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 bmr15049_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 5.02 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 148 ALA -7.11 -2.42 0 10 ASN 0.40 0.19 1 11 VAL -0.38 -0.27 1 12 THR -0.60 -0.25 1 13 LEU -3.19 -0.62 1 14 THR -1.97 -0.41 1 15 ILE -4.46 -1.63 1 16 ARG -3.65 -1.33 1 17 LEU -5.04 -2.21 1 18 LEU -2.58 -1.13 1 19 MET -1.71 -1.05 1 20 HIS -0.97 0.13 1 22 LYS 3.66 2.80 1 23 GLU -0.09 2.07 1 24 VAL 5.70 4.05 1 26 SER 3.60 2.67 1 27 ILE 3.41 2.46 1 30 LYS 3.35 2.45 1 31 LYS 1.81 0.05 1 33 GLU 3.16 2.38 1 34 SER 4.46 2.64 1 35 VAL 4.86 2.72 1 36 LYS 4.58 4.21 1 37 LYS 3.76 2.92 1 38 MET 4.75 4.24 1 39 ARG 5.99 4.24 1 40 GLU 2.95 2.63 1 41 GLU 1.65 1.68 1 42 SER 1.29 2.28 1 44 ALA -1.13 -1.59 1 45 ARG 0.58 0.02 1 46 ILE -2.30 -0.55 1 47 ASN -4.38 -1.03 1 48 ILE -1.46 -0.72 1 49 SER 1.53 1.22 1 50 GLU -1.17 -0.18 1 52 ASN 0.52 -0.28 1 55 GLU -1.37 -1.27 1 56 ARG -5.32 -2.48 1 58 ILE -1.86 -1.40 1 59 THR 0.26 0.46 1 60 LEU -4.23 -2.01 1 61 ALA -5.72 -1.70 1 64 THR 6.88 5.10 1 65 ASN 5.01 3.39 1 66 ALA 2.64 2.21 1 67 ILE 5.72 3.57 1 68 PHE 5.77 3.40 1 69 LYS 4.19 3.66 1 70 ALA 4.37 2.98 1 71 PHE 4.31 4.18 1 72 ALA 4.72 3.19 1 73 MET 3.60 3.93 1 75 ILE 5.34 3.89 1 77 LYS 2.22 1.20 1 78 LEU 3.85 2.68 1 79 GLU 3.03 2.14 1 80 GLU 2.95 2.45 1 81 ASP 2.87 2.48 1 82 ILE 3.47 2.98 1 83 SER 3.32 2.65 1 84 SER 2.29 1.80 1 85 SER 0.76 0.81 1 86 MET 1.09 0.21 1 87 THR 1.22 0.96 1 88 ASN 0.81 0.45 1 89 SER 0.13 0.25 1 90 THR 0.04 -0.07 1 91 ALA 1.01 0.84 1 92 ALA 0.39 0.42 1 93 SER -0.55 -0.55 1 97 VAL 0.43 0.43 1 98 THR -1.45 -0.25 1 99 LEU -5.14 -1.87 1 100 ARG -2.51 -1.24 1 101 LEU -3.29 -1.15 1 102 VAL 0.42 0.80 1 105 ALA 4.47 3.44 1 106 SER 3.86 2.15 1 107 GLN -0.02 0.72 1 110 SER 3.09 2.15 1 111 LEU 1.44 1.74 1 112 ILE 1.12 1.40 1 114 LYS 3.17 1.60 1 118 LYS 2.89 1.49 1 119 ILE 4.71 2.73 1 120 LYS 4.37 3.98 1 121 GLU 3.22 2.63 1 122 ILE 4.02 4.34 1 123 ARG 4.02 4.16 1 124 GLU 3.15 2.54 1 125 SER 2.49 2.20 1 126 THR -1.12 1.12 1 128 ALA -0.92 -0.87 1 129 GLN -1.70 -0.39 1 130 VAL -3.72 -1.76 1 131 GLN -2.09 -1.33 1 132 VAL 0.92 0.00 1 133 ALA -0.81 0.36 1 135 ASP -1.94 -1.07 1 136 MET -0.03 -0.09 1 139 ASN 1.61 0.56 1 140 SER -1.63 -0.15 1 141 THR 0.66 -0.64 1 142 GLU -4.39 -1.05 1 143 ARG -5.71 -2.08 1 144 ALA -2.95 -2.06 1 145 ILE -2.31 -1.14 1 146 THR 1.17 0.76 1 147 ILE -3.72 -1.10 1 152 GLN 5.04 3.74 1 153 SER 3.88 3.38 1 154 ILE 5.21 4.38 1 155 ILE 4.09 4.34 1 156 GLU 3.54 2.28 1 158 VAL 0.40 -0.10 1 159 LYS 0.44 1.77 1 160 GLN 3.53 3.97 1 163 VAL 6.89 4.37 1 164 VAL 5.07 3.43 1 165 MET 3.50 3.06 1 166 LEU 0.50 0.86 1 167 GLU 0.30 0.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15049_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 4.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 148 ALA -7.11 4.69 0 10 ASN 0.40 -0.21 1 11 VAL -0.38 0.11 1 12 THR -0.60 0.35 1 13 LEU -3.19 2.57 1 14 THR -1.97 1.56 1 15 ILE -4.46 2.83 1 16 ARG -3.65 2.32 1 17 LEU -5.04 2.83 1 18 LEU -2.58 1.45 1 19 MET -1.71 0.66 1 20 HIS -0.97 1.10 1 22 LYS 3.66 -0.86 1 23 GLU -0.09 2.16 1 24 VAL 5.70 -1.65 1 26 SER 3.60 -0.93 1 27 ILE 3.41 -0.95 1 30 LYS 3.35 -0.90 1 31 LYS 1.81 -1.76 1 33 GLU 3.16 -0.78 1 34 SER 4.46 -1.82 1 35 VAL 4.86 -2.14 1 36 LYS 4.58 -0.37 1 37 LYS 3.76 -0.84 1 38 MET 4.75 -0.51 1 39 ARG 5.99 -1.75 1 40 GLU 2.95 -0.32 1 41 GLU 1.65 0.03 1 42 SER 1.29 0.99 1 44 ALA -1.13 -0.46 1 45 ARG 0.58 -0.56 1 46 ILE -2.30 1.75 1 47 ASN -4.38 3.35 1 48 ILE -1.46 0.74 1 49 SER 1.53 -0.31 1 50 GLU -1.17 0.99 1 52 ASN 0.52 -0.80 1 55 GLU -1.37 0.10 1 56 ARG -5.32 2.84 1 58 ILE -1.86 0.46 1 59 THR 0.26 0.20 1 60 LEU -4.23 2.22 1 61 ALA -5.72 4.02 1 64 THR 6.88 -1.78 1 65 ASN 5.01 -1.62 1 66 ALA 2.64 -0.43 1 67 ILE 5.72 -2.15 1 68 PHE 5.77 -2.37 1 69 LYS 4.19 -0.53 1 70 ALA 4.37 -1.39 1 71 PHE 4.31 -0.13 1 72 ALA 4.72 -1.53 1 73 MET 3.60 0.33 1 75 ILE 5.34 -1.45 1 77 LYS 2.22 -1.02 1 78 LEU 3.85 -1.17 1 79 GLU 3.03 -0.89 1 80 GLU 2.95 -0.50 1 81 ASP 2.87 -0.39 1 82 ILE 3.47 -0.49 1 83 SER 3.32 -0.67 1 84 SER 2.29 -0.49 1 85 SER 0.76 0.05 1 86 MET 1.09 -0.88 1 87 THR 1.22 -0.26 1 88 ASN 0.81 -0.36 1 89 SER 0.13 0.12 1 90 THR 0.04 -0.11 1 91 ALA 1.01 -0.17 1 92 ALA 0.39 0.03 1 93 SER -0.55 0.00 1 97 VAL 0.43 0.00 1 98 THR -1.45 1.20 1 99 LEU -5.14 3.27 1 100 ARG -2.51 1.27 1 101 LEU -3.29 2.14 1 102 VAL 0.42 0.38 1 105 ALA 4.47 -1.03 1 106 SER 3.86 -1.71 1 107 GLN -0.02 0.74 1 110 SER 3.09 -0.94 1 111 LEU 1.44 0.30 1 112 ILE 1.12 0.28 1 114 LYS 3.17 -1.57 1 118 LYS 2.89 -1.40 1 119 ILE 4.71 -1.98 1 120 LYS 4.37 -0.39 1 121 GLU 3.22 -0.59 1 122 ILE 4.02 0.32 1 123 ARG 4.02 0.14 1 124 GLU 3.15 -0.61 1 125 SER 2.49 -0.29 1 126 THR -1.12 2.24 1 128 ALA -0.92 0.05 1 129 GLN -1.70 1.31 1 130 VAL -3.72 1.96 1 131 GLN -2.09 0.76 1 132 VAL 0.92 -0.92 1 133 ALA -0.81 1.17 1 135 ASP -1.94 0.87 1 136 MET -0.03 -0.06 1 139 ASN 1.61 -1.05 1 140 SER -1.63 1.48 1 141 THR 0.66 -1.30 1 142 GLU -4.39 3.34 1 143 ARG -5.71 3.63 1 144 ALA -2.95 0.89 1 145 ILE -2.31 1.17 1 146 THR 1.17 -0.41 1 147 ILE -3.72 2.62 1 152 GLN 5.04 -1.30 1 153 SER 3.88 -0.50 1 154 ILE 5.21 -0.83 1 155 ILE 4.09 0.25 1 156 GLU 3.54 -1.26 1 158 VAL 0.40 -0.50 1 159 LYS 0.44 1.33 1 160 GLN 3.53 0.44 1 163 VAL 6.89 -2.52 1 164 VAL 5.07 -1.64 1 165 MET 3.50 -0.44 1 166 LEU 0.50 0.36 1 167 GLU 0.30 -0.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15049_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 0.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _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 69 LYS 4.19 1.40 0 10 ASN 0.40 -0.60 1 11 VAL -0.38 0.10 1 12 THR -0.60 -0.10 1 13 LEU -3.19 0.01 1 14 THR -1.97 0.17 1 15 ILE -4.46 0.24 1 16 ARG -3.65 1.00 1 17 LEU -5.04 -0.29 1 18 LEU -2.58 0.76 1 19 MET -1.71 0.30 1 20 HIS -0.97 0.22 1 22 LYS 3.66 0.03 1 23 GLU -0.09 -0.46 1 24 VAL 5.70 -0.58 1 26 SER 3.60 -0.24 1 27 ILE 3.41 -0.08 1 30 LYS 3.35 -0.53 1 31 LYS 1.81 0.21 1 33 GLU 3.16 -0.29 1 34 SER 4.46 0.02 1 35 VAL 4.86 -0.08 1 36 LYS 4.58 -0.29 1 37 LYS 3.76 -0.45 1 38 MET 4.75 -0.32 1 39 ARG 5.99 -0.34 1 40 GLU 2.95 -0.41 1 41 GLU 1.65 -0.19 1 42 SER 1.29 -0.22 1 44 ALA -1.13 -0.07 1 45 ARG 0.58 0.91 1 46 ILE -2.30 0.69 1 47 ASN -4.38 0.38 1 48 ILE -1.46 0.08 1 49 SER 1.53 -0.29 1 50 GLU -1.17 -0.02 1 52 ASN 0.52 0.02 1 55 GLU -1.37 0.39 1 56 ARG -5.32 -0.52 1 58 ILE -1.86 0.54 1 59 THR 0.26 0.54 1 60 LEU -4.23 0.72 1 61 ALA -5.72 -0.07 1 64 THR 6.88 -0.01 1 65 ASN 5.01 -0.88 1 66 ALA 2.64 0.73 1 67 ILE 5.72 -0.78 1 68 PHE 5.77 -0.26 1 70 ALA 4.37 -0.28 1 71 PHE 4.31 -0.66 1 72 ALA 4.72 -0.46 1 73 MET 3.60 -0.36 1 75 ILE 5.34 -0.73 1 77 LYS 2.22 -0.19 1 78 LEU 3.85 0.41 1 79 GLU 3.03 -0.49 1 80 GLU 2.95 -0.33 1 81 ASP 2.87 -0.15 1 82 ILE 3.47 -0.28 1 83 SER 3.32 -0.22 1 84 SER 2.29 -0.11 1 85 SER 0.76 0.03 1 86 MET 1.09 0.09 1 87 THR 1.22 -0.11 1 88 ASN 0.81 -0.28 1 89 SER 0.13 0.02 1 90 THR 0.04 -0.66 1 91 ALA 1.01 -0.10 1 92 ALA 0.39 -0.06 1 93 SER -0.55 -0.04 1 97 VAL 0.43 -0.14 1 98 THR -1.45 -0.40 1 99 LEU -5.14 0.35 1 100 ARG -2.51 0.91 1 101 LEU -3.29 0.62 1 102 VAL 0.42 0.38 1 105 ALA 4.47 -0.36 1 106 SER 3.86 0.27 1 107 GLN -0.02 0.21 1 110 SER 3.09 -0.21 1 111 LEU 1.44 0.75 1 112 ILE 1.12 -0.09 1 114 LYS 3.17 -0.23 1 118 LYS 2.89 -0.09 1 119 ILE 4.71 -0.19 1 120 LYS 4.37 -0.34 1 121 GLU 3.22 -0.52 1 122 ILE 4.02 0.51 1 123 ARG 4.02 -0.26 1 124 GLU 3.15 -0.34 1 125 SER 2.49 -0.20 1 126 THR -1.12 -0.39 1 128 ALA -0.92 0.13 1 129 GLN -1.70 0.10 1 130 VAL -3.72 0.99 1 131 GLN -2.09 0.29 1 132 VAL 0.92 0.08 1 133 ALA -0.81 0.02 1 135 ASP -1.94 0.02 1 136 MET -0.03 -0.02 1 139 ASN 1.61 -0.31 1 140 SER -1.63 -0.22 1 141 THR 0.66 0.19 1 142 GLU -4.39 0.40 1 143 ARG -5.71 0.38 1 144 ALA -2.95 -0.13 1 145 ILE -2.31 0.52 1 146 THR 1.17 0.74 1 147 ILE -3.72 0.83 1 148 ALA -7.11 0.05 1 152 GLN 5.04 -0.41 1 153 SER 3.88 -0.14 1 154 ILE 5.21 -0.84 1 155 ILE 4.09 -0.32 1 156 GLU 3.54 -0.44 1 159 LYS 0.44 0.20 1 160 GLN 3.53 0.33 1 163 VAL 6.89 -0.46 1 164 VAL 5.07 -0.37 1 165 MET 3.50 -0.33 1 166 LEU 0.50 -0.07 1 167 GLU 0.30 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15049_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 6.88 _LACS_plot.Line_2_terminator_val_y_2 3.03 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 THR 6.88 0.58 0 20 HIS -0.97 2.49 0 148 ALA -7.11 -1.14 0 10 ASN 0.40 -0.44 1 11 VAL -0.38 -0.72 1 12 THR -0.60 -1.71 1 13 LEU -3.19 -2.51 1 14 THR -1.97 -1.12 1 15 ILE -4.46 -3.00 1 16 ARG -3.65 -1.89 1 17 LEU -5.04 -1.60 1 18 LEU -2.58 -1.51 1 19 MET -1.71 -1.55 1 22 LYS 3.66 2.07 1 23 GLU -0.09 1.85 1 24 VAL 5.70 1.34 1 26 SER 3.60 0.89 1 27 ILE 3.41 -0.19 1 31 LYS 1.81 0.30 1 33 GLU 3.16 1.99 1 34 SER 4.46 2.03 1 35 VAL 4.86 0.24 1 36 LYS 4.58 1.64 1 37 LYS 3.76 1.92 1 38 MET 4.75 4.27 1 39 ARG 5.99 2.33 1 40 GLU 2.95 2.55 1 41 GLU 1.65 1.49 1 42 SER 1.29 0.34 1 44 ALA -1.13 -0.85 1 45 ARG 0.58 -0.18 1 46 ILE -2.30 -1.73 1 47 ASN -4.38 -2.32 1 48 ILE -1.46 -0.47 1 49 SER 1.53 -0.30 1 50 GLU -1.17 0.23 1 52 ASN 0.52 -0.33 1 55 GLU -1.37 -0.82 1 56 ARG -5.32 -2.47 1 58 ILE -1.86 -1.64 1 59 THR 0.26 -1.26 1 60 LEU -4.23 -3.01 1 61 ALA -5.72 -1.94 1 65 ASN 5.01 2.43 1 66 ALA 2.64 1.75 1 67 ILE 5.72 2.04 1 68 PHE 5.77 3.24 1 69 LYS 4.19 2.04 1 70 ALA 4.37 1.64 1 71 PHE 4.31 1.42 1 72 ALA 4.72 3.01 1 73 MET 3.60 2.79 1 75 ILE 5.34 1.22 1 77 LYS 2.22 2.26 1 78 LEU 3.85 2.73 1 79 GLU 3.03 1.87 1 80 GLU 2.95 2.09 1 81 ASP 2.87 2.19 1 82 ILE 3.47 1.97 1 83 SER 3.32 1.50 1 84 SER 2.29 0.59 1 85 SER 0.76 0.11 1 86 MET 1.09 0.26 1 87 THR 1.22 -0.08 1 88 ASN 0.81 0.00 1 89 SER 0.13 0.35 1 90 THR 0.04 0.03 1 91 ALA 1.01 -0.04 1 92 ALA 0.39 -0.15 1 93 SER -0.55 -0.84 1 97 VAL 0.43 -1.98 1 98 THR -1.45 -1.42 1 99 LEU -5.14 -2.81 1 100 ARG -2.51 -1.99 1 101 LEU -3.29 -1.64 1 102 VAL 0.42 -0.30 1 105 ALA 4.47 2.90 1 106 SER 3.86 1.54 1 107 GLN -0.02 2.72 1 110 SER 3.09 0.29 1 111 LEU 1.44 -1.77 1 112 ILE 1.12 1.54 1 114 LYS 3.17 2.55 1 118 LYS 2.89 1.49 1 119 ILE 4.71 0.78 1 120 LYS 4.37 1.35 1 121 GLU 3.22 3.16 1 122 ILE 4.02 -1.02 1 123 ARG 4.02 3.06 1 124 GLU 3.15 2.15 1 125 SER 2.49 2.04 1 126 THR -1.12 1.68 1 128 ALA -0.92 -1.02 1 129 GLN -1.70 -0.30 1 130 VAL -3.72 -1.69 1 131 GLN -2.09 -1.98 1 132 VAL 0.92 -0.79 1 133 ALA -0.81 0.46 1 135 ASP -1.94 -0.89 1 136 MET -0.03 0.20 1 139 ASN 1.61 -0.72 1 140 SER -1.63 -0.43 1 141 THR 0.66 -0.11 1 142 GLU -4.39 -2.00 1 143 ARG -5.71 -2.64 1 144 ALA -2.95 -1.06 1 145 ILE -2.31 -0.70 1 146 THR 1.17 -0.89 1 147 ILE -3.72 -2.83 1 152 GLN 5.04 2.24 1 153 SER 3.88 1.34 1 154 ILE 5.21 1.45 1 155 ILE 4.09 0.85 1 156 GLU 3.54 1.80 1 158 VAL 0.40 -0.36 1 159 LYS 0.44 0.39 1 160 GLN 3.53 3.46 1 163 VAL 6.89 1.99 1 164 VAL 5.07 2.54 1 165 MET 3.50 1.13 1 166 LEU 0.50 0.09 1 167 GLU 0.30 -0.64 1 stop_ save_