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 bmr27614_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 -2.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 5.61 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 HIS -1.83 1.76 0 54 GLU -4.64 -3.10 0 14 MET 1.50 1.24 1 15 LYS 2.28 1.75 1 16 ALA 1.60 2.93 1 19 VAL 4.81 3.53 1 20 LEU 4.08 3.07 1 21 HIS 0.35 3.72 1 23 GLU 2.49 2.23 1 25 ASN 4.16 2.71 1 26 ARG 4.18 3.94 1 27 LEU 3.75 2.92 1 28 PHE 4.41 4.84 1 29 LYS 4.08 3.26 1 30 LEU -0.74 0.06 1 32 ARG 0.57 -2.19 1 33 TYR 4.68 4.10 1 35 GLU 2.31 3.21 1 36 ALA 3.81 3.40 1 38 SER 4.17 3.47 1 39 LYS 3.90 1.56 1 40 TYR 3.23 2.00 1 41 GLN 4.18 4.14 1 42 GLU 3.39 3.42 1 43 ALA 3.06 2.81 1 44 ILE 6.10 5.80 1 45 ILE 4.76 4.15 1 47 LEU 2.45 3.18 1 48 ARG 4.37 3.22 1 49 ASN 4.00 3.40 1 50 LEU 3.38 2.90 1 51 GLN 3.03 3.42 1 52 THR 3.58 3.52 1 53 LYS 0.40 -0.11 1 55 LYS -1.76 -2.14 1 58 GLU -1.09 -0.44 1 59 VAL 6.10 5.57 1 60 GLN 5.22 3.58 1 62 LEU 2.44 2.64 1 63 LYS 4.86 3.98 1 64 LEU 3.03 2.62 1 65 GLU 2.16 1.52 1 66 LYS 4.10 3.38 1 67 MET 2.75 3.62 1 68 ILE 6.41 5.42 1 69 ASN 4.88 3.20 1 70 THR 5.77 5.06 1 71 LEU 2.78 3.10 1 72 ILE 5.52 4.63 1 73 LEU 5.75 3.93 1 74 ASN 6.03 3.55 1 75 TYR 4.42 3.88 1 77 GLN 4.95 4.35 1 79 LEU 3.96 2.91 1 80 LEU 3.69 3.31 1 81 LYS 2.68 0.66 1 82 LYS 0.48 -0.42 1 83 GLU 4.27 0.46 1 84 GLU -0.33 -2.55 1 85 TYR 2.82 2.92 1 86 TYR 6.86 4.89 1 87 GLU 3.83 3.18 1 88 VAL 6.81 5.04 1 89 LEU 5.01 3.76 1 90 GLU 3.84 3.27 1 91 HIS 2.28 4.82 1 92 THR 4.95 4.18 1 94 ASP 3.94 3.71 1 95 ILE 4.73 4.85 1 96 LEU 1.38 1.81 1 97 ARG 3.57 2.91 1 99 HIS -2.10 0.12 1 102 ILE 3.22 0.21 1 103 VAL 5.70 5.13 1 104 LYS 3.38 3.15 1 105 ALA 4.74 2.85 1 106 TYR 4.16 4.70 1 107 TYR 3.44 3.81 1 108 VAL 5.26 4.38 1 109 ARG 6.66 6.09 1 110 ALA 3.51 3.44 1 111 ARG 4.06 2.60 1 112 ALA 3.92 2.93 1 113 HIS 1.50 4.18 1 114 ALA 3.26 2.89 1 115 GLU 3.26 0.73 1 116 VAL 0.48 -1.90 1 117 TRP 7.01 2.20 1 118 ASN -0.14 -2.43 1 119 GLU 3.90 4.09 1 120 ALA 4.00 2.94 1 121 GLU 7.04 3.53 1 122 ALA 4.03 3.46 1 123 LYS 5.20 4.59 1 124 ALA 3.78 2.84 1 125 ASP 4.19 3.93 1 126 LEU 4.62 3.03 1 127 GLN 4.74 3.12 1 128 LYS 3.89 1.27 1 129 VAL 7.22 5.27 1 130 LEU 2.25 2.01 1 131 GLU 1.80 2.11 1 132 LEU 0.24 1.59 1 133 GLU -2.59 -0.80 1 135 SER 3.83 2.60 1 136 MET 1.64 0.46 1 137 GLN 5.64 5.25 1 138 LYS 5.79 4.56 1 139 ALA 3.63 2.70 1 140 VAL 6.46 5.25 1 141 ARG 5.49 4.16 1 142 ARG 5.31 4.00 1 143 GLU 2.63 2.33 1 144 LEU 3.49 2.97 1 145 ARG 4.31 3.23 1 146 LEU 3.91 3.10 1 147 LEU 3.48 3.03 1 148 GLU 3.23 2.84 1 149 ASN 3.15 2.76 1 150 ARG 3.41 2.78 1 151 MET 2.93 0.93 1 152 ALA 1.57 1.35 1 153 GLU -0.42 0.11 1 154 LYS 0.65 0.54 1 155 GLN 0.66 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27614_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 2.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _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 7.21 _LACS_plot.Line_2_terminator_val_y_2 -1.60 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 HIS -1.83 3.59 0 54 GLU -4.64 1.54 0 14 MET 1.50 -0.26 1 15 LYS 2.28 -0.53 1 16 ALA 1.60 1.33 1 19 VAL 4.81 -1.28 1 20 LEU 4.08 -1.01 1 21 HIS 0.35 3.37 1 23 GLU 2.49 -0.26 1 25 ASN 4.16 -1.45 1 26 ARG 4.18 -0.24 1 27 LEU 3.75 -0.83 1 28 PHE 4.41 0.43 1 29 LYS 4.08 -0.82 1 30 LEU -0.74 0.80 1 32 ARG 0.57 -2.76 1 33 TYR 4.68 -0.58 1 35 GLU 2.31 0.90 1 36 ALA 3.81 -0.41 1 38 SER 4.17 -0.70 1 39 LYS 3.90 -2.34 1 40 TYR 3.23 -1.23 1 41 GLN 4.18 -0.04 1 42 GLU 3.39 0.03 1 43 ALA 3.06 -0.25 1 44 ILE 6.10 -0.30 1 45 ILE 4.76 -0.61 1 47 LEU 2.45 0.73 1 48 ARG 4.37 -1.15 1 49 ASN 4.00 -0.60 1 50 LEU 3.38 -0.48 1 51 GLN 3.03 0.39 1 52 THR 3.58 -0.06 1 53 LYS 0.40 -0.51 1 55 LYS -1.76 -0.38 1 58 GLU -1.09 0.65 1 59 VAL 6.10 -0.53 1 60 GLN 5.22 -1.64 1 62 LEU 2.44 0.20 1 63 LYS 4.86 -0.88 1 64 LEU 3.03 -0.41 1 65 GLU 2.16 -0.64 1 66 LYS 4.10 -0.72 1 67 MET 2.75 0.87 1 68 ILE 6.41 -0.99 1 69 ASN 4.88 -1.68 1 70 THR 5.77 -0.71 1 71 LEU 2.78 0.32 1 72 ILE 5.52 -0.89 1 73 LEU 5.75 -1.82 1 74 ASN 6.03 -2.48 1 75 TYR 4.42 -0.54 1 77 GLN 4.95 -0.60 1 79 LEU 3.96 -1.05 1 80 LEU 3.69 -0.38 1 81 LYS 2.68 -2.02 1 82 LYS 0.48 -0.90 1 83 GLU 4.27 -3.81 1 84 GLU -0.33 -2.22 1 85 TYR 2.82 0.10 1 86 TYR 6.86 -1.97 1 87 GLU 3.83 -0.65 1 88 VAL 6.81 -1.77 1 89 LEU 5.01 -1.25 1 90 GLU 3.84 -0.57 1 91 HIS 2.28 2.54 1 92 THR 4.95 -0.77 1 94 ASP 3.94 -0.23 1 95 ILE 4.73 0.12 1 96 LEU 1.38 0.43 1 97 ARG 3.57 -0.66 1 99 HIS -2.10 2.22 1 102 ILE 3.22 -3.01 1 103 VAL 5.70 -0.57 1 104 LYS 3.38 -0.23 1 105 ALA 4.74 -1.89 1 106 TYR 4.16 0.54 1 107 TYR 3.44 0.37 1 108 VAL 5.26 -0.88 1 109 ARG 6.66 -0.57 1 110 ALA 3.51 -0.07 1 111 ARG 4.06 -1.46 1 112 ALA 3.92 -0.99 1 113 HIS 1.50 2.68 1 114 ALA 3.26 -0.37 1 115 GLU 3.26 -2.53 1 116 VAL 0.48 -2.38 1 117 TRP 7.01 -4.81 1 118 ASN -0.14 -2.29 1 119 GLU 3.90 0.19 1 120 ALA 4.00 -1.06 1 121 GLU 7.04 -3.51 1 122 ALA 4.03 -0.57 1 123 LYS 5.20 -0.61 1 124 ALA 3.78 -0.94 1 125 ASP 4.19 -0.26 1 126 LEU 4.62 -1.59 1 127 GLN 4.74 -1.62 1 128 LYS 3.89 -2.62 1 129 VAL 7.22 -1.95 1 130 LEU 2.25 -0.24 1 131 GLU 1.80 0.31 1 132 LEU 0.24 1.35 1 133 GLU -2.59 1.79 1 135 SER 3.83 -1.23 1 136 MET 1.64 -1.18 1 137 GLN 5.64 -0.39 1 138 LYS 5.79 -1.23 1 139 ALA 3.63 -0.93 1 140 VAL 6.46 -1.21 1 141 ARG 5.49 -1.33 1 142 ARG 5.31 -1.31 1 143 GLU 2.63 -0.30 1 144 LEU 3.49 -0.52 1 145 ARG 4.31 -1.08 1 146 LEU 3.91 -0.81 1 147 LEU 3.48 -0.45 1 148 GLU 3.23 -0.39 1 149 ASN 3.15 -0.39 1 150 ARG 3.41 -0.63 1 151 MET 2.93 -2.00 1 152 ALA 1.57 -0.22 1 153 GLU -0.42 0.53 1 154 LYS 0.65 -0.11 1 155 GLN 0.66 1.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27614_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 0.39 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 GLU 4.27 -1.52 0 14 MET 1.50 -0.13 1 15 LYS 2.28 -0.17 1 16 ALA 1.60 -0.26 1 19 VAL 4.81 -0.26 1 20 LEU 4.08 -0.62 1 21 HIS 0.35 -0.46 1 23 GLU 2.49 0.08 1 26 ARG 4.18 -0.29 1 27 LEU 3.75 -0.42 1 28 PHE 4.41 -0.90 1 29 LYS 4.08 -0.24 1 30 LEU -0.74 -0.03 1 32 ARG 0.57 0.10 1 35 GLU 2.31 -0.23 1 36 ALA 3.81 -0.50 1 38 SER 4.17 -0.06 1 39 LYS 3.90 -0.09 1 40 TYR 3.23 -0.10 1 41 GLN 4.18 -0.55 1 42 GLU 3.39 -0.39 1 43 ALA 3.06 -0.32 1 44 ILE 6.10 -0.84 1 45 ILE 4.76 -0.57 1 47 LEU 2.45 -0.32 1 48 ARG 4.37 -0.43 1 49 ASN 4.00 -0.16 1 51 GLN 3.03 -0.66 1 52 THR 3.58 0.04 1 53 LYS 0.40 0.15 1 54 GLU -4.64 0.52 1 58 GLU -1.09 0.49 1 59 VAL 6.10 -0.31 1 62 LEU 2.44 -0.22 1 63 LYS 4.86 -0.28 1 64 LEU 3.03 -0.31 1 65 GLU 2.16 -0.58 1 66 LYS 4.10 -0.32 1 67 MET 2.75 -0.36 1 68 ILE 6.41 -0.90 1 69 ASN 4.88 -0.43 1 70 THR 5.77 -0.56 1 71 LEU 2.78 -0.65 1 72 ILE 5.52 -0.59 1 73 LEU 5.75 -0.36 1 74 ASN 6.03 -0.45 1 75 TYR 4.42 -0.21 1 77 GLN 4.95 -0.21 1 79 LEU 3.96 -0.62 1 80 LEU 3.69 -0.55 1 81 LYS 2.68 -0.32 1 82 LYS 0.48 -0.01 1 84 GLU -0.33 0.20 1 85 TYR 2.82 -0.68 1 86 TYR 6.86 -0.42 1 87 GLU 3.83 -0.27 1 88 VAL 6.81 -0.41 1 89 LEU 5.01 -0.72 1 90 GLU 3.84 -0.28 1 91 HIS 2.28 -0.07 1 92 THR 4.95 -0.45 1 94 ASP 3.94 -0.09 1 95 ILE 4.73 -0.15 1 96 LEU 1.38 -0.32 1 97 ARG 3.57 -0.35 1 98 HIS -1.83 0.00 1 102 ILE 3.22 0.13 1 103 VAL 5.70 -0.30 1 104 LYS 3.38 -0.23 1 105 ALA 4.74 -0.27 1 106 TYR 4.16 -0.54 1 107 TYR 3.44 -0.50 1 108 VAL 5.26 -0.65 1 109 ARG 6.66 -0.79 1 110 ALA 3.51 -0.16 1 111 ARG 4.06 -0.41 1 112 ALA 3.92 -0.57 1 113 HIS 1.50 -0.59 1 114 ALA 3.26 -0.76 1 115 GLU 3.26 -0.63 1 116 VAL 0.48 0.20 1 117 TRP 7.01 -0.70 1 118 ASN -0.14 0.43 1 119 GLU 3.90 -0.61 1 121 GLU 7.04 -0.58 1 122 ALA 4.03 -0.21 1 123 LYS 5.20 -0.56 1 124 ALA 3.78 -0.18 1 126 LEU 4.62 -0.29 1 127 GLN 4.74 -0.34 1 128 LYS 3.89 -0.42 1 129 VAL 7.22 -0.71 1 130 LEU 2.25 -0.43 1 131 GLU 1.80 -0.39 1 132 LEU 0.24 -0.06 1 135 SER 3.83 0.04 1 136 MET 1.64 0.35 1 138 LYS 5.79 -0.29 1 139 ALA 3.63 -0.08 1 140 VAL 6.46 -0.46 1 141 ARG 5.49 -0.31 1 142 ARG 5.31 -0.18 1 143 GLU 2.63 -0.19 1 144 LEU 3.49 -0.28 1 145 ARG 4.31 -0.14 1 146 LEU 3.91 -0.21 1 147 LEU 3.48 -0.29 1 148 GLU 3.23 -0.30 1 149 ASN 3.15 -0.17 1 150 ARG 3.41 -0.07 1 151 MET 2.93 0.06 1 152 ALA 1.57 0.01 1 153 GLU -0.42 0.01 1 154 LYS 0.65 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27614_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 -1.48 _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 -0.07 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 2.96 _LACS_plot.Y_axis_chem_shift_offset -0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 GLU -2.59 -2.75 0 91 HIS 2.28 6.02 0 54 GLU -4.64 -0.88 0 14 MET 1.50 1.33 1 15 LYS 2.28 0.38 1 16 ALA 1.60 3.23 1 19 VAL 4.81 2.31 1 21 HIS 0.35 3.61 1 23 GLU 2.49 2.69 1 25 ASN 4.16 2.64 1 26 ARG 4.18 2.64 1 27 LEU 3.75 1.18 1 28 PHE 4.41 3.75 1 29 LYS 4.08 1.51 1 30 LEU -0.74 -0.48 1 32 ARG 0.57 0.39 1 33 TYR 4.68 2.57 1 35 GLU 2.31 3.18 1 36 ALA 3.81 0.71 1 38 SER 4.17 2.61 1 39 LYS 3.90 2.43 1 40 TYR 3.23 2.44 1 41 GLN 4.18 1.74 1 42 GLU 3.39 2.66 1 43 ALA 3.06 0.74 1 44 ILE 6.10 1.00 1 45 ILE 4.76 2.29 1 47 LEU 2.45 1.91 1 48 ARG 4.37 3.38 1 49 ASN 4.00 3.79 1 50 LEU 3.38 1.87 1 51 GLN 3.03 1.95 1 52 THR 3.58 0.87 1 53 LYS 0.40 -0.17 1 55 LYS -1.76 -1.98 1 58 GLU -1.09 0.79 1 59 VAL 6.10 2.07 1 60 GLN 5.22 2.78 1 62 LEU 2.44 1.38 1 63 LYS 4.86 3.39 1 64 LEU 3.03 0.08 1 65 GLU 2.16 0.99 1 66 LYS 4.10 3.36 1 67 MET 2.75 2.13 1 68 ILE 6.41 0.92 1 69 ASN 4.88 2.55 1 70 THR 5.77 1.61 1 71 LEU 2.78 1.72 1 72 ILE 5.52 3.05 1 73 LEU 5.75 1.40 1 74 ASN 6.03 2.85 1 75 TYR 4.42 2.47 1 77 GLN 4.95 3.44 1 79 LEU 3.96 2.34 1 80 LEU 3.69 3.15 1 81 LYS 2.68 1.54 1 82 LYS 0.48 -2.05 1 83 GLU 4.27 -1.05 1 84 GLU -0.33 0.13 1 85 TYR 2.82 2.44 1 86 TYR 6.86 3.33 1 87 GLU 3.83 1.99 1 88 VAL 6.81 3.42 1 89 LEU 5.01 1.24 1 90 GLU 3.84 2.28 1 92 THR 4.95 2.93 1 94 ASP 3.94 2.60 1 95 ILE 4.73 1.98 1 96 LEU 1.38 0.67 1 97 ARG 3.57 1.01 1 98 HIS -1.83 0.65 1 99 HIS -2.10 -0.06 1 102 ILE 3.22 -0.57 1 103 VAL 5.70 1.40 1 104 LYS 3.38 1.30 1 105 ALA 4.74 0.69 1 106 TYR 4.16 1.64 1 107 TYR 3.44 0.87 1 108 VAL 5.26 0.81 1 109 ARG 6.66 1.63 1 110 ALA 3.51 2.55 1 111 ARG 4.06 1.64 1 112 ALA 3.92 0.60 1 113 HIS 1.50 5.18 1 114 ALA 3.26 2.88 1 115 GLU 3.26 1.34 1 116 VAL 0.48 -1.19 1 117 TRP 7.01 -0.59 1 118 ASN -0.14 0.04 1 119 GLU 3.90 0.92 1 120 ALA 4.00 3.38 1 121 GLU 7.04 2.41 1 122 ALA 4.03 1.67 1 123 LYS 5.20 2.32 1 124 ALA 3.78 3.20 1 125 ASP 4.19 2.59 1 126 LEU 4.62 1.24 1 127 GLN 4.74 2.93 1 128 LYS 3.89 1.91 1 129 VAL 7.22 0.32 1 130 LEU 2.25 1.12 1 131 GLU 1.80 2.20 1 132 LEU 0.24 0.59 1 135 SER 3.83 1.96 1 136 MET 1.64 -0.52 1 137 GLN 5.64 0.90 1 138 LYS 5.79 2.62 1 139 ALA 3.63 2.92 1 140 VAL 6.46 1.27 1 141 ARG 5.49 2.91 1 142 ARG 5.31 2.35 1 143 GLU 2.63 3.46 1 144 LEU 3.49 1.90 1 145 ARG 4.31 2.67 1 146 LEU 3.91 2.35 1 147 LEU 3.48 0.72 1 148 GLU 3.23 2.95 1 149 ASN 3.15 2.31 1 150 ARG 3.41 2.79 1 151 MET 2.93 1.99 1 152 ALA 1.57 0.94 1 153 GLU -0.42 0.04 1 154 LYS 0.65 -0.92 1 155 GLN 0.66 4.75 1 stop_ save_