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 bmr11330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.72 _LACS_plot.Line_1_terminator_val_y_1 -4.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 6.09 _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 38 PHE 0.45 -1.90 0 83 THR 7.96 7.47 0 23 VAL -1.12 -3.13 0 10 LYS 0.64 0.51 1 11 SER -0.65 -0.61 1 12 GLN -0.81 0.00 1 14 VAL 1.21 0.80 1 15 SER -1.91 0.93 1 16 LEU -5.15 -1.62 1 18 GLU 3.81 3.00 1 19 GLU 1.14 1.57 1 20 LEU 0.51 1.02 1 21 ASN 2.57 2.73 1 22 ARG 3.59 3.62 1 24 ARG -2.38 -2.23 1 25 LEU -3.10 -2.25 1 26 SER -1.83 -1.70 1 27 ARG 5.88 4.35 1 28 HIS 2.47 4.14 1 29 LYS 4.37 2.95 1 30 LEU 3.87 3.32 1 31 GLU 3.32 2.78 1 32 ARG 3.24 2.20 1 33 TRP -4.30 -2.10 1 35 HIS -1.09 0.34 1 36 MET 1.13 -0.26 1 39 PHE 5.18 4.83 1 40 ALA 4.87 3.73 1 41 LYS 3.26 2.45 1 42 THR 6.12 4.97 1 43 VAL 3.62 1.31 1 44 THR 6.58 4.87 1 47 PHE -4.93 -1.16 1 48 VAL -6.95 -3.07 1 49 ARG -0.83 -0.71 1 50 ILE -9.72 -5.58 1 52 ILE -0.92 -0.98 1 54 ASN -2.18 -0.72 1 55 HIS -1.26 1.76 1 56 ASN 2.49 0.94 1 57 SER 2.19 1.29 1 58 LYS -1.57 -0.69 1 60 VAL -1.97 -0.71 1 61 TYR -4.95 -1.41 1 62 ARG -6.29 -2.23 1 63 VAL 0.19 0.07 1 64 ALA -6.23 -1.27 1 65 GLU -4.57 -2.20 1 66 ILE 2.29 0.56 1 67 THR 0.76 -0.45 1 69 VAL -2.47 -0.53 1 70 VAL -5.62 -3.25 1 71 GLU -1.10 -0.41 1 72 THR -1.34 -0.74 1 73 ALA 0.86 1.22 1 74 LYS -3.72 -1.42 1 75 VAL 0.50 -0.27 1 76 TYR -5.22 -2.96 1 77 GLN 0.32 0.28 1 78 LEU -3.55 -2.40 1 81 THR -3.28 -2.27 1 82 ARG -3.34 -1.35 1 84 ASN -1.60 -1.38 1 85 LYS 0.00 1.31 1 87 LEU -3.66 -2.40 1 88 GLN 0.10 0.52 1 89 LEU -4.04 -2.37 1 90 ARG -5.24 -1.21 1 91 HIS -0.58 0.27 1 93 ASN 0.28 0.26 1 94 ASP -1.79 0.12 1 95 GLN -3.76 -0.79 1 96 ARG -4.84 -1.13 1 97 VAL -0.26 -0.52 1 98 PHE -6.51 -1.54 1 99 ARG -0.43 1.70 1 100 LEU 3.68 3.30 1 101 GLU 1.28 0.95 1 102 PHE 1.09 0.80 1 103 VAL 2.74 1.85 1 104 SER -2.21 -1.34 1 105 ASN 1.46 1.40 1 106 GLN -1.10 -0.19 1 107 GLU -1.34 -0.97 1 108 PHE -1.05 -1.21 1 109 THR -3.99 -2.00 1 110 GLU 4.57 4.19 1 111 SER 4.34 3.27 1 112 GLU 3.70 2.27 1 113 PHE 4.17 4.83 1 114 MET 4.39 3.02 1 115 LYS 3.62 2.69 1 116 TRP 6.03 3.69 1 117 LYS 5.79 4.33 1 118 GLU 3.29 2.78 1 119 ALA 3.84 2.53 1 120 MET 4.77 1.69 1 121 PHE 4.13 2.61 1 122 SER 4.24 3.22 1 123 ALA -1.36 -0.69 1 125 MET -2.09 -0.54 1 126 GLN -0.75 -0.62 1 127 LEU 1.82 0.44 1 129 THR -3.92 -2.17 1 130 LEU 4.19 2.56 1 131 ASP 3.20 3.37 1 132 GLU 3.32 2.86 1 133 ILE 4.59 2.41 1 134 ASN 3.91 3.29 1 135 LYS 4.12 3.64 1 136 LYS 3.29 1.26 1 137 GLU 3.80 3.52 1 138 LEU 4.24 3.22 1 139 SER 4.24 3.47 1 140 ILE 4.42 4.10 1 141 LYS 4.23 3.62 1 142 GLU 2.27 1.97 1 143 ALA 0.97 0.82 1 144 SER 1.11 1.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.72 _LACS_plot.Line_1_terminator_val_y_1 5.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _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 38 PHE 0.45 -2.35 0 83 THR 7.96 -0.49 0 23 VAL -1.12 -2.01 0 10 LYS 0.64 -0.13 1 11 SER -0.65 0.04 1 12 GLN -0.81 0.81 1 14 VAL 1.21 -0.41 1 15 SER -1.91 2.84 1 16 LEU -5.15 3.53 1 18 GLU 3.81 -0.81 1 19 GLU 1.14 0.43 1 20 LEU 0.51 0.51 1 21 ASN 2.57 0.16 1 22 ARG 3.59 0.03 1 24 ARG -2.38 0.15 1 25 LEU -3.10 0.85 1 26 SER -1.83 0.13 1 27 ARG 5.88 -1.53 1 28 HIS 2.47 1.67 1 29 LYS 4.37 -1.42 1 30 LEU 3.87 -0.55 1 31 GLU 3.32 -0.54 1 32 ARG 3.24 -1.04 1 33 TRP -4.30 2.20 1 35 HIS -1.09 1.43 1 36 MET 1.13 -1.39 1 39 PHE 5.18 -0.35 1 40 ALA 4.87 -1.14 1 41 LYS 3.26 -0.81 1 42 THR 6.12 -1.15 1 43 VAL 3.62 -2.31 1 44 THR 6.58 -1.71 1 47 PHE -4.93 3.77 1 48 VAL -6.95 3.88 1 49 ARG -0.83 0.12 1 50 ILE -9.72 4.14 1 52 ILE -0.92 -0.06 1 54 ASN -2.18 1.46 1 55 HIS -1.26 3.02 1 56 ASN 2.49 -1.55 1 57 SER 2.19 -0.90 1 58 LYS -1.57 0.88 1 60 VAL -1.97 1.26 1 61 TYR -4.95 3.54 1 62 ARG -6.29 4.06 1 63 VAL 0.19 -0.12 1 64 ALA -6.23 4.96 1 65 GLU -4.57 2.37 1 66 ILE 2.29 -1.73 1 67 THR 0.76 -1.21 1 69 VAL -2.47 1.94 1 70 VAL -5.62 2.37 1 71 GLU -1.10 0.69 1 72 THR -1.34 0.60 1 73 ALA 0.86 0.36 1 74 LYS -3.72 2.30 1 75 VAL 0.50 -0.77 1 76 TYR -5.22 2.26 1 77 GLN 0.32 -0.04 1 78 LEU -3.55 1.15 1 81 THR -3.28 1.01 1 82 ARG -3.34 1.99 1 84 ASN -1.60 0.22 1 85 LYS 0.00 1.31 1 87 LEU -3.66 1.26 1 88 GLN 0.10 0.42 1 89 LEU -4.04 1.67 1 90 ARG -5.24 4.03 1 91 HIS -0.58 0.85 1 93 ASN 0.28 -0.02 1 94 ASP -1.79 1.91 1 95 GLN -3.76 2.97 1 96 ARG -4.84 3.71 1 97 VAL -0.26 -0.26 1 98 PHE -6.51 4.97 1 99 ARG -0.43 2.13 1 100 LEU 3.68 -0.38 1 101 GLU 1.28 -0.33 1 102 PHE 1.09 -0.29 1 103 VAL 2.74 -0.89 1 104 SER -2.21 0.87 1 105 ASN 1.46 -0.06 1 106 GLN -1.10 0.91 1 107 GLU -1.34 0.37 1 108 PHE -1.05 -0.16 1 109 THR -3.99 1.99 1 110 GLU 4.57 -0.38 1 111 SER 4.34 -1.07 1 112 GLU 3.70 -1.43 1 113 PHE 4.17 0.66 1 114 MET 4.39 -1.37 1 115 LYS 3.62 -0.93 1 116 TRP 6.03 -2.34 1 117 LYS 5.79 -1.46 1 118 GLU 3.29 -0.51 1 119 ALA 3.84 -1.31 1 120 MET 4.77 -3.08 1 121 PHE 4.13 -1.52 1 122 SER 4.24 -1.02 1 123 ALA -1.36 0.67 1 125 MET -2.09 1.55 1 126 GLN -0.75 0.13 1 127 LEU 1.82 -1.38 1 129 THR -3.92 1.75 1 130 LEU 4.19 -1.63 1 131 ASP 3.20 0.17 1 132 GLU 3.32 -0.46 1 133 ILE 4.59 -2.18 1 134 ASN 3.91 -0.62 1 135 LYS 4.12 -0.48 1 136 LYS 3.29 -2.03 1 137 GLU 3.80 -0.28 1 138 LEU 4.24 -1.02 1 139 SER 4.24 -0.77 1 140 ILE 4.42 -0.32 1 141 LYS 4.23 -0.61 1 142 GLU 2.27 -0.30 1 143 ALA 0.97 -0.15 1 144 SER 1.11 0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.72 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 7.95 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _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 83 THR 7.96 0.43 0 65 GLU -4.57 -0.82 0 10 LYS 0.64 -0.04 1 11 SER -0.65 0.00 1 12 GLN -0.81 0.00 1 14 VAL 1.21 -0.11 1 15 SER -1.91 0.29 1 16 LEU -5.15 0.04 1 18 GLU 3.81 -0.31 1 19 GLU 1.14 -0.44 1 20 LEU 0.51 -0.42 1 21 ASN 2.57 -0.32 1 22 ARG 3.59 -0.21 1 23 VAL -1.12 0.50 1 24 ARG -2.38 0.63 1 25 LEU -3.10 0.29 1 26 SER -1.83 -0.19 1 27 ARG 5.88 -0.67 1 28 HIS 2.47 -0.44 1 29 LYS 4.37 -0.94 1 30 LEU 3.87 -0.38 1 31 GLU 3.32 -0.67 1 32 ARG 3.24 -0.20 1 33 TRP -4.30 0.39 1 35 HIS -1.09 0.13 1 36 MET 1.13 -0.04 1 38 PHE 0.45 0.24 1 39 PHE 5.18 -0.73 1 40 ALA 4.87 -0.61 1 41 LYS 3.26 -0.32 1 42 THR 6.12 -0.56 1 43 VAL 3.62 0.09 1 44 THR 6.58 -0.83 1 47 PHE -4.93 1.01 1 48 VAL -6.95 0.64 1 49 ARG -0.83 0.75 1 50 ILE -9.72 0.71 1 52 ILE -0.92 0.19 1 54 ASN -2.18 0.26 1 55 HIS -1.26 -0.15 1 56 ASN 2.49 -0.36 1 57 SER 2.19 -0.35 1 58 LYS -1.57 0.18 1 60 VAL -1.97 0.03 1 61 TYR -4.95 0.86 1 62 ARG -6.29 0.43 1 63 VAL 0.19 -0.16 1 64 ALA -6.23 0.70 1 66 ILE 2.29 0.35 1 67 THR 0.76 0.27 1 69 VAL -2.47 0.70 1 70 VAL -5.62 0.61 1 71 GLU -1.10 0.22 1 72 THR -1.34 0.28 1 73 ALA 0.86 -0.10 1 74 LYS -3.72 0.33 1 75 VAL 0.50 -0.17 1 76 TYR -5.22 0.45 1 77 GLN 0.32 -0.17 1 78 LEU -3.55 0.24 1 81 THR -3.28 0.46 1 82 ARG -3.34 0.63 1 84 ASN -1.60 0.60 1 85 LYS 0.00 0.44 1 87 LEU -3.66 0.75 1 88 GLN 0.10 0.03 1 89 LEU -4.04 1.21 1 90 ARG -5.24 1.15 1 91 HIS -0.58 0.24 1 93 ASN 0.28 -0.12 1 94 ASP -1.79 0.08 1 95 GLN -3.76 1.26 1 96 ARG -4.84 0.31 1 97 VAL -0.26 0.85 1 98 PHE -6.51 0.47 1 99 ARG -0.43 0.03 1 100 LEU 3.68 -0.43 1 101 GLU 1.28 -0.40 1 102 PHE 1.09 0.15 1 103 VAL 2.74 -0.09 1 104 SER -2.21 0.12 1 105 ASN 1.46 0.07 1 106 GLN -1.10 -0.09 1 107 GLU -1.34 -0.79 1 108 PHE -1.05 0.28 1 109 THR -3.99 0.16 1 110 GLU 4.57 -0.39 1 111 SER 4.34 -0.16 1 112 GLU 3.70 -0.24 1 113 PHE 4.17 -0.58 1 114 MET 4.39 -0.35 1 115 LYS 3.62 -0.16 1 116 TRP 6.03 -0.66 1 117 LYS 5.79 -1.62 1 118 GLU 3.29 -0.39 1 119 ALA 3.84 -0.24 1 120 MET 4.77 -0.63 1 121 PHE 4.13 -0.32 1 122 SER 4.24 -0.38 1 123 ALA -1.36 0.02 1 125 MET -2.09 -0.12 1 126 GLN -0.75 -0.18 1 127 LEU 1.82 -0.47 1 129 THR -3.92 0.56 1 130 LEU 4.19 -0.36 1 131 ASP 3.20 -0.19 1 132 GLU 3.32 -0.37 1 133 ILE 4.59 -0.36 1 134 ASN 3.91 -0.30 1 135 LYS 4.12 -0.28 1 136 LYS 3.29 -0.02 1 137 GLU 3.80 -0.45 1 138 LEU 4.24 -0.23 1 139 SER 4.24 -0.18 1 140 ILE 4.42 -0.40 1 141 LYS 4.23 -0.24 1 142 GLU 2.27 -0.30 1 143 ALA 0.97 -0.43 1 144 SER 1.11 0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.72 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _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 -0.49 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 3.01 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 THR 7.96 -4.87 0 14 VAL 1.21 -2.14 1 15 SER -1.91 -1.24 1 16 LEU -5.15 -0.68 1 18 GLU 3.81 2.01 1 19 GLU 1.14 1.17 1 20 LEU 0.51 1.50 1 21 ASN 2.57 2.40 1 22 ARG 3.59 1.67 1 23 VAL -1.12 -3.29 1 24 ARG -2.38 0.02 1 25 LEU -3.10 -1.74 1 26 SER -1.83 -1.18 1 27 ARG 5.88 2.21 1 28 HIS 2.47 3.89 1 29 LYS 4.37 0.80 1 30 LEU 3.87 0.68 1 31 GLU 3.32 1.51 1 32 ARG 3.24 3.01 1 33 TRP -4.30 2.44 1 35 HIS -1.09 2.34 1 36 MET 1.13 2.59 1 38 PHE 0.45 0.54 1 39 PHE 5.18 -0.14 1 40 ALA 4.87 2.11 1 41 LYS 3.26 1.75 1 42 THR 6.12 1.22 1 43 VAL 3.62 0.30 1 44 THR 6.58 0.20 1 47 PHE -4.93 -0.63 1 48 VAL -6.95 -3.41 1 49 ARG -0.83 -2.25 1 50 ILE -9.72 -3.06 1 52 ILE -0.92 -0.50 1 54 ASN -2.18 0.19 1 60 VAL -1.97 -1.92 1 61 TYR -4.95 -0.38 1 62 ARG -6.29 -0.86 1 63 VAL 0.19 -0.68 1 64 ALA -6.23 -3.65 1 65 GLU -4.57 -0.24 1 66 ILE 2.29 0.80 1 67 THR 0.76 -0.04 1 69 VAL -2.47 -1.19 1 70 VAL -5.62 -1.55 1 71 GLU -1.10 0.15 1 72 THR -1.34 -0.40 1 73 ALA 0.86 -0.27 1 74 LYS -3.72 -1.69 1 75 VAL 0.50 -1.07 1 76 TYR -5.22 -3.15 1 77 GLN 0.32 -1.43 1 78 LEU -3.55 -3.09 1 81 THR -3.28 -2.94 1 82 ARG -3.34 -1.15 1 84 ASN -1.60 2.83 1 85 LYS 0.00 -0.66 1 87 LEU -3.66 -1.90 1 88 GLN 0.10 -2.23 1 89 LEU -4.04 -1.11 1 90 ARG -5.24 -0.33 1 91 HIS -0.58 0.61 1 93 ASN 0.28 -0.15 1 94 ASP -1.79 -1.32 1 95 GLN -3.76 -1.86 1 96 ARG -4.84 -2.32 1 97 VAL -0.26 0.07 1 98 PHE -6.51 0.45 1 99 ARG -0.43 0.71 1 100 LEU 3.68 -0.71 1 101 GLU 1.28 -1.65 1 102 PHE 1.09 0.50 1 103 VAL 2.74 -1.74 1 104 SER -2.21 1.52 1 105 ASN 1.46 0.43 1 106 GLN -1.10 -2.94 1 107 GLU -1.34 0.29 1 108 PHE -1.05 1.86 1 109 THR -3.99 0.83 1 110 GLU 4.57 2.01 1 111 SER 4.34 3.20 1 112 GLU 3.70 3.84 1 113 PHE 4.17 0.40 1 114 MET 4.39 2.95 1 115 LYS 3.62 2.88 1 116 TRP 6.03 0.16 1 117 LYS 5.79 2.12 1 118 GLU 3.29 2.27 1 119 ALA 3.84 3.55 1 120 MET 4.77 1.83 1 121 PHE 4.13 5.15 1 122 SER 4.24 0.70 1 123 ALA -1.36 -0.57 1 125 MET -2.09 -1.35 1 126 GLN -0.75 -0.36 1 127 LEU 1.82 -0.51 1 129 THR -3.92 1.76 1 130 LEU 4.19 1.66 1 131 ASP 3.20 2.26 1 132 GLU 3.32 3.47 1 133 ILE 4.59 1.03 1 134 ASN 3.91 3.21 1 135 LYS 4.12 3.14 1 136 LYS 3.29 2.27 1 137 GLU 3.80 2.27 1 138 LEU 4.24 1.80 1 139 SER 4.24 2.63 1 140 ILE 4.42 2.67 1 141 LYS 4.23 3.06 1 142 GLU 2.27 1.50 1 143 ALA 0.97 0.34 1 144 SER 1.11 -0.07 1 stop_ save_