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 bmr7142_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 -1.72 _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 -1.40 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 6.68 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 MET 1.57 4.75 0 69 GLN -6.31 -1.28 0 10 LYS -0.12 0.14 1 12 SER -0.25 -0.01 1 13 LYS -0.06 0.17 1 15 LYS 0.47 0.39 1 16 THR -0.38 -0.08 1 17 SER -0.35 -0.11 1 18 MET -0.08 0.10 1 19 LYS 0.09 0.23 1 20 HIS -0.35 0.63 1 21 VAL -0.32 -0.15 1 22 ALA -0.28 0.21 1 24 ALA -0.20 0.11 1 25 ALA -0.17 0.20 1 26 ALA -0.22 0.20 1 27 ALA -0.16 0.26 1 29 ALA -0.71 -0.03 1 30 VAL 0.07 0.09 1 31 VAL 0.43 0.43 1 34 LEU -0.15 0.11 1 37 TYR -0.86 0.79 1 38 MET -3.12 -1.38 1 39 LEU -2.82 -1.35 1 41 SER 0.05 0.42 1 42 ALA 1.09 0.70 1 43 MET -5.30 -1.20 1 44 SER 1.08 0.55 1 45 ARG 2.23 1.28 1 47 LEU 1.53 -0.51 1 48 ILE -2.48 -1.40 1 49 HIS -1.40 -0.65 1 50 PHE 1.39 2.38 1 52 ASN -3.09 -0.34 1 53 ASP 3.55 3.81 1 54 TYR 4.79 3.93 1 55 GLU 3.42 3.54 1 56 ASP 4.54 4.73 1 57 ARG 4.49 3.73 1 58 TYR 4.41 4.45 1 59 TYR 4.23 3.89 1 60 ARG 5.02 4.08 1 61 GLU 1.03 1.28 1 62 ASN -0.72 1.66 1 63 MET 4.86 4.65 1 64 TYR 3.61 1.55 1 65 ARG 0.74 0.77 1 66 TYR 0.45 -1.75 1 68 ASN -0.70 -0.95 1 70 VAL -4.43 -3.26 1 71 TYR -4.05 -0.48 1 72 TYR -3.07 -1.52 1 73 ARG -1.06 0.12 1 75 VAL 0.69 0.54 1 76 ASP 1.75 0.68 1 77 GLN 2.10 0.32 1 78 TYR -4.21 -0.60 1 79 SER 0.43 0.88 1 80 ASN -2.35 -0.71 1 81 GLN 3.13 3.56 1 82 ASN 4.84 3.70 1 83 SER 4.10 3.53 1 84 PHE 3.41 3.22 1 85 VAL 6.15 5.58 1 86 HIS 4.89 4.62 1 87 ASP 2.68 3.20 1 89 VAL 4.85 4.22 1 90 ASN 3.53 3.81 1 91 ILE 3.25 1.21 1 92 THR 8.05 7.14 1 93 VAL 6.86 5.77 1 94 LYS -0.34 -0.88 1 95 GLN 2.98 2.18 1 96 HIS 1.79 4.81 1 97 THR 3.88 3.35 1 98 VAL 3.92 3.22 1 99 THR 3.42 2.75 1 100 THR 3.40 2.64 1 101 THR 3.67 3.05 1 102 THR 3.15 2.49 1 103 LYS 0.66 0.43 1 105 GLU -2.19 -0.76 1 106 ASN -2.24 -0.13 1 107 PHE -2.02 -0.82 1 108 THR -3.58 -1.10 1 109 GLU 4.23 3.65 1 110 THR 6.11 5.16 1 111 ASP 3.22 4.39 1 112 ILE 5.35 3.67 1 113 LYS 3.93 3.41 1 114 ILE 4.98 3.92 1 115 MET 3.81 5.00 1 116 GLU 5.09 4.25 1 117 ARG 3.15 2.87 1 118 VAL 4.49 4.32 1 119 VAL 5.51 4.16 1 120 GLU 4.88 4.56 1 121 GLN 4.46 3.17 1 124 ILE 5.99 5.95 1 125 THR 6.72 5.49 1 126 GLN 4.14 3.34 1 127 TYR 5.88 4.49 1 128 GLN 5.05 3.58 1 129 GLN 3.93 3.44 1 130 GLU 1.07 1.76 1 131 SER 4.88 3.47 1 132 GLN 4.04 3.02 1 133 ALA 3.29 2.59 1 134 ALA 3.40 2.70 1 135 TYR 3.38 2.81 1 136 GLN 3.78 2.79 1 137 ARG 3.25 2.93 1 138 ALA 2.47 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7142_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 MET 1.57 3.18 0 69 GLN -6.31 5.03 0 10 LYS -0.12 0.26 1 12 SER -0.25 0.24 1 13 LYS -0.06 0.23 1 15 LYS 0.47 -0.08 1 16 THR -0.38 0.30 1 17 SER -0.35 0.24 1 18 MET -0.08 0.18 1 19 LYS 0.09 0.14 1 20 HIS -0.35 0.98 1 21 VAL -0.32 0.17 1 22 ALA -0.28 0.49 1 24 ALA -0.20 0.31 1 25 ALA -0.17 0.37 1 26 ALA -0.22 0.42 1 27 ALA -0.16 0.42 1 29 ALA -0.71 0.68 1 30 VAL 0.07 0.02 1 31 VAL 0.43 0.00 1 34 LEU -0.15 0.26 1 37 TYR -0.86 1.65 1 38 MET -3.12 1.74 1 39 LEU -2.82 1.47 1 41 SER 0.05 0.37 1 42 ALA 1.09 -0.39 1 43 MET -5.30 4.10 1 44 SER 1.08 -0.53 1 45 ARG 2.23 -0.95 1 47 LEU 1.53 -2.04 1 48 ILE -2.48 1.08 1 49 HIS -1.40 0.75 1 50 PHE 1.39 0.99 1 52 ASN -3.09 2.75 1 53 ASP 3.55 0.26 1 54 TYR 4.79 -0.86 1 55 GLU 3.42 0.12 1 56 ASP 4.54 0.19 1 57 ARG 4.49 -0.76 1 58 TYR 4.41 0.04 1 59 TYR 4.23 -0.34 1 60 ARG 5.02 -0.94 1 61 GLU 1.03 0.25 1 62 ASN -0.72 2.38 1 63 MET 4.86 -0.21 1 64 TYR 3.61 -2.06 1 65 ARG 0.74 0.03 1 66 TYR 0.45 -2.20 1 68 ASN -0.70 -0.25 1 70 VAL -4.43 1.17 1 71 TYR -4.05 3.57 1 72 TYR -3.07 1.55 1 73 ARG -1.06 1.18 1 75 VAL 0.69 -0.15 1 76 ASP 1.75 -1.07 1 77 GLN 2.10 -1.78 1 78 TYR -4.21 3.61 1 79 SER 0.43 0.45 1 80 ASN -2.35 1.64 1 81 GLN 3.13 0.43 1 82 ASN 4.84 -1.14 1 83 SER 4.10 -0.57 1 84 PHE 3.41 -0.19 1 85 VAL 6.15 -0.57 1 86 HIS 4.89 -0.27 1 87 ASP 2.68 0.52 1 89 VAL 4.85 -0.63 1 90 ASN 3.53 0.28 1 91 ILE 3.25 -2.04 1 92 THR 8.05 -0.91 1 93 VAL 6.86 -1.09 1 94 LYS -0.34 -0.54 1 95 GLN 2.98 -0.80 1 96 HIS 1.79 3.02 1 97 THR 3.88 -0.53 1 98 VAL 3.92 -0.70 1 99 THR 3.42 -0.67 1 100 THR 3.40 -0.76 1 101 THR 3.67 -0.62 1 102 THR 3.15 -0.66 1 103 LYS 0.66 -0.23 1 105 GLU -2.19 1.43 1 106 ASN -2.24 2.11 1 107 PHE -2.02 1.20 1 108 THR -3.58 2.48 1 109 GLU 4.23 -0.58 1 110 THR 6.11 -0.95 1 111 ASP 3.22 1.17 1 112 ILE 5.35 -1.68 1 113 LYS 3.93 -0.52 1 114 ILE 4.98 -1.06 1 115 MET 3.81 1.19 1 116 GLU 5.09 -0.84 1 117 ARG 3.15 -0.28 1 118 VAL 4.49 -0.17 1 119 VAL 5.51 -1.35 1 120 GLU 4.88 -0.32 1 121 GLN 4.46 -1.29 1 124 ILE 5.99 -0.04 1 125 THR 6.72 -1.23 1 126 GLN 4.14 -0.80 1 127 TYR 5.88 -1.39 1 128 GLN 5.05 -1.47 1 129 GLN 3.93 -0.49 1 130 GLU 1.07 0.69 1 131 SER 4.88 -1.41 1 132 GLN 4.04 -1.02 1 133 ALA 3.29 -0.70 1 134 ALA 3.40 -0.70 1 135 TYR 3.38 -0.57 1 136 GLN 3.78 -0.99 1 137 ARG 3.25 -0.32 1 138 ALA 2.47 -0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7142_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 0.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 127 TYR 5.88 -1.61 0 10 LYS -0.12 0.00 1 12 SER -0.25 -0.04 1 13 LYS -0.06 0.01 1 15 LYS 0.47 0.02 1 16 THR -0.38 0.03 1 17 SER -0.35 0.01 1 18 MET -0.08 0.00 1 19 LYS 0.09 -0.05 1 20 HIS -0.35 -0.05 1 21 VAL -0.32 -0.03 1 22 ALA -0.28 -0.01 1 24 ALA -0.20 -0.03 1 25 ALA -0.17 -0.04 1 26 ALA -0.22 -0.04 1 27 ALA -0.16 -0.03 1 29 ALA -0.71 0.03 1 30 VAL 0.07 0.01 1 31 VAL 0.43 -0.04 1 34 LEU -0.15 0.00 1 37 TYR -0.86 -0.13 1 38 MET -3.12 0.03 1 39 LEU -2.82 0.19 1 41 SER 0.05 -0.06 1 42 ALA 1.09 0.07 1 43 MET -5.30 0.26 1 44 SER 1.08 -0.12 1 45 ARG 2.23 -0.26 1 47 LEU 1.53 0.22 1 48 ILE -2.48 -0.23 1 49 HIS -1.40 0.21 1 50 PHE 1.39 -0.39 1 52 ASN -3.09 0.12 1 53 ASP 3.55 -0.21 1 54 TYR 4.79 -0.33 1 55 GLU 3.42 -0.81 1 56 ASP 4.54 0.04 1 57 ARG 4.49 -0.33 1 58 TYR 4.41 -0.70 1 59 TYR 4.23 -0.30 1 60 ARG 5.02 -0.66 1 61 GLU 1.03 -0.27 1 62 ASN -0.72 -0.14 1 63 MET 4.86 -0.79 1 64 TYR 3.61 -0.31 1 65 ARG 0.74 -0.30 1 66 TYR 0.45 0.15 1 68 ASN -0.70 -0.02 1 69 GLN -6.31 0.24 1 70 VAL -4.43 0.81 1 71 TYR -4.05 1.04 1 72 TYR -3.07 0.32 1 73 ARG -1.06 -0.02 1 75 VAL 0.69 0.20 1 76 ASP 1.75 -0.04 1 77 GLN 2.10 -0.23 1 78 TYR -4.21 0.37 1 79 SER 0.43 0.08 1 80 ASN -2.35 0.02 1 81 GLN 3.13 -0.59 1 82 ASN 4.84 -0.51 1 83 SER 4.10 -0.17 1 84 PHE 3.41 -0.44 1 85 VAL 6.15 -0.72 1 86 HIS 4.89 -0.43 1 87 ASP 2.68 -0.06 1 89 VAL 4.85 -0.44 1 90 ASN 3.53 -0.43 1 91 ILE 3.25 -0.40 1 92 THR 8.05 -0.26 1 93 VAL 6.86 -0.51 1 94 LYS -0.34 -0.25 1 95 GLN 2.98 -0.32 1 96 HIS 1.79 -0.15 1 97 THR 3.88 -0.17 1 98 VAL 3.92 -0.08 1 99 THR 3.42 -0.15 1 100 THR 3.40 -0.20 1 101 THR 3.67 0.04 1 102 THR 3.15 -0.13 1 103 LYS 0.66 0.05 1 105 GLU -2.19 -0.06 1 106 ASN -2.24 -0.03 1 107 PHE -2.02 0.65 1 108 THR -3.58 0.29 1 109 GLU 4.23 -0.30 1 110 THR 6.11 -0.55 1 111 ASP 3.22 -0.11 1 112 ILE 5.35 -0.74 1 113 LYS 3.93 -0.26 1 114 ILE 4.98 -0.54 1 115 MET 3.81 -1.03 1 116 GLU 5.09 -0.72 1 117 ARG 3.15 -0.20 1 118 VAL 4.49 -0.60 1 119 VAL 5.51 -0.46 1 120 GLU 4.88 -0.79 1 121 GLN 4.46 -0.38 1 122 MET 1.57 -0.37 1 124 ILE 5.99 -0.70 1 125 THR 6.72 -0.46 1 126 GLN 4.14 -0.66 1 128 GLN 5.05 -0.59 1 129 GLN 3.93 -0.34 1 130 GLU 1.07 -0.26 1 131 SER 4.88 -0.50 1 132 GLN 4.04 -0.17 1 133 ALA 3.29 -0.13 1 134 ALA 3.40 -0.25 1 135 TYR 3.38 -0.22 1 136 GLN 3.78 -0.42 1 137 ARG 3.25 -0.22 1 138 ALA 2.47 0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7142_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 3.04 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 MET -5.30 -0.43 0 38 MET -3.12 -3.19 0 69 GLN -6.31 -0.89 0 10 LYS -0.12 -0.16 1 12 SER -0.25 -0.45 1 13 LYS -0.06 -0.30 1 15 LYS 0.47 0.35 1 16 THR -0.38 -0.34 1 17 SER -0.35 -0.22 1 18 MET -0.08 -0.32 1 19 LYS 0.09 -0.46 1 20 HIS -0.35 0.65 1 21 VAL -0.32 -0.77 1 22 ALA -0.28 0.26 1 24 ALA -0.20 -0.11 1 25 ALA -0.17 -0.17 1 26 ALA -0.22 -0.23 1 27 ALA -0.16 0.46 1 29 ALA -0.71 -0.20 1 30 VAL 0.07 0.07 1 31 VAL 0.43 0.32 1 34 LEU -0.15 0.45 1 37 TYR -0.86 -0.23 1 39 LEU -2.82 0.56 1 41 SER 0.05 -0.07 1 42 ALA 1.09 -0.19 1 44 SER 1.08 -0.15 1 45 ARG 2.23 0.51 1 47 LEU 1.53 -1.57 1 48 ILE -2.48 -2.58 1 49 HIS -1.40 0.60 1 50 PHE 1.39 1.21 1 52 ASN -3.09 -0.93 1 53 ASP 3.55 1.40 1 54 TYR 4.79 2.16 1 55 GLU 3.42 1.33 1 56 ASP 4.54 2.77 1 57 ARG 4.49 1.38 1 58 TYR 4.41 3.79 1 59 TYR 4.23 0.60 1 60 ARG 5.02 2.79 1 61 GLU 1.03 0.92 1 62 ASN -0.72 0.19 1 63 MET 4.86 0.09 1 64 TYR 3.61 0.32 1 65 ARG 0.74 0.30 1 66 TYR 0.45 -1.83 1 68 ASN -0.70 -2.28 1 70 VAL -4.43 -2.24 1 71 TYR -4.05 -1.18 1 72 TYR -3.07 -2.15 1 73 ARG -1.06 -1.99 1 75 VAL 0.69 0.51 1 76 ASP 1.75 0.82 1 77 GLN 2.10 -1.21 1 78 TYR -4.21 0.29 1 79 SER 0.43 -0.36 1 80 ASN -2.35 -1.53 1 81 GLN 3.13 1.05 1 82 ASN 4.84 2.89 1 83 SER 4.10 1.72 1 84 PHE 3.41 1.49 1 85 VAL 6.15 0.46 1 86 HIS 4.89 2.92 1 87 ASP 2.68 -0.43 1 89 VAL 4.85 0.82 1 90 ASN 3.53 3.18 1 92 THR 8.05 2.89 1 93 VAL 6.86 2.51 1 94 LYS -0.34 2.36 1 95 GLN 2.98 2.29 1 96 HIS 1.79 3.32 1 97 THR 3.88 1.38 1 98 VAL 3.92 1.67 1 99 THR 3.42 1.42 1 100 THR 3.40 1.59 1 101 THR 3.67 2.50 1 102 THR 3.15 0.44 1 103 LYS 0.66 0.21 1 105 GLU -2.19 -1.46 1 106 ASN -2.24 -1.07 1 107 PHE -2.02 0.82 1 108 THR -3.58 0.70 1 109 GLU 4.23 2.45 1 110 THR 6.11 0.58 1 112 ILE 5.35 0.96 1 113 LYS 3.93 3.56 1 114 ILE 4.98 1.32 1 115 MET 3.81 1.51 1 116 GLU 5.09 1.72 1 117 ARG 3.15 2.92 1 118 VAL 4.49 1.48 1 119 VAL 5.51 1.16 1 120 GLU 4.88 0.97 1 121 GLN 4.46 2.88 1 122 MET 1.57 2.08 1 124 ILE 5.99 1.34 1 125 THR 6.72 1.80 1 126 GLN 4.14 1.68 1 127 TYR 5.88 2.57 1 129 GLN 3.93 3.61 1 130 GLU 1.07 3.09 1 131 SER 4.88 2.03 1 132 GLN 4.04 2.06 1 133 ALA 3.29 2.28 1 134 ALA 3.40 2.46 1 135 TYR 3.38 1.73 1 136 GLN 3.78 2.66 1 137 ARG 3.25 2.14 1 138 ALA 2.47 1.77 1 stop_ save_