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 bmr4719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.68 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 5.49 _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 37 LEU 6.79 1.45 0 10 ARG 5.24 4.17 1 11 ARG 4.37 3.43 1 12 LYS 3.95 3.27 1 13 LEU 2.38 2.16 1 14 ALA 4.23 2.90 1 15 ASP 3.71 3.34 1 16 ILE 5.08 4.44 1 17 ILE 5.21 5.18 1 18 HIS 3.82 5.17 1 19 HIS 4.04 5.04 1 20 TRP 4.31 5.05 1 21 ASN 2.82 2.59 1 22 ALA 1.38 0.91 1 23 ASN -2.38 -0.66 1 24 ARG 0.68 -0.09 1 25 LEU 1.55 1.04 1 27 LEU 2.12 1.07 1 30 ILE -0.59 0.20 1 31 SER 0.05 0.74 1 32 GLN 0.63 -0.02 1 34 THR -2.25 -0.98 1 35 GLU 3.76 2.97 1 36 ASP 0.13 -0.68 1 38 GLU -0.88 -0.43 1 39 PHE -2.96 -2.22 1 40 HIS -4.82 0.20 1 42 VAL 2.72 0.61 1 43 MET 1.04 -0.05 1 44 ARG -2.50 -1.06 1 45 PHE -4.22 -0.47 1 46 TYR -3.02 -1.12 1 47 PHE -2.85 -1.54 1 48 GLN -1.10 -0.33 1 49 ASP -2.02 -1.13 1 50 LYS 2.40 1.85 1 51 ALA 1.62 1.13 1 52 ALA -0.84 -0.31 1 54 ASN -1.83 -0.91 1 55 PHE -1.43 -0.40 1 56 ALA -3.69 -1.12 1 57 THR -4.48 -2.18 1 58 LYS -5.36 -1.63 1 60 ILE -5.60 -2.07 1 61 ARG 1.49 0.82 1 62 VAL -2.83 -0.74 1 63 SER -1.89 -1.81 1 64 SER 6.50 2.91 1 65 THR 0.35 -0.34 1 66 ALA -0.54 -0.42 1 67 THR -4.32 -1.68 1 68 THR 5.89 5.07 1 69 GLN 4.22 3.48 1 70 ASP 3.61 3.28 1 71 VAL 5.89 4.51 1 72 ILE 6.89 5.95 1 73 GLU 3.92 3.03 1 74 THR 5.96 4.52 1 75 LEU 2.36 2.16 1 76 ALA 3.71 2.54 1 77 GLU 1.81 1.46 1 78 LYS 1.75 0.72 1 79 PHE 1.30 0.77 1 80 ARG 3.84 2.77 1 82 ASP 0.18 0.35 1 83 MET 0.17 0.12 1 84 ARG 1.59 0.81 1 85 MET 0.55 0.10 1 86 LEU 0.42 0.29 1 87 SER -0.48 -0.51 1 88 SER 0.07 0.17 1 90 LYS -1.43 -1.15 1 91 TYR -3.98 -0.85 1 92 SER -4.01 -0.70 1 93 LEU -5.13 -1.59 1 94 TYR -4.26 -1.60 1 95 GLU -4.48 -2.60 1 96 VAL -0.35 0.53 1 97 HIS -5.38 -1.33 1 98 VAL 5.73 3.64 1 99 SER 0.02 -0.28 1 101 GLU -7.21 -2.86 1 102 ARG -4.44 -0.42 1 103 ARG 0.62 -0.03 1 104 LEU 1.89 1.56 1 105 ASP -1.40 -0.20 1 106 ILE 3.11 3.30 1 107 ASP -0.66 -1.03 1 108 GLU -0.50 1.17 1 109 LYS -0.04 -1.54 1 111 LEU 2.59 2.53 1 112 VAL 5.15 3.70 1 113 VAL 6.24 4.13 1 114 GLN 1.64 2.04 1 115 LEU 2.14 1.29 1 116 ASN 0.61 0.48 1 117 TRP -2.07 -1.72 1 118 ASN -0.17 1.78 1 123 GLU 0.07 -1.10 1 125 ARG -5.69 -2.34 1 126 PHE -2.86 -0.09 1 127 VAL -4.80 -1.73 1 128 LEU -3.16 -1.30 1 129 LYS -3.76 -0.89 1 130 ASN -0.95 -0.87 1 131 GLU 0.08 0.19 1 132 ASN 0.73 0.28 1 133 ASP 0.20 0.12 1 134 ALA -0.35 -0.29 1 135 ILE 0.24 -0.08 1 137 ALA -0.32 -0.26 1 138 LYS -0.22 -0.14 1 139 LYS -0.28 -0.20 1 140 ALA -0.09 -0.02 1 141 GLN 0.64 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _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 37 LEU 6.79 -5.34 0 10 ARG 5.24 -1.07 1 11 ARG 4.37 -0.94 1 12 LYS 3.95 -0.68 1 13 LEU 2.38 -0.22 1 14 ALA 4.23 -1.33 1 15 ASP 3.71 -0.37 1 16 ILE 5.08 -0.64 1 17 ILE 5.21 -0.03 1 18 HIS 3.82 1.35 1 19 HIS 4.04 1.00 1 20 TRP 4.31 0.74 1 21 ASN 2.82 -0.23 1 22 ALA 1.38 -0.47 1 23 ASN -2.38 1.72 1 24 ARG 0.68 -0.77 1 25 LEU 1.55 -0.51 1 27 LEU 2.12 -1.05 1 30 ILE -0.59 0.79 1 31 SER 0.05 0.69 1 32 GLN 0.63 -0.65 1 34 THR -2.25 1.27 1 35 GLU 3.76 -0.79 1 36 ASP 0.13 -0.81 1 38 GLU -0.88 0.45 1 39 PHE -2.96 0.74 1 40 HIS -4.82 5.02 1 42 VAL 2.72 -2.11 1 43 MET 1.04 -1.09 1 44 ARG -2.50 1.44 1 45 PHE -4.22 3.75 1 46 TYR -3.02 1.90 1 47 PHE -2.85 1.31 1 48 GLN -1.10 0.77 1 49 ASP -2.02 0.89 1 50 LYS 2.40 -0.55 1 51 ALA 1.62 -0.49 1 52 ALA -0.84 0.53 1 54 ASN -1.83 0.92 1 55 PHE -1.43 1.03 1 56 ALA -3.69 2.57 1 57 THR -4.48 2.30 1 58 LYS -5.36 3.73 1 60 ILE -5.60 3.53 1 61 ARG 1.49 -0.67 1 62 VAL -2.83 2.09 1 63 SER -1.89 0.08 1 64 SER 6.50 -3.59 1 65 THR 0.35 -0.69 1 66 ALA -0.54 0.12 1 67 THR -4.32 2.64 1 68 THR 5.89 -0.82 1 69 GLN 4.22 -0.74 1 70 ASP 3.61 -0.33 1 71 VAL 5.89 -1.38 1 72 ILE 6.89 -0.94 1 73 GLU 3.92 -0.89 1 74 THR 5.96 -1.44 1 75 LEU 2.36 -0.20 1 76 ALA 3.71 -1.17 1 77 GLU 1.81 -0.35 1 78 LYS 1.75 -1.03 1 79 PHE 1.30 -0.53 1 80 ARG 3.84 -1.07 1 82 ASP 0.18 0.17 1 83 MET 0.17 -0.05 1 84 ARG 1.59 -0.78 1 85 MET 0.55 -0.45 1 86 LEU 0.42 -0.13 1 87 SER -0.48 -0.03 1 88 SER 0.07 0.10 1 90 LYS -1.43 0.28 1 91 TYR -3.98 3.13 1 92 SER -4.01 3.31 1 93 LEU -5.13 3.54 1 94 TYR -4.26 2.66 1 95 GLU -4.48 1.88 1 96 VAL -0.35 0.88 1 97 HIS -5.38 4.05 1 98 VAL 5.73 -2.09 1 99 SER 0.02 -0.30 1 101 GLU -7.21 4.35 1 102 ARG -4.44 4.02 1 103 ARG 0.62 -0.65 1 104 LEU 1.89 -0.33 1 105 ASP -1.40 1.20 1 106 ILE 3.11 0.19 1 107 ASP -0.66 -0.37 1 108 GLU -0.50 1.67 1 109 LYS -0.04 -1.50 1 111 LEU 2.59 -0.06 1 112 VAL 5.15 -1.45 1 113 VAL 6.24 -2.11 1 114 GLN 1.64 0.40 1 115 LEU 2.14 -0.85 1 116 ASN 0.61 -0.13 1 117 TRP -2.07 0.35 1 118 ASN -0.17 1.95 1 123 GLU 0.07 -1.17 1 125 ARG -5.69 3.35 1 126 PHE -2.86 2.77 1 127 VAL -4.80 3.07 1 128 LEU -3.16 1.86 1 129 LYS -3.76 2.87 1 130 ASN -0.95 0.08 1 131 GLU 0.08 0.11 1 132 ASN 0.73 -0.45 1 133 ASP 0.20 -0.08 1 134 ALA -0.35 0.06 1 135 ILE 0.24 -0.32 1 137 ALA -0.32 0.06 1 138 LYS -0.22 0.08 1 139 LYS -0.28 0.08 1 140 ALA -0.09 0.07 1 141 GLN 0.64 0.92 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 27 LEU 2.12 -1.26 0 10 ARG 5.24 -0.62 1 11 ARG 4.37 -0.40 1 12 LYS 3.95 -0.22 1 13 LEU 2.38 -0.24 1 14 ALA 4.23 -0.56 1 15 ASP 3.71 -0.04 1 16 ILE 5.08 -0.28 1 17 ILE 5.21 -0.65 1 18 HIS 3.82 -0.28 1 19 HIS 4.04 -0.45 1 20 TRP 4.31 -0.74 1 21 ASN 2.82 -0.24 1 22 ALA 1.38 -0.12 1 23 ASN -2.38 0.14 1 24 ARG 0.68 -0.71 1 25 LEU 1.55 -0.68 1 30 ILE -0.59 0.50 1 31 SER 0.05 -0.22 1 32 GLN 0.63 -0.37 1 34 THR -2.25 0.25 1 35 GLU 3.76 -0.38 1 36 ASP 0.13 0.05 1 37 LEU 6.79 -0.70 1 38 GLU -0.88 -0.25 1 39 PHE -2.96 0.02 1 40 HIS -4.82 0.74 1 42 VAL 2.72 0.13 1 43 MET 1.04 0.08 1 44 ARG -2.50 0.45 1 45 PHE -4.22 0.68 1 46 TYR -3.02 0.78 1 47 PHE -2.85 0.55 1 48 GLN -1.10 -0.18 1 49 ASP -2.02 -0.08 1 50 LYS 2.40 -0.27 1 51 ALA 1.62 -0.13 1 52 ALA -0.84 -0.06 1 54 ASN -1.83 0.11 1 55 PHE -1.43 0.60 1 56 ALA -3.69 0.51 1 57 THR -4.48 1.32 1 58 LYS -5.36 0.30 1 60 ILE -5.60 0.46 1 61 ARG 1.49 -0.09 1 62 VAL -2.83 0.11 1 63 SER -1.89 0.36 1 64 SER 6.50 -1.07 1 65 THR 0.35 -0.28 1 66 ALA -0.54 0.17 1 67 THR -4.32 0.78 1 68 THR 5.89 -0.91 1 70 ASP 3.61 -0.36 1 71 VAL 5.89 -0.76 1 72 ILE 6.89 -0.93 1 73 GLU 3.92 -0.37 1 74 THR 5.96 -0.41 1 75 LEU 2.36 0.01 1 76 ALA 3.71 -0.61 1 77 GLU 1.81 -0.28 1 78 LYS 1.75 -0.28 1 79 PHE 1.30 0.05 1 80 ARG 3.84 -0.22 1 82 ASP 0.18 -0.04 1 83 MET 0.17 0.02 1 84 ARG 1.59 -0.06 1 85 MET 0.55 -0.01 1 86 LEU 0.42 -0.01 1 87 SER -0.48 -0.02 1 88 SER 0.07 -0.28 1 90 LYS -1.43 0.06 1 91 TYR -3.98 0.98 1 92 SER -4.01 0.21 1 93 LEU -5.13 1.07 1 94 TYR -4.26 0.87 1 95 GLU -4.48 0.64 1 96 VAL -0.35 0.20 1 97 HIS -5.38 0.03 1 98 VAL 5.73 -0.33 1 99 SER 0.02 -0.07 1 101 GLU -7.21 1.32 1 102 ARG -4.44 0.38 1 103 ARG 0.62 -0.83 1 104 LEU 1.89 0.05 1 105 ASP -1.40 0.15 1 106 ILE 3.11 -0.26 1 107 ASP -0.66 0.10 1 108 GLU -0.50 -0.10 1 109 LYS -0.04 0.73 1 111 LEU 2.59 -0.42 1 112 VAL 5.15 -0.67 1 113 VAL 6.24 -0.59 1 114 GLN 1.64 -0.38 1 115 LEU 2.14 0.01 1 116 ASN 0.61 -0.17 1 117 TRP -2.07 0.46 1 118 ASN -0.17 -0.31 1 125 ARG -5.69 0.68 1 126 PHE -2.86 1.13 1 127 VAL -4.80 1.02 1 128 LEU -3.16 0.98 1 129 LYS -3.76 0.73 1 130 ASN -0.95 0.19 1 131 GLU 0.08 0.03 1 132 ASN 0.73 -0.02 1 133 ASP 0.20 -0.06 1 134 ALA -0.35 -0.05 1 135 ILE 0.24 -0.03 1 137 ALA -0.32 0.01 1 138 LYS -0.22 -0.06 1 139 LYS -0.28 -0.02 1 140 ALA -0.09 0.06 1 141 GLN 0.64 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4719_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 2.28 _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 37 LEU 6.79 -3.21 0 10 ARG 5.24 1.42 1 11 ARG 4.37 2.73 1 12 LYS 3.95 3.03 1 13 LEU 2.38 0.59 1 14 ALA 4.23 2.39 1 15 ASP 3.71 2.82 1 16 ILE 5.08 3.48 1 17 ILE 5.21 1.17 1 18 HIS 3.82 5.07 1 19 HIS 4.04 3.97 1 20 TRP 4.31 3.18 1 21 ASN 2.82 3.17 1 22 ALA 1.38 -0.08 1 23 ASN -2.38 -0.55 1 24 ARG 0.68 -1.67 1 25 LEU 1.55 -0.38 1 30 ILE -0.59 0.27 1 31 SER 0.05 -3.01 1 34 THR -2.25 2.31 1 35 GLU 3.76 0.01 1 36 ASP 0.13 -1.08 1 38 GLU -0.88 -1.50 1 39 PHE -2.96 -3.43 1 40 HIS -4.82 0.26 1 42 VAL 2.72 -0.64 1 43 MET 1.04 -3.52 1 44 ARG -2.50 -2.03 1 45 PHE -4.22 -0.98 1 46 TYR -3.02 -0.88 1 47 PHE -2.85 -1.38 1 48 GLN -1.10 -2.68 1 49 ASP -2.02 0.19 1 50 LYS 2.40 0.76 1 51 ALA 1.62 0.76 1 52 ALA -0.84 0.51 1 54 ASN -1.83 -0.90 1 55 PHE -1.43 -0.08 1 56 ALA -3.69 -1.05 1 57 THR -4.48 -0.08 1 58 LYS -5.36 -1.66 1 60 ILE -5.60 -2.62 1 61 ARG 1.49 -1.25 1 62 VAL -2.83 -1.96 1 63 SER -1.89 2.12 1 64 SER 6.50 -0.70 1 65 THR 0.35 0.30 1 66 ALA -0.54 -0.24 1 67 THR -4.32 2.00 1 69 GLN 4.22 1.43 1 70 ASP 3.61 3.02 1 71 VAL 5.89 1.27 1 72 ILE 6.89 0.85 1 73 GLU 3.92 3.33 1 74 THR 5.96 2.11 1 75 LEU 2.36 0.67 1 76 ALA 3.71 1.84 1 77 GLU 1.81 1.76 1 78 LYS 1.75 1.67 1 79 PHE 1.30 0.05 1 82 ASP 0.18 0.25 1 83 MET 0.17 0.16 1 84 ARG 1.59 0.28 1 85 MET 0.55 -0.13 1 86 LEU 0.42 -0.41 1 87 SER -0.48 1.74 1 90 LYS -1.43 -1.36 1 91 TYR -3.98 0.54 1 92 SER -4.01 -3.40 1 93 LEU -5.13 -3.51 1 94 TYR -4.26 0.32 1 95 GLU -4.48 -1.26 1 96 VAL -0.35 -2.00 1 98 VAL 5.73 1.06 1 99 SER 0.02 -0.16 1 101 GLU -7.21 -0.97 1 102 ARG -4.44 -2.39 1 103 ARG 0.62 -0.43 1 104 LEU 1.89 0.42 1 105 ASP -1.40 3.05 1 106 ILE 3.11 -1.19 1 107 ASP -0.66 1.19 1 108 GLU -0.50 -1.66 1 111 LEU 2.59 0.98 1 112 VAL 5.15 2.01 1 113 VAL 6.24 1.77 1 114 GLN 1.64 1.97 1 115 LEU 2.14 -1.44 1 116 ASN 0.61 1.18 1 117 TRP -2.07 -1.10 1 123 GLU 0.07 -0.14 1 125 ARG -5.69 -1.82 1 126 PHE -2.86 -0.20 1 127 VAL -4.80 -1.35 1 128 LEU -3.16 -2.36 1 129 LYS -3.76 -0.85 1 130 ASN -0.95 0.87 1 131 GLU 0.08 0.09 1 132 ASN 0.73 0.11 1 133 ASP 0.20 -0.41 1 134 ALA -0.35 -0.32 1 137 ALA -0.32 0.05 1 138 LYS -0.22 -0.24 1 139 LYS -0.28 -0.51 1 140 ALA -0.09 -1.17 1 stop_ save_