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 bmr6255_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 -3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 5.28 _LACS_plot.Line_2_terminator_val_y_2 4.33 _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 54 MET 3.15 4.87 0 107 ALA -7.17 -1.21 0 58 PHE -1.63 -3.33 0 10 ARG -0.67 -0.17 1 11 LYS 0.40 0.35 1 12 GLN -0.12 0.19 1 13 GLN -0.41 0.15 1 14 ARG -0.12 0.18 1 16 ARG -0.22 0.05 1 17 LEU -0.00 -0.06 1 18 LYS 0.47 0.37 1 20 ALA -0.65 -0.01 1 21 THR 0.03 -0.11 1 22 LYS 0.28 0.18 1 25 ASP -1.26 -0.76 1 26 TYR -3.43 -2.28 1 27 VAL 2.18 0.41 1 28 ALA -2.18 0.59 1 29 PHE -0.93 -0.29 1 31 ASP -1.54 1.51 1 32 TYR -7.24 -1.95 1 34 LEU -5.99 -1.72 1 35 VAL -3.68 -1.71 1 36 ALA -0.98 0.35 1 37 LEU -1.67 -1.10 1 38 GLU -4.95 -1.22 1 40 ALA -5.75 -0.54 1 41 TRP -1.63 -1.30 1 42 ILE -2.80 -2.00 1 43 THR -2.47 -0.96 1 44 ALA 3.20 2.88 1 45 GLN 4.81 3.87 1 46 GLN 3.79 3.33 1 47 ILE 5.29 5.17 1 48 GLU 1.99 1.16 1 49 ALA 2.89 2.30 1 50 ALA 3.24 2.79 1 51 ARG 4.29 4.60 1 52 VAL 4.77 3.80 1 53 ALA 2.63 2.24 1 55 VAL 4.96 3.98 1 56 ARG 2.91 2.42 1 57 HIS 1.97 3.48 1 59 ARG 2.89 2.06 1 60 ARG 0.80 0.20 1 63 LYS -3.89 -1.12 1 64 ILE -3.90 -1.18 1 65 PHE -2.17 -1.73 1 66 ILE 1.45 0.57 1 67 ARG -0.03 -0.63 1 68 ILE -4.75 -2.40 1 69 PHE -3.17 -1.28 1 71 ASP -1.56 -0.72 1 72 LYS -2.30 -1.53 1 74 TYR -1.59 -0.64 1 75 THR -0.83 -0.84 1 76 LYS -0.13 0.06 1 77 LYS -0.18 -0.04 1 79 LEU 1.02 0.85 1 80 GLU -0.67 0.21 1 81 VAL 0.67 0.51 1 82 ARG 0.34 0.34 1 83 MET 0.12 0.14 1 85 LYS 0.02 0.09 1 87 LYS -0.22 -0.04 1 89 ASN -0.05 0.26 1 90 VAL 0.20 0.15 1 91 GLU -1.05 -0.03 1 93 TYR -2.99 -0.85 1 94 VAL -6.35 -3.05 1 95 ALA -4.22 -2.36 1 96 VAL 1.27 0.37 1 97 VAL -3.30 -1.50 1 98 LYS -1.81 -1.47 1 101 ARG -1.74 -1.09 1 102 VAL 2.03 0.36 1 103 MET -0.34 2.65 1 104 PHE -8.95 -3.41 1 105 GLU -7.64 -2.55 1 106 VAL -7.75 -3.31 1 109 VAL -6.03 -3.46 1 110 THR -1.28 -0.49 1 111 GLU 3.59 3.98 1 112 GLU 3.51 3.19 1 113 GLN 2.72 3.16 1 114 ALA 2.52 3.26 1 115 MET 3.87 2.63 1 116 GLU 2.07 2.25 1 117 ALA 1.58 2.69 1 118 LEU 3.63 2.34 1 119 ARG 3.84 3.38 1 120 ILE 5.00 3.90 1 121 ALA 3.25 2.88 1 123 HIS 2.03 2.07 1 124 LYS -0.35 -1.72 1 125 LEU -4.00 -2.07 1 127 ILE -6.82 -2.39 1 128 LYS 0.11 0.88 1 129 THR -6.60 -2.35 1 130 LYS -5.50 -1.72 1 131 ILE -0.94 -0.09 1 132 VAL -5.81 -3.22 1 133 ARG -3.44 -1.27 1 134 ARG 2.10 1.92 1 135 ASP 0.54 0.32 1 136 ALA -0.66 -0.06 1 137 TYR -0.24 -0.08 1 138 ASP -0.30 0.05 1 139 GLU -1.17 -0.36 1 140 ALA -0.55 -0.06 1 141 GLN 0.16 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6255_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 5.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 5.28 _LACS_plot.Line_2_terminator_val_y_2 -0.95 _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 54 MET 3.15 1.72 0 107 ALA -7.17 5.96 0 58 PHE -1.63 -1.70 0 10 ARG -0.67 0.50 1 11 LYS 0.40 -0.05 1 12 GLN -0.12 0.31 1 13 GLN -0.41 0.56 1 14 ARG -0.12 0.30 1 16 ARG -0.22 0.27 1 17 LEU -0.00 -0.06 1 18 LYS 0.47 -0.10 1 20 ALA -0.65 0.64 1 21 THR 0.03 -0.14 1 22 LYS 0.28 -0.10 1 25 ASP -1.26 0.50 1 26 TYR -3.43 1.15 1 27 VAL 2.18 -1.77 1 28 ALA -2.18 2.77 1 29 PHE -0.93 0.64 1 31 ASP -1.54 3.05 1 32 TYR -7.24 5.29 1 34 LEU -5.99 4.27 1 35 VAL -3.68 1.97 1 36 ALA -0.98 1.33 1 37 LEU -1.67 0.57 1 38 GLU -4.95 3.73 1 40 ALA -5.75 5.21 1 41 TRP -1.63 0.33 1 42 ILE -2.80 0.80 1 43 THR -2.47 1.51 1 44 ALA 3.20 -0.32 1 45 GLN 4.81 -0.94 1 46 GLN 3.79 -0.46 1 47 ILE 5.29 -0.12 1 48 GLU 1.99 -0.83 1 49 ALA 2.89 -0.59 1 50 ALA 3.24 -0.45 1 51 ARG 4.29 0.31 1 52 VAL 4.77 -0.97 1 53 ALA 2.63 -0.39 1 55 VAL 4.96 -0.98 1 56 ARG 2.91 -0.49 1 57 HIS 1.97 1.51 1 59 ARG 2.89 -0.83 1 60 ARG 0.80 -0.60 1 63 LYS -3.89 2.77 1 64 ILE -3.90 2.72 1 65 PHE -2.17 0.44 1 66 ILE 1.45 -0.88 1 67 ARG -0.03 -0.60 1 68 ILE -4.75 2.35 1 69 PHE -3.17 1.89 1 71 ASP -1.56 0.84 1 72 LYS -2.30 0.77 1 74 TYR -1.59 0.95 1 75 THR -0.83 -0.01 1 76 LYS -0.13 0.19 1 77 LYS -0.18 0.14 1 79 LEU 1.02 -0.17 1 80 GLU -0.67 0.88 1 81 VAL 0.67 -0.16 1 82 ARG 0.34 0.00 1 83 MET 0.12 0.02 1 85 LYS 0.02 0.07 1 87 LYS -0.22 0.18 1 89 ASN -0.05 0.31 1 90 VAL 0.20 -0.05 1 91 GLU -1.05 1.02 1 93 TYR -2.99 2.14 1 94 VAL -6.35 3.30 1 95 ALA -4.22 1.86 1 96 VAL 1.27 -0.90 1 97 VAL -3.30 1.80 1 98 LYS -1.81 0.34 1 101 ARG -1.74 0.65 1 102 VAL 2.03 -1.67 1 103 MET -0.34 2.99 1 104 PHE -8.95 5.54 1 105 GLU -7.64 5.09 1 106 VAL -7.75 4.44 1 109 VAL -6.03 2.57 1 110 THR -1.28 0.79 1 111 GLU 3.59 0.39 1 112 GLU 3.51 -0.32 1 113 GLN 2.72 0.44 1 114 ALA 2.52 0.74 1 115 MET 3.87 -1.24 1 116 GLU 2.07 0.18 1 117 ALA 1.58 1.11 1 118 LEU 3.63 -1.29 1 119 ARG 3.84 -0.46 1 120 ILE 5.00 -1.10 1 121 ALA 3.25 -0.37 1 123 HIS 2.03 0.04 1 124 LYS -0.35 -1.37 1 125 LEU -4.00 1.93 1 127 ILE -6.82 4.43 1 128 LYS 0.11 0.77 1 129 THR -6.60 4.25 1 130 LYS -5.50 3.78 1 131 ILE -0.94 0.85 1 132 VAL -5.81 2.59 1 133 ARG -3.44 2.17 1 134 ARG 2.10 -0.18 1 135 ASP 0.54 -0.22 1 136 ALA -0.66 0.60 1 137 TYR -0.24 0.16 1 138 ASP -0.30 0.35 1 139 GLU -1.17 0.81 1 140 ALA -0.55 0.49 1 141 GLN 0.16 1.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6255_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 5.28 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _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 106 VAL -7.75 1.93 0 10 ARG -0.67 -0.04 1 11 LYS 0.40 -0.09 1 12 GLN -0.12 -0.03 1 13 GLN -0.41 -0.01 1 14 ARG -0.12 -0.02 1 16 ARG -0.22 -0.04 1 17 LEU -0.00 -0.01 1 18 LYS 0.47 -0.07 1 20 ALA -0.65 0.05 1 21 THR 0.03 -0.04 1 22 LYS 0.28 0.01 1 25 ASP -1.26 0.21 1 26 TYR -3.43 -0.02 1 27 VAL 2.18 -0.23 1 28 ALA -2.18 -0.16 1 29 PHE -0.93 -0.17 1 31 ASP -1.54 0.05 1 32 TYR -7.24 0.78 1 34 LEU -5.99 0.88 1 35 VAL -3.68 0.71 1 36 ALA -0.98 -0.12 1 37 LEU -1.67 0.32 1 38 GLU -4.95 0.19 1 40 ALA -5.75 0.17 1 41 TRP -1.63 0.63 1 42 ILE -2.80 0.61 1 43 THR -2.47 0.47 1 44 ALA 3.20 -0.24 1 45 GLN 4.81 -0.21 1 46 GLN 3.79 -0.22 1 47 ILE 5.29 -0.59 1 48 GLU 1.99 -0.01 1 49 ALA 2.89 -0.19 1 50 ALA 3.24 -0.53 1 51 ARG 4.29 -0.79 1 52 VAL 4.77 -0.62 1 53 ALA 2.63 -0.25 1 54 MET 3.15 -0.89 1 55 VAL 4.96 -0.64 1 56 ARG 2.91 -0.30 1 57 HIS 1.97 -0.39 1 58 PHE -1.63 0.28 1 59 ARG 2.89 -0.18 1 60 ARG 0.80 0.04 1 63 LYS -3.89 0.25 1 64 ILE -3.90 0.63 1 65 PHE -2.17 0.22 1 66 ILE 1.45 0.12 1 67 ARG -0.03 0.22 1 68 ILE -4.75 0.29 1 69 PHE -3.17 0.01 1 71 ASP -1.56 -0.06 1 72 LYS -2.30 0.28 1 74 TYR -1.59 0.06 1 75 THR -0.83 -0.03 1 76 LYS -0.13 -0.09 1 77 LYS -0.18 -0.06 1 79 LEU 1.02 0.10 1 80 GLU -0.67 -0.05 1 81 VAL 0.67 -0.02 1 82 ARG 0.34 0.02 1 83 MET 0.12 0.05 1 85 LYS 0.02 0.03 1 87 LYS -0.22 0.03 1 89 ASN -0.05 0.00 1 90 VAL 0.20 -0.09 1 91 GLU -1.05 0.00 1 93 TYR -2.99 0.52 1 94 VAL -6.35 0.81 1 95 ALA -4.22 0.56 1 96 VAL 1.27 0.10 1 97 VAL -3.30 0.24 1 98 LYS -1.81 -0.01 1 101 ARG -1.74 -0.12 1 102 VAL 2.03 -0.12 1 103 MET -0.34 -0.39 1 104 PHE -8.95 1.04 1 105 GLU -7.64 1.53 1 107 ALA -7.17 0.90 1 109 VAL -6.03 0.68 1 110 THR -1.28 0.04 1 111 GLU 3.59 -0.68 1 112 GLU 3.51 -0.39 1 113 GLN 2.72 -0.08 1 114 ALA 2.52 -0.44 1 115 MET 3.87 -0.53 1 116 GLU 2.07 -0.38 1 117 ALA 1.58 -0.82 1 118 LEU 3.63 -0.25 1 119 ARG 3.84 -0.43 1 120 ILE 5.00 -0.63 1 121 ALA 3.25 -0.59 1 123 HIS 2.03 -0.03 1 124 LYS -0.35 0.05 1 125 LEU -4.00 0.19 1 127 ILE -6.82 0.53 1 128 LYS 0.11 0.02 1 129 THR -6.60 0.95 1 130 LYS -5.50 0.52 1 131 ILE -0.94 0.90 1 132 VAL -5.81 0.71 1 133 ARG -3.44 0.32 1 134 ARG 2.10 -0.45 1 135 ASP 0.54 -0.14 1 136 ALA -0.66 -0.02 1 137 TYR -0.24 -0.04 1 138 ASP -0.30 -0.07 1 139 GLU -1.17 -0.12 1 140 ALA -0.55 -0.01 1 141 GLN 0.16 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6255_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 5.28 _LACS_plot.Line_2_terminator_val_y_2 2.54 _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 104 PHE -8.95 -1.35 0 10 ARG -0.67 -0.43 1 11 LYS 0.40 -0.06 1 12 GLN -0.12 -0.14 1 13 GLN -0.41 -0.16 1 14 ARG -0.12 0.43 1 16 ARG -0.22 0.07 1 17 LEU -0.00 -0.26 1 18 LYS 0.47 0.41 1 20 ALA -0.65 0.28 1 21 THR 0.03 0.06 1 22 LYS 0.28 0.36 1 25 ASP -1.26 -1.66 1 26 TYR -3.43 -2.15 1 27 VAL 2.18 0.20 1 29 PHE -0.93 1.46 1 31 ASP -1.54 -0.70 1 32 TYR -7.24 -0.81 1 34 LEU -5.99 -2.78 1 35 VAL -3.68 -0.30 1 36 ALA -0.98 0.04 1 37 LEU -1.67 -1.99 1 40 ALA -5.75 -2.86 1 41 TRP -1.63 -0.72 1 42 ILE -2.80 -0.26 1 43 THR -2.47 1.17 1 44 ALA 3.20 2.68 1 45 GLN 4.81 3.12 1 46 GLN 3.79 2.29 1 47 ILE 5.29 0.90 1 48 GLU 1.99 1.17 1 49 ALA 2.89 3.51 1 50 ALA 3.24 -0.17 1 51 ARG 4.29 2.07 1 52 VAL 4.77 1.54 1 53 ALA 2.63 2.78 1 54 MET 3.15 0.54 1 55 VAL 4.96 3.01 1 56 ARG 2.91 1.91 1 57 HIS 1.97 2.33 1 58 PHE -1.63 1.08 1 59 ARG 2.89 0.80 1 60 ARG 0.80 -0.20 1 63 LYS -3.89 -2.17 1 64 ILE -3.90 -1.51 1 65 PHE -2.17 -0.77 1 66 ILE 1.45 -0.09 1 67 ARG -0.03 -1.45 1 68 ILE -4.75 -3.59 1 71 ASP -1.56 -0.30 1 74 TYR -1.59 -0.89 1 75 THR -0.83 -1.08 1 76 LYS -0.13 -0.45 1 79 LEU 1.02 -0.04 1 80 GLU -0.67 0.04 1 81 VAL 0.67 0.05 1 82 ARG 0.34 0.01 1 83 MET 0.12 0.23 1 85 LYS 0.02 0.62 1 87 LYS -0.22 0.50 1 89 ASN -0.05 0.04 1 90 VAL 0.20 -0.37 1 91 GLU -1.05 -0.19 1 93 TYR -2.99 -0.13 1 94 VAL -6.35 -1.84 1 95 ALA -4.22 -1.78 1 96 VAL 1.27 -0.23 1 97 VAL -3.30 -1.94 1 101 ARG -1.74 -0.23 1 102 VAL 2.03 -0.41 1 103 MET -0.34 -1.58 1 105 GLU -7.64 -0.94 1 106 VAL -7.75 -1.04 1 107 ALA -7.17 -1.71 1 109 VAL -6.03 -0.04 1 110 THR -1.28 -0.09 1 111 GLU 3.59 1.16 1 112 GLU 3.51 2.99 1 113 GLN 2.72 2.71 1 114 ALA 2.52 1.20 1 115 MET 3.87 2.10 1 116 GLU 2.07 1.91 1 117 ALA 1.58 1.14 1 118 LEU 3.63 1.33 1 119 ARG 3.84 3.57 1 120 ILE 5.00 2.62 1 121 ALA 3.25 2.40 1 123 HIS 2.03 1.88 1 124 LYS -0.35 -0.93 1 127 ILE -6.82 -1.45 1 128 LYS 0.11 -0.32 1 129 THR -6.60 -1.06 1 130 LYS -5.50 -2.88 1 131 ILE -0.94 -0.28 1 132 VAL -5.81 -1.86 1 133 ARG -3.44 0.11 1 134 ARG 2.10 -0.60 1 135 ASP 0.54 -0.67 1 136 ALA -0.66 -0.48 1 137 TYR -0.24 -0.47 1 138 ASP -0.30 -0.36 1 139 GLU -1.17 -0.63 1 140 ALA -0.55 -1.09 1 stop_ save_