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 bmr5931_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 5.61 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LYS -6.46 0.00 0 10 GLU -2.67 -1.04 1 12 ILE 0.13 0.00 1 13 VAL 4.44 2.90 1 15 ALA -2.01 -1.73 1 16 GLU 0.03 1.22 1 17 THR -1.52 -0.72 1 18 PHE -3.46 -1.68 1 19 TYR 1.03 -0.59 1 20 VAL -3.75 -3.21 1 21 ASP -4.54 -0.44 1 23 ALA -3.88 -0.11 1 24 ALA -5.08 -1.97 1 25 ASN -2.14 -0.53 1 26 ARG 3.32 2.83 1 27 GLU 2.08 2.28 1 28 THR -0.25 0.16 1 29 LYS 5.69 1.84 1 30 LEU -2.30 -0.74 1 32 LYS -6.77 -1.20 1 33 ALA -6.77 -2.27 1 35 TYR -7.05 -2.48 1 36 VAL -4.25 -1.12 1 37 THR -7.40 -4.17 1 38 ASN 2.46 1.20 1 39 ARG 0.09 -0.67 1 41 ARG -0.79 0.45 1 42 GLN -4.51 -0.75 1 43 LYS -1.61 0.21 1 44 VAL -3.77 -1.36 1 45 VAL -4.53 -2.51 1 46 THR 0.18 0.24 1 47 LEU -4.44 -1.27 1 48 THR -2.59 -1.49 1 49 ASP 2.32 0.95 1 50 THR -2.69 -2.10 1 51 THR -6.47 -3.17 1 52 ASN 5.06 4.72 1 53 GLN 5.37 4.30 1 54 LYS 4.77 4.27 1 55 THR 6.26 4.84 1 56 GLU 4.14 3.06 1 57 LEU 2.60 2.56 1 58 GLN 5.12 3.06 1 59 ALA 3.47 3.47 1 60 ILE 5.13 4.38 1 61 TYR 4.38 3.49 1 62 LEU 2.48 2.74 1 63 ALA 1.23 1.42 1 64 LEU 3.44 2.60 1 65 GLN 2.92 3.37 1 66 ASP 2.07 0.46 1 67 SER -5.91 -2.12 1 69 LEU 2.05 2.56 1 70 GLU -5.02 -2.76 1 71 VAL -2.90 -0.93 1 72 ASN -4.05 -1.19 1 73 ILE -2.32 -0.26 1 74 VAL -2.28 -1.36 1 75 THR -3.94 -3.53 1 76 ASP -1.05 -1.05 1 77 SER -0.54 -1.53 1 78 GLN 4.37 3.09 1 79 TYR 2.59 2.55 1 80 ALA 2.52 2.15 1 81 LEU 3.58 2.93 1 83 ILE 3.14 1.77 1 84 ILE 4.01 3.09 1 85 GLN 2.70 2.12 1 86 ALA 0.54 0.42 1 87 GLN 2.54 1.65 1 89 ASP -0.17 0.10 1 90 GLN 0.16 0.32 1 91 SER 0.20 0.29 1 92 GLU 0.66 0.30 1 93 SER 0.11 -0.57 1 94 GLU 3.55 2.91 1 95 LEU 2.46 2.56 1 96 VAL 6.92 5.32 1 97 ASN 6.98 5.99 1 98 GLN 4.83 3.46 1 99 ILE 6.03 5.28 1 100 ILE 6.10 4.81 1 101 GLU 3.51 3.12 1 102 GLN 1.67 2.13 1 103 LEU 4.34 3.69 1 104 ILE 3.70 3.50 1 105 LYS 0.76 0.96 1 106 LYS -1.33 -1.83 1 107 GLU 0.93 1.99 1 109 VAL -3.94 -1.81 1 110 TYR -3.25 -1.53 1 111 LEU -5.53 -2.22 1 112 ALA -5.95 -1.69 1 113 TRP -3.28 -2.16 1 114 VAL -3.41 -1.97 1 116 ALA -0.14 -0.26 1 117 HIS -1.28 -1.21 1 118 LYS -0.14 -0.18 1 120 ILE 0.28 0.07 1 123 ASN 0.34 0.35 1 124 GLU 0.48 0.40 1 125 GLN -3.11 0.78 1 126 VAL 0.00 0.54 1 127 ASP 0.41 0.47 1 128 LYS 0.34 0.21 1 129 LEU 0.57 0.33 1 130 VAL 0.83 0.61 1 131 SER 0.24 0.30 1 132 ALA -0.17 0.10 1 134 ILE -0.08 -0.29 1 135 ARG -0.78 -0.23 1 136 LYS -0.01 0.21 1 137 VAL 0.28 0.28 1 138 LEU 0.52 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5931_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 4.41 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LYS -6.46 6.46 0 10 GLU -2.67 1.63 1 12 ILE 0.13 -0.13 1 13 VAL 4.44 -1.54 1 15 ALA -2.01 0.28 1 16 GLU 0.03 1.19 1 17 THR -1.52 0.80 1 18 PHE -3.46 1.78 1 19 TYR 1.03 -1.62 1 20 VAL -3.75 0.54 1 21 ASP -4.54 4.10 1 23 ALA -3.88 3.77 1 24 ALA -5.08 3.11 1 25 ASN -2.14 1.61 1 26 ARG 3.32 -0.49 1 27 GLU 2.08 0.20 1 28 THR -0.25 0.41 1 29 LYS 5.69 -3.85 1 30 LEU -2.30 1.56 1 32 LYS -6.77 5.57 1 33 ALA -6.77 4.50 1 35 TYR -7.05 4.57 1 36 VAL -4.25 3.13 1 37 THR -7.40 3.23 1 38 ASN 2.46 -1.26 1 39 ARG 0.09 -0.76 1 41 ARG -0.79 1.24 1 42 GLN -4.51 3.76 1 43 LYS -1.61 1.82 1 44 VAL -3.77 2.41 1 45 VAL -4.53 2.02 1 46 THR 0.18 0.06 1 47 LEU -4.44 3.17 1 48 THR -2.59 1.10 1 49 ASP 2.32 -1.37 1 50 THR -2.69 0.59 1 51 THR -6.47 3.30 1 52 ASN 5.06 -0.34 1 53 GLN 5.37 -1.07 1 54 LYS 4.77 -0.50 1 55 THR 6.26 -1.42 1 56 GLU 4.14 -1.08 1 57 LEU 2.60 -0.04 1 58 GLN 5.12 -2.06 1 59 ALA 3.47 0.00 1 60 ILE 5.13 -0.75 1 61 TYR 4.38 -0.89 1 62 LEU 2.48 0.26 1 63 ALA 1.23 0.19 1 64 LEU 3.44 -0.84 1 65 GLN 2.92 0.45 1 66 ASP 2.07 -1.61 1 67 SER -5.91 3.79 1 69 LEU 2.05 0.51 1 70 GLU -5.02 2.26 1 71 VAL -2.90 1.97 1 72 ASN -4.05 2.86 1 73 ILE -2.32 2.06 1 74 VAL -2.28 0.92 1 75 THR -3.94 0.41 1 76 ASP -1.05 0.00 1 77 SER -0.54 -0.99 1 78 GLN 4.37 -1.28 1 79 TYR 2.59 -0.04 1 80 ALA 2.52 -0.37 1 81 LEU 3.58 -0.65 1 83 ILE 3.14 -1.37 1 84 ILE 4.01 -0.92 1 85 GLN 2.70 -0.58 1 86 ALA 0.54 -0.12 1 87 GLN 2.54 -0.89 1 89 ASP -0.17 0.27 1 90 GLN 0.16 0.16 1 91 SER 0.20 0.09 1 92 GLU 0.66 -0.36 1 93 SER 0.11 -0.68 1 94 GLU 3.55 -0.64 1 95 LEU 2.46 0.10 1 96 VAL 6.92 -1.60 1 97 ASN 6.98 -0.99 1 98 GLN 4.83 -1.37 1 99 ILE 6.03 -0.75 1 100 ILE 6.10 -1.29 1 101 GLU 3.51 -0.39 1 102 GLN 1.67 0.46 1 103 LEU 4.34 -0.65 1 104 ILE 3.70 -0.20 1 105 LYS 0.76 0.20 1 106 LYS -1.33 -0.50 1 107 GLU 0.93 1.06 1 109 VAL -3.94 2.13 1 110 TYR -3.25 1.72 1 111 LEU -5.53 3.31 1 112 ALA -5.95 4.26 1 113 TRP -3.28 1.12 1 114 VAL -3.41 1.44 1 116 ALA -0.14 -0.12 1 117 HIS -1.28 0.07 1 118 LYS -0.14 -0.04 1 120 ILE 0.28 -0.21 1 123 ASN 0.34 0.01 1 124 GLU 0.48 -0.08 1 125 GLN -3.11 3.89 1 126 VAL 0.00 0.54 1 127 ASP 0.41 0.06 1 128 LYS 0.34 -0.13 1 129 LEU 0.57 -0.24 1 130 VAL 0.83 -0.22 1 131 SER 0.24 0.06 1 132 ALA -0.17 0.27 1 134 ILE -0.08 -0.21 1 135 ARG -0.78 0.55 1 136 LYS -0.01 0.22 1 137 VAL 0.28 0.00 1 138 LEU 0.52 1.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5931_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 1.07 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 VAL -3.75 1.53 0 37 THR -7.40 1.94 0 10 GLU -2.67 -0.06 1 12 ILE 0.13 -0.25 1 13 VAL 4.44 -0.44 1 15 ALA -2.01 0.27 1 16 GLU 0.03 -0.17 1 17 THR -1.52 0.64 1 18 PHE -3.46 -0.24 1 19 TYR 1.03 0.54 1 21 ASP -4.54 0.54 1 23 ALA -3.88 0.39 1 24 ALA -5.08 0.81 1 25 ASN -2.14 0.15 1 26 ARG 3.32 -0.17 1 27 GLU 2.08 -0.02 1 28 THR -0.25 0.00 1 29 LYS 5.69 -0.41 1 30 LEU -2.30 0.53 1 32 LYS -6.77 1.22 1 33 ALA -6.77 0.98 1 35 TYR -7.05 1.49 1 36 VAL -4.25 1.13 1 38 ASN 2.46 -0.12 1 39 ARG 0.09 0.34 1 41 ARG -0.79 0.43 1 42 GLN -4.51 0.90 1 43 LYS -1.61 0.05 1 44 VAL -3.77 0.81 1 45 VAL -4.53 0.63 1 46 THR 0.18 0.64 1 47 LEU -4.44 0.54 1 48 THR -2.59 0.34 1 49 ASP 2.32 -0.29 1 50 THR -2.69 0.56 1 51 THR -6.47 0.30 1 52 ASN 5.06 -0.56 1 53 GLN 5.37 -0.60 1 54 LYS 4.77 -0.39 1 55 THR 6.26 -0.53 1 56 GLU 4.14 -0.31 1 57 LEU 2.60 -0.24 1 58 GLN 5.12 -0.30 1 59 ALA 3.47 -0.30 1 60 ILE 5.13 -0.63 1 61 TYR 4.38 -0.49 1 62 LEU 2.48 -0.46 1 63 ALA 1.23 -1.02 1 64 LEU 3.44 -0.92 1 65 GLN 2.92 -0.62 1 66 ASP 2.07 0.09 1 67 SER -5.91 0.09 1 69 LEU 2.05 -0.24 1 70 GLU -5.02 1.46 1 71 VAL -2.90 0.61 1 72 ASN -4.05 1.23 1 73 ILE -2.32 0.76 1 74 VAL -2.28 0.81 1 75 THR -3.94 0.83 1 76 ASP -1.05 0.72 1 77 SER -0.54 0.39 1 78 GLN 4.37 -0.74 1 79 TYR 2.59 -0.38 1 80 ALA 2.52 -0.70 1 81 LEU 3.58 -0.54 1 83 ILE 3.14 -0.35 1 84 ILE 4.01 -0.51 1 85 GLN 2.70 -0.16 1 86 ALA 0.54 -0.03 1 87 GLN 2.54 -0.22 1 89 ASP -0.17 -0.02 1 90 GLN 0.16 0.04 1 91 SER 0.20 -0.02 1 92 GLU 0.66 0.01 1 93 SER 0.11 -0.02 1 94 GLU 3.55 -0.23 1 95 LEU 2.46 -0.24 1 96 VAL 6.92 -0.74 1 97 ASN 6.98 -0.24 1 98 GLN 4.83 -0.24 1 99 ILE 6.03 -0.62 1 100 ILE 6.10 -0.76 1 101 GLU 3.51 -0.41 1 102 GLN 1.67 -0.37 1 103 LEU 4.34 -0.74 1 104 ILE 3.70 -0.34 1 105 LYS 0.76 -0.07 1 106 LYS -1.33 -0.04 1 107 GLU 0.93 0.10 1 108 LYS -6.46 0.63 1 109 VAL -3.94 0.83 1 110 TYR -3.25 0.35 1 111 LEU -5.53 0.97 1 112 ALA -5.95 0.15 1 113 TRP -3.28 0.31 1 114 VAL -3.41 -0.38 1 116 ALA -0.14 -0.05 1 117 HIS -1.28 -0.05 1 118 LYS -0.14 0.06 1 120 ILE 0.28 0.03 1 123 ASN 0.34 -0.04 1 124 GLU 0.48 -0.03 1 125 GLN -3.11 -0.11 1 126 VAL 0.00 0.22 1 127 ASP 0.41 -0.03 1 128 LYS 0.34 0.05 1 129 LEU 0.57 0.05 1 130 VAL 0.83 0.01 1 131 SER 0.24 -0.03 1 132 ALA -0.17 0.09 1 134 ILE -0.08 0.03 1 135 ARG -0.78 0.14 1 136 LYS -0.01 0.05 1 137 VAL 0.28 0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5931_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 VAL -2.90 -6.07 0 29 LYS 5.69 -3.00 0 37 THR -7.40 2.10 0 12 ILE 0.13 1.96 1 13 VAL 4.44 1.24 1 15 ALA -2.01 -1.18 1 16 GLU 0.03 -1.72 1 17 THR -1.52 -1.85 1 18 PHE -3.46 -2.75 1 19 TYR 1.03 0.35 1 20 VAL -3.75 -0.75 1 21 ASP -4.54 -3.36 1 23 ALA -3.88 -2.65 1 24 ALA -5.08 -2.41 1 25 ASN -2.14 1.57 1 26 ARG 3.32 0.41 1 27 GLU 2.08 1.77 1 28 THR -0.25 1.40 1 30 LEU -2.30 -0.43 1 33 ALA -6.77 -2.08 1 35 TYR -7.05 -1.53 1 36 VAL -4.25 -0.53 1 38 ASN 2.46 0.43 1 39 ARG 0.09 0.02 1 41 ARG -0.79 -1.01 1 42 GLN -4.51 -2.02 1 43 LYS -1.61 -3.69 1 44 VAL -3.77 -1.65 1 45 VAL -4.53 -1.71 1 46 THR 0.18 -0.72 1 47 LEU -4.44 -2.49 1 48 THR -2.59 -1.04 1 49 ASP 2.32 -1.20 1 50 THR -2.69 -0.95 1 51 THR -6.47 0.28 1 52 ASN 5.06 2.08 1 53 GLN 5.37 1.73 1 54 LYS 4.77 3.14 1 55 THR 6.26 2.13 1 56 GLU 4.14 3.39 1 57 LEU 2.60 1.35 1 58 GLN 5.12 1.91 1 59 ALA 3.47 0.82 1 60 ILE 5.13 0.69 1 61 TYR 4.38 1.06 1 62 LEU 2.48 0.43 1 63 ALA 1.23 1.60 1 64 LEU 3.44 -3.72 1 65 GLN 2.92 2.33 1 66 ASP 2.07 -1.11 1 67 SER -5.91 1.28 1 69 LEU 2.05 -1.04 1 70 GLU -5.02 -1.61 1 72 ASN -4.05 -0.93 1 73 ILE -2.32 -3.44 1 74 VAL -2.28 -1.04 1 75 THR -3.94 -3.54 1 76 ASP -1.05 1.49 1 77 SER -0.54 0.49 1 78 GLN 4.37 2.69 1 79 TYR 2.59 1.19 1 80 ALA 2.52 0.85 1 81 LEU 3.58 1.00 1 83 ILE 3.14 1.14 1 84 ILE 4.01 2.08 1 85 GLN 2.70 0.41 1 86 ALA 0.54 -1.03 1 89 ASP -0.17 0.05 1 90 GLN 0.16 -0.45 1 91 SER 0.20 0.47 1 92 GLU 0.66 -0.14 1 93 SER 0.11 0.61 1 94 GLU 3.55 1.53 1 96 VAL 6.92 1.82 1 97 ASN 6.98 3.05 1 98 GLN 4.83 3.36 1 99 ILE 6.03 0.96 1 100 ILE 6.10 0.79 1 101 GLU 3.51 2.69 1 102 GLN 1.67 2.83 1 103 LEU 4.34 1.74 1 104 ILE 3.70 0.37 1 105 LYS 0.76 1.06 1 106 LYS -1.33 0.56 1 107 GLU 0.93 1.18 1 109 VAL -3.94 -2.67 1 110 TYR -3.25 -3.43 1 111 LEU -5.53 -3.41 1 112 ALA -5.95 -3.42 1 113 TRP -3.28 -0.25 1 116 ALA -0.14 -1.18 1 117 HIS -1.28 0.62 1 118 LYS -0.14 0.19 1 120 ILE 0.28 0.40 1 123 ASN 0.34 0.20 1 125 GLN -3.11 0.05 1 126 VAL 0.00 -0.78 1 127 ASP 0.41 0.23 1 129 LEU 0.57 -0.30 1 130 VAL 0.83 0.08 1 131 SER 0.24 -0.10 1 132 ALA -0.17 0.33 1 134 ILE -0.08 -0.49 1 135 ARG -0.78 -0.78 1 136 LYS -0.01 -0.54 1 137 VAL 0.28 -1.23 1 stop_ save_