA -4.13 3.16 1 73 MET -3.61 3.48 1 74 SER 1.12 -0.34 1 75 ARG 0.44 -0.24 1 76 ALA 2.61 -0.97 1 78 SER 0.58 0.44 1 79 ARG -3.85 2.37 1 81 TRP -0.44 0.99 1 82 LYS -6.48 3.95 1 83 ALA -7.31 4.86 1 84 TYR -3.32 1.05 1 85 LEU -5.28 2.37 1 86 SER -4.80 3.85 1 87 ALA -7.43 6.10 1 88 GLN -5.77 4.20 1 89 ASP -4.15 2.15 1 90 ASP 2.60 -1.04 1 91 THR -0.28 0.27 1 94 LEU -4.17 2.56 1 95 PHE -2.41 0.91 1 96 LEU -2.67 1.81 1 97 THR -2.45 2.80 1 98 GLU -7.68 5.30 1 99 LEU -2.97 0.90 1 100 LEU -4.80 3.93 1 101 LEU -4.12 2.90 1 102 GLU -0.40 0.28 1 105 ASN -0.80 0.24 1 106 SER 0.77 -0.75 1 107 GLU -4.47 2.87 1 108 MET -4.64 3.12 1 109 GLN -2.51 2.05 1 110 ILE -2.52 1.82 1 111 SER -2.15 1.48 1 112 VAL -4.44 3.01 1 113 LYS -3.71 2.95 1 114 GLN -5.64 3.11 1 115 ASN 2.65 -0.96 1 116 GLU -2.70 0.96 1 117 ALA 1.25 -0.95 1 118 ARG -0.03 -0.19 1 119 THR 5.03 -0.86 1 120 GLU 4.60 -1.11 1 121 THR 3.58 -1.51 1 122 LEU 5.22 -1.62 1 123 ASN 4.41 -1.55 1 124 SER 4.44 -0.96 1 125 PHE 5.29 -0.85 1 126 ILE 5.44 -2.15 1 127 SER 4.53 -1.10 1 128 VAL 6.28 -1.71 1 129 LEU 3.49 -0.58 1 130 GLU 3.57 -0.43 1 131 THR 6.28 -1.47 1 132 VAL 5.77 -1.39 1 133 ILE 5.30 -1.18 1 135 THR 1.81 -0.10 1 136 ILE 1.77 -1.40 1 137 GLU 0.45 -0.07 1 138 GLU -0.58 0.27 1 139 ILE 0.84 -0.74 1 140 LYS -0.25 -0.17 1 141 SER 0.49 0.94 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19709_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 7.06 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 97 THR -2.45 1.66 0 10 HIS 0.31 -0.08 1 11 MET 0.53 -0.09 1 12 GLN 0.20 -0.05 1 13 GLU -0.58 -0.07 1 14 LEU -0.39 -0.06 1 16 ASP 0.04 -0.05 1 17 SER 0.50 -0.08 1 19 ALA -0.58 -0.06 1 20 LEU -1.05 0.07 1 21 MET -0.56 0.19 1 22 LEU 0.18 0.61 1 23 VAL -0.03 0.16 1 25 ASN 1.09 -0.21 1 26 ARG -0.50 0.13 1 27 GLN 0.12 -0.07 1 28 LEU -2.54 0.31 1 29 THR -2.55 0.17 1 30 ALA 4.56 -0.36 1 31 ASP 3.12 -0.23 1 32 TYR 3.37 -0.39 1 33 PHE 5.25 -1.00 1 34 GLU 3.83 -0.54 1 35 LYS 3.74 -0.40 1 36 THR 7.06 -0.77 1 37 TRP 4.14 -1.12 1 38 LEU 1.94 -0.35 1 39 SER 0.19 -0.11 1 40 LEU -5.33 0.30 1 41 LYS -1.74 0.01 1 42 VAL 3.64 -0.66 1 43 ALA -1.46 0.28 1 44 HIS -3.81 0.04 1 45 GLN -5.02 1.23 1 46 GLN -5.27 0.40 1 47 VAL -2.89 1.09 1 48 LEU -4.27 0.37 1 50 TRP -1.68 -0.08 1 51 ARG -1.21 0.03 1 53 GLU -1.07 -0.13 1 54 PHE -1.23 0.01 1 55 HIS -1.62 -0.14 1 57 ASP 4.74 -0.23 1 58 THR 5.13 -0.33 1 59 LEU 4.18 -0.25 1 60 GLN 5.71 -0.46 1 61 MET 3.63 -0.24 1 62 ALA 3.01 -0.17 1 63 LEU 3.27 -0.30 1 64 GLN 4.26 -0.28 1 65 VAL 4.56 -0.25 1 66 VAL 0.43 0.40 1 67 ASN 5.24 -0.44 1 68 ILE 1.52 0.39 1 69 GLN -1.36 0.09 1 70 THR 2.86 0.09 1 71 ILE 1.60 -0.31 1 72 ALA -4.13 0.14 1 73 MET -3.61 0.22 1 74 SER 1.12 -0.22 1 75 ARG 0.44 -0.02 1 76 ALA 2.61 -0.06 1 78 SER 0.58 0.00 1 79 ARG -3.85 0.05 1 81 TRP -0.44 -0.30 1 82 LYS -6.48 0.84 1 83 ALA -7.31 0.20 1 84 TYR -3.32 0.73 1 85 LEU -5.28 1.38 1 86 SER -4.80 1.24 1 87 ALA -7.43 0.66 1 88 GLN -5.77 1.46 1 89 ASP -4.15 1.14 1 90 ASP 2.60 -0.27 1 91 THR -0.28 0.23 1 94 LEU -4.17 0.57 1 95 PHE -2.41 0.27 1 96 LEU -2.67 1.27 1 98 GLU -7.68 0.70 1 99 LEU -2.97 0.92 1 100 LEU -4.80 0.97 1 101 LEU -4.12 0.64 1 102 GLU -0.40 0.14 1 105 ASN -0.80 0.05 1 106 SER 0.77 0.07 1 107 GLU -4.47 0.57 1 108 MET -4.64 0.56 1 109 GLN -2.51 0.63 1 110 ILE -2.52 0.88 1 111 SER -2.15 1.21 1 112 VAL -4.44 1.45 1 113 LYS -3.71 0.37 1 114 GLN -5.64 0.93 1 115 ASN 2.65 -0.33 1 116 GLU -2.70 0.02 1 117 ALA 1.25 -0.25 1 118 ARG -0.03 0.23 1 119 THR 5.03 -0.36 1 120 GLU 4.60 -0.13 1 121 THR 3.58 -0.04 1 122 LEU 5.22 -0.10 1 123 ASN 4.41 -0.40 1 124 SER 4.44 -0.20 1 125 PHE 5.29 -0.89 1 126 ILE 5.44 -0.99 1 127 SER 4.53 -0.20 1 128 VAL 6.28 -0.56 1 129 LEU 3.49 -0.80 1 130 GLU 3.57 -0.66 1 131 THR 6.28 -0.41 1 132 VAL 5.77 -0.48 1 133 ILE 5.30 -0.61 1 135 THR 1.81 -0.04 1 136 ILE 1.77 -0.07 1 137 GLU 0.45 -0.37 1 138 GLU -0.58 -0.14 1 139 ILE 0.84 -0.11 1 140 LYS -0.25 0.10 1 141 SER 0.49 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19709_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _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 7.06 _LACS_plot.Line_2_terminator_val_y_2 2.30 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 ASN 5.24 -1.61 0 89 ASP -4.15 1.91 0 141 SER 0.49 4.02 0 10 HIS 0.31 0.84 1 11 MET 0.53 -0.43 1 12 GLN 0.20 -0.46 1 13 GLU -0.58 -0.61 1 14 LEU -0.39 -0.48 1 16 ASP 0.04 0.22 1 17 SER 0.50 0.56 1 19 ALA -0.58 -0.83 1 20 LEU -1.05 -2.23 1 21 MET -0.56 -1.79 1 22 LEU 0.18 0.34 1 25 ASN 1.09 -0.56 1 26 ARG -0.50 -0.68 1 27 GLN 0.12 -0.37 1 28 LEU -2.54 -0.24 1 29 THR -2.55 0.86 1 30 ALA 4.56 1.84 1 31 ASP 3.12 1.70 1 32 TYR 3.37 3.48 1 33 PHE 5.25 0.38 1 34 GLU 3.83 1.46 1 35 LYS 3.74 2.76 1 36 THR 7.06 1.59 1 37 TRP 4.14 2.15 1 38 LEU 1.94 0.55 1 39 SER 0.19 -1.24 1 40 LEU -5.33 -1.27 1 41 LYS -1.74 0.05 1 42 VAL 3.64 -1.06 1 43 ALA -1.46 -0.38 1 44 HIS -3.81 -1.61 1 45 GLN -5.02 -2.37 1 46 GLN -5.27 -2.96 1 47 VAL -2.89 -0.52 1 48 LEU -4.27 -2.06 1 50 TRP -1.68 -0.89 1 51 ARG -1.21 -0.61 1 53 GLU -1.07 -0.57 1 54 PHE -1.23 -1.86 1 57 ASP 4.74 2.44 1 58 THR 5.13 2.19 1 59 LEU 4.18 -0.61 1 60 GLN 5.71 3.36 1 61 MET 3.63 1.44 1 62 ALA 3.01 2.54 1 63 LEU 3.27 0.99 1 64 GLN 4.26 4.15 1 65 VAL 4.56 0.99 1 66 VAL 0.43 -2.00 1 68 ILE 1.52 -1.63 1 69 GLN -1.36 0.28 1 70 THR 2.86 -0.02 1 71 ILE 1.60 -0.50 1 72 ALA -4.13 -2.77 1 73 MET -3.61 -1.38 1 74 SER 1.12 -1.30 1 75 ARG 0.44 1.33 1 76 ALA 2.61 0.92 1 78 SER 0.58 -1.15 1 79 ARG -3.85 -0.31 1 81 TRP -0.44 -1.80 1 82 LYS -6.48 -2.60 1 83 ALA -7.31 -3.24 1 84 TYR -3.32 -1.17 1 85 LEU -5.28 -0.78 1 86 SER -4.80 -2.97 1 87 ALA -7.43 -3.37 1 88 GLN -5.77 -1.28 1 90 ASP 2.60 0.71 1 91 THR -0.28 0.76 1 94 LEU -4.17 -2.87 1 95 PHE -2.41 -0.24 1 96 LEU -2.67 -1.61 1 97 THR -2.45 -2.11 1 98 GLU -7.68 -1.25 1 99 LEU -2.97 -2.32 1 100 LEU -4.80 -2.58 1 101 LEU -4.12 -2.02 1 102 GLU -0.40 -0.19 1 105 ASN -0.80 -0.34 1 106 SER 0.77 -0.41 1 107 GLU -4.47 -2.83 1 108 MET -4.64 -2.06 1 109 GLN -2.51 -0.83 1 110 ILE -2.52 -0.91 1 111 SER -2.15 -1.62 1 112 VAL -4.44 -1.44 1 113 LYS -3.71 -3.10 1 114 GLN -5.64 -1.12 1 115 ASN 2.65 -1.00 1 116 GLU -2.70 -1.85 1 117 ALA 1.25 -0.25 1 118 ARG -0.03 0.10 1 119 THR 5.03 1.22 1 120 GLU 4.60 2.53 1 121 THR 3.58 2.02 1 122 LEU 5.22 0.52 1 123 ASN 4.41 3.50 1 124 SER 4.44 1.24 1 125 PHE 5.29 0.44 1 126 ILE 5.44 0.98 1 127 SER 4.53 2.76 1 128 VAL 6.28 1.48 1 129 LEU 3.49 0.84 1 130 GLU 3.57 3.25 1 131 THR 6.28 1.89 1 132 VAL 5.77 2.25 1 133 ILE 5.30 1.08 1 135 THR 1.81 0.88 1 136 ILE 1.77 0.08 1 137 GLU 0.45 -0.44 1 138 GLU -0.58 -0.35 1 139 ILE 0.84 -0.37 1 140 LYS -0.25 -0.97 1 stop_ save_