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 bmr19955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.70 _LACS_plot.Line_2_terminator_val_x_2 3.45 _LACS_plot.Line_2_terminator_val_y_2 2.67 _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 32 ILE -0.24 -2.50 0 122 ILE 1.31 -2.00 0 11 ALA -6.30 -1.68 1 12 ARG -6.42 -2.88 1 13 ALA 0.16 -0.29 1 14 LYS 0.59 1.14 1 15 PHE -7.97 -4.33 1 16 ASP 0.48 0.53 1 17 PHE -4.01 -1.48 1 18 LYS -0.51 -1.83 1 19 ALA -2.30 -0.90 1 20 GLN -1.03 0.51 1 21 THR -4.50 -2.49 1 22 LEU 2.49 1.99 1 23 LYS 0.65 0.61 1 24 GLU -3.63 -1.18 1 25 LEU -5.98 -2.59 1 27 LEU -6.21 -1.71 1 28 GLN -4.05 -2.36 1 29 LYS 3.34 2.48 1 31 ASP 0.95 1.39 1 33 VAL -5.81 -4.34 1 34 TYR -2.39 -1.06 1 35 ILE 0.60 1.23 1 36 TYR -1.05 -1.57 1 37 LYS -2.90 -0.90 1 38 GLN 0.66 0.27 1 39 ILE 1.58 0.96 1 40 ASP 0.04 -0.94 1 41 GLN 3.46 2.56 1 42 ASN -2.37 0.54 1 43 TRP -3.18 -0.21 1 44 TYR -5.46 -1.53 1 45 GLU -6.25 -2.20 1 47 GLU -7.77 -2.63 1 48 HIS -2.96 1.25 1 49 HIS 1.70 0.69 1 51 ARG -2.28 -1.12 1 52 VAL -3.09 -2.00 1 54 ILE -3.85 -1.73 1 55 PHE 0.25 -1.33 1 57 ARG 3.22 2.62 1 58 THR 2.01 1.23 1 59 TYR 1.60 0.85 1 60 ILE -7.04 -3.65 1 61 GLU -5.66 -2.94 1 62 LEU 1.43 0.57 1 63 LEU 0.44 -0.30 1 66 ALA -0.66 -0.24 1 67 GLU -0.75 -0.22 1 68 LYS -0.27 -0.18 1 69 ALA -0.64 -0.45 1 70 GLN -0.45 -0.21 1 72 LYS -0.04 -0.07 1 73 LYS -0.40 -0.35 1 74 LEU -0.25 -0.30 1 75 THR 0.16 -0.16 1 77 VAL 0.52 0.14 1 78 GLN -0.45 -0.11 1 79 VAL 0.27 0.20 1 80 LEU 0.44 0.59 1 81 GLU -2.37 -0.85 1 82 TYR -0.94 -1.09 1 84 GLU -5.77 -0.74 1 85 ALA -7.77 -2.37 1 86 ILE -4.14 -2.31 1 87 ALA -1.34 0.84 1 88 LYS 0.02 0.90 1 89 PHE -8.00 -3.86 1 90 ASN 1.12 0.43 1 91 PHE -4.09 -1.60 1 92 ASN -2.66 -2.17 1 94 ASP -1.04 1.00 1 95 THR -3.30 -1.45 1 96 GLN 3.23 2.50 1 97 VAL 1.07 0.09 1 98 GLU -3.18 -1.29 1 99 MET -3.53 -1.27 1 100 SER -0.08 0.31 1 101 PHE -1.36 -1.16 1 102 ARG -4.69 -2.70 1 103 LYS 2.47 2.20 1 105 GLU 2.24 2.92 1 106 ARG -0.61 -0.47 1 107 ILE -5.46 -0.83 1 108 THR 1.59 1.04 1 110 LEU 1.20 1.13 1 111 ARG -1.47 -0.76 1 112 GLN 1.51 0.60 1 113 VAL 2.65 2.57 1 114 ASP 0.04 -0.90 1 115 GLU 2.88 2.49 1 116 ASN -2.61 0.70 1 117 TRP -2.01 -0.32 1 118 TYR -6.04 -1.44 1 119 GLU -4.49 -1.80 1 121 ARG -5.41 -1.72 1 125 THR -4.62 -1.61 1 126 SER -0.35 -0.89 1 127 ARG 1.17 0.96 1 128 GLN -1.74 -0.13 1 130 ILE -3.55 -1.12 1 131 PHE 0.50 0.02 1 133 ILE 2.22 2.27 1 134 THR 1.88 1.18 1 135 TYR 1.75 1.55 1 136 VAL -6.10 -3.71 1 137 ASP -2.43 -1.27 1 138 VAL 3.20 2.02 1 139 ILE 0.73 0.48 1 140 LYS -3.13 -0.60 1 141 ARG 1.98 1.49 1 143 LEU -0.17 1.84 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 4.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 3.45 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 32 ILE -0.24 -2.26 0 122 ILE 1.31 -3.31 0 11 ALA -6.30 4.62 1 12 ARG -6.42 3.54 1 13 ALA 0.16 -0.45 1 14 LYS 0.59 0.55 1 15 PHE -7.97 3.64 1 16 ASP 0.48 0.05 1 17 PHE -4.01 2.53 1 18 LYS -0.51 -1.32 1 19 ALA -2.30 1.40 1 20 GLN -1.03 1.54 1 21 THR -4.50 2.01 1 22 LEU 2.49 -0.50 1 23 LYS 0.65 -0.04 1 24 GLU -3.63 2.45 1 25 LEU -5.98 3.39 1 27 LEU -6.21 4.50 1 28 GLN -4.05 1.69 1 29 LYS 3.34 -0.86 1 31 ASP 0.95 0.44 1 33 VAL -5.81 1.47 1 34 TYR -2.39 1.33 1 35 ILE 0.60 0.63 1 36 TYR -1.05 -0.52 1 37 LYS -2.90 2.00 1 38 GLN 0.66 -0.39 1 39 ILE 1.58 -0.62 1 40 ASP 0.04 -0.98 1 41 GLN 3.46 -0.90 1 42 ASN -2.37 2.91 1 43 TRP -3.18 2.97 1 44 TYR -5.46 3.93 1 45 GLU -6.25 4.05 1 47 GLU -7.77 5.14 1 48 HIS -2.96 4.21 1 49 HIS 1.70 -1.01 1 51 ARG -2.28 1.16 1 52 VAL -3.09 1.09 1 54 ILE -3.85 2.12 1 55 PHE 0.25 -1.58 1 57 ARG 3.22 -0.60 1 58 THR 2.01 -0.78 1 59 TYR 1.60 -0.75 1 60 ILE -7.04 3.39 1 61 GLU -5.66 2.72 1 62 LEU 1.43 -0.86 1 63 LEU 0.44 -0.74 1 66 ALA -0.66 0.42 1 67 GLU -0.75 0.53 1 68 LYS -0.27 0.09 1 69 ALA -0.64 0.19 1 70 GLN -0.45 0.24 1 72 LYS -0.04 -0.03 1 73 LYS -0.40 0.05 1 74 LEU -0.25 -0.05 1 75 THR 0.16 -0.32 1 77 VAL 0.52 -0.38 1 78 GLN -0.45 0.34 1 79 VAL 0.27 -0.07 1 80 LEU 0.44 0.15 1 81 GLU -2.37 1.52 1 82 TYR -0.94 -0.15 1 84 GLU -5.77 5.03 1 85 ALA -7.77 5.40 1 86 ILE -4.14 1.83 1 87 ALA -1.34 2.18 1 88 LYS 0.02 0.88 1 89 PHE -8.00 4.14 1 90 ASN 1.12 -0.69 1 91 PHE -4.09 2.49 1 92 ASN -2.66 0.49 1 94 ASP -1.04 2.04 1 95 THR -3.30 1.85 1 96 GLN 3.23 -0.73 1 97 VAL 1.07 -0.98 1 98 GLU -3.18 1.89 1 99 MET -3.53 2.26 1 100 SER -0.08 0.39 1 101 PHE -1.36 0.20 1 102 ARG -4.69 1.99 1 103 LYS 2.47 -0.27 1 105 GLU 2.24 0.68 1 106 ARG -0.61 0.14 1 107 ILE -5.46 4.63 1 108 THR 1.59 -0.55 1 110 LEU 1.20 -0.07 1 111 ARG -1.47 0.71 1 112 GLN 1.51 -0.91 1 113 VAL 2.65 -0.08 1 114 ASP 0.04 -0.94 1 115 GLU 2.88 -0.39 1 116 ASN -2.61 3.31 1 117 TRP -2.01 1.69 1 118 TYR -6.04 4.60 1 119 GLU -4.49 2.69 1 121 ARG -5.41 3.69 1 125 THR -4.62 3.01 1 126 SER -0.35 -0.54 1 127 ARG 1.17 -0.21 1 128 GLN -1.74 1.61 1 130 ILE -3.55 2.43 1 131 PHE 0.50 -0.48 1 133 ILE 2.22 0.05 1 134 THR 1.88 -0.70 1 135 TYR 1.75 -0.20 1 136 VAL -6.10 2.39 1 137 ASP -2.43 1.16 1 138 VAL 3.20 -1.18 1 139 ILE 0.73 -0.25 1 140 LYS -3.13 2.53 1 141 ARG 1.98 -0.49 1 143 LEU -0.17 2.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _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 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 3.45 _LACS_plot.Line_2_terminator_val_y_2 -0.38 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 ILE -3.55 1.86 0 11 ALA -6.30 0.38 1 12 ARG -6.42 1.00 1 13 ALA 0.16 0.22 1 14 LYS 0.59 -0.56 1 15 PHE -7.97 0.12 1 16 ASP 0.48 -0.12 1 17 PHE -4.01 0.37 1 18 LYS -0.51 -0.20 1 19 ALA -2.30 -0.44 1 20 GLN -1.03 -0.01 1 21 THR -4.50 0.31 1 22 LEU 2.49 -0.14 1 23 LYS 0.65 -0.09 1 24 GLU -3.63 0.35 1 27 LEU -6.21 0.31 1 28 GLN -4.05 0.41 1 29 LYS 3.34 -1.20 1 31 ASP 0.95 -0.31 1 32 ILE -0.24 0.65 1 33 VAL -5.81 0.56 1 34 TYR -2.39 0.25 1 35 ILE 0.60 -0.30 1 36 TYR -1.05 0.52 1 37 LYS -2.90 0.34 1 38 GLN 0.66 0.27 1 39 ILE 1.58 -0.22 1 40 ASP 0.04 -0.22 1 41 GLN 3.46 -0.47 1 42 ASN -2.37 0.00 1 43 TRP -3.18 0.15 1 44 TYR -5.46 0.49 1 45 GLU -6.25 0.59 1 47 GLU -7.77 1.34 1 48 HIS -2.96 0.10 1 49 HIS 1.70 -0.56 1 51 ARG -2.28 0.25 1 52 VAL -3.09 1.01 1 54 ILE -3.85 1.71 1 55 PHE 0.25 0.08 1 57 ARG 3.22 -0.40 1 58 THR 2.01 -0.19 1 59 TYR 1.60 -0.01 1 60 ILE -7.04 0.93 1 61 GLU -5.66 0.20 1 62 LEU 1.43 -0.25 1 63 LEU 0.44 -0.12 1 66 ALA -0.66 -0.08 1 67 GLU -0.75 -0.15 1 68 LYS -0.27 -0.11 1 69 ALA -0.64 -0.08 1 72 LYS -0.04 -0.13 1 73 LYS -0.40 -0.07 1 74 LEU -0.25 0.02 1 75 THR 0.16 0.12 1 77 VAL 0.52 -0.14 1 78 GLN -0.45 -0.05 1 79 VAL 0.27 -0.15 1 80 LEU 0.44 -0.08 1 81 GLU -2.37 -0.13 1 82 TYR -0.94 0.15 1 84 GLU -5.77 0.87 1 85 ALA -7.77 0.78 1 86 ILE -4.14 0.44 1 87 ALA -1.34 -0.28 1 88 LYS 0.02 -0.30 1 89 PHE -8.00 0.29 1 90 ASN 1.12 0.05 1 91 PHE -4.09 0.05 1 92 ASN -2.66 -0.18 1 94 ASP -1.04 -0.01 1 95 THR -3.30 0.23 1 96 GLN 3.23 -0.19 1 97 VAL 1.07 0.09 1 98 GLU -3.18 0.56 1 99 MET -3.53 0.05 1 100 SER -0.08 -0.07 1 101 PHE -1.36 -0.11 1 102 ARG -4.69 0.63 1 103 LYS 2.47 -1.07 1 105 GLU 2.24 -0.23 1 106 ARG -0.61 0.26 1 107 ILE -5.46 -0.11 1 108 THR 1.59 0.09 1 110 LEU 1.20 -0.01 1 111 ARG -1.47 0.10 1 112 GLN 1.51 -0.15 1 113 VAL 2.65 -0.45 1 114 ASP 0.04 -0.24 1 115 GLU 2.88 -0.52 1 116 ASN -2.61 0.12 1 117 TRP -2.01 0.29 1 118 TYR -6.04 0.37 1 119 GLU -4.49 0.53 1 121 ARG -5.41 1.04 1 122 ILE 1.31 0.47 1 125 THR -4.62 0.12 1 126 SER -0.35 0.20 1 127 ARG 1.17 -0.09 1 128 GLN -1.74 1.04 1 133 ILE 2.22 -0.48 1 134 THR 1.88 -0.06 1 135 TYR 1.75 0.09 1 136 VAL -6.10 0.84 1 137 ASP -2.43 0.29 1 138 VAL 3.20 -0.44 1 139 ILE 0.73 -0.13 1 140 LYS -3.13 0.29 1 141 ARG 1.98 -0.22 1 143 LEU -0.17 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -2.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 3.45 _LACS_plot.Line_2_terminator_val_y_2 -0.02 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 143 LEU -0.17 4.36 0 11 ALA -6.30 -4.27 1 12 ARG -6.42 -0.08 1 13 ALA 0.16 0.35 1 14 LYS 0.59 -2.39 1 15 PHE -7.97 -2.39 1 16 ASP 0.48 -0.52 1 17 PHE -4.01 -2.05 1 18 LYS -0.51 -2.56 1 19 ALA -2.30 0.27 1 20 GLN -1.03 -0.07 1 21 THR -4.50 0.56 1 22 LEU 2.49 0.30 1 23 LYS 0.65 0.57 1 24 GLU -3.63 -2.36 1 25 LEU -5.98 -3.43 1 27 LEU -6.21 -1.15 1 28 GLN -4.05 -1.18 1 29 LYS 3.34 0.43 1 31 ASP 0.95 -1.22 1 32 ILE -0.24 -0.77 1 33 VAL -5.81 -3.55 1 34 TYR -2.39 -0.14 1 35 ILE 0.60 0.14 1 36 TYR -1.05 0.43 1 37 LYS -2.90 -2.56 1 38 GLN 0.66 -0.63 1 39 ILE 1.58 -0.95 1 40 ASP 0.04 -0.63 1 41 GLN 3.46 -0.25 1 42 ASN -2.37 0.45 1 43 TRP -3.18 -1.02 1 44 TYR -5.46 -2.23 1 45 GLU -6.25 -0.48 1 47 GLU -7.77 -1.52 1 48 HIS -2.96 0.41 1 49 HIS 1.70 0.91 1 51 ARG -2.28 -2.62 1 52 VAL -3.09 1.00 1 54 ILE -3.85 -0.28 1 55 PHE 0.25 -2.62 1 57 ARG 3.22 1.87 1 58 THR 2.01 0.66 1 59 TYR 1.60 -0.98 1 60 ILE -7.04 -2.26 1 61 GLU -5.66 -1.41 1 62 LEU 1.43 -0.58 1 63 LEU 0.44 -1.25 1 66 ALA -0.66 -0.03 1 67 GLU -0.75 -0.20 1 68 LYS -0.27 -0.52 1 69 ALA -0.64 -0.52 1 70 GLN -0.45 -0.44 1 72 LYS -0.04 -0.22 1 73 LYS -0.40 -0.47 1 74 LEU -0.25 -0.53 1 75 THR 0.16 -0.56 1 77 VAL 0.52 -0.34 1 78 GLN -0.45 -0.56 1 79 VAL 0.27 -0.61 1 80 LEU 0.44 -0.56 1 81 GLU -2.37 -1.25 1 82 TYR -0.94 0.92 1 84 GLU -5.77 -2.77 1 85 ALA -7.77 -3.78 1 86 ILE -4.14 -0.27 1 87 ALA -1.34 0.46 1 88 LYS 0.02 -2.50 1 89 PHE -8.00 -1.75 1 90 ASN 1.12 -0.75 1 91 PHE -4.09 -2.77 1 92 ASN -2.66 -2.03 1 94 ASP -1.04 -0.01 1 95 THR -3.30 1.25 1 96 GLN 3.23 0.48 1 97 VAL 1.07 0.13 1 98 GLU -3.18 -1.23 1 99 MET -3.53 -3.46 1 100 SER -0.08 0.07 1 101 PHE -1.36 -1.04 1 102 ARG -4.69 -0.98 1 103 LYS 2.47 -0.10 1 105 GLU 2.24 -1.98 1 106 ARG -0.61 -1.46 1 107 ILE -5.46 -0.61 1 108 THR 1.59 -0.58 1 110 LEU 1.20 -0.95 1 111 ARG -1.47 -2.65 1 112 GLN 1.51 -0.86 1 113 VAL 2.65 -1.00 1 114 ASP 0.04 -0.91 1 115 GLU 2.88 -0.63 1 116 ASN -2.61 0.04 1 117 TRP -2.01 -0.88 1 118 TYR -6.04 -2.20 1 119 GLU -4.49 -0.44 1 121 ARG -5.41 -2.32 1 122 ILE 1.31 0.02 1 125 THR -4.62 -0.56 1 126 SER -0.35 0.18 1 127 ARG 1.17 -1.59 1 128 GLN -1.74 -1.62 1 130 ILE -3.55 0.18 1 131 PHE 0.50 -3.44 1 133 ILE 2.22 0.40 1 134 THR 1.88 0.94 1 135 TYR 1.75 -0.42 1 136 VAL -6.10 -3.39 1 137 ASP -2.43 -0.44 1 138 VAL 3.20 -0.68 1 139 ILE 0.73 -0.72 1 140 LYS -3.13 -1.40 1 141 ARG 1.98 -0.54 1 stop_ save_