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 bmr15996_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 -3.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.24 _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 129 GLU 0.84 4.27 0 58 HIS 3.59 5.95 0 10 ALA -0.09 -0.24 1 11 VAL -0.17 -0.15 1 13 LYS -0.47 -0.76 1 15 GLN 1.47 -1.21 1 16 ARG 3.55 3.24 1 17 TRP 0.86 -0.62 1 18 GLU -8.35 -2.60 1 19 LYS -5.34 -2.47 1 20 LEU -0.95 -0.41 1 21 GLN -3.48 -0.04 1 22 ASN 3.67 1.97 1 23 SER 3.26 1.76 1 24 ARG -4.58 -2.08 1 26 VAL -5.71 -3.42 1 28 LYS 0.55 1.77 1 29 MET -0.66 -1.26 1 31 TYR 2.28 -0.40 1 32 GLU -0.14 -0.21 1 36 SER -2.79 -3.01 1 37 LEU 0.45 1.63 1 38 ASP -1.25 0.44 1 39 VAL -5.96 -2.83 1 41 ALA -7.00 -1.63 1 42 GLN -5.36 -2.20 1 43 ASP -1.84 -0.86 1 44 GLU 2.46 2.35 1 45 ARG 2.65 1.99 1 46 SER -0.65 0.73 1 47 LYS 5.05 1.02 1 48 ARG 0.43 0.85 1 49 ILE -0.17 -0.40 1 50 LEU -2.58 -0.31 1 52 LEU -6.91 -2.35 1 53 THR -5.96 -2.89 1 54 VAL 7.01 5.69 1 56 LYS 4.34 4.64 1 57 MET 3.77 4.66 1 59 VAL 6.52 5.24 1 60 LEU 5.64 3.56 1 61 HIS 5.78 4.50 1 63 GLN 1.20 0.91 1 65 ARG -1.99 -1.91 1 66 ASN 0.39 0.59 1 67 TYR -4.74 -1.23 1 68 THR -2.93 -1.66 1 69 LEU 0.30 0.87 1 70 THR -0.71 -1.12 1 72 ARG 3.27 2.36 1 73 ASP 1.25 0.19 1 74 SER 0.61 1.52 1 76 THR 0.41 -0.07 1 77 LEU 0.58 -0.50 1 79 ALA -0.33 -0.40 1 80 SER 0.05 0.03 1 81 ALA -1.54 -0.58 1 82 GLU 0.14 0.17 1 83 LYS -3.63 -2.09 1 84 ALA -3.09 -1.74 1 87 ALA -1.72 -1.82 1 90 LEU 3.12 2.87 1 93 LYS -5.04 -2.20 1 100 LYS -3.64 -1.76 1 102 VAL -5.12 -3.19 1 104 ARG -2.23 1.13 1 105 GLU -1.29 -1.05 1 106 ALA 4.43 3.23 1 107 SER 2.73 1.40 1 108 GLU -1.52 -1.48 1 110 GLU 0.24 0.75 1 111 GLU -0.45 -0.82 1 112 GLU 1.10 1.86 1 114 PHE 2.41 2.37 1 115 SER 0.92 0.43 1 116 ILE -3.64 -1.32 1 118 VAL -5.86 -2.71 1 119 GLU -2.83 -1.47 1 120 VAL -2.08 -1.22 1 121 ASN 2.67 1.28 1 123 LYS -3.51 -1.59 1 124 GLU -1.78 -0.67 1 125 GLN -4.71 -0.92 1 126 THR 1.69 0.96 1 127 MET -4.92 -0.51 1 128 SER -2.63 -0.84 1 131 GLU 3.59 3.25 1 132 ALA 2.13 2.57 1 134 ALA 5.45 3.70 1 135 LEU 3.83 3.02 1 136 ARG 3.65 2.83 1 138 ARG 1.36 0.62 1 140 GLN -0.33 -0.71 1 141 SER 0.82 -0.27 1 142 ILE -4.75 -2.36 1 143 SER -2.70 -1.74 1 144 VAL 2.32 1.07 1 145 THR 0.82 0.00 1 146 SER -0.89 -1.29 1 147 ILE 4.05 1.28 1 148 ARG -0.64 0.17 1 151 ALA -0.14 -0.02 1 152 ALA -0.17 -0.01 1 153 GLU -0.37 -0.04 1 154 THR -0.03 0.08 1 155 GLN 0.72 1.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15996_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 4.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _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 129 GLU 0.84 3.43 0 58 HIS 3.59 2.36 0 10 ALA -0.09 -0.15 1 11 VAL -0.17 0.02 1 13 LYS -0.47 -0.29 1 15 GLN 1.47 -2.68 1 16 ARG 3.55 -0.31 1 17 TRP 0.86 -1.48 1 18 GLU -8.35 5.75 1 19 LYS -5.34 2.87 1 20 LEU -0.95 0.54 1 21 GLN -3.48 3.44 1 22 ASN 3.67 -1.70 1 23 SER 3.26 -1.50 1 24 ARG -4.58 2.50 1 26 VAL -5.71 2.29 1 28 LYS 0.55 1.22 1 29 MET -0.66 -0.60 1 31 TYR 2.28 -2.68 1 32 GLU -0.14 -0.07 1 36 SER -2.79 -0.22 1 37 LEU 0.45 1.18 1 38 ASP -1.25 1.69 1 39 VAL -5.96 3.13 1 41 ALA -7.00 5.37 1 42 GLN -5.36 3.16 1 43 ASP -1.84 0.98 1 44 GLU 2.46 -0.11 1 45 ARG 2.65 -0.66 1 46 SER -0.65 1.38 1 47 LYS 5.05 -4.03 1 48 ARG 0.43 0.42 1 49 ILE -0.17 -0.23 1 50 LEU -2.58 2.27 1 52 LEU -6.91 4.56 1 53 THR -5.96 3.07 1 54 VAL 7.01 -1.32 1 56 LYS 4.34 0.30 1 57 MET 3.77 0.89 1 59 VAL 6.52 -1.28 1 60 LEU 5.64 -2.08 1 61 HIS 5.78 -1.28 1 63 GLN 1.20 -0.29 1 65 ARG -1.99 0.08 1 66 ASN 0.39 0.20 1 67 TYR -4.74 3.51 1 68 THR -2.93 1.27 1 69 LEU 0.30 0.57 1 70 THR -0.71 -0.41 1 72 ARG 3.27 -0.91 1 73 ASP 1.25 -1.06 1 74 SER 0.61 0.91 1 76 THR 0.41 -0.48 1 77 LEU 0.58 -1.08 1 79 ALA -0.33 -0.07 1 80 SER 0.05 -0.02 1 81 ALA -1.54 0.96 1 82 GLU 0.14 0.03 1 83 LYS -3.63 1.54 1 84 ALA -3.09 1.35 1 87 ALA -1.72 -0.10 1 90 LEU 3.12 -0.25 1 93 LYS -5.04 2.84 1 100 LYS -3.64 1.88 1 102 VAL -5.12 1.93 1 104 ARG -2.23 3.36 1 105 GLU -1.29 0.24 1 106 ALA 4.43 -1.20 1 107 SER 2.73 -1.33 1 108 GLU -1.52 0.04 1 110 GLU 0.24 0.51 1 111 GLU -0.45 -0.37 1 112 GLU 1.10 0.76 1 114 PHE 2.41 -0.04 1 115 SER 0.92 -0.49 1 116 ILE -3.64 2.32 1 118 VAL -5.86 3.15 1 119 GLU -2.83 1.36 1 120 VAL -2.08 0.86 1 121 ASN 2.67 -1.39 1 123 LYS -3.51 1.92 1 124 GLU -1.78 1.11 1 125 GLN -4.71 3.79 1 126 THR 1.69 -0.73 1 127 MET -4.92 4.41 1 128 SER -2.63 1.79 1 131 GLU 3.59 -0.34 1 132 ALA 2.13 0.44 1 134 ALA 5.45 -1.75 1 135 LEU 3.83 -0.81 1 136 ARG 3.65 -0.82 1 138 ARG 1.36 -0.74 1 140 GLN -0.33 -0.38 1 141 SER 0.82 -1.09 1 142 ILE -4.75 2.39 1 143 SER -2.70 0.96 1 144 VAL 2.32 -1.25 1 145 THR 0.82 -0.82 1 146 SER -0.89 -0.40 1 147 ILE 4.05 -2.77 1 148 ARG -0.64 0.81 1 151 ALA -0.14 0.12 1 152 ALA -0.17 0.16 1 153 GLU -0.37 0.33 1 154 THR -0.03 0.11 1 155 GLN 0.72 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15996_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 43 ASP -1.84 -1.18 0 10 ALA -0.09 -0.03 1 11 VAL -0.17 -0.08 1 13 LYS -0.47 -0.09 1 15 GLN 1.47 -0.51 1 16 ARG 3.55 -0.51 1 17 TRP 0.86 0.12 1 18 GLU -8.35 0.81 1 19 LYS -5.34 0.26 1 20 LEU -0.95 0.29 1 21 GLN -3.48 0.11 1 22 ASN 3.67 -0.43 1 23 SER 3.26 -0.65 1 24 ARG -4.58 0.28 1 26 VAL -5.71 0.71 1 28 LYS 0.55 -0.37 1 29 MET -0.66 0.01 1 31 TYR 2.28 -0.02 1 32 GLU -0.14 -0.13 1 36 SER -2.79 0.53 1 37 LEU 0.45 -0.15 1 38 ASP -1.25 0.39 1 39 VAL -5.96 0.33 1 41 ALA -7.00 0.82 1 42 GLN -5.36 0.77 1 44 GLU 2.46 -0.44 1 45 ARG 2.65 -0.12 1 46 SER -0.65 -0.15 1 47 LYS 5.05 -0.47 1 48 ARG 0.43 -0.10 1 49 ILE -0.17 0.73 1 50 LEU -2.58 0.30 1 52 LEU -6.91 0.45 1 53 THR -5.96 1.17 1 54 VAL 7.01 -0.91 1 56 LYS 4.34 -0.59 1 57 MET 3.77 -0.79 1 58 HIS 3.59 -0.92 1 59 VAL 6.52 -0.34 1 60 LEU 5.64 -0.33 1 61 HIS 5.78 -0.38 1 63 GLN 1.20 -0.08 1 65 ARG -1.99 0.14 1 66 ASN 0.39 0.06 1 67 TYR -4.74 0.69 1 68 THR -2.93 0.16 1 69 LEU 0.30 0.09 1 70 THR -0.71 0.17 1 72 ARG 3.27 -0.19 1 73 ASP 1.25 0.10 1 74 SER 0.61 -0.28 1 76 THR 0.41 0.00 1 77 LEU 0.58 -0.20 1 79 ALA -0.33 -0.01 1 80 SER 0.05 -0.03 1 81 ALA -1.54 0.11 1 82 GLU 0.14 -0.12 1 83 LYS -3.63 0.14 1 84 ALA -3.09 0.26 1 87 ALA -1.72 0.28 1 90 LEU 3.12 -0.44 1 93 LYS -5.04 0.45 1 100 LYS -3.64 0.47 1 102 VAL -5.12 0.67 1 104 ARG -2.23 -0.17 1 105 GLU -1.29 0.03 1 106 ALA 4.43 -0.41 1 107 SER 2.73 -0.26 1 108 GLU -1.52 0.12 1 110 GLU 0.24 -0.08 1 111 GLU -0.45 0.02 1 112 GLU 1.10 -0.21 1 114 PHE 2.41 -0.45 1 115 SER 0.92 0.25 1 116 ILE -3.64 0.08 1 118 VAL -5.86 0.87 1 119 GLU -2.83 0.45 1 120 VAL -2.08 0.20 1 121 ASN 2.67 -0.40 1 123 LYS -3.51 0.37 1 124 GLU -1.78 0.69 1 125 GLN -4.71 0.29 1 126 THR 1.69 0.94 1 127 MET -4.92 0.33 1 128 SER -2.63 0.58 1 129 GLU 0.84 -0.36 1 131 GLU 3.59 -0.57 1 132 ALA 2.13 -0.33 1 134 ALA 5.45 -0.17 1 135 LEU 3.83 -0.37 1 136 ARG 3.65 0.06 1 138 ARG 1.36 -0.02 1 140 GLN -0.33 -0.03 1 141 SER 0.82 -0.05 1 142 ILE -4.75 0.75 1 143 SER -2.70 0.29 1 144 VAL 2.32 0.09 1 145 THR 0.82 0.00 1 146 SER -0.89 0.05 1 147 ILE 4.05 0.11 1 148 ARG -0.64 0.40 1 151 ALA -0.14 -0.08 1 152 ALA -0.17 -0.08 1 153 GLU -0.37 -0.04 1 154 THR -0.03 -0.05 1 155 GLN 0.72 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15996_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 1.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.51 _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 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 GLU -8.35 1.15 0 52 LEU -6.91 -2.35 0 134 ALA 5.45 -5.66 0 23 SER 3.26 5.29 0 10 ALA -0.09 -3.14 1 11 VAL -0.17 2.86 1 13 LYS -0.47 -0.95 1 15 GLN 1.47 -1.58 1 16 ARG 3.55 -0.38 1 17 TRP 0.86 3.25 1 19 LYS -5.34 1.87 1 20 LEU -0.95 -3.09 1 21 GLN -3.48 0.79 1 22 ASN 3.67 2.21 1 24 ARG -4.58 1.53 1 26 VAL -5.71 0.25 1 28 LYS 0.55 0.39 1 29 MET -0.66 -0.53 1 31 TYR 2.28 0.19 1 32 GLU -0.14 -2.16 1 36 SER -2.79 4.56 1 37 LEU 0.45 -1.41 1 38 ASP -1.25 0.61 1 39 VAL -5.96 2.14 1 41 ALA -7.00 -0.01 1 42 GLN -5.36 0.57 1 43 ASP -1.84 -1.45 1 44 GLU 2.46 -1.67 1 45 ARG 2.65 -1.49 1 46 SER -0.65 2.00 1 47 LYS 5.05 -0.35 1 48 ARG 0.43 0.64 1 49 ILE -0.17 -0.28 1 50 LEU -2.58 3.39 1 53 THR -5.96 2.61 1 54 VAL 7.01 -1.41 1 56 LYS 4.34 -2.76 1 57 MET 3.77 -3.56 1 58 HIS 3.59 -1.07 1 59 VAL 6.52 -2.37 1 60 LEU 5.64 -4.88 1 61 HIS 5.78 -0.86 1 63 GLN 1.20 0.15 1 65 ARG -1.99 1.09 1 66 ASN 0.39 3.24 1 67 TYR -4.74 0.78 1 68 THR -2.93 3.42 1 69 LEU 0.30 -2.78 1 70 THR -0.71 1.94 1 72 ARG 3.27 -0.14 1 73 ASP 1.25 -0.94 1 74 SER 0.61 5.01 1 76 THR 0.41 3.61 1 77 LEU 0.58 1.41 1 79 ALA -0.33 -3.94 1 80 SER 0.05 3.25 1 81 ALA -1.54 -3.02 1 82 GLU 0.14 -0.84 1 83 LYS -3.63 0.53 1 84 ALA -3.09 -2.83 1 87 ALA -1.72 -2.29 1 93 LYS -5.04 1.04 1 100 LYS -3.64 0.05 1 102 VAL -5.12 -0.22 1 104 ARG -2.23 -1.70 1 105 GLU -1.29 -2.82 1 106 ALA 4.43 -5.67 1 107 SER 2.73 2.11 1 108 GLU -1.52 -2.15 1 110 GLU 0.24 -0.43 1 111 GLU -0.45 -0.44 1 112 GLU 1.10 -2.23 1 114 PHE 2.41 0.67 1 115 SER 0.92 4.16 1 116 ILE -3.64 3.34 1 118 VAL -5.86 1.72 1 119 GLU -2.83 0.05 1 120 VAL -2.08 0.12 1 121 ASN 2.67 1.37 1 123 LYS -3.51 0.01 1 124 GLU -1.78 -0.90 1 125 GLN -4.71 1.63 1 126 THR 1.69 2.09 1 127 MET -4.92 2.20 1 128 SER -2.63 1.54 1 129 GLU 0.84 -3.44 1 131 GLU 3.59 -3.32 1 132 ALA 2.13 -5.23 1 138 ARG 1.36 -0.63 1 140 GLN -0.33 0.48 1 141 SER 0.82 3.21 1 142 ILE -4.75 0.34 1 143 SER -2.70 4.28 1 144 VAL 2.32 -0.05 1 145 THR 0.82 1.21 1 146 SER -0.89 3.28 1 147 ILE 4.05 2.91 1 148 ARG -0.64 6.02 1 151 ALA -0.14 -2.82 1 152 ALA -0.17 -3.48 1 153 GLU -0.37 -1.28 1 154 THR -0.03 3.63 1 155 GLN 0.72 -4.49 1 stop_ save_