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 bmr11086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 -4.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.08 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 3.12 _LACS_plot.Y_axis_chem_shift_offset 2.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 MET 0.07 -5.29 0 125 ASN -3.54 -1.43 0 10 VAL 1.31 -1.82 1 11 ASN -1.78 -1.75 1 12 VAL -3.06 -3.44 1 13 TYR -1.99 -2.98 1 15 THR -0.47 -2.83 1 16 SER 0.43 -1.79 1 17 VAL 1.03 -1.92 1 18 THR -0.28 -2.44 1 19 SER 0.48 -1.97 1 20 GLU -0.42 -2.58 1 21 ASN -0.02 -2.35 1 22 LEU -1.62 -2.70 1 23 SER -2.53 -3.20 1 24 ARG 5.58 1.80 1 25 HIS 3.08 2.03 1 26 ASP 3.77 0.63 1 27 MET 2.82 0.11 1 28 LEU 3.44 0.48 1 29 ALA 4.08 0.44 1 30 TRP 6.87 1.48 1 31 VAL 5.71 2.40 1 32 ASN 4.14 0.32 1 33 ASP 3.01 0.27 1 34 SER 3.87 1.32 1 35 LEU -1.88 -4.28 1 36 HIS 3.59 -0.97 1 37 LEU -4.03 -4.26 1 38 ASN -0.58 -3.27 1 39 TYR -0.12 -4.02 1 40 THR -1.01 -2.82 1 41 LYS -3.33 -3.19 1 42 ILE 2.67 -2.46 1 43 GLU 5.83 2.66 1 44 GLN 4.10 0.59 1 45 LEU 2.98 -1.27 1 47 SER -4.20 -4.47 1 49 ALA 3.30 0.76 1 50 ALA 5.50 0.23 1 51 TYR 3.52 1.67 1 53 GLN 6.86 2.26 1 54 PHE 3.66 2.02 1 55 MET 4.69 -0.73 1 56 ASP 1.24 0.95 1 57 MET 3.23 1.05 1 58 LEU -0.34 -0.65 1 59 PHE -2.57 -5.01 1 63 VAL -5.83 -5.42 1 64 HIS -1.30 -3.05 1 65 LEU 3.54 0.51 1 66 ARG 3.27 -0.40 1 67 LYS -0.54 -2.40 1 68 VAL 2.09 -1.35 1 69 LYS -0.05 -3.72 1 70 PHE 5.86 2.67 1 71 GLN 0.95 -3.66 1 72 ALA -1.33 -1.73 1 73 LYS -2.76 -2.29 1 74 LEU -5.20 -4.86 1 75 GLU 4.72 2.23 1 76 HIS 4.20 2.04 1 77 GLU 0.16 -0.70 1 78 TYR 1.21 -3.77 1 79 ILE 5.82 2.91 1 80 HIS 4.46 3.51 1 81 ASN 4.06 -0.01 1 82 PHE 5.82 3.71 1 83 LYS 5.20 1.41 1 84 VAL 6.68 2.07 1 85 LEU 3.68 0.39 1 86 GLN 3.34 1.06 1 87 ALA 3.88 0.30 1 88 ALA 3.21 0.41 1 89 PHE 3.88 -0.68 1 90 LYS 3.97 0.67 1 91 LYS 3.24 0.69 1 94 VAL 1.69 -2.32 1 95 ASP 0.09 -3.72 1 96 LYS -3.92 -3.85 1 97 ILE 0.37 -3.56 1 98 ILE -0.11 -2.02 1 100 VAL 5.74 3.07 1 101 GLU 4.37 0.69 1 102 LYS 1.90 -0.48 1 103 LEU 4.43 0.88 1 104 VAL 3.34 -0.08 1 105 LYS 1.01 -2.78 1 107 LYS -0.89 -3.73 1 108 PHE 6.53 3.97 1 109 GLN 6.56 2.47 1 110 ASP 2.38 0.26 1 111 ASN 3.64 1.65 1 112 PHE 2.04 -1.36 1 113 GLU 3.46 0.76 1 114 PHE 4.94 2.69 1 115 ILE 4.43 -0.54 1 116 GLN 5.06 1.09 1 117 TRP 7.04 2.37 1 118 PHE 3.81 1.66 1 119 LYS 3.29 -0.38 1 120 LYS 3.96 0.51 1 121 PHE 5.10 1.08 1 122 PHE 3.90 1.15 1 123 ASP 4.42 0.46 1 124 ALA 1.10 -1.61 1 126 TYR 1.12 -2.45 1 127 ASP -1.14 -3.62 1 129 LYS 2.18 -1.99 1 130 ASP 0.68 -1.63 1 131 TYR -3.11 -2.20 1 132 ASN -2.13 -4.76 1 134 LEU 3.14 -0.34 1 135 LEU 3.02 -0.39 1 136 ALA 1.42 -0.73 1 137 ARG 0.93 -1.56 1 138 GLN 1.56 -1.29 1 140 GLN -0.35 -2.25 1 141 ASP 0.10 -2.19 1 142 VAL -0.51 -2.86 1 143 ALA -0.28 -2.51 1 147 ASN -0.27 -2.49 1 150 ASP 0.37 -1.98 1 151 GLN 0.11 -2.25 1 152 ILE 0.17 -2.35 1 153 PHE -0.12 -2.38 1 154 SER -0.51 -2.67 1 157 SER -0.17 -2.35 1 158 SER 0.06 -2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.08 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -3.92 _LACS_plot.Y_axis_chem_shift_offset 2.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 MET 0.07 -5.36 0 125 ASN -3.54 2.11 0 10 VAL 1.31 -3.13 1 11 ASN -1.78 0.03 1 12 VAL -3.06 -0.38 1 13 TYR -1.99 -0.99 1 15 THR -0.47 -2.36 1 16 SER 0.43 -2.22 1 17 VAL 1.03 -2.95 1 18 THR -0.28 -2.16 1 19 SER 0.48 -2.45 1 20 GLU -0.42 -2.16 1 21 ASN -0.02 -2.33 1 22 LEU -1.62 -1.08 1 23 SER -2.53 -0.67 1 24 ARG 5.58 -3.78 1 25 HIS 3.08 -1.05 1 26 ASP 3.77 -3.14 1 27 MET 2.82 -2.71 1 28 LEU 3.44 -2.96 1 29 ALA 4.08 -3.64 1 30 TRP 6.87 -5.39 1 31 VAL 5.71 -3.31 1 32 ASN 4.14 -3.82 1 33 ASP 3.01 -2.74 1 34 SER 3.87 -2.55 1 35 LEU -1.88 -2.40 1 36 HIS 3.59 -4.56 1 37 LEU -4.03 -0.23 1 38 ASN -0.58 -2.69 1 39 TYR -0.12 -3.90 1 40 THR -1.01 -1.81 1 41 LYS -3.33 0.14 1 42 ILE 2.67 -5.13 1 43 GLU 5.83 -3.17 1 44 GLN 4.10 -3.51 1 45 LEU 2.98 -4.25 1 47 SER -4.20 -0.27 1 49 ALA 3.30 -2.54 1 50 ALA 5.50 -5.27 1 51 TYR 3.52 -1.85 1 53 GLN 6.86 -4.60 1 54 PHE 3.66 -1.64 1 55 MET 4.69 -5.42 1 56 ASP 1.24 -0.29 1 57 MET 3.23 -2.18 1 58 LEU -0.34 -0.31 1 59 PHE -2.57 -2.44 1 63 VAL -5.83 0.41 1 64 HIS -1.30 -1.75 1 65 LEU 3.54 -3.03 1 66 ARG 3.27 -3.67 1 67 LYS -0.54 -1.86 1 68 VAL 2.09 -3.44 1 69 LYS -0.05 -3.67 1 70 PHE 5.86 -3.19 1 71 GLN 0.95 -4.61 1 72 ALA -1.33 -0.40 1 73 LYS -2.76 0.47 1 74 LEU -5.20 0.34 1 75 GLU 4.72 -2.49 1 76 HIS 4.20 -2.16 1 77 GLU 0.16 -0.86 1 78 TYR 1.21 -4.98 1 79 ILE 5.82 -2.91 1 80 HIS 4.46 -0.95 1 81 ASN 4.06 -4.07 1 82 PHE 5.82 -2.11 1 83 LYS 5.20 -3.79 1 84 VAL 6.68 -4.61 1 85 LEU 3.68 -3.29 1 86 GLN 3.34 -2.28 1 87 ALA 3.88 -3.58 1 88 ALA 3.21 -2.80 1 89 PHE 3.88 -4.56 1 90 LYS 3.97 -3.30 1 91 LYS 3.24 -2.55 1 94 VAL 1.69 -4.01 1 95 ASP 0.09 -3.81 1 96 LYS -3.92 0.07 1 97 ILE 0.37 -3.93 1 98 ILE -0.11 -1.91 1 100 VAL 5.74 -2.67 1 101 GLU 4.37 -3.68 1 102 LYS 1.90 -2.38 1 103 LEU 4.43 -3.55 1 104 VAL 3.34 -3.42 1 105 LYS 1.01 -3.79 1 107 LYS -0.89 -2.84 1 108 PHE 6.53 -2.56 1 109 GLN 6.56 -4.09 1 110 ASP 2.38 -2.12 1 111 ASN 3.64 -1.99 1 112 PHE 2.04 -3.40 1 113 GLU 3.46 -2.70 1 114 PHE 4.94 -2.25 1 115 ILE 4.43 -4.97 1 116 GLN 5.06 -3.97 1 117 TRP 7.04 -4.67 1 118 PHE 3.81 -2.15 1 119 LYS 3.29 -3.67 1 120 LYS 3.96 -3.45 1 121 PHE 5.10 -4.02 1 122 PHE 3.90 -2.75 1 123 ASP 4.42 -3.96 1 124 ALA 1.10 -2.71 1 126 TYR 1.12 -3.57 1 127 ASP -1.14 -2.48 1 129 LYS 2.18 -4.17 1 130 ASP 0.68 -2.31 1 131 TYR -3.11 0.91 1 132 ASN -2.13 -2.63 1 134 LEU 3.14 -3.48 1 135 LEU 3.02 -3.41 1 136 ALA 1.42 -2.15 1 137 ARG 0.93 -2.49 1 138 GLN 1.56 -2.85 1 140 GLN -0.35 -1.90 1 141 ASP 0.10 -2.29 1 142 VAL -0.51 -2.35 1 143 ALA -0.28 -2.23 1 147 ASN -0.27 -2.22 1 150 ASP 0.37 -2.35 1 151 GLN 0.11 -2.36 1 152 ILE 0.17 -2.52 1 153 PHE -0.12 -2.26 1 154 SER -0.51 -2.16 1 157 SER -0.17 -2.18 1 158 SER 0.06 -2.26 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 0.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 PHE 3.81 -1.99 0 10 VAL 1.31 -0.25 1 11 ASN -1.78 0.04 1 12 VAL -3.06 -0.03 1 13 TYR -1.99 0.16 1 15 THR -0.47 0.01 1 16 SER 0.43 -0.08 1 17 VAL 1.03 -0.03 1 18 THR -0.28 -0.05 1 19 SER 0.48 -0.17 1 20 GLU -0.42 -0.21 1 21 ASN -0.02 -0.29 1 22 LEU -1.62 0.18 1 23 SER -2.53 0.10 1 24 ARG 5.58 -0.33 1 25 HIS 3.08 -0.51 1 26 ASP 3.77 -0.20 1 27 MET 2.82 0.03 1 28 LEU 3.44 -0.48 1 29 ALA 4.08 -0.30 1 30 TRP 6.87 -0.29 1 31 VAL 5.71 -1.42 1 32 ASN 4.14 -0.83 1 33 ASP 3.01 -0.38 1 34 SER 3.87 -0.42 1 35 LEU -1.88 -0.16 1 36 HIS 3.59 -0.40 1 37 LEU -4.03 -0.06 1 38 ASN -0.58 -0.20 1 39 TYR -0.12 0.18 1 40 THR -1.01 0.01 1 41 LYS -3.33 0.44 1 42 ILE 2.67 -0.44 1 43 GLU 5.83 -0.98 1 44 GLN 4.10 -0.62 1 45 LEU 2.98 -0.32 1 47 SER -4.20 -0.76 1 49 ALA 3.30 -1.05 1 50 ALA 5.50 -0.71 1 51 TYR 3.52 -0.51 1 53 GLN 6.86 -0.36 1 54 PHE 3.66 -0.25 1 55 MET 4.69 0.30 1 56 ASP 1.24 -0.17 1 57 MET 3.23 -1.32 1 58 LEU -0.34 -0.69 1 59 PHE -2.57 0.26 1 63 VAL -5.83 0.34 1 64 HIS -1.30 0.15 1 65 LEU 3.54 -0.44 1 66 ARG 3.27 -0.09 1 67 LYS -0.54 0.01 1 68 VAL 2.09 -0.58 1 69 LYS -0.05 0.20 1 70 PHE 5.86 -0.81 1 71 GLN 0.95 0.27 1 72 ALA -1.33 -0.41 1 73 LYS -2.76 0.35 1 74 LEU -5.20 0.06 1 75 GLU 4.72 -0.95 1 76 HIS 4.20 -0.48 1 77 GLU 0.16 -0.38 1 78 TYR 1.21 0.32 1 79 ILE 5.82 -0.67 1 80 HIS 4.46 -0.64 1 81 ASN 4.06 -0.54 1 82 PHE 5.82 -0.57 1 83 LYS 5.20 -0.12 1 84 VAL 6.68 -0.59 1 85 LEU 3.68 -0.48 1 86 GLN 3.34 -0.68 1 87 ALA 3.88 -0.12 1 88 ALA 3.21 -0.02 1 89 PHE 3.88 -0.48 1 90 LYS 3.97 -0.18 1 91 LYS 3.24 -0.37 1 92 MET 0.07 0.19 1 94 VAL 1.69 -0.14 1 95 ASP 0.09 -0.19 1 96 LYS -3.92 -0.42 1 97 ILE 0.37 -0.15 1 98 ILE -0.11 -0.70 1 100 VAL 5.74 -1.88 1 101 GLU 4.37 -0.68 1 102 LYS 1.90 -0.25 1 103 LEU 4.43 -0.67 1 104 VAL 3.34 0.00 1 105 LYS 1.01 -0.09 1 107 LYS -0.89 0.35 1 108 PHE 6.53 -0.92 1 109 GLN 6.56 -0.67 1 110 ASP 2.38 -0.36 1 111 ASN 3.64 -0.40 1 112 PHE 2.04 -0.25 1 113 GLU 3.46 -0.53 1 114 PHE 4.94 -0.11 1 115 ILE 4.43 0.33 1 116 GLN 5.06 -0.63 1 117 TRP 7.04 -0.91 1 119 LYS 3.29 -1.04 1 120 LYS 3.96 -0.57 1 121 PHE 5.10 -1.22 1 122 PHE 3.90 -1.33 1 123 ASP 4.42 -0.52 1 124 ALA 1.10 -0.36 1 125 ASN -3.54 -0.29 1 126 TYR 1.12 -0.46 1 127 ASP -1.14 -0.44 1 129 LYS 2.18 -0.24 1 130 ASP 0.68 -0.07 1 131 TYR -3.11 -0.02 1 132 ASN -2.13 -0.04 1 134 LEU 3.14 -0.58 1 135 LEU 3.02 -0.56 1 136 ALA 1.42 -0.36 1 137 ARG 0.93 -0.44 1 138 GLN 1.56 -0.27 1 140 GLN -0.35 -0.09 1 141 ASP 0.10 -0.13 1 142 VAL -0.51 -0.08 1 143 ALA -0.28 -0.13 1 147 ASN -0.27 -0.19 1 150 ASP 0.37 -0.14 1 151 GLN 0.11 -0.17 1 152 ILE 0.17 -0.18 1 153 PHE -0.12 -0.02 1 154 SER -0.51 -0.11 1 158 SER 0.06 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11086_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.83 _LACS_plot.Line_1_terminator_val_y_1 -4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.86 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 0.28 _LACS_plot.Y_axis_chem_shift_offset 2.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 VAL 5.74 -3.17 0 47 SER -4.20 -0.74 0 10 VAL 1.31 -2.52 1 11 ASN -1.78 -2.75 1 12 VAL -3.06 -3.74 1 13 TYR -1.99 -2.09 1 19 SER 0.48 -2.67 1 20 GLU -0.42 -2.82 1 21 ASN -0.02 -2.33 1 22 LEU -1.62 -2.06 1 23 SER -2.53 -1.66 1 24 ARG 5.58 -1.62 1 25 HIS 3.08 1.90 1 26 ASP 3.77 0.64 1 27 MET 2.82 -0.61 1 28 LEU 3.44 -2.13 1 29 ALA 4.08 -1.12 1 30 TRP 6.87 0.74 1 31 VAL 5.71 -1.79 1 32 ASN 4.14 1.67 1 33 ASP 3.01 0.18 1 34 SER 3.87 -1.96 1 35 LEU -1.88 -3.57 1 36 HIS 3.59 -2.08 1 37 LEU -4.03 -4.69 1 38 ASN -0.58 -1.72 1 39 TYR -0.12 -0.07 1 40 THR -1.01 -2.25 1 41 LYS -3.33 -2.54 1 42 ILE 2.67 -1.62 1 43 GLU 5.83 -0.73 1 44 GLN 4.10 -1.19 1 45 LEU 2.98 -2.41 1 49 ALA 3.30 -1.72 1 50 ALA 5.50 -1.10 1 51 TYR 3.52 0.01 1 53 GLN 6.86 0.06 1 54 PHE 3.66 0.99 1 55 MET 4.69 -1.12 1 56 ASP 1.24 -3.09 1 57 MET 3.23 -1.03 1 58 LEU -0.34 -2.42 1 59 PHE -2.57 -5.40 1 63 VAL -5.83 -4.74 1 64 HIS -1.30 -0.39 1 65 LEU 3.54 -1.04 1 66 ARG 3.27 -1.34 1 67 LYS -0.54 -2.12 1 68 VAL 2.09 -3.52 1 69 LYS -0.05 -1.22 1 70 PHE 5.86 -1.18 1 71 GLN 0.95 -3.28 1 72 ALA -1.33 -3.02 1 73 LYS -2.76 -4.57 1 74 LEU -5.20 -2.91 1 75 GLU 4.72 -0.86 1 76 HIS 4.20 1.95 1 77 GLU 0.16 -1.20 1 78 TYR 1.21 1.02 1 79 ILE 5.82 -1.00 1 80 HIS 4.46 1.22 1 81 ASN 4.06 0.84 1 82 PHE 5.82 0.30 1 83 LYS 5.20 1.82 1 84 VAL 6.68 0.97 1 85 LEU 3.68 -1.72 1 86 GLN 3.34 0.50 1 87 ALA 3.88 0.24 1 88 ALA 3.21 -0.71 1 89 PHE 3.88 0.28 1 90 LYS 3.97 1.23 1 91 LYS 3.24 -1.02 1 92 MET 0.07 -2.75 1 94 VAL 1.69 -2.14 1 95 ASP 0.09 -3.91 1 96 LYS -3.92 -4.40 1 97 ILE 0.37 -2.59 1 98 ILE -0.11 -1.51 1 101 GLU 4.37 -0.95 1 102 LYS 1.90 0.53 1 103 LEU 4.43 1.16 1 104 VAL 3.34 -3.20 1 105 LYS 1.01 -0.09 1 107 LYS -0.89 -0.09 1 108 PHE 6.53 -1.01 1 109 GLN 6.56 0.14 1 110 ASP 2.38 0.44 1 111 ASN 3.64 0.11 1 112 PHE 2.04 -1.43 1 113 GLU 3.46 0.90 1 114 PHE 4.94 -0.80 1 115 ILE 4.43 -2.40 1 116 GLN 5.06 0.94 1 117 TRP 7.04 -2.04 1 118 PHE 3.81 -1.49 1 119 LYS 3.29 -2.00 1 120 LYS 3.96 0.65 1 121 PHE 5.10 -1.14 1 122 PHE 3.90 -0.60 1 123 ASP 4.42 -0.17 1 124 ALA 1.10 -2.75 1 125 ASN -3.54 -3.19 1 126 TYR 1.12 -2.88 1 127 ASP -1.14 -1.69 1 129 LYS 2.18 -2.56 1 130 ASP 0.68 -3.20 1 131 TYR -3.11 -4.78 1 132 ASN -2.13 -2.20 1 134 LEU 3.14 -0.79 1 135 LEU 3.02 -0.22 1 136 ALA 1.42 -1.76 1 137 ARG 0.93 -2.48 1 138 GLN 1.56 -1.62 1 140 GLN -0.35 -2.91 1 141 ASP 0.10 -2.77 1 142 VAL -0.51 -3.21 1 143 ALA -0.28 -3.40 1 147 ASN -0.27 -2.08 1 150 ASP 0.37 -2.27 1 151 GLN 0.11 -2.72 1 152 ILE 0.17 -2.83 1 153 PHE -0.12 -2.55 1 154 SER -0.51 -2.76 1 157 SER -0.17 -2.30 1 stop_ save_