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 bmr17148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 -4.03 _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 -1.25 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 7.18 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 LYS -5.80 2.27 0 104 ASP -1.89 5.30 0 68 LYS -9.71 -0.62 0 11 GLN 0.07 0.03 1 12 ASN 2.54 1.78 1 15 TRP -5.19 -4.86 1 16 SER 2.30 1.81 1 17 SER -3.10 -1.14 1 18 THR 5.92 5.03 1 19 GLU 4.31 3.50 1 20 LEU 3.66 2.33 1 21 ALA 4.07 3.87 1 22 ASP 2.43 3.17 1 23 ALA 3.84 2.94 1 24 PHE 4.23 4.37 1 25 ILE 5.56 3.47 1 26 ASN 4.22 3.98 1 27 ALA 4.02 2.65 1 28 PHE 4.58 3.44 1 29 MET 3.55 1.19 1 30 ASN 3.44 3.07 1 31 GLU 3.23 1.88 1 32 ALA 5.39 2.99 1 34 ARG 2.01 1.98 1 35 THR 1.42 2.78 1 37 ALA 0.35 0.03 1 38 PHE -3.98 -1.72 1 39 THR -2.20 -1.27 1 40 ALA 4.29 3.27 1 41 ASP 3.69 2.96 1 42 GLN 3.89 3.03 1 43 LEU 4.45 3.03 1 44 ASP 4.13 3.54 1 45 ASP 4.20 3.41 1 46 MET 2.83 3.82 1 48 THR 2.49 1.97 1 49 ILE 9.16 2.63 1 51 ASP 3.62 3.37 1 52 THR 6.20 4.87 1 53 ILE 3.79 0.89 1 54 LYS 5.58 4.42 1 55 THR 5.84 4.71 1 56 ALA 4.31 2.92 1 57 MET 4.36 4.64 1 58 ASP 3.29 3.38 1 59 LYS 3.80 3.07 1 60 MET 2.09 2.23 1 61 ALA 2.99 2.24 1 62 ARG 0.70 0.19 1 63 SER -0.67 -1.70 1 64 ASN 0.59 -0.17 1 65 LYS -0.50 0.71 1 66 SER 1.28 0.96 1 71 LEU 4.18 3.19 1 72 GLN 3.88 2.87 1 73 ALA 5.04 2.75 1 74 LEU 5.34 3.27 1 75 ASN 4.40 3.99 1 76 MET 4.42 2.58 1 77 ALA 3.60 3.93 1 78 PHE 0.80 2.94 1 79 ALA 4.83 3.90 1 80 SER 1.76 4.97 1 81 SER 0.88 0.91 1 82 MET 2.64 2.86 1 83 ALA 2.55 2.26 1 84 GLU 2.14 2.04 1 85 ILE 1.89 1.52 1 86 ALA 0.41 0.38 1 87 ALA 1.26 0.93 1 88 VAL 0.12 0.29 1 89 GLU -0.00 0.44 1 90 GLN -0.62 -0.04 1 93 LEU -0.97 -0.02 1 94 SER 4.90 3.91 1 95 VAL 3.28 2.93 1 96 ASP 3.08 2.65 1 97 ALA 4.40 4.33 1 98 LYS 7.95 5.96 1 99 THR 4.25 3.06 1 100 ASN 3.54 3.01 1 101 ALA 5.76 5.01 1 102 ILE 4.75 3.85 1 103 ALA 4.33 3.52 1 105 SER 1.87 3.15 1 106 LEU 3.97 3.90 1 107 ASN 4.30 3.36 1 108 SER 4.05 3.03 1 109 ALA 8.34 6.93 1 110 PHE 5.76 4.98 1 111 TYR 2.57 2.96 1 112 GLN 0.91 1.59 1 113 THR -1.54 0.35 1 114 THR -4.41 -1.50 1 116 ALA -0.79 1.18 1 117 ALA 5.43 3.93 1 120 GLN 2.79 2.93 1 121 PHE 6.93 5.71 1 122 VAL 4.17 3.11 1 123 ASN 3.63 3.02 1 124 GLU 5.73 1.62 1 125 ILE 5.41 4.83 1 126 ARG -0.26 -1.46 1 127 SER 1.98 2.74 1 128 LEU 6.91 5.68 1 129 ILE 3.58 3.09 1 130 ASN 4.34 3.53 1 131 MET 3.34 2.82 1 132 PHE 2.04 1.79 1 133 ALA 1.30 1.10 1 134 GLN 1.00 0.90 1 135 SER 0.73 0.62 1 136 SER 0.36 0.38 1 137 ALA 0.00 0.24 1 138 ASN -0.38 0.04 1 139 GLU 0.14 0.06 1 140 VAL -0.41 -0.37 1 141 SER 0.06 0.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 5.68 _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 0.75 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 LYS -5.80 8.07 0 104 ASP -1.89 7.19 0 68 LYS -9.71 9.09 0 11 GLN 0.07 -0.04 1 12 ASN 2.54 -0.76 1 15 TRP -5.19 0.33 1 16 SER 2.30 -0.49 1 17 SER -3.10 1.96 1 18 THR 5.92 -0.89 1 19 GLU 4.31 -0.81 1 20 LEU 3.66 -1.33 1 21 ALA 4.07 -0.20 1 22 ASP 2.43 0.74 1 23 ALA 3.84 -0.90 1 24 PHE 4.23 0.14 1 25 ILE 5.56 -2.09 1 26 ASN 4.22 -0.24 1 27 ALA 4.02 -1.37 1 28 PHE 4.58 -1.14 1 29 MET 3.55 -2.36 1 30 ASN 3.44 -0.37 1 31 GLU 3.23 -1.35 1 32 ALA 5.39 -2.40 1 34 ARG 2.01 -0.03 1 35 THR 1.42 1.36 1 37 ALA 0.35 -0.32 1 38 PHE -3.98 2.26 1 39 THR -2.20 0.93 1 40 ALA 4.29 -1.02 1 41 ASP 3.69 -0.73 1 42 GLN 3.89 -0.86 1 43 LEU 4.45 -1.42 1 44 ASP 4.13 -0.59 1 45 ASP 4.20 -0.79 1 46 MET 2.83 0.99 1 48 THR 2.49 -0.52 1 49 ILE 9.16 -6.53 1 51 ASP 3.62 -0.25 1 52 THR 6.20 -1.33 1 53 ILE 3.79 -2.90 1 54 LYS 5.58 -1.16 1 55 THR 5.84 -1.13 1 56 ALA 4.31 -1.39 1 57 MET 4.36 0.28 1 58 ASP 3.29 0.09 1 59 LYS 3.80 -0.73 1 60 MET 2.09 0.14 1 61 ALA 2.99 -0.75 1 62 ARG 0.70 -0.51 1 63 SER -0.67 -1.03 1 64 ASN 0.59 -0.76 1 65 LYS -0.50 1.21 1 66 SER 1.28 -0.32 1 71 LEU 4.18 -0.99 1 72 GLN 3.88 -1.01 1 73 ALA 5.04 -2.29 1 74 LEU 5.34 -2.07 1 75 ASN 4.40 -0.41 1 76 MET 4.42 -1.84 1 77 ALA 3.60 0.33 1 78 PHE 0.80 2.14 1 79 ALA 4.83 -0.93 1 80 SER 1.76 3.21 1 81 SER 0.88 0.03 1 82 MET 2.64 0.22 1 83 ALA 2.55 -0.29 1 84 GLU 2.14 -0.10 1 85 ILE 1.89 -0.37 1 86 ALA 0.41 -0.03 1 87 ALA 1.26 -0.33 1 88 VAL 0.12 0.17 1 89 GLU -0.00 0.44 1 90 GLN -0.62 0.58 1 93 LEU -0.97 0.95 1 94 SER 4.90 -0.99 1 95 VAL 3.28 -0.35 1 96 ASP 3.08 -0.43 1 97 ALA 4.40 -0.07 1 98 LYS 7.95 -1.99 1 99 THR 4.25 -1.19 1 100 ASN 3.54 -0.53 1 101 ALA 5.76 -0.75 1 102 ILE 4.75 -0.90 1 103 ALA 4.33 -0.81 1 105 SER 1.87 1.28 1 106 LEU 3.97 -0.07 1 107 ASN 4.30 -0.94 1 108 SER 4.05 -1.02 1 109 ALA 8.34 -1.41 1 110 PHE 5.76 -0.78 1 111 TYR 2.57 0.39 1 112 GLN 0.91 0.68 1 113 THR -1.54 1.89 1 114 THR -4.41 2.91 1 116 ALA -0.79 1.97 1 117 ALA 5.43 -1.50 1 120 GLN 2.79 0.14 1 121 PHE 6.93 -1.22 1 122 VAL 4.17 -1.06 1 123 ASN 3.63 -0.61 1 124 GLU 5.73 -4.11 1 125 ILE 5.41 -0.58 1 126 ARG -0.26 -1.20 1 127 SER 1.98 0.76 1 128 LEU 6.91 -1.23 1 129 ILE 3.58 -0.49 1 130 ASN 4.34 -0.81 1 131 MET 3.34 -0.52 1 132 PHE 2.04 -0.25 1 133 ALA 1.30 -0.20 1 134 GLN 1.00 -0.10 1 135 SER 0.73 -0.11 1 136 SER 0.36 0.02 1 137 ALA 0.00 0.24 1 138 ASN -0.38 0.42 1 139 GLU 0.14 -0.08 1 140 VAL -0.41 0.04 1 141 SER 0.06 0.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 LYS -5.80 -0.47 0 68 LYS -9.71 0.04 0 11 GLN 0.07 -0.06 1 12 ASN 2.54 -0.46 1 15 TRP -5.19 0.38 1 16 SER 2.30 -0.54 1 17 SER -3.10 0.22 1 18 THR 5.92 -0.20 1 19 GLU 4.31 -0.25 1 20 LEU 3.66 -0.12 1 21 ALA 4.07 -0.27 1 22 ASP 2.43 -0.27 1 23 ALA 3.84 -0.20 1 24 PHE 4.23 -0.71 1 25 ILE 5.56 -0.56 1 26 ASN 4.22 -0.35 1 27 ALA 4.02 -0.16 1 28 PHE 4.58 -0.84 1 29 MET 3.55 -0.59 1 30 ASN 3.44 -0.41 1 31 GLU 3.23 -0.30 1 32 ALA 5.39 -0.25 1 34 ARG 2.01 -0.13 1 35 THR 1.42 -0.28 1 37 ALA 0.35 -0.40 1 38 PHE -3.98 0.34 1 39 THR -2.20 0.00 1 40 ALA 4.29 -0.31 1 41 ASP 3.69 -0.29 1 42 GLN 3.89 -0.24 1 43 LEU 4.45 -0.39 1 44 ASP 4.13 -0.29 1 45 ASP 4.20 -0.23 1 46 MET 2.83 -0.70 1 48 THR 2.49 0.04 1 49 ILE 9.16 -0.39 1 51 ASP 3.62 -0.61 1 52 THR 6.20 -0.02 1 53 ILE 3.79 -0.57 1 54 LYS 5.58 -0.32 1 55 THR 5.84 -0.41 1 56 ALA 4.31 -0.26 1 57 MET 4.36 -0.71 1 58 ASP 3.29 -0.27 1 59 LYS 3.80 -0.37 1 60 MET 2.09 -0.20 1 61 ALA 2.99 -0.14 1 62 ARG 0.70 0.04 1 63 SER -0.67 0.07 1 64 ASN 0.59 0.04 1 65 LYS -0.50 -0.10 1 66 SER 1.28 -0.24 1 71 LEU 4.18 -0.32 1 72 GLN 3.88 -0.30 1 73 ALA 5.04 -0.65 1 74 LEU 5.34 -0.32 1 75 ASN 4.40 -0.29 1 76 MET 4.42 -0.36 1 77 ALA 3.60 -0.66 1 78 PHE 0.80 -0.59 1 79 ALA 4.83 -0.30 1 80 SER 1.76 -0.31 1 81 SER 0.88 -0.11 1 82 MET 2.64 -0.45 1 83 ALA 2.55 -0.41 1 84 GLU 2.14 -0.24 1 85 ILE 1.89 -0.27 1 86 ALA 0.41 -0.05 1 87 ALA 1.26 -0.18 1 88 VAL 0.12 -0.04 1 89 GLU -0.00 -0.01 1 90 GLN -0.62 0.08 1 93 LEU -0.97 -0.25 1 94 SER 4.90 -0.27 1 95 VAL 3.28 -0.27 1 96 ASP 3.08 -0.20 1 97 ALA 4.40 -0.59 1 98 LYS 7.95 -0.06 1 99 THR 4.25 -0.28 1 100 ASN 3.54 0.09 1 101 ALA 5.76 -0.33 1 102 ILE 4.75 -0.24 1 103 ALA 4.33 -0.18 1 104 ASP -1.89 -0.24 1 105 SER 1.87 -0.21 1 106 LEU 3.97 0.04 1 107 ASN 4.30 -0.11 1 108 SER 4.05 -0.47 1 109 ALA 8.34 -0.95 1 110 PHE 5.76 -0.64 1 111 TYR 2.57 -0.38 1 112 GLN 0.91 -0.01 1 113 THR -1.54 0.28 1 114 THR -4.41 0.12 1 116 ALA -0.79 -0.61 1 117 ALA 5.43 -0.33 1 120 GLN 2.79 -0.50 1 121 PHE 6.93 -0.80 1 122 VAL 4.17 -0.37 1 123 ASN 3.63 -0.33 1 124 GLU 5.73 -0.50 1 125 ILE 5.41 -0.64 1 126 ARG -0.26 -0.30 1 127 SER 1.98 -0.38 1 128 LEU 6.91 -0.56 1 129 ILE 3.58 -0.37 1 130 ASN 4.34 -0.48 1 131 MET 3.34 -0.23 1 132 PHE 2.04 -0.09 1 133 ALA 1.30 -0.07 1 134 GLN 1.00 -0.05 1 135 SER 0.73 -0.04 1 136 SER 0.36 -0.05 1 137 ALA 0.00 -0.11 1 138 ASN -0.38 -0.11 1 139 GLU 0.14 -0.09 1 140 VAL -0.41 -0.06 1 141 SER 0.06 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 -1.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 3.24 _LACS_plot.Y_axis_chem_shift_offset -0.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 ALA 5.39 -5.74 0 68 LYS -9.71 1.06 0 96 ASP 3.08 -6.85 0 100 ASN 3.54 -6.84 0 11 GLN 0.07 -0.30 1 12 ASN 2.54 0.22 1 15 TRP -5.19 0.62 1 16 SER 2.30 -0.20 1 17 SER -3.10 -0.21 1 18 THR 5.92 1.65 1 19 GLU 4.31 3.13 1 20 LEU 3.66 0.40 1 21 ALA 4.07 1.98 1 22 ASP 2.43 2.35 1 23 ALA 3.84 3.13 1 24 PHE 4.23 1.01 1 25 ILE 5.56 1.62 1 26 ASN 4.22 2.56 1 27 ALA 4.02 1.90 1 28 PHE 4.58 0.38 1 29 MET 3.55 3.83 1 30 ASN 3.44 3.28 1 31 GLU 3.23 2.47 1 34 ARG 2.01 2.23 1 35 THR 1.42 2.12 1 37 ALA 0.35 -2.37 1 38 PHE -3.98 0.33 1 39 THR -2.20 0.37 1 40 ALA 4.29 2.54 1 41 ASP 3.69 2.22 1 42 GLN 3.89 2.82 1 43 LEU 4.45 2.35 1 44 ASP 4.13 3.64 1 45 ASP 4.20 3.01 1 46 MET 2.83 1.20 1 48 THR 2.49 1.49 1 49 ILE 9.16 0.92 1 51 ASP 3.62 2.67 1 52 THR 6.20 2.42 1 53 ILE 3.79 0.90 1 54 LYS 5.58 3.05 1 55 THR 5.84 1.80 1 56 ALA 4.31 2.32 1 57 MET 4.36 2.64 1 58 ASP 3.29 2.17 1 59 LYS 3.80 3.58 1 60 MET 2.09 2.35 1 61 ALA 2.99 1.41 1 62 ARG 0.70 -0.09 1 63 SER -0.67 1.74 1 64 ASN 0.59 0.29 1 65 LYS -0.50 -0.25 1 66 SER 1.28 0.13 1 70 LYS -5.80 2.43 1 71 LEU 4.18 5.26 1 72 GLN 3.88 0.79 1 73 ALA 5.04 0.74 1 74 LEU 5.34 3.01 1 75 ASN 4.40 1.85 1 76 MET 4.42 2.27 1 77 ALA 3.60 0.99 1 78 PHE 0.80 1.18 1 79 ALA 4.83 2.80 1 80 SER 1.76 2.29 1 81 SER 0.88 2.29 1 82 MET 2.64 1.08 1 83 ALA 2.55 1.95 1 84 GLU 2.14 1.24 1 85 ILE 1.89 -1.37 1 86 ALA 0.41 -0.22 1 87 ALA 1.26 -0.12 1 88 VAL 0.12 -0.11 1 89 GLU -0.00 0.58 1 90 GLN -0.62 -0.57 1 93 LEU -0.97 0.57 1 94 SER 4.90 2.49 1 95 VAL 3.28 1.40 1 97 ALA 4.40 2.03 1 98 LYS 7.95 2.21 1 99 THR 4.25 1.60 1 101 ALA 5.76 0.96 1 102 ILE 4.75 1.69 1 103 ALA 4.33 3.73 1 104 ASP -1.89 1.81 1 105 SER 1.87 0.79 1 106 LEU 3.97 3.04 1 107 ASN 4.30 2.15 1 108 SER 4.05 3.36 1 109 ALA 8.34 3.75 1 110 PHE 5.76 3.15 1 111 TYR 2.57 1.52 1 112 GLN 0.91 1.43 1 113 THR -1.54 1.08 1 114 THR -4.41 -3.50 1 116 ALA -0.79 1.81 1 117 ALA 5.43 2.62 1 120 GLN 2.79 1.32 1 121 PHE 6.93 1.04 1 122 VAL 4.17 3.10 1 123 ASN 3.63 2.28 1 124 GLU 5.73 1.78 1 125 ILE 5.41 1.87 1 126 ARG -0.26 2.79 1 127 SER 1.98 1.18 1 128 LEU 6.91 1.24 1 129 ILE 3.58 2.24 1 130 ASN 4.34 2.78 1 131 MET 3.34 2.38 1 132 PHE 2.04 0.96 1 133 ALA 1.30 0.86 1 134 GLN 1.00 -3.71 1 135 SER 0.73 0.12 1 136 SER 0.36 -2.59 1 137 ALA 0.00 -0.02 1 138 ASN -0.38 -0.14 1 139 GLU 0.14 -0.29 1 140 VAL -0.41 -0.39 1 141 SER 0.06 0.40 1 stop_ save_