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 bmr19282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 4.02 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 MET 4.36 0.64 0 33 ASP 1.60 3.94 0 27 TRP 4.32 5.15 0 10 TRP 0.69 0.16 1 11 LEU -2.48 -0.49 1 12 SER -2.92 -1.23 1 13 HIS -0.67 2.28 1 14 ARG 5.53 2.41 1 15 ASP 0.93 0.28 1 16 LYS -5.84 -0.64 1 18 PHE -4.86 -1.27 1 19 HIS -1.32 0.08 1 20 VAL -0.36 -1.15 1 21 SER 1.93 1.12 1 22 GLN -0.61 0.03 1 23 VAL -3.88 -2.41 1 24 SER -3.82 -2.26 1 25 ASN -2.70 -0.07 1 26 THR -0.79 0.13 1 28 GLU 3.41 2.99 1 29 GLU 3.74 1.97 1 31 LEU 4.77 3.85 1 32 VAL 4.59 3.67 1 35 ASP 3.03 4.07 1 37 LYS -1.02 -0.37 1 39 ALA -7.38 -2.33 1 40 THR -4.28 -1.63 1 41 LEU -0.64 1.58 1 42 MET 1.09 2.49 1 43 LEU -2.00 -1.57 1 44 ILE 0.58 -0.05 1 45 GLN -0.03 1.40 1 46 ASP -2.59 -0.94 1 47 GLN 4.22 3.29 1 48 GLU 4.50 3.35 1 49 GLU 2.50 3.23 1 50 LEU 3.87 3.17 1 51 ARG 4.34 3.37 1 52 PHE 4.67 3.58 1 53 LEU 3.27 2.20 1 54 LEU 4.30 2.83 1 55 ASP 2.30 2.03 1 56 SER 2.51 2.38 1 57 ILE 0.94 0.71 1 58 LYS 1.93 1.12 1 59 GLU 0.38 -0.69 1 60 LYS 1.48 0.81 1 61 TYR 0.51 -0.79 1 62 ASN -2.93 -0.45 1 63 SER -0.81 -0.79 1 64 PHE -4.89 -2.26 1 65 TRP -2.50 0.58 1 66 ILE -4.46 -1.50 1 68 LEU -4.14 -0.46 1 69 ARG -3.96 -0.52 1 70 TYR 0.42 -0.15 1 71 THR -2.69 -1.17 1 72 LEU -0.35 -0.23 1 74 ASP 3.74 2.33 1 76 ASN -4.74 -1.82 1 77 TRP -0.40 0.12 1 78 LYS -4.65 -1.05 1 79 TRP -3.15 -0.81 1 80 ILE 3.20 2.68 1 81 ASN 0.81 -0.31 1 83 SER -0.19 0.52 1 84 THR 0.68 0.93 1 85 LEU 0.01 1.07 1 86 ASN -0.59 -0.86 1 87 SER 1.81 1.61 1 88 ASP 2.25 1.79 1 89 VAL 2.17 2.23 1 90 LEU -2.60 -0.73 1 91 LYS -1.11 -1.03 1 92 ILE -1.13 -0.90 1 93 THR -0.80 -0.20 1 95 ASP -0.80 -0.02 1 96 THR -0.41 -0.43 1 97 GLU -1.23 -0.44 1 98 ASN -0.98 0.35 1 99 ASP 1.64 0.94 1 100 SER -1.42 0.91 1 102 ALA -3.74 -0.87 1 103 ALA -6.03 -2.12 1 104 ILE -1.47 0.02 1 105 SER -1.91 -1.57 1 107 ASP -0.53 -0.70 1 108 LYS -3.78 -1.46 1 109 VAL 0.71 -0.19 1 110 THR -3.91 -2.65 1 111 PHE -4.12 -1.74 1 112 GLU -6.16 -1.91 1 113 SER 1.07 0.92 1 115 ASN 0.81 0.00 1 116 SER 1.14 1.29 1 117 ASP -1.40 -0.87 1 118 ASN -3.36 -1.03 1 119 ARG -0.77 0.67 1 120 TRP -3.32 0.15 1 121 ILE -4.28 -1.67 1 123 GLN -7.44 -1.87 1 124 LYS -5.28 -0.80 1 125 GLU -1.83 -0.58 1 126 LEU 0.26 0.48 1 127 TYR -0.48 -0.41 1 128 HIS -0.83 0.69 1 129 GLU -0.35 0.22 1 130 THR 0.26 0.40 1 131 LEU 0.30 0.26 1 132 SER 0.21 0.27 1 133 ASN 0.30 0.24 1 134 TYR 0.21 0.25 1 135 VAL 0.47 0.35 1 137 TYR 0.15 0.27 1 139 HIS 0.52 2.07 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 5.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 -1.50 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 MET 4.36 -3.72 0 33 ASP 1.60 2.34 0 27 TRP 4.32 0.83 0 10 TRP 0.69 -0.53 1 11 LEU -2.48 1.99 1 12 SER -2.92 1.69 1 13 HIS -0.67 2.95 1 14 ARG 5.53 -3.12 1 15 ASP 0.93 -0.65 1 16 LYS -5.84 5.20 1 18 PHE -4.86 3.59 1 19 HIS -1.32 1.40 1 20 VAL -0.36 -0.79 1 21 SER 1.93 -0.81 1 22 GLN -0.61 0.64 1 23 VAL -3.88 1.47 1 24 SER -3.82 1.56 1 25 ASN -2.70 2.63 1 26 THR -0.79 0.92 1 28 GLU 3.41 -0.42 1 29 GLU 3.74 -1.77 1 31 LEU 4.77 -0.92 1 32 VAL 4.59 -0.92 1 35 ASP 3.03 1.04 1 37 LYS -1.02 0.65 1 39 ALA -7.38 5.05 1 40 THR -4.28 2.65 1 41 LEU -0.64 2.22 1 42 MET 1.09 1.40 1 43 LEU -2.00 0.43 1 44 ILE 0.58 -0.63 1 45 GLN -0.03 1.43 1 46 ASP -2.59 1.65 1 47 GLN 4.22 -0.93 1 48 GLU 4.50 -1.15 1 49 GLU 2.50 0.73 1 50 LEU 3.87 -0.70 1 51 ARG 4.34 -0.97 1 52 PHE 4.67 -1.09 1 53 LEU 3.27 -1.07 1 54 LEU 4.30 -1.47 1 55 ASP 2.30 -0.27 1 56 SER 2.51 -0.13 1 57 ILE 0.94 -0.23 1 58 LYS 1.93 -0.81 1 59 GLU 0.38 -1.07 1 60 LYS 1.48 -0.67 1 61 TYR 0.51 -1.30 1 62 ASN -2.93 2.48 1 63 SER -0.81 0.02 1 64 PHE -4.89 2.63 1 65 TRP -2.50 3.08 1 66 ILE -4.46 2.96 1 68 LEU -4.14 3.68 1 69 ARG -3.96 3.44 1 70 TYR 0.42 -0.57 1 71 THR -2.69 1.52 1 72 LEU -0.35 0.12 1 74 ASP 3.74 -1.41 1 76 ASN -4.74 2.92 1 77 TRP -0.40 0.52 1 78 LYS -4.65 3.60 1 79 TRP -3.15 2.34 1 80 ILE 3.20 -0.52 1 81 ASN 0.81 -1.12 1 83 SER -0.19 0.71 1 84 THR 0.68 0.25 1 85 LEU 0.01 1.06 1 86 ASN -0.59 -0.27 1 87 SER 1.81 -0.20 1 88 ASP 2.25 -0.46 1 89 VAL 2.17 0.06 1 90 LEU -2.60 1.87 1 91 LYS -1.11 0.08 1 92 ILE -1.13 0.23 1 93 THR -0.80 0.60 1 95 ASP -0.80 0.78 1 96 THR -0.41 -0.02 1 97 GLU -1.23 0.79 1 98 ASN -0.98 1.33 1 99 ASP 1.64 -0.70 1 100 SER -1.42 2.33 1 102 ALA -3.74 2.87 1 103 ALA -6.03 3.91 1 104 ILE -1.47 1.49 1 105 SER -1.91 0.34 1 107 ASP -0.53 -0.17 1 108 LYS -3.78 2.32 1 109 VAL 0.71 -0.90 1 110 THR -3.91 1.26 1 111 PHE -4.12 2.38 1 112 GLU -6.16 4.25 1 113 SER 1.07 -0.15 1 115 ASN 0.81 -0.81 1 116 SER 1.14 0.15 1 117 ASP -1.40 0.53 1 118 ASN -3.36 2.33 1 119 ARG -0.77 1.44 1 120 TRP -3.32 3.47 1 121 ILE -4.28 2.61 1 123 GLN -7.44 5.57 1 124 LYS -5.28 4.48 1 125 GLU -1.83 1.25 1 126 LEU 0.26 0.22 1 127 TYR -0.48 0.07 1 128 HIS -0.83 1.52 1 129 GLU -0.35 0.57 1 130 THR 0.26 0.14 1 131 LEU 0.30 -0.04 1 132 SER 0.21 0.06 1 133 ASN 0.30 -0.06 1 134 TYR 0.21 0.04 1 135 VAL 0.47 -0.12 1 137 TYR 0.15 0.12 1 139 HIS 0.52 1.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 1.02 _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 0.29 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 TRP 4.32 -2.04 0 10 TRP 0.69 0.40 1 11 LEU -2.48 0.42 1 12 SER -2.92 0.92 1 13 HIS -0.67 -0.43 1 14 ARG 5.53 -0.82 1 15 ASP 0.93 0.12 1 16 LYS -5.84 0.70 1 18 PHE -4.86 1.63 1 19 HIS -1.32 -0.37 1 20 VAL -0.36 0.07 1 21 SER 1.93 -0.57 1 22 GLN -0.61 -0.07 1 23 VAL -3.88 0.19 1 24 SER -3.82 0.42 1 25 ASN -2.70 0.35 1 26 THR -0.79 1.17 1 28 GLU 3.41 -0.64 1 29 GLU 3.74 -0.42 1 31 LEU 4.77 -0.99 1 32 VAL 4.59 -0.47 1 33 ASP 1.60 -0.26 1 35 ASP 3.03 0.11 1 37 LYS -1.02 0.23 1 39 ALA -7.38 0.80 1 40 THR -4.28 0.73 1 41 LEU -0.64 0.71 1 42 MET 1.09 -0.38 1 43 LEU -2.00 0.18 1 44 ILE 0.58 0.03 1 45 GLN -0.03 -0.16 1 46 ASP -2.59 0.00 1 47 GLN 4.22 -0.34 1 48 GLU 4.50 -0.27 1 49 GLU 2.50 -0.57 1 50 LEU 3.87 -0.40 1 51 ARG 4.34 -0.53 1 52 PHE 4.67 -0.49 1 53 LEU 3.27 -0.94 1 54 LEU 4.30 -0.55 1 55 ASP 2.30 -0.26 1 56 SER 2.51 -0.35 1 57 ILE 0.94 -0.37 1 58 LYS 1.93 -0.16 1 59 GLU 0.38 0.00 1 60 LYS 1.48 -0.16 1 61 TYR 0.51 0.04 1 62 ASN -2.93 -0.01 1 63 SER -0.81 0.79 1 64 PHE -4.89 -0.03 1 65 TRP -2.50 1.08 1 66 ILE -4.46 1.10 1 68 LEU -4.14 0.54 1 69 ARG -3.96 0.57 1 70 TYR 0.42 -0.67 1 71 THR -2.69 0.13 1 72 LEU -0.35 -0.41 1 74 ASP 3.74 -0.48 1 75 MET 4.36 -1.16 1 76 ASN -4.74 0.07 1 77 TRP -0.40 -0.13 1 78 LYS -4.65 0.65 1 79 TRP -3.15 1.02 1 80 ILE 3.20 0.19 1 81 ASN 0.81 0.15 1 83 SER -0.19 0.22 1 84 THR 0.68 0.28 1 85 LEU 0.01 0.08 1 86 ASN -0.59 0.32 1 87 SER 1.81 0.14 1 88 ASP 2.25 -0.06 1 89 VAL 2.17 -0.13 1 90 LEU -2.60 0.14 1 91 LYS -1.11 0.11 1 92 ILE -1.13 0.10 1 93 THR -0.80 0.14 1 95 ASP -0.80 0.10 1 96 THR -0.41 -0.21 1 97 GLU -1.23 -0.13 1 98 ASN -0.98 -0.22 1 99 ASP 1.64 -0.05 1 100 SER -1.42 0.52 1 102 ALA -3.74 1.06 1 103 ALA -6.03 1.17 1 104 ILE -1.47 0.45 1 105 SER -1.91 0.32 1 107 ASP -0.53 -0.01 1 108 LYS -3.78 0.40 1 109 VAL 0.71 0.61 1 110 THR -3.91 0.41 1 111 PHE -4.12 0.98 1 112 GLU -6.16 0.57 1 113 SER 1.07 0.24 1 115 ASN 0.81 0.34 1 116 SER 1.14 0.04 1 117 ASP -1.40 0.19 1 118 ASN -3.36 0.20 1 119 ARG -0.77 0.15 1 120 TRP -3.32 1.06 1 121 ILE -4.28 1.17 1 123 GLN -7.44 1.89 1 124 LYS -5.28 0.52 1 125 GLU -1.83 0.23 1 126 LEU 0.26 -0.20 1 127 TYR -0.48 -0.02 1 128 HIS -0.83 -0.15 1 129 GLU -0.35 -0.07 1 130 THR 0.26 -0.01 1 131 LEU 0.30 0.07 1 132 SER 0.21 -0.07 1 133 ASN 0.30 -0.05 1 134 TYR 0.21 0.02 1 135 VAL 0.47 -0.07 1 137 TYR 0.15 0.01 1 139 HIS 0.52 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 1.44 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 TRP -3.15 4.87 0 10 TRP 0.69 -0.10 1 11 LEU -2.48 -0.76 1 12 SER -2.92 -0.44 1 13 HIS -0.67 -0.56 1 14 ARG 5.53 -0.87 1 15 ASP 0.93 -2.05 1 16 LYS -5.84 -1.13 1 18 PHE -4.86 -1.56 1 19 HIS -1.32 -1.17 1 20 VAL -0.36 -1.33 1 21 SER 1.93 -0.76 1 22 GLN -0.61 -0.35 1 23 VAL -3.88 -3.61 1 24 SER -3.82 -0.75 1 25 ASN -2.70 0.08 1 26 THR -0.79 -0.35 1 27 TRP 4.32 1.52 1 28 GLU 3.41 2.33 1 29 GLU 3.74 2.99 1 31 LEU 4.77 2.23 1 32 VAL 4.59 2.74 1 33 ASP 1.60 3.47 1 35 ASP 3.03 4.16 1 37 LYS -1.02 -0.19 1 39 ALA -7.38 -2.98 1 40 THR -4.28 1.02 1 41 LEU -0.64 0.20 1 42 MET 1.09 -2.20 1 43 LEU -2.00 -2.67 1 44 ILE 0.58 -0.66 1 45 GLN -0.03 -0.60 1 46 ASP -2.59 -1.01 1 47 GLN 4.22 1.86 1 48 GLU 4.50 2.47 1 49 GLU 2.50 1.11 1 50 LEU 3.87 -0.26 1 51 ARG 4.34 1.58 1 52 PHE 4.67 2.58 1 53 LEU 3.27 1.27 1 54 LEU 4.30 2.18 1 55 ASP 2.30 1.52 1 56 SER 2.51 -0.32 1 57 ILE 0.94 -0.53 1 58 LYS 1.93 0.67 1 59 GLU 0.38 -0.58 1 60 LYS 1.48 -0.37 1 61 TYR 0.51 -0.19 1 62 ASN -2.93 -2.18 1 63 SER -0.81 -1.78 1 64 PHE -4.89 -0.30 1 65 TRP -2.50 -0.15 1 66 ILE -4.46 0.98 1 68 LEU -4.14 -4.23 1 69 ARG -3.96 -3.27 1 70 TYR 0.42 -0.78 1 71 THR -2.69 -2.15 1 72 LEU -0.35 0.22 1 74 ASP 3.74 -0.71 1 75 MET 4.36 -1.95 1 76 ASN -4.74 -1.22 1 77 TRP -0.40 -0.77 1 78 LYS -4.65 0.62 1 80 ILE 3.20 -0.71 1 81 ASN 0.81 1.14 1 83 SER -0.19 -0.56 1 84 THR 0.68 0.21 1 85 LEU 0.01 -1.63 1 86 ASN -0.59 0.91 1 87 SER 1.81 0.07 1 88 ASP 2.25 0.91 1 89 VAL 2.17 -1.23 1 90 LEU -2.60 -3.72 1 91 LYS -1.11 -1.04 1 92 ILE -1.13 -0.26 1 93 THR -0.80 -0.95 1 95 ASP -0.80 -0.70 1 96 THR -0.41 -1.19 1 97 GLU -1.23 -1.14 1 98 ASN -0.98 -0.95 1 99 ASP 1.64 -0.04 1 100 SER -1.42 -2.19 1 102 ALA -3.74 -2.36 1 103 ALA -6.03 -1.14 1 104 ILE -1.47 -0.43 1 105 SER -1.91 0.69 1 107 ASP -0.53 -1.30 1 108 LYS -3.78 -2.65 1 109 VAL 0.71 -1.00 1 110 THR -3.91 -2.67 1 111 PHE -4.12 -1.15 1 112 GLU -6.16 -1.30 1 113 SER 1.07 3.46 1 115 ASN 0.81 0.07 1 116 SER 1.14 -4.26 1 117 ASP -1.40 -1.32 1 118 ASN -3.36 0.97 1 119 ARG -0.77 -2.18 1 120 TRP -3.32 -2.99 1 121 ILE -4.28 0.22 1 123 GLN -7.44 -1.99 1 124 LYS -5.28 -1.79 1 125 GLU -1.83 -0.54 1 126 LEU 0.26 -1.12 1 127 TYR -0.48 -0.83 1 128 HIS -0.83 0.39 1 129 GLU -0.35 -0.11 1 130 THR 0.26 -0.11 1 131 LEU 0.30 -0.16 1 132 SER 0.21 -0.35 1 133 ASN 0.30 -0.54 1 134 TYR 0.21 -0.17 1 135 VAL 0.47 -0.17 1 137 TYR 0.15 0.48 1 139 HIS 0.52 5.09 1 stop_ save_