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 bmr6563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _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 -0.75 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 4.86 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 TRP -6.46 -5.90 0 11 THR 4.95 4.86 1 13 ASN -3.90 -2.02 1 14 SER -0.33 3.46 1 16 ARG 3.85 4.52 1 17 SER 6.23 3.52 1 18 GLN 4.11 2.03 1 19 MET 4.44 5.09 1 20 ALA 5.01 3.22 1 21 GLU 3.55 2.98 1 23 TRP 0.02 2.36 1 24 ALA 2.36 3.42 1 25 LYS 3.92 3.46 1 26 GLN 2.44 1.95 1 27 TYR -0.29 1.68 1 28 LEU 1.83 0.36 1 30 ASP 2.05 1.92 1 31 GLU 1.67 1.40 1 32 TRP -2.60 -0.93 1 33 LYS -1.57 -1.14 1 34 VAL -1.52 -0.75 1 35 TYR -7.25 -1.61 1 36 SER -5.09 -0.35 1 37 ALA -4.99 -0.31 1 39 ILE 4.17 3.44 1 40 GLU -5.68 -2.29 1 41 ALA -1.87 -1.40 1 42 HIS -1.69 0.64 1 44 LEU 1.32 1.30 1 45 ASN -2.15 0.43 1 47 ASN 4.64 2.54 1 48 ALA 3.36 2.97 1 49 VAL 5.32 4.34 1 50 LYS 3.53 3.92 1 51 ALA 5.21 3.21 1 52 MET 4.10 0.14 1 53 LYS 4.13 3.28 1 54 GLU 2.23 2.75 1 55 VAL 0.11 -2.07 1 57 ILE -1.69 -0.40 1 58 ASP -1.74 -1.85 1 59 ILE 1.08 0.18 1 60 SER 4.33 3.90 1 61 ASN -0.46 -0.34 1 62 GLN 2.39 1.42 1 63 THR -1.16 -1.48 1 64 SER -2.94 -1.84 1 65 ASP -5.38 0.28 1 66 ILE -2.16 -1.51 1 67 ILE 2.79 2.86 1 68 ASP -4.22 -1.84 1 69 SER 4.68 4.13 1 70 ASP 3.88 3.50 1 71 ILE 5.35 3.53 1 72 LEU 2.70 3.65 1 73 ASN 1.83 2.46 1 74 ASN -1.67 0.02 1 75 ALA 1.19 0.78 1 76 ASP 1.71 3.06 1 77 LEU -3.28 0.17 1 78 VAL -3.32 -2.47 1 79 VAL -3.62 -2.77 1 80 THR -1.57 -1.97 1 81 LEU -2.31 0.03 1 84 ASP -4.81 -0.48 1 85 ALA 2.76 2.30 1 86 ALA 0.16 -0.09 1 87 ASP -0.35 1.28 1 88 LYS -0.19 -0.46 1 91 MET -0.92 -0.56 1 92 THR 0.53 -1.08 1 95 HIS 0.67 2.12 1 96 VAL -1.44 -0.91 1 97 LYS 2.55 1.64 1 98 ARG -5.33 -2.48 1 99 GLU -5.78 -2.06 1 100 HIS -3.51 0.55 1 103 PHE -4.18 0.12 1 104 ASP -0.75 0.68 1 105 ASP -2.30 -0.79 1 107 ALA 2.05 1.54 1 108 ARG -0.77 -0.77 1 109 ALA 0.90 0.67 1 110 GLN -3.79 -1.56 1 112 THR -1.86 -0.32 1 113 GLU 4.59 3.75 1 114 GLU 4.56 3.95 1 115 GLU 2.91 2.90 1 116 LYS 4.85 4.42 1 117 TRP 1.26 1.82 1 118 ALA 3.34 1.98 1 119 PHE 2.46 2.69 1 120 PHE 6.23 6.82 1 121 GLN 3.54 4.31 1 122 ARG 5.11 3.84 1 123 VAL 5.53 4.82 1 124 ARG 5.51 4.66 1 125 ASP 4.76 3.22 1 126 GLU 2.69 3.09 1 127 ILE 5.48 4.49 1 129 ASN 3.47 2.70 1 130 ARG 2.70 0.88 1 131 LEU 2.38 1.76 1 132 LYS 4.86 3.80 1 133 GLU 2.97 2.64 1 134 PHE 2.85 3.21 1 135 ALA 2.52 2.36 1 136 GLU 0.86 1.79 1 137 THR -1.31 0.80 1 139 LYS -0.62 1.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 4.78 _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 1.25 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 TRP -6.46 0.56 0 11 THR 4.95 -0.09 1 13 ASN -3.90 1.88 1 14 SER -0.33 3.79 1 16 ARG 3.85 0.67 1 17 SER 6.23 -2.71 1 18 GLN 4.11 -2.08 1 19 MET 4.44 0.65 1 20 ALA 5.01 -1.79 1 21 GLU 3.55 -0.57 1 23 TRP 0.02 2.34 1 24 ALA 2.36 1.06 1 25 LYS 3.92 -0.46 1 26 GLN 2.44 -0.49 1 27 TYR -0.29 1.97 1 28 LEU 1.83 -1.47 1 30 ASP 2.05 -0.13 1 31 GLU 1.67 -0.27 1 32 TRP -2.60 1.67 1 33 LYS -1.57 0.43 1 34 VAL -1.52 0.77 1 35 TYR -7.25 5.64 1 36 SER -5.09 4.74 1 37 ALA -4.99 4.68 1 39 ILE 4.17 -0.73 1 40 GLU -5.68 3.39 1 41 ALA -1.87 0.47 1 42 HIS -1.69 2.33 1 44 LEU 1.32 -0.02 1 45 ASN -2.15 2.58 1 47 ASN 4.64 -2.10 1 48 ALA 3.36 -0.39 1 49 VAL 5.32 -0.98 1 50 LYS 3.53 0.39 1 51 ALA 5.21 -2.00 1 52 MET 4.10 -3.96 1 53 LYS 4.13 -0.85 1 54 GLU 2.23 0.52 1 55 VAL 0.11 -2.18 1 57 ILE -1.69 1.29 1 58 ASP -1.74 -0.11 1 59 ILE 1.08 -0.90 1 60 SER 4.33 -0.43 1 61 ASN -0.46 0.12 1 62 GLN 2.39 -0.97 1 63 THR -1.16 -0.32 1 64 SER -2.94 1.10 1 65 ASP -5.38 5.66 1 66 ILE -2.16 0.65 1 67 ILE 2.79 0.07 1 68 ASP -4.22 2.38 1 69 SER 4.68 -0.55 1 70 ASP 3.88 -0.38 1 71 ILE 5.35 -1.82 1 72 LEU 2.70 0.95 1 73 ASN 1.83 0.63 1 74 ASN -1.67 1.69 1 75 ALA 1.19 -0.41 1 76 ASP 1.71 1.35 1 77 LEU -3.28 3.45 1 78 VAL -3.32 0.85 1 79 VAL -3.62 0.85 1 80 THR -1.57 -0.40 1 81 LEU -2.31 2.34 1 84 ASP -4.81 4.33 1 85 ALA 2.76 -0.46 1 86 ALA 0.16 -0.25 1 87 ASP -0.35 1.63 1 88 LYS -0.19 -0.27 1 91 MET -0.92 0.36 1 92 THR 0.53 -1.61 1 95 HIS 0.67 1.45 1 96 VAL -1.44 0.53 1 97 LYS 2.55 -0.91 1 98 ARG -5.33 2.85 1 99 GLU -5.78 3.72 1 100 HIS -3.51 4.06 1 103 PHE -4.18 4.30 1 104 ASP -0.75 1.43 1 105 ASP -2.30 1.51 1 107 ALA 2.05 -0.51 1 108 ARG -0.77 0.00 1 109 ALA 0.90 -0.23 1 110 GLN -3.79 2.23 1 112 THR -1.86 1.54 1 113 GLU 4.59 -0.84 1 114 GLU 4.56 -0.61 1 115 GLU 2.91 -0.01 1 116 LYS 4.85 -0.43 1 117 TRP 1.26 0.56 1 118 ALA 3.34 -1.36 1 119 PHE 2.46 0.23 1 120 PHE 6.23 0.59 1 121 GLN 3.54 0.77 1 122 ARG 5.11 -1.27 1 123 VAL 5.53 -0.71 1 124 ARG 5.51 -0.85 1 125 ASP 4.76 -1.54 1 126 GLU 2.69 0.40 1 127 ILE 5.48 -0.99 1 129 ASN 3.47 -0.77 1 130 ARG 2.70 -1.82 1 131 LEU 2.38 -0.62 1 132 LYS 4.86 -1.06 1 133 GLU 2.97 -0.33 1 134 PHE 2.85 0.36 1 135 ALA 2.52 -0.16 1 136 GLU 0.86 0.93 1 137 THR -1.31 2.11 1 139 LYS -0.62 1.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 SER -5.09 1.68 0 81 LEU -2.31 1.53 0 11 THR 4.95 -0.20 1 13 ASN -3.90 0.75 1 14 SER -0.33 0.83 1 16 ARG 3.85 -0.65 1 17 SER 6.23 -0.74 1 18 GLN 4.11 -0.11 1 19 MET 4.44 -0.57 1 20 ALA 5.01 -0.64 1 21 GLU 3.55 -0.54 1 23 TRP 0.02 -0.09 1 24 ALA 2.36 -0.17 1 25 LYS 3.92 -0.10 1 26 GLN 2.44 -0.02 1 27 TYR -0.29 0.32 1 28 LEU 1.83 0.33 1 30 ASP 2.05 -0.03 1 31 GLU 1.67 0.01 1 32 TRP -2.60 0.50 1 33 LYS -1.57 0.36 1 34 VAL -1.52 0.63 1 35 TYR -7.25 0.66 1 37 ALA -4.99 0.39 1 39 ILE 4.17 -0.20 1 40 GLU -5.68 0.03 1 41 ALA -1.87 0.24 1 42 HIS -1.69 0.14 1 44 LEU 1.32 -0.17 1 45 ASN -2.15 0.11 1 47 ASN 4.64 -0.17 1 48 ALA 3.36 0.00 1 49 VAL 5.32 -0.70 1 50 LYS 3.53 -0.22 1 51 ALA 5.21 0.01 1 52 MET 4.10 0.09 1 53 LYS 4.13 -0.38 1 54 GLU 2.23 -0.09 1 55 VAL 0.11 0.65 1 57 ILE -1.69 -0.10 1 58 ASP -1.74 0.03 1 59 ILE 1.08 0.40 1 60 SER 4.33 -0.59 1 61 ASN -0.46 0.24 1 62 GLN 2.39 0.02 1 63 THR -1.16 0.06 1 64 SER -2.94 0.40 1 65 ASP -5.38 0.53 1 66 ILE -2.16 0.96 1 67 ILE 2.79 -0.80 1 68 ASP -4.22 0.28 1 69 SER 4.68 -0.40 1 70 ASP 3.88 -0.10 1 71 ILE 5.35 -0.73 1 72 LEU 2.70 -0.37 1 73 ASN 1.83 -0.24 1 74 ASN -1.67 0.23 1 75 ALA 1.19 -0.28 1 76 ASP 1.71 0.10 1 77 LEU -3.28 0.39 1 78 VAL -3.32 0.79 1 79 VAL -3.62 0.70 1 80 THR -1.57 1.02 1 84 ASP -4.81 0.22 1 85 ALA 2.76 -0.10 1 86 ALA 0.16 0.10 1 87 ASP -0.35 -0.02 1 88 LYS -0.19 0.16 1 91 MET -0.92 0.05 1 92 THR 0.53 0.13 1 95 HIS 0.67 -0.02 1 96 VAL -1.44 0.01 1 97 LYS 2.55 -0.17 1 98 ARG -5.33 1.39 1 99 GLU -5.78 0.27 1 100 HIS -3.51 0.54 1 101 TRP -6.46 0.26 1 103 PHE -4.18 0.34 1 104 ASP -0.75 -0.15 1 105 ASP -2.30 -0.29 1 107 ALA 2.05 0.02 1 108 ARG -0.77 0.07 1 109 ALA 0.90 -0.55 1 110 GLN -3.79 0.29 1 112 THR -1.86 0.16 1 113 GLU 4.59 -0.28 1 114 GLU 4.56 -0.02 1 115 GLU 2.91 -0.14 1 116 LYS 4.85 -0.32 1 117 TRP 1.26 0.39 1 118 ALA 3.34 0.10 1 119 PHE 2.46 -0.29 1 120 PHE 6.23 -0.94 1 121 GLN 3.54 -1.04 1 122 ARG 5.11 -0.29 1 123 VAL 5.53 -0.35 1 124 ARG 5.51 -0.21 1 125 ASP 4.76 -0.05 1 126 GLU 2.69 -0.29 1 127 ILE 5.48 -1.03 1 129 ASN 3.47 -0.56 1 130 ARG 2.70 -0.17 1 131 LEU 2.38 -0.16 1 132 LYS 4.86 -1.25 1 133 GLU 2.97 -0.25 1 134 PHE 2.85 0.02 1 135 ALA 2.52 -0.48 1 136 GLU 0.86 -0.11 1 137 THR -1.31 0.24 1 139 LYS -0.62 0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6563_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -1.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.17 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 2.21 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU -5.78 4.08 0 11 THR 4.95 0.62 1 13 ASN -3.90 2.37 1 14 SER -0.33 -0.20 1 16 ARG 3.85 1.85 1 17 SER 6.23 0.95 1 18 GLN 4.11 3.44 1 19 MET 4.44 0.85 1 20 ALA 5.01 -0.43 1 21 GLU 3.55 0.94 1 23 TRP 0.02 -1.80 1 24 ALA 2.36 1.22 1 25 LYS 3.92 1.79 1 26 GLN 2.44 1.78 1 27 TYR -0.29 1.60 1 28 LEU 1.83 0.73 1 30 ASP 2.05 0.81 1 31 GLU 1.67 -0.66 1 32 TRP -2.60 0.03 1 33 LYS -1.57 -1.78 1 34 VAL -1.52 -1.38 1 35 TYR -7.25 -0.59 1 36 SER -5.09 -1.16 1 37 ALA -4.99 -3.52 1 39 ILE 4.17 2.16 1 40 GLU -5.68 -3.35 1 41 ALA -1.87 -0.19 1 42 HIS -1.69 1.81 1 44 LEU 1.32 -0.58 1 47 ASN 4.64 2.57 1 48 ALA 3.36 1.29 1 49 VAL 5.32 3.52 1 50 LYS 3.53 2.42 1 51 ALA 5.21 3.04 1 52 MET 4.10 2.30 1 53 LYS 4.13 3.94 1 54 GLU 2.23 1.44 1 55 VAL 0.11 -0.67 1 57 ILE -1.69 -2.57 1 58 ASP -1.74 0.88 1 59 ILE 1.08 0.19 1 60 SER 4.33 -0.36 1 61 ASN -0.46 0.90 1 62 GLN 2.39 -0.96 1 63 THR -1.16 0.38 1 64 SER -2.94 -0.99 1 65 ASP -5.38 -1.10 1 66 ILE -2.16 1.15 1 67 ILE 2.79 -1.75 1 68 ASP -4.22 0.61 1 69 SER 4.68 1.11 1 70 ASP 3.88 2.32 1 71 ILE 5.35 1.62 1 72 LEU 2.70 -0.70 1 73 ASN 1.83 1.43 1 74 ASN -1.67 -1.33 1 75 ALA 1.19 -1.39 1 76 ASP 1.71 0.59 1 77 LEU -3.28 -2.03 1 78 VAL -3.32 -2.64 1 79 VAL -3.62 0.52 1 80 THR -1.57 2.06 1 81 LEU -2.31 0.30 1 84 ASP -4.81 1.14 1 85 ALA 2.76 0.64 1 86 ALA 0.16 0.64 1 87 ASP -0.35 0.41 1 88 LYS -0.19 -2.23 1 91 MET -0.92 -0.22 1 95 HIS 0.67 0.90 1 96 VAL -1.44 -0.70 1 97 LYS 2.55 -2.57 1 98 ARG -5.33 0.05 1 100 HIS -3.51 0.12 1 101 TRP -6.46 -3.86 1 103 PHE -4.18 -0.41 1 104 ASP -0.75 -1.65 1 107 ALA 2.05 0.83 1 108 ARG -0.77 -0.33 1 109 ALA 0.90 -0.89 1 110 GLN -3.79 -1.09 1 112 THR -1.86 0.96 1 113 GLU 4.59 3.27 1 114 GLU 4.56 3.41 1 115 GLU 2.91 -2.73 1 116 LYS 4.85 2.52 1 117 TRP 1.26 1.55 1 118 ALA 3.34 2.70 1 119 PHE 2.46 3.22 1 120 PHE 6.23 1.44 1 121 GLN 3.54 0.71 1 122 ARG 5.11 1.29 1 123 VAL 5.53 1.29 1 124 ARG 5.51 3.53 1 125 ASP 4.76 2.39 1 126 GLU 2.69 4.01 1 127 ILE 5.48 1.24 1 129 ASN 3.47 2.72 1 130 ARG 2.70 2.64 1 131 LEU 2.38 0.64 1 132 LYS 4.86 1.89 1 133 GLU 2.97 3.56 1 134 PHE 2.85 2.72 1 135 ALA 2.52 1.62 1 136 GLU 0.86 1.91 1 137 THR -1.31 1.42 1 stop_ save_