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 bmr19302_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -3.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.01 _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 9.44 _LACS_plot.Line_2_terminator_val_y_2 7.05 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 SER -2.04 3.86 0 12 VAL -1.06 -0.45 1 13 HIS -0.31 0.73 1 14 VAL -1.09 -0.71 1 16 LEU 1.89 1.34 1 18 HIS -3.68 -0.99 1 19 ILE -3.97 -0.73 1 20 VAL -1.24 -0.88 1 21 ALA -8.53 -3.33 1 22 ASN 0.27 1.19 1 23 GLU 2.11 2.57 1 24 LYS 4.43 2.18 1 25 TRP -0.69 -0.78 1 26 ARG 4.75 3.15 1 28 SER -2.30 -0.25 1 29 GLN 5.45 3.98 1 30 LEU 4.16 4.14 1 31 ALA 3.22 2.85 1 32 GLN 4.09 3.37 1 33 GLU 2.03 1.35 1 34 MET 1.93 3.08 1 35 GLN 3.36 2.34 1 37 LYS -1.19 0.97 1 38 ILE -4.88 -2.05 1 39 LYS -0.24 -0.33 1 40 LEU -2.19 -0.49 1 41 ILE -2.96 -0.89 1 42 PHE -2.01 0.02 1 43 GLU -4.94 -1.47 1 44 ASP -1.73 -0.46 1 46 LEU -2.36 -0.91 1 49 ASP 2.11 4.78 1 50 PHE -5.86 -2.18 1 51 TYR 0.11 1.20 1 52 LEU -0.25 0.22 1 53 SER -2.30 -1.46 1 54 ASN 3.95 2.81 1 55 ARG -1.20 -0.41 1 58 ILE -5.31 -2.57 1 59 LEU -1.47 -1.34 1 60 TYR -4.05 -1.21 1 61 VAL -0.96 -0.56 1 62 THR -3.48 -1.15 1 63 GLU 3.09 3.90 1 64 ALA 3.61 2.41 1 65 ASP 3.20 3.21 1 66 LEU 2.54 1.84 1 67 VAL 3.12 2.19 1 68 ALA 1.29 1.04 1 70 ASN 0.05 -0.49 1 72 TYR 2.89 1.39 1 73 ARG 5.59 3.98 1 74 LYS 4.63 3.57 1 75 ARG 3.39 3.60 1 76 LEU 5.68 4.40 1 77 VAL 5.60 4.40 1 78 ARG 4.32 3.34 1 79 VAL 6.14 4.57 1 80 ARG 4.02 2.26 1 81 ASN 0.99 0.45 1 82 SER 0.62 0.75 1 83 ASN 1.47 1.48 1 84 ASN 1.00 0.65 1 85 LEU -3.51 -1.01 1 86 LYS -1.75 -1.27 1 88 ILE -2.01 -0.33 1 89 VAL -0.00 -0.98 1 90 VAL -2.49 -1.72 1 91 VAL -7.75 -5.30 1 92 GLU -0.39 -0.86 1 93 LYS -1.15 -0.74 1 94 THR -5.88 -3.12 1 95 ARG 4.66 3.24 1 96 MET 1.40 1.22 1 97 SER -1.12 0.18 1 98 GLU 4.68 3.88 1 99 GLN 3.69 2.43 1 100 TYR -0.67 0.13 1 101 PHE 9.45 7.79 1 103 ALA 2.50 1.82 1 104 LEU 4.38 3.13 1 105 GLN 5.81 4.29 1 106 LYS 4.86 4.14 1 107 PHE 1.75 2.63 1 108 THR 6.60 6.09 1 109 VAL 3.48 2.91 1 110 LEU 3.45 2.03 1 111 ASP 4.81 3.04 1 112 LEU 0.67 0.41 1 114 MET -3.02 -0.10 1 115 VAL 0.43 0.72 1 116 LEU -4.87 -1.76 1 117 LEU -4.16 -2.04 1 119 VAL -7.00 -3.05 1 120 ALA -0.56 0.16 1 121 SER -3.89 -1.63 1 122 GLN 4.12 3.74 1 123 MET 5.00 3.40 1 124 GLU 3.05 3.09 1 125 ALA 1.70 1.83 1 128 LEU 3.21 2.76 1 129 VAL 7.46 5.46 1 130 ILE 5.32 3.49 1 131 GLN 4.91 3.61 1 132 LEU 3.38 2.88 1 133 VAL -3.75 -4.17 1 134 GLN 1.23 1.46 1 135 GLU 1.98 1.67 1 136 GLN 1.62 1.06 1 137 THR 3.33 2.81 1 138 LYS 0.34 0.13 1 139 GLU -1.63 -1.95 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19302_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 5.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.99 _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 9.44 _LACS_plot.Line_2_terminator_val_y_2 -2.39 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 SER -2.04 5.90 0 12 VAL -1.06 0.61 1 13 HIS -0.31 1.04 1 14 VAL -1.09 0.38 1 16 LEU 1.89 -0.55 1 18 HIS -3.68 2.69 1 19 ILE -3.97 3.24 1 20 VAL -1.24 0.36 1 21 ALA -8.53 5.20 1 22 ASN 0.27 0.92 1 23 GLU 2.11 0.46 1 24 LYS 4.43 -2.25 1 25 TRP -0.69 -0.09 1 26 ARG 4.75 -1.60 1 28 SER -2.30 2.05 1 29 GLN 5.45 -1.47 1 30 LEU 4.16 -0.02 1 31 ALA 3.22 -0.37 1 32 GLN 4.09 -0.72 1 33 GLU 2.03 -0.68 1 34 MET 1.93 1.15 1 35 GLN 3.36 -1.02 1 37 LYS -1.19 2.16 1 38 ILE -4.88 2.83 1 39 LYS -0.24 -0.09 1 40 LEU -2.19 1.70 1 41 ILE -2.96 2.07 1 42 PHE -2.01 2.03 1 43 GLU -4.94 3.47 1 44 ASP -1.73 1.27 1 46 LEU -2.36 1.45 1 49 ASP 2.11 2.67 1 50 PHE -5.86 3.68 1 51 TYR 0.11 1.09 1 52 LEU -0.25 0.47 1 53 SER -2.30 0.84 1 54 ASN 3.95 -1.14 1 55 ARG -1.20 0.79 1 58 ILE -5.31 2.74 1 59 LEU -1.47 0.13 1 60 TYR -4.05 2.84 1 61 VAL -0.96 0.40 1 62 THR -3.48 2.33 1 63 GLU 3.09 0.81 1 64 ALA 3.61 -1.20 1 65 ASP 3.20 0.01 1 66 LEU 2.54 -0.70 1 67 VAL 3.12 -0.93 1 68 ALA 1.29 -0.25 1 70 ASN 0.05 -0.54 1 72 TYR 2.89 -1.50 1 73 ARG 5.59 -1.61 1 74 LYS 4.63 -1.06 1 75 ARG 3.39 0.21 1 76 LEU 5.68 -1.28 1 77 VAL 5.60 -1.20 1 78 ARG 4.32 -0.98 1 79 VAL 6.14 -1.57 1 80 ARG 4.02 -1.76 1 81 ASN 0.99 -0.54 1 82 SER 0.62 0.13 1 83 ASN 1.47 0.01 1 84 ASN 1.00 -0.35 1 85 LEU -3.51 2.50 1 86 LYS -1.75 0.48 1 88 ILE -2.01 1.68 1 89 VAL -0.00 -0.98 1 90 VAL -2.49 0.77 1 91 VAL -7.75 2.45 1 92 GLU -0.39 -0.47 1 93 LYS -1.15 0.41 1 94 THR -5.88 2.76 1 95 ARG 4.66 -1.42 1 96 MET 1.40 -0.18 1 97 SER -1.12 1.30 1 98 GLU 4.68 -0.80 1 99 GLN 3.69 -1.26 1 100 TYR -0.67 0.80 1 101 PHE 9.45 -1.66 1 103 ALA 2.50 -0.68 1 104 LEU 4.38 -1.25 1 105 GLN 5.81 -1.52 1 106 LYS 4.86 -0.72 1 107 PHE 1.75 0.88 1 108 THR 6.60 -0.51 1 109 VAL 3.48 -0.57 1 110 LEU 3.45 -1.42 1 111 ASP 4.81 -1.77 1 112 LEU 0.67 -0.26 1 114 MET -3.02 2.92 1 115 VAL 0.43 0.29 1 116 LEU -4.87 3.11 1 117 LEU -4.16 2.12 1 119 VAL -7.00 3.95 1 120 ALA -0.56 0.72 1 121 SER -3.89 2.26 1 122 GLN 4.12 -0.38 1 123 MET 5.00 -1.60 1 124 GLU 3.05 0.04 1 125 ALA 1.70 0.13 1 128 LEU 3.21 -0.45 1 129 VAL 7.46 -2.00 1 130 ILE 5.32 -1.83 1 131 GLN 4.91 -1.30 1 132 LEU 3.38 -0.50 1 133 VAL -3.75 -0.42 1 134 GLN 1.23 0.23 1 135 GLU 1.98 -0.31 1 136 GLN 1.62 -0.56 1 137 THR 3.33 -0.52 1 138 LYS 0.34 -0.21 1 139 GLU -1.63 -0.32 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19302_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 -1.05 _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 126 SER -2.04 -0.94 0 12 VAL -1.06 -0.36 1 13 HIS -0.31 -0.34 1 14 VAL -1.09 -0.50 1 16 LEU 1.89 -0.27 1 18 HIS -3.68 0.66 1 19 ILE -3.97 0.20 1 20 VAL -1.24 0.61 1 21 ALA -8.53 0.77 1 22 ASN 0.27 0.06 1 23 GLU 2.11 -0.42 1 24 LYS 4.43 -0.42 1 25 TRP -0.69 -0.33 1 26 ARG 4.75 -1.04 1 28 SER -2.30 -0.11 1 29 GLN 5.45 -0.40 1 30 LEU 4.16 -0.69 1 31 ALA 3.22 -0.53 1 32 GLN 4.09 -0.47 1 33 GLU 2.03 -0.42 1 34 MET 1.93 -0.57 1 35 GLN 3.36 -0.12 1 37 LYS -1.19 -0.07 1 38 ILE -4.88 -0.03 1 39 LYS -0.24 -0.13 1 40 LEU -2.19 0.33 1 41 ILE -2.96 -0.08 1 42 PHE -2.01 0.88 1 43 GLU -4.94 0.29 1 44 ASP -1.73 0.07 1 46 LEU -2.36 0.02 1 49 ASP 2.11 -0.30 1 50 PHE -5.86 0.87 1 51 TYR 0.11 0.17 1 52 LEU -0.25 -0.11 1 53 SER -2.30 -0.20 1 54 ASN 3.95 -0.35 1 55 ARG -1.20 0.27 1 58 ILE -5.31 1.01 1 59 LEU -1.47 0.38 1 60 TYR -4.05 0.56 1 61 VAL -0.96 0.11 1 62 THR -3.48 -0.33 1 63 GLU 3.09 -0.57 1 64 ALA 3.61 -0.32 1 65 ASP 3.20 -0.61 1 66 LEU 2.54 -0.53 1 67 VAL 3.12 -1.03 1 68 ALA 1.29 -0.33 1 70 ASN 0.05 0.12 1 72 TYR 2.89 -0.37 1 73 ARG 5.59 -1.08 1 74 LYS 4.63 -0.59 1 75 ARG 3.39 -0.59 1 76 LEU 5.68 -0.76 1 77 VAL 5.60 -0.88 1 78 ARG 4.32 -0.47 1 79 VAL 6.14 -0.69 1 80 ARG 4.02 -0.38 1 81 ASN 0.99 -0.21 1 82 SER 0.62 -0.12 1 83 ASN 1.47 -0.34 1 84 ASN 1.00 -0.32 1 85 LEU -3.51 0.18 1 86 LYS -1.75 0.08 1 88 ILE -2.01 -0.09 1 89 VAL -0.00 0.64 1 90 VAL -2.49 0.68 1 91 VAL -7.75 0.90 1 92 GLU -0.39 -0.14 1 93 LYS -1.15 -0.29 1 94 THR -5.88 0.25 1 95 ARG 4.66 -0.38 1 96 MET 1.40 -0.15 1 97 SER -1.12 0.18 1 98 GLU 4.68 -0.66 1 99 GLN 3.69 -0.33 1 100 TYR -0.67 -0.04 1 101 PHE 9.45 -0.79 1 103 ALA 2.50 -0.28 1 104 LEU 4.38 -0.18 1 105 GLN 5.81 -0.89 1 106 LYS 4.86 -0.57 1 107 PHE 1.75 -0.24 1 108 THR 6.60 -1.15 1 109 VAL 3.48 -0.17 1 110 LEU 3.45 -0.18 1 111 ASP 4.81 -0.31 1 112 LEU 0.67 -0.30 1 114 MET -3.02 -0.04 1 115 VAL 0.43 -0.40 1 116 LEU -4.87 0.84 1 117 LEU -4.16 0.24 1 119 VAL -7.00 0.39 1 120 ALA -0.56 0.01 1 121 SER -3.89 0.05 1 122 GLN 4.12 -0.28 1 123 MET 5.00 -0.53 1 124 GLU 3.05 -0.45 1 125 ALA 1.70 -0.49 1 128 LEU 3.21 -0.39 1 129 VAL 7.46 -1.08 1 130 ILE 5.32 -0.88 1 131 GLN 4.91 -0.49 1 132 LEU 3.38 -0.49 1 133 VAL -3.75 -0.12 1 134 GLN 1.23 -0.40 1 135 GLU 1.98 -0.45 1 136 GLN 1.62 -0.35 1 137 THR 3.33 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19302_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _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 9.44 _LACS_plot.Line_2_terminator_val_y_2 2.87 _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 59 LEU -1.47 -5.32 0 101 PHE 9.45 -1.28 0 12 VAL -1.06 -1.70 1 13 HIS -0.31 -0.50 1 14 VAL -1.09 -1.31 1 16 LEU 1.89 3.08 1 18 HIS -3.68 -0.91 1 19 ILE -3.97 -1.95 1 20 VAL -1.24 -2.20 1 21 ALA -8.53 -2.41 1 22 ASN 0.27 1.14 1 23 GLU 2.11 -0.25 1 24 LYS 4.43 0.18 1 25 TRP -0.69 1.18 1 26 ARG 4.75 1.21 1 28 SER -2.30 0.11 1 29 GLN 5.45 2.22 1 30 LEU 4.16 0.07 1 31 ALA 3.22 2.11 1 32 GLN 4.09 3.16 1 33 GLU 2.03 1.89 1 34 MET 1.93 0.69 1 35 GLN 3.36 0.54 1 37 LYS -1.19 -1.21 1 38 ILE -4.88 -3.46 1 39 LYS -0.24 -1.85 1 40 LEU -2.19 -1.13 1 41 ILE -2.96 -2.04 1 42 PHE -2.01 0.51 1 43 GLU -4.94 -1.39 1 44 ASP -1.73 1.01 1 46 LEU -2.36 -0.19 1 49 ASP 2.11 -2.22 1 50 PHE -5.86 -0.51 1 51 TYR 0.11 -1.47 1 52 LEU -0.25 -1.83 1 53 SER -2.30 -1.47 1 54 ASN 3.95 -0.11 1 55 ARG -1.20 -0.79 1 58 ILE -5.31 -0.69 1 60 TYR -4.05 -0.99 1 61 VAL -0.96 -1.87 1 62 THR -3.48 0.42 1 63 GLU 3.09 0.59 1 64 ALA 3.61 2.68 1 65 ASP 3.20 1.59 1 66 LEU 2.54 1.29 1 67 VAL 3.12 1.13 1 68 ALA 1.29 0.33 1 70 ASN 0.05 2.57 1 72 TYR 2.89 0.31 1 73 ARG 5.59 1.31 1 74 LYS 4.63 2.56 1 75 ARG 3.39 0.88 1 76 LEU 5.68 0.72 1 77 VAL 5.60 1.04 1 78 ARG 4.32 3.18 1 79 VAL 6.14 1.60 1 80 ARG 4.02 1.59 1 81 ASN 0.99 0.13 1 82 SER 0.62 0.64 1 83 ASN 1.47 0.06 1 84 ASN 1.00 -1.59 1 85 LEU -3.51 -2.20 1 86 LYS -1.75 -1.39 1 88 ILE -2.01 -2.15 1 89 VAL -0.00 -2.09 1 90 VAL -2.49 -2.65 1 91 VAL -7.75 -3.06 1 92 GLU -0.39 -2.94 1 93 LYS -1.15 -3.02 1 94 THR -5.88 0.23 1 95 ARG 4.66 2.32 1 96 MET 1.40 1.01 1 97 SER -1.12 2.14 1 98 GLU 4.68 2.39 1 99 GLN 3.69 0.40 1 100 TYR -0.67 0.23 1 103 ALA 2.50 2.89 1 104 LEU 4.38 1.69 1 105 GLN 5.81 0.98 1 106 LYS 4.86 1.23 1 107 PHE 1.75 0.29 1 108 THR 6.60 -0.04 1 109 VAL 3.48 1.71 1 110 LEU 3.45 0.75 1 111 ASP 4.81 2.34 1 112 LEU 0.67 0.34 1 114 MET -3.02 -1.83 1 115 VAL 0.43 -3.22 1 116 LEU -4.87 -2.30 1 117 LEU -4.16 -2.19 1 119 VAL -7.00 -1.42 1 120 ALA -0.56 -0.16 1 121 SER -3.89 -0.66 1 122 GLN 4.12 2.35 1 123 MET 5.00 2.86 1 124 GLU 3.05 2.67 1 125 ALA 1.70 0.27 1 126 SER -2.04 0.53 1 128 LEU 3.21 0.41 1 129 VAL 7.46 0.73 1 130 ILE 5.32 1.43 1 131 GLN 4.91 2.71 1 132 LEU 3.38 2.25 1 133 VAL -3.75 2.49 1 134 GLN 1.23 2.37 1 135 GLU 1.98 1.39 1 136 GLN 1.62 0.81 1 137 THR 3.33 -0.43 1 138 LYS 0.34 -0.48 1 139 GLU -1.63 -2.01 1 stop_ save_