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 bmr15385_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _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 -1.35 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 5.76 _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 36 ILE 7.25 0.46 0 10 GLU 2.16 1.62 1 11 GLN -0.10 -0.09 1 12 LEU -0.73 0.00 1 13 THR -2.37 -1.11 1 14 GLU 3.70 3.10 1 15 GLU 4.20 3.50 1 16 GLN 3.00 3.20 1 17 LYS 6.47 5.39 1 18 ASN 3.90 2.79 1 19 GLU 3.60 2.86 1 20 PHE 2.78 0.57 1 21 LYS 3.51 2.66 1 22 ALA 3.40 2.21 1 23 ALA 2.59 2.20 1 24 PHE 3.74 4.50 1 25 ASP 3.35 2.49 1 26 ILE 4.10 2.79 1 27 PHE 1.86 1.74 1 28 VAL 1.23 0.34 1 29 LEU 2.64 1.24 1 31 ALA -0.53 -0.12 1 32 GLU 1.86 1.72 1 33 ASP -0.34 -0.66 1 35 SER -2.87 -0.91 1 37 SER -0.94 -0.44 1 38 THR 6.00 3.90 1 39 LYS 3.00 2.20 1 40 GLU -0.10 0.00 1 41 LEU 2.60 2.40 1 43 LYS 3.96 3.29 1 44 VAL 5.05 3.59 1 45 MET 4.90 3.26 1 46 ARG 4.02 3.11 1 47 MET 3.96 3.56 1 48 LEU -0.29 -0.61 1 50 GLN -3.17 -1.67 1 51 ASN -0.84 -0.05 1 53 THR 2.39 0.61 1 55 GLU 4.95 3.85 1 56 GLU 1.99 2.16 1 57 LEU 3.31 2.90 1 58 GLN 3.70 2.67 1 59 GLU 3.14 2.60 1 60 MET 3.27 3.68 1 61 ILE 5.71 4.78 1 62 ASP 3.64 2.93 1 63 GLU 0.35 1.20 1 64 VAL 1.50 0.90 1 65 ASP 0.56 -1.41 1 66 GLU 2.00 2.51 1 67 ASP -0.41 -1.71 1 69 SER 0.85 1.77 1 71 THR -6.63 -3.48 1 72 VAL -2.08 -1.29 1 73 ASP -2.38 -1.69 1 74 PHE 4.71 3.71 1 75 ASP 4.52 3.74 1 76 GLU 1.71 1.84 1 77 PHE 3.25 3.37 1 78 LEU 3.84 2.97 1 79 VAL 6.36 4.37 1 80 MET 3.98 3.76 1 81 MET 2.81 0.70 1 82 VAL 5.18 3.51 1 83 ARG 3.84 2.98 1 84 SER 2.17 1.95 1 85 MET 0.87 1.60 1 86 LYS 0.47 0.43 1 87 ASP 0.01 0.13 1 88 ASP 0.23 0.26 1 89 SER 0.81 0.70 1 90 LYS 0.53 0.33 1 92 LYS -0.74 -0.07 1 93 SER -1.12 -0.25 1 94 GLU 3.36 2.83 1 95 GLU 3.11 2.69 1 96 GLU 2.05 2.22 1 97 LEU 3.40 2.94 1 99 ASP 3.80 3.13 1 100 LEU 2.72 2.83 1 101 PHE 4.80 4.43 1 102 ARG 3.35 2.73 1 103 MET 3.13 2.58 1 104 TRP -1.25 -0.54 1 105 ASP 1.12 -2.00 1 106 LYS 2.61 2.28 1 107 ASN 0.67 -1.48 1 108 ALA 2.74 0.62 1 109 ASP -0.93 -1.03 1 111 TYR -6.19 -1.88 1 112 ILE -0.76 -1.09 1 113 ASP -2.91 -2.22 1 114 LEU 4.16 3.89 1 115 ASP 3.91 3.48 1 116 GLU 1.76 1.95 1 117 LEU 2.79 2.58 1 118 LYS 5.10 4.42 1 119 ILE 4.28 3.42 1 120 MET 3.18 2.83 1 121 LEU 2.79 1.71 1 122 GLN 3.18 2.28 1 123 ALA 1.58 1.76 1 124 THR 0.25 0.56 1 126 GLU -1.16 -0.54 1 127 THR 1.51 0.69 1 128 ILE -2.54 -1.60 1 129 THR -2.95 -1.19 1 130 GLU 4.19 3.45 1 131 ASP 3.44 2.86 1 132 ASP 6.46 6.00 1 133 ILE 4.88 3.66 1 134 GLU 3.96 3.30 1 135 GLU 3.18 2.63 1 136 LEU 3.43 3.05 1 137 MET 3.80 2.04 1 138 LYS 4.01 3.05 1 139 ASP 1.98 2.14 1 141 ASP 0.42 -1.08 1 142 LYS 1.68 1.43 1 143 ASN 0.22 -1.49 1 144 ASN 3.11 1.91 1 145 ASP -1.04 -1.21 1 147 ARG -5.28 -1.98 1 148 ILE -2.03 -1.61 1 149 ASP -2.58 -1.83 1 150 TYR 4.77 4.13 1 151 ASP 4.16 3.66 1 152 GLU 1.74 1.92 1 153 PHE 3.77 4.05 1 154 LEU 3.85 3.08 1 155 GLU 2.30 2.16 1 156 PHE 1.78 2.14 1 157 MET 1.19 -0.70 1 158 LYS 2.66 2.03 1 160 VAL 0.18 0.00 1 161 GLU 0.24 1.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15385_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 3.42 _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 0.65 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _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 36 ILE 7.25 -6.79 0 10 GLU 2.16 -0.54 1 11 GLN -0.10 0.01 1 12 LEU -0.73 0.73 1 13 THR -2.37 1.26 1 14 GLU 3.70 -0.60 1 15 GLU 4.20 -0.70 1 16 GLN 3.00 0.20 1 17 LYS 6.47 -1.08 1 18 ASN 3.90 -1.11 1 19 GLU 3.60 -0.74 1 20 PHE 2.78 -2.21 1 21 LYS 3.51 -0.85 1 22 ALA 3.40 -1.19 1 23 ALA 2.59 -0.39 1 24 PHE 3.74 0.76 1 25 ASP 3.35 -0.86 1 26 ILE 4.10 -1.31 1 27 PHE 1.86 -0.12 1 28 VAL 1.23 -0.89 1 29 LEU 2.64 -1.40 1 31 ALA -0.53 0.41 1 32 GLU 1.86 -0.14 1 33 ASP -0.34 -0.32 1 35 SER -2.87 1.96 1 37 SER -0.94 0.50 1 38 THR 6.00 -2.10 1 39 LYS 3.00 -0.80 1 40 GLU -0.10 0.10 1 41 LEU 2.60 -0.20 1 43 LYS 3.96 -0.67 1 44 VAL 5.05 -1.46 1 45 MET 4.90 -1.64 1 46 ARG 4.02 -0.91 1 47 MET 3.96 -0.40 1 48 LEU -0.29 -0.32 1 50 GLN -3.17 1.50 1 51 ASN -0.84 0.79 1 53 THR 2.39 -1.78 1 55 GLU 4.95 -1.10 1 56 GLU 1.99 0.17 1 57 LEU 3.31 -0.41 1 58 GLN 3.70 -1.03 1 59 GLU 3.14 -0.54 1 60 MET 3.27 0.41 1 61 ILE 5.71 -0.93 1 62 ASP 3.64 -0.71 1 63 GLU 0.35 0.85 1 64 VAL 1.50 -0.60 1 65 ASP 0.56 -1.97 1 66 GLU 2.00 0.51 1 67 ASP -0.41 -1.30 1 69 SER 0.85 0.92 1 71 THR -6.63 3.15 1 72 VAL -2.08 0.79 1 73 ASP -2.38 0.69 1 74 PHE 4.71 -1.00 1 75 ASP 4.52 -0.78 1 76 GLU 1.71 0.13 1 77 PHE 3.25 0.12 1 78 LEU 3.84 -0.87 1 79 VAL 6.36 -1.99 1 80 MET 3.98 -0.22 1 81 MET 2.81 -2.11 1 82 VAL 5.18 -1.67 1 83 ARG 3.84 -0.86 1 84 SER 2.17 -0.22 1 85 MET 0.87 0.73 1 86 LYS 0.47 -0.04 1 87 ASP 0.01 0.12 1 88 ASP 0.23 0.03 1 89 SER 0.81 -0.11 1 90 LYS 0.53 -0.20 1 92 LYS -0.74 0.67 1 93 SER -1.12 0.87 1 94 GLU 3.36 -0.53 1 95 GLU 3.11 -0.42 1 96 GLU 2.05 0.17 1 97 LEU 3.40 -0.46 1 99 ASP 3.80 -0.67 1 100 LEU 2.72 0.11 1 101 PHE 4.80 -0.37 1 102 ARG 3.35 -0.62 1 103 MET 3.13 -0.55 1 104 TRP -1.25 0.71 1 105 ASP 1.12 -3.12 1 106 LYS 2.61 -0.33 1 107 ASN 0.67 -2.15 1 108 ALA 2.74 -2.12 1 109 ASP -0.93 -0.10 1 111 TYR -6.19 4.31 1 112 ILE -0.76 -0.33 1 113 ASP -2.91 0.69 1 114 LEU 4.16 -0.27 1 115 ASP 3.91 -0.43 1 116 GLU 1.76 0.19 1 117 LEU 2.79 -0.21 1 118 LYS 5.10 -0.68 1 119 ILE 4.28 -0.86 1 120 MET 3.18 -0.35 1 121 LEU 2.79 -1.08 1 122 GLN 3.18 -0.90 1 123 ALA 1.58 0.18 1 124 THR 0.25 0.31 1 126 GLU -1.16 0.62 1 127 THR 1.51 -0.82 1 128 ILE -2.54 0.94 1 129 THR -2.95 1.76 1 130 GLU 4.19 -0.74 1 131 ASP 3.44 -0.58 1 132 ASP 6.46 -0.46 1 133 ILE 4.88 -1.22 1 134 GLU 3.96 -0.66 1 135 GLU 3.18 -0.55 1 136 LEU 3.43 -0.38 1 137 MET 3.80 -1.76 1 138 LYS 4.01 -0.96 1 139 ASP 1.98 0.16 1 141 ASP 0.42 -1.50 1 142 LYS 1.68 -0.25 1 143 ASN 0.22 -1.71 1 144 ASN 3.11 -1.20 1 145 ASP -1.04 -0.17 1 147 ARG -5.28 3.30 1 148 ILE -2.03 0.42 1 149 ASP -2.58 0.75 1 150 TYR 4.77 -0.64 1 151 ASP 4.16 -0.50 1 152 GLU 1.74 0.18 1 153 PHE 3.77 0.28 1 154 LEU 3.85 -0.77 1 155 GLU 2.30 -0.14 1 156 PHE 1.78 0.36 1 157 MET 1.19 -1.89 1 158 LYS 2.66 -0.63 1 160 VAL 0.18 -0.18 1 161 GLU 0.24 1.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15385_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 0.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.25 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ILE 7.25 0.17 0 10 GLU 2.16 -0.31 1 11 GLN -0.10 -0.06 1 12 LEU -0.73 0.16 1 13 THR -2.37 0.07 1 14 GLU 3.70 -0.39 1 15 GLU 4.20 -0.32 1 16 GLN 3.00 -0.55 1 17 LYS 6.47 -0.47 1 18 ASN 3.90 -0.21 1 19 GLU 3.60 -0.18 1 20 PHE 2.78 0.41 1 21 LYS 3.51 -0.38 1 22 ALA 3.40 -0.16 1 23 ALA 2.59 -0.07 1 24 PHE 3.74 -1.01 1 25 ASP 3.35 -0.29 1 26 ILE 4.10 -0.51 1 27 PHE 1.86 -0.26 1 28 VAL 1.23 -0.20 1 29 LEU 2.64 -0.24 1 31 ALA -0.53 0.05 1 32 GLU 1.86 0.04 1 33 ASP -0.34 0.04 1 35 SER -2.87 0.55 1 37 SER -0.94 0.23 1 38 THR 6.00 -0.58 1 39 LYS 3.00 -0.08 1 40 GLU -0.10 0.01 1 41 LEU 2.60 -0.50 1 43 LYS 3.96 -0.34 1 44 VAL 5.05 -0.63 1 45 MET 4.90 -0.39 1 46 ARG 4.02 0.25 1 47 MET 3.96 -0.19 1 48 LEU -0.29 0.20 1 50 GLN -3.17 0.17 1 51 ASN -0.84 0.07 1 53 THR 2.39 0.00 1 55 GLU 4.95 -0.33 1 56 GLU 1.99 -0.34 1 57 LEU 3.31 -0.31 1 58 GLN 3.70 -0.51 1 59 GLU 3.14 -0.28 1 60 MET 3.27 -0.49 1 61 ILE 5.71 -0.86 1 62 ASP 3.64 -0.34 1 63 GLU 0.35 -0.14 1 64 VAL 1.50 0.09 1 65 ASP 0.56 0.34 1 66 GLU 2.00 -0.30 1 67 ASP -0.41 0.01 1 69 SER 0.85 -0.26 1 71 THR -6.63 0.65 1 72 VAL -2.08 1.00 1 73 ASP -2.38 0.54 1 74 PHE 4.71 -1.20 1 75 ASP 4.52 -0.15 1 76 GLU 1.71 -0.24 1 77 PHE 3.25 -0.70 1 78 LEU 3.84 -0.97 1 79 VAL 6.36 -0.87 1 80 MET 3.98 -0.86 1 81 MET 2.81 -0.46 1 82 VAL 5.18 -0.18 1 83 ARG 3.84 -0.50 1 84 SER 2.17 -0.21 1 85 MET 0.87 -0.17 1 86 LYS 0.47 -0.01 1 87 ASP 0.01 0.03 1 88 ASP 0.23 0.03 1 89 SER 0.81 -0.06 1 90 LYS 0.53 0.05 1 92 LYS -0.74 0.11 1 93 SER -1.12 0.02 1 94 GLU 3.36 -0.27 1 95 GLU 3.11 -0.22 1 96 GLU 2.05 -0.11 1 97 LEU 3.40 0.01 1 99 ASP 3.80 0.02 1 100 LEU 2.72 -0.20 1 101 PHE 4.80 -1.36 1 102 ARG 3.35 -0.41 1 103 MET 3.13 -0.60 1 104 TRP -1.25 0.18 1 105 ASP 1.12 -0.12 1 106 LYS 2.61 -0.37 1 107 ASN 0.67 -0.01 1 108 ALA 2.74 -0.29 1 109 ASP -0.93 0.06 1 111 TYR -6.19 0.74 1 112 ILE -0.76 0.75 1 113 ASP -2.91 0.21 1 114 LEU 4.16 -0.39 1 115 ASP 3.91 -0.27 1 116 GLU 1.76 -0.24 1 117 LEU 2.79 -0.45 1 118 LYS 5.10 -0.56 1 119 ILE 4.28 -0.42 1 120 MET 3.18 0.00 1 121 LEU 2.79 -0.31 1 122 GLN 3.18 -0.11 1 123 ALA 1.58 0.00 1 124 THR 0.25 0.05 1 126 GLU -1.16 0.04 1 127 THR 1.51 -0.06 1 128 ILE -2.54 0.43 1 129 THR -2.95 0.24 1 130 GLU 4.19 -0.37 1 131 ASP 3.44 -0.24 1 132 ASP 6.46 -0.29 1 133 ILE 4.88 -0.57 1 134 GLU 3.96 -0.47 1 135 GLU 3.18 -0.28 1 136 LEU 3.43 -0.17 1 137 MET 3.80 -0.32 1 138 LYS 4.01 -0.26 1 139 ASP 1.98 -0.13 1 141 ASP 0.42 -0.02 1 142 LYS 1.68 -0.12 1 143 ASN 0.22 0.11 1 144 ASN 3.11 -0.25 1 145 ASP -1.04 0.08 1 147 ARG -5.28 0.47 1 148 ILE -2.03 1.09 1 149 ASP -2.58 0.59 1 150 TYR 4.77 -1.22 1 151 ASP 4.16 -0.48 1 152 GLU 1.74 -0.23 1 153 PHE 3.77 -0.54 1 154 LEU 3.85 -0.67 1 155 GLU 2.30 -0.31 1 156 PHE 1.78 -0.24 1 157 MET 1.19 -0.32 1 158 LYS 2.66 -0.24 1 160 VAL 0.18 -0.05 1 161 GLU 0.24 -0.26 1 stop_ save_