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 bmr5991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _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 -1.41 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 5.28 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS -7.06 -1.83 0 79 LYS -0.87 -3.59 0 10 ASP 0.96 0.84 1 11 ARG 0.51 -0.22 1 12 ALA 1.05 1.04 1 13 ASP 0.78 0.28 1 14 LEU 1.07 0.50 1 15 ASN 0.17 0.26 1 16 LYS 1.64 1.07 1 17 ASP 0.71 0.22 1 18 LYS 1.45 0.46 1 20 VAL 1.09 0.48 1 21 ILE 0.01 -1.80 1 23 ALA 3.65 2.65 1 24 ALA 3.04 2.09 1 25 ALA 2.10 1.79 1 26 LEU 3.53 2.29 1 27 ALA 2.63 2.91 1 29 TYR 1.71 2.17 1 30 THR -0.32 0.51 1 32 SER 1.07 1.21 1 35 ILE 1.17 1.32 1 36 GLN -6.09 -2.72 1 37 LEU 5.94 3.48 1 38 TRP 5.12 2.57 1 39 GLN 3.93 1.39 1 40 PHE 3.87 3.49 1 41 LEU 5.13 3.11 1 42 LEU 3.09 2.43 1 43 GLU 4.04 3.10 1 44 LEU 3.25 2.66 1 45 LEU 1.72 1.43 1 46 THR 0.52 -1.54 1 47 ASP -3.83 -1.96 1 48 LYS 4.07 3.50 1 49 SER 3.46 2.70 1 51 GLN 4.14 2.69 1 52 SER 3.24 1.96 1 53 PHE -3.05 -1.54 1 54 ILE -1.30 -0.66 1 55 SER -2.77 -1.40 1 56 TRP -0.86 -0.78 1 57 THR 2.10 1.07 1 59 ASP -2.59 -2.64 1 61 TRP -2.57 -2.28 1 62 GLU -1.54 0.12 1 63 PHE -5.26 -1.17 1 64 LYS -6.81 -2.66 1 65 LEU -0.22 -1.56 1 66 SER 3.71 2.52 1 67 ASP -1.96 -1.34 1 69 ASP 4.40 3.45 1 70 GLU 2.80 1.42 1 71 VAL 7.54 5.70 1 72 ALA 4.65 3.47 1 73 ARG 3.98 3.70 1 74 ARG 5.36 3.88 1 75 TRP -0.09 0.89 1 77 LYS 3.06 2.26 1 78 ARG 2.47 0.53 1 80 ASN 3.28 1.00 1 81 LYS -2.75 -1.40 1 83 LYS 1.92 -0.79 1 84 MET 3.56 0.57 1 85 ASN -2.19 -1.42 1 86 TYR 5.62 4.34 1 87 GLU 5.23 3.84 1 88 LYS 2.84 3.22 1 89 LEU 3.73 3.85 1 90 SER 5.41 3.66 1 91 ARG 4.94 3.70 1 93 LEU 4.97 3.67 1 94 ARG 4.04 2.58 1 95 TYR 3.87 2.92 1 96 TYR 2.23 1.43 1 97 TYR 2.87 0.77 1 98 ASP 2.75 1.88 1 99 LYS -1.59 -2.10 1 100 ASN 3.66 1.75 1 101 ILE -1.69 -0.10 1 102 ILE -5.60 -1.40 1 104 LYS -0.70 0.14 1 105 THR 3.14 1.81 1 106 ALA 1.96 1.42 1 108 LYS -4.37 -2.10 1 109 ARG -1.42 -0.03 1 110 TYR 0.88 -1.23 1 111 VAL -1.03 -0.45 1 112 TYR -6.37 -1.93 1 113 ARG -5.59 -0.59 1 114 PHE 1.46 2.00 1 115 VAL 0.65 -0.45 1 116 SER 0.34 -0.09 1 117 ASP 1.69 -0.93 1 118 LEU 3.64 1.62 1 119 GLN 5.11 4.18 1 120 SER 4.46 2.89 1 121 LEU 1.12 2.36 1 122 LEU -0.61 0.87 1 124 TYR -4.71 -1.00 1 125 THR 1.23 -0.66 1 127 GLU 5.49 3.84 1 128 GLU 1.68 2.35 1 129 LEU 3.27 2.20 1 130 HIS 0.44 2.46 1 131 ALA 3.17 2.16 1 132 MET 2.36 3.18 1 133 LEU -0.91 -1.00 1 134 ASP 2.25 1.02 1 135 VAL 1.40 1.04 1 136 LYS -1.01 -0.84 1 138 ASP 0.28 0.28 1 139 ALA -1.03 -0.26 1 140 ASP 0.82 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 4.68 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -2.26 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS -7.06 5.23 0 79 LYS -0.87 -2.72 0 10 ASP 0.96 -0.12 1 11 ARG 0.51 -0.73 1 12 ALA 1.05 -0.01 1 13 ASP 0.78 -0.50 1 14 LEU 1.07 -0.57 1 15 ASN 0.17 0.09 1 16 LYS 1.64 -0.57 1 17 ASP 0.71 -0.49 1 18 LYS 1.45 -0.99 1 20 VAL 1.09 -0.61 1 21 ILE 0.01 -1.81 1 23 ALA 3.65 -1.00 1 24 ALA 3.04 -0.95 1 25 ALA 2.10 -0.31 1 26 LEU 3.53 -1.24 1 27 ALA 2.63 0.28 1 29 TYR 1.71 0.46 1 30 THR -0.32 0.83 1 32 SER 1.07 0.14 1 35 ILE 1.17 0.15 1 36 GLN -6.09 3.37 1 37 LEU 5.94 -2.46 1 38 TRP 5.12 -2.55 1 39 GLN 3.93 -2.54 1 40 PHE 3.87 -0.38 1 41 LEU 5.13 -2.02 1 42 LEU 3.09 -0.66 1 43 GLU 4.04 -0.94 1 44 LEU 3.25 -0.59 1 45 LEU 1.72 -0.29 1 46 THR 0.52 -2.06 1 47 ASP -3.83 1.87 1 48 LYS 4.07 -0.57 1 49 SER 3.46 -0.76 1 51 GLN 4.14 -1.45 1 52 SER 3.24 -1.28 1 53 PHE -3.05 1.51 1 54 ILE -1.30 0.64 1 55 SER -2.77 1.37 1 56 TRP -0.86 0.08 1 57 THR 2.10 -1.03 1 59 ASP -2.59 -0.05 1 61 TRP -2.57 0.29 1 62 GLU -1.54 1.66 1 63 PHE -5.26 4.09 1 64 LYS -6.81 4.15 1 65 LEU -0.22 -1.34 1 66 SER 3.71 -1.19 1 67 ASP -1.96 0.62 1 69 ASP 4.40 -0.95 1 70 GLU 2.80 -1.38 1 71 VAL 7.54 -1.84 1 72 ALA 4.65 -1.18 1 73 ARG 3.98 -0.28 1 74 ARG 5.36 -1.48 1 75 TRP -0.09 0.98 1 77 LYS 3.06 -0.80 1 78 ARG 2.47 -1.94 1 80 ASN 3.28 -2.28 1 81 LYS -2.75 1.35 1 83 LYS 1.92 -2.71 1 84 MET 3.56 -2.99 1 85 ASN -2.19 0.77 1 86 TYR 5.62 -1.28 1 87 GLU 5.23 -1.39 1 88 LYS 2.84 0.38 1 89 LEU 3.73 0.12 1 90 SER 5.41 -1.75 1 91 ARG 4.94 -1.24 1 93 LEU 4.97 -1.30 1 94 ARG 4.04 -1.46 1 95 TYR 3.87 -0.95 1 96 TYR 2.23 -0.80 1 97 TYR 2.87 -2.10 1 98 ASP 2.75 -0.87 1 99 LYS -1.59 -0.51 1 100 ASN 3.66 -1.91 1 101 ILE -1.69 1.59 1 102 ILE -5.60 4.20 1 104 LYS -0.70 0.84 1 105 THR 3.14 -1.33 1 106 ALA 1.96 -0.54 1 108 LYS -4.37 2.27 1 109 ARG -1.42 1.39 1 110 TYR 0.88 -2.11 1 111 VAL -1.03 0.58 1 112 TYR -6.37 4.44 1 113 ARG -5.59 5.00 1 114 PHE 1.46 0.54 1 115 VAL 0.65 -1.10 1 116 SER 0.34 -0.43 1 117 ASP 1.69 -2.62 1 118 LEU 3.64 -2.02 1 119 GLN 5.11 -0.93 1 120 SER 4.46 -1.57 1 121 LEU 1.12 1.24 1 122 LEU -0.61 1.48 1 124 TYR -4.71 3.71 1 125 THR 1.23 -1.89 1 127 GLU 5.49 -1.65 1 128 GLU 1.68 0.67 1 129 LEU 3.27 -1.07 1 130 HIS 0.44 2.02 1 131 ALA 3.17 -1.01 1 132 MET 2.36 0.82 1 133 LEU -0.91 -0.09 1 134 ASP 2.25 -1.23 1 135 VAL 1.40 -0.36 1 136 LYS -1.01 0.17 1 138 ASP 0.28 0.00 1 139 ALA -1.03 0.77 1 140 ASP 0.82 0.95 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 0.65 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 103 HIS -7.06 0.39 0 37 LEU 5.94 -1.45 0 97 TYR 2.87 0.80 0 10 ASP 0.96 -0.02 1 11 ARG 0.51 -0.01 1 12 ALA 1.05 -0.07 1 13 ASP 0.78 -0.05 1 14 LEU 1.07 0.02 1 15 ASN 0.17 -0.02 1 16 LYS 1.64 0.01 1 17 ASP 0.71 0.06 1 18 LYS 1.45 0.11 1 20 VAL 1.09 -0.05 1 21 ILE 0.01 0.07 1 23 ALA 3.65 -0.20 1 24 ALA 3.04 -0.30 1 25 ALA 2.10 0.25 1 26 LEU 3.53 -0.27 1 27 ALA 2.63 -0.16 1 29 TYR 1.71 -0.61 1 30 THR -0.32 -0.30 1 32 SER 1.07 -0.11 1 35 ILE 1.17 -0.13 1 36 GLN -6.09 0.54 1 38 TRP 5.12 -0.64 1 39 GLN 3.93 -1.09 1 40 PHE 3.87 -0.47 1 41 LEU 5.13 -0.81 1 42 LEU 3.09 -0.48 1 43 GLU 4.04 -0.28 1 44 LEU 3.25 -0.37 1 45 LEU 1.72 -0.66 1 46 THR 0.52 0.48 1 47 ASP -3.83 0.21 1 48 LYS 4.07 -0.38 1 49 SER 3.46 -0.01 1 51 GLN 4.14 -0.01 1 52 SER 3.24 -0.21 1 53 PHE -3.05 0.50 1 54 ILE -1.30 1.00 1 55 SER -2.77 0.36 1 56 TRP -0.86 0.62 1 57 THR 2.10 0.01 1 59 ASP -2.59 0.24 1 61 TRP -2.57 0.87 1 62 GLU -1.54 1.03 1 63 PHE -5.26 1.17 1 64 LYS -6.81 1.16 1 65 LEU -0.22 0.59 1 66 SER 3.71 -0.11 1 67 ASP -1.96 0.11 1 69 ASP 4.40 -0.18 1 70 GLU 2.80 -0.20 1 71 VAL 7.54 -0.70 1 72 ALA 4.65 -0.20 1 73 ARG 3.98 -0.29 1 74 ARG 5.36 -0.24 1 75 TRP -0.09 -0.61 1 77 LYS 3.06 -0.27 1 78 ARG 2.47 -0.24 1 79 LYS -0.87 -0.33 1 80 ASN 3.28 -0.49 1 81 LYS -2.75 0.17 1 83 LYS 1.92 0.04 1 84 MET 3.56 -0.17 1 85 ASN -2.19 0.09 1 86 TYR 5.62 -0.37 1 87 GLU 5.23 -0.54 1 88 LYS 2.84 -0.27 1 89 LEU 3.73 -0.29 1 90 SER 5.41 -0.58 1 91 ARG 4.94 -0.29 1 93 LEU 4.97 -0.29 1 94 ARG 4.04 -1.00 1 95 TYR 3.87 -0.24 1 96 TYR 2.23 -0.14 1 98 ASP 2.75 -0.10 1 99 LYS -1.59 0.08 1 100 ASN 3.66 -0.59 1 101 ILE -1.69 -0.01 1 102 ILE -5.60 0.81 1 104 LYS -0.70 -0.07 1 105 THR 3.14 -0.28 1 106 ALA 1.96 -0.16 1 108 LYS -4.37 0.35 1 109 ARG -1.42 0.08 1 110 TYR 0.88 -0.30 1 111 VAL -1.03 0.76 1 112 TYR -6.37 0.36 1 113 ARG -5.59 0.91 1 114 PHE 1.46 0.55 1 115 VAL 0.65 0.26 1 116 SER 0.34 -0.01 1 117 ASP 1.69 -0.39 1 118 LEU 3.64 -0.55 1 119 GLN 5.11 0.25 1 120 SER 4.46 -0.23 1 121 LEU 1.12 0.10 1 122 LEU -0.61 0.02 1 124 TYR -4.71 0.46 1 125 THR 1.23 0.02 1 127 GLU 5.49 -0.75 1 128 GLU 1.68 -0.36 1 129 LEU 3.27 -0.37 1 130 HIS 0.44 -0.61 1 131 ALA 3.17 0.04 1 132 MET 2.36 -0.25 1 133 LEU -0.91 0.04 1 134 ASP 2.25 -0.18 1 135 VAL 1.40 -0.20 1 136 LYS -1.01 0.14 1 138 ASP 0.28 -0.05 1 139 ALA -1.03 0.08 1 140 ASP 0.82 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5991_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.04 _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 -0.63 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 2.52 _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 54 ILE -1.30 -4.75 0 63 PHE -5.26 -5.04 0 36 GLN -6.09 1.80 0 10 ASP 0.96 0.21 1 11 ARG 0.51 -0.03 1 12 ALA 1.05 -0.08 1 13 ASP 0.78 0.28 1 14 LEU 1.07 -0.37 1 15 ASN 0.17 0.38 1 16 LYS 1.64 -0.26 1 17 ASP 0.71 -0.92 1 23 ALA 3.65 1.54 1 24 ALA 3.04 2.95 1 25 ALA 2.10 1.73 1 26 LEU 3.53 1.47 1 27 ALA 2.63 2.64 1 30 THR -0.32 1.03 1 32 SER 1.07 -0.07 1 35 ILE 1.17 -0.51 1 38 TRP 5.12 -0.17 1 39 GLN 3.93 1.76 1 40 PHE 3.87 0.45 1 41 LEU 5.13 0.17 1 42 LEU 3.09 0.20 1 43 GLU 4.04 2.38 1 44 LEU 3.25 3.05 1 45 LEU 1.72 0.99 1 46 THR 0.52 -3.11 1 47 ASP -3.83 0.25 1 48 LYS 4.07 1.50 1 49 SER 3.46 1.83 1 51 GLN 4.14 0.85 1 52 SER 3.24 0.14 1 53 PHE -3.05 -1.09 1 55 SER -2.77 -0.51 1 56 TRP -0.86 1.84 1 57 THR 2.10 2.12 1 59 ASP -2.59 -0.63 1 61 TRP -2.57 0.08 1 62 GLU -1.54 -0.57 1 64 LYS -6.81 -1.37 1 65 LEU -0.22 -2.79 1 66 SER 3.71 0.63 1 69 ASP 4.40 2.31 1 70 GLU 2.80 1.93 1 71 VAL 7.54 1.08 1 72 ALA 4.65 0.78 1 73 ARG 3.98 4.08 1 74 ARG 5.36 2.76 1 75 TRP -0.09 0.74 1 77 LYS 3.06 2.65 1 78 ARG 2.47 1.07 1 79 LYS -0.87 -1.30 1 80 ASN 3.28 -1.30 1 83 LYS 1.92 -0.05 1 84 MET 3.56 -2.18 1 85 ASN -2.19 0.11 1 86 TYR 5.62 0.48 1 87 GLU 5.23 2.95 1 88 LYS 2.84 3.52 1 89 LEU 3.73 1.09 1 90 SER 5.41 2.41 1 91 ARG 4.94 2.83 1 93 LEU 4.97 0.94 1 94 ARG 4.04 2.51 1 95 TYR 3.87 0.98 1 96 TYR 2.23 0.53 1 97 TYR 2.87 3.83 1 98 ASP 2.75 -0.28 1 99 LYS -1.59 -1.19 1 100 ASN 3.66 -1.91 1 101 ILE -1.69 -0.11 1 102 ILE -5.60 -2.31 1 103 HIS -7.06 -0.08 1 104 LYS -0.70 -0.29 1 105 THR 3.14 -0.90 1 106 ALA 1.96 0.67 1 108 LYS -4.37 -1.63 1 109 ARG -1.42 0.30 1 110 TYR 0.88 -2.29 1 111 VAL -1.03 -1.67 1 112 TYR -6.37 -3.24 1 113 ARG -5.59 0.77 1 114 PHE 1.46 0.59 1 115 VAL 0.65 0.06 1 116 SER 0.34 0.00 1 117 ASP 1.69 1.09 1 118 LEU 3.64 1.05 1 119 GLN 5.11 3.75 1 120 SER 4.46 0.50 1 121 LEU 1.12 0.47 1 122 LEU -0.61 0.44 1 124 TYR -4.71 -0.68 1 127 GLU 5.49 3.33 1 128 GLU 1.68 2.77 1 129 LEU 3.27 1.30 1 130 HIS 0.44 4.32 1 131 ALA 3.17 3.16 1 132 MET 2.36 0.99 1 133 LEU -0.91 -2.31 1 134 ASP 2.25 -0.94 1 135 VAL 1.40 -0.29 1 138 ASP 0.28 -0.61 1 139 ALA -1.03 -1.31 1 stop_ save_