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 bmr26016_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.85 _LACS_plot.Line_1_terminator_val_y_1 -2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 5.79 _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 107 PHE 8.40 6.14 0 10 LEU -7.41 -2.32 1 11 LYS -4.47 -1.22 1 12 ALA -3.73 -1.17 1 13 GLU -5.56 -2.10 1 14 VAL -1.15 -1.00 1 15 THR -2.09 -0.90 1 16 ASP 3.21 1.73 1 17 GLU 3.19 0.82 1 18 LYS -3.41 -1.12 1 19 LEU -3.35 -1.54 1 20 HIS -2.12 -0.33 1 21 VAL -4.93 -2.16 1 22 THR -0.95 0.51 1 23 VAL -0.32 -0.78 1 24 ARG 1.29 3.19 1 25 ASP -3.84 -1.71 1 26 ALA -6.10 -1.27 1 27 LYS -6.96 -1.75 1 28 ASN 3.29 0.97 1 29 LEU 0.07 -0.84 1 30 ILE -0.78 0.07 1 32 MET -1.38 -1.47 1 33 ASP -1.19 -0.15 1 35 ASN 1.56 -0.35 1 37 LEU -4.17 -2.14 1 38 SER -5.54 -0.89 1 39 ASP -2.96 -0.21 1 41 TYR -4.62 -1.43 1 42 VAL -1.91 -2.07 1 43 LYS -4.59 -1.26 1 44 LEU -4.66 -1.35 1 45 LYS -5.03 -1.15 1 46 LEU -1.71 -1.97 1 47 ILE -1.09 -0.52 1 49 ASP -3.31 -0.63 1 51 LYS 0.70 -0.51 1 52 ASN 2.78 1.18 1 53 GLU -1.13 0.82 1 54 SER 0.07 1.52 1 55 LYS 0.83 0.70 1 56 GLN -5.12 -0.30 1 57 LYS -5.01 -1.35 1 58 THR -3.77 -0.75 1 59 LYS 1.10 1.07 1 60 THR 0.52 0.39 1 61 ILE -0.01 -2.14 1 62 ARG 0.22 -0.26 1 63 SER 1.73 -0.26 1 64 THR 0.06 -0.96 1 65 LEU -1.08 -1.93 1 66 ASN -2.79 0.02 1 68 GLN -1.46 -0.88 1 69 TRP 4.60 4.58 1 70 ASN 2.69 1.49 1 71 GLU -6.85 -0.20 1 72 SER -3.46 -1.28 1 73 PHE -4.81 -0.27 1 74 THR -1.76 -0.03 1 75 PHE -2.78 -1.50 1 76 LYS 2.02 0.77 1 77 LEU -1.78 -0.98 1 80 SER 2.58 1.17 1 81 ASP 2.52 2.88 1 82 LYS 4.57 3.21 1 83 ASP -0.13 0.20 1 84 ARG -1.17 1.16 1 85 ARG -2.88 -0.93 1 86 LEU -1.29 -1.11 1 87 SER -2.01 -1.77 1 88 VAL -0.98 -0.86 1 89 GLU -7.85 -2.87 1 90 ILE 0.71 -0.50 1 91 TRP -5.51 -1.96 1 92 ASP -3.50 -2.04 1 98 ARG 0.69 0.54 1 99 ASN 3.19 2.54 1 101 PHE 1.98 1.58 1 102 MET -5.02 -0.82 1 104 SER 1.45 1.98 1 105 LEU -3.02 -0.75 1 106 SER -6.49 -2.15 1 109 VAL 3.28 2.65 1 111 GLU 0.67 1.07 1 112 LEU 3.55 3.63 1 113 MET 1.02 1.46 1 114 LYS -2.33 -0.29 1 115 MET -3.24 -1.31 1 117 ALA -0.67 -0.39 1 118 SER -3.11 -1.04 1 120 TRP -4.39 0.04 1 121 TYR -0.34 0.85 1 122 LYS 0.86 0.82 1 123 LEU -1.89 -1.31 1 124 LEU 0.47 -0.27 1 125 ASN 5.78 3.89 1 126 GLN 3.48 2.47 1 127 GLU 1.11 2.16 1 128 GLU 2.20 1.33 1 130 GLU -2.15 0.39 1 131 TYR -3.80 -1.22 1 132 TYR -4.19 -0.20 1 133 ASN -2.11 -0.08 1 134 VAL -1.04 -0.61 1 136 ILE -0.89 0.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26016_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.85 _LACS_plot.Line_1_terminator_val_y_1 5.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -2.61 _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 107 PHE 8.40 -2.26 0 10 LEU -7.41 5.09 1 11 LYS -4.47 3.25 1 12 ALA -3.73 2.56 1 13 GLU -5.56 3.46 1 14 VAL -1.15 0.15 1 15 THR -2.09 1.19 1 16 ASP 3.21 -1.48 1 17 GLU 3.19 -2.37 1 18 LYS -3.41 2.29 1 19 LEU -3.35 1.81 1 20 HIS -2.12 1.79 1 21 VAL -4.93 2.77 1 22 THR -0.95 1.46 1 23 VAL -0.32 -0.46 1 24 ARG 1.29 1.90 1 25 ASP -3.84 2.13 1 26 ALA -6.10 4.83 1 27 LYS -6.96 5.21 1 28 ASN 3.29 -2.32 1 29 LEU 0.07 -0.91 1 30 ILE -0.78 0.85 1 32 MET -1.38 -0.09 1 33 ASP -1.19 1.04 1 35 ASN 1.56 -1.91 1 37 LEU -4.17 2.03 1 38 SER -5.54 4.65 1 39 ASP -2.96 2.75 1 41 TYR -4.62 3.19 1 42 VAL -1.91 -0.16 1 43 LYS -4.59 3.33 1 44 LEU -4.66 3.31 1 45 LYS -5.03 3.88 1 46 LEU -1.71 -0.26 1 47 ILE -1.09 0.57 1 49 ASP -3.31 2.68 1 51 LYS 0.70 -1.21 1 52 ASN 2.78 -1.60 1 53 GLU -1.13 1.95 1 54 SER 0.07 1.45 1 55 LYS 0.83 -0.13 1 56 GLN -5.12 4.82 1 57 LYS -5.01 3.66 1 58 THR -3.77 3.02 1 59 LYS 1.10 -0.03 1 60 THR 0.52 -0.13 1 61 ILE -0.01 -2.13 1 62 ARG 0.22 -0.48 1 63 SER 1.73 -1.99 1 64 THR 0.06 -1.02 1 65 LEU -1.08 -0.85 1 66 ASN -2.79 2.81 1 68 GLN -1.46 0.58 1 69 TRP 4.60 -0.02 1 70 ASN 2.69 -1.20 1 71 GLU -6.85 6.65 1 72 SER -3.46 2.18 1 73 PHE -4.81 4.54 1 74 THR -1.76 1.73 1 75 PHE -2.78 1.28 1 76 LYS 2.02 -1.25 1 77 LEU -1.78 0.80 1 80 SER 2.58 -1.41 1 81 ASP 2.52 0.36 1 82 LYS 4.57 -1.36 1 83 ASP -0.13 0.33 1 84 ARG -1.17 2.33 1 85 ARG -2.88 1.95 1 86 LEU -1.29 0.18 1 87 SER -2.01 0.24 1 88 VAL -0.98 0.12 1 89 GLU -7.85 4.98 1 90 ILE 0.71 -1.21 1 91 TRP -5.51 3.55 1 92 ASP -3.50 1.46 1 98 ARG 0.69 -0.15 1 99 ASN 3.19 -0.65 1 101 PHE 1.98 -0.40 1 102 MET -5.02 4.20 1 104 SER 1.45 0.53 1 105 LEU -3.02 2.27 1 106 SER -6.49 4.34 1 109 VAL 3.28 -0.63 1 111 GLU 0.67 0.40 1 112 LEU 3.55 0.08 1 113 MET 1.02 0.44 1 114 LYS -2.33 2.04 1 115 MET -3.24 1.93 1 117 ALA -0.67 0.28 1 118 SER -3.11 2.07 1 120 TRP -4.39 4.43 1 121 TYR -0.34 1.19 1 122 LYS 0.86 -0.04 1 123 LEU -1.89 0.58 1 124 LEU 0.47 -0.74 1 125 ASN 5.78 -1.89 1 126 GLN 3.48 -1.01 1 127 GLU 1.11 1.05 1 128 GLU 2.20 -0.87 1 130 GLU -2.15 2.54 1 131 TYR -3.80 2.58 1 132 TYR -4.19 3.99 1 133 ASN -2.11 2.03 1 134 VAL -1.04 0.43 1 136 ILE -0.89 0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26016_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.85 _LACS_plot.Line_1_terminator_val_y_1 0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 TRP -5.51 -0.18 0 106 SER -6.49 -0.02 0 107 PHE 8.40 -0.73 0 10 LEU -7.41 0.91 1 11 LYS -4.47 0.64 1 12 ALA -3.73 1.14 1 13 GLU -5.56 0.42 1 14 VAL -1.15 0.91 1 15 THR -2.09 0.18 1 16 ASP 3.21 -0.39 1 17 GLU 3.19 -0.61 1 18 LYS -3.41 0.60 1 19 LEU -3.35 0.58 1 20 HIS -2.12 0.80 1 21 VAL -4.93 1.10 1 22 THR -0.95 0.69 1 23 VAL -0.32 0.14 1 24 ARG 1.29 0.21 1 25 ASP -3.84 0.62 1 26 ALA -6.10 1.42 1 27 LYS -6.96 1.08 1 28 ASN 3.29 -0.48 1 29 LEU 0.07 -0.21 1 30 ILE -0.78 0.00 1 32 MET -1.38 0.31 1 33 ASP -1.19 -0.01 1 35 ASN 1.56 -0.20 1 37 LEU -4.17 0.37 1 38 SER -5.54 0.32 1 41 TYR -4.62 0.38 1 42 VAL -1.91 0.71 1 43 LYS -4.59 0.60 1 44 LEU -4.66 1.24 1 45 LYS -5.03 0.29 1 46 LEU -1.71 0.85 1 47 ILE -1.09 0.06 1 49 ASP -3.31 -0.14 1 51 LYS 0.70 0.05 1 52 ASN 2.78 -0.50 1 53 GLU -1.13 0.04 1 54 SER 0.07 0.11 1 55 LYS 0.83 0.60 1 56 GLN -5.12 0.32 1 57 LYS -5.01 1.33 1 58 THR -3.77 0.73 1 59 LYS 1.10 0.05 1 60 THR 0.52 0.46 1 61 ILE -0.01 0.11 1 62 ARG 0.22 0.45 1 63 SER 1.73 -0.51 1 64 THR 0.06 0.36 1 65 LEU -1.08 0.15 1 66 ASN -2.79 0.43 1 68 GLN -1.46 0.04 1 69 TRP 4.60 0.09 1 70 ASN 2.69 -0.17 1 71 GLU -6.85 0.43 1 72 SER -3.46 1.19 1 73 PHE -4.81 0.07 1 74 THR -1.76 1.03 1 75 PHE -2.78 0.06 1 76 LYS 2.02 0.06 1 77 LEU -1.78 0.45 1 80 SER 2.58 -0.18 1 81 ASP 2.52 -0.11 1 82 LYS 4.57 -0.47 1 83 ASP -0.13 0.35 1 84 ARG -1.17 0.45 1 85 ARG -2.88 0.70 1 86 LEU -1.29 0.19 1 87 SER -2.01 0.10 1 88 VAL -0.98 0.31 1 89 GLU -7.85 0.43 1 90 ILE 0.71 0.69 1 92 ASP -3.50 0.21 1 98 ARG 0.69 -0.05 1 99 ASN 3.19 -0.14 1 101 PHE 1.98 -0.27 1 102 MET -5.02 1.02 1 104 SER 1.45 0.46 1 105 LEU -3.02 0.82 1 109 VAL 3.28 -0.20 1 111 GLU 0.67 0.07 1 112 LEU 3.55 -0.58 1 113 MET 1.02 -0.03 1 114 LYS -2.33 0.21 1 115 MET -3.24 0.22 1 117 ALA -0.67 0.66 1 118 SER -3.11 0.52 1 120 TRP -4.39 0.40 1 121 TYR -0.34 -0.03 1 122 LYS 0.86 -0.04 1 123 LEU -1.89 0.44 1 124 LEU 0.47 -0.20 1 125 ASN 5.78 -0.99 1 126 GLN 3.48 -0.29 1 127 GLU 1.11 -0.13 1 128 GLU 2.20 -0.52 1 130 GLU -2.15 -0.23 1 131 TYR -3.80 0.37 1 132 TYR -4.19 -0.02 1 133 ASN -2.11 0.24 1 134 VAL -1.04 0.06 1 136 ILE -0.89 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26016_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.85 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 1.73 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 106 SER -6.49 0.60 0 64 THR 0.06 -4.55 0 107 PHE 8.40 1.60 0 10 LEU -7.41 -3.24 1 11 LYS -4.47 -1.33 1 12 ALA -3.73 -3.66 1 13 GLU -5.56 -2.97 1 14 VAL -1.15 -0.31 1 15 THR -2.09 -0.38 1 17 GLU 3.19 -2.30 1 18 LYS -3.41 -2.87 1 19 LEU -3.35 -3.02 1 20 HIS -2.12 0.36 1 21 VAL -4.93 -1.39 1 22 THR -0.95 -1.32 1 23 VAL -0.32 -2.12 1 24 ARG 1.29 -2.47 1 25 ASP -3.84 -4.63 1 26 ALA -6.10 -2.28 1 27 LYS -6.96 -1.51 1 28 ASN 3.29 -1.62 1 29 LEU 0.07 -1.82 1 32 MET -1.38 -0.33 1 35 ASN 1.56 0.75 1 37 LEU -4.17 -4.49 1 38 SER -5.54 -3.82 1 41 TYR -4.62 -4.59 1 42 VAL -1.91 -1.33 1 43 LYS -4.59 -1.70 1 44 LEU -4.66 -2.54 1 45 LYS -5.03 -2.49 1 46 LEU -1.71 -1.81 1 51 LYS 0.70 -0.71 1 52 ASN 2.78 -0.14 1 53 GLU -1.13 1.95 1 54 SER 0.07 0.40 1 55 LYS 0.83 -0.40 1 56 GLN -5.12 -2.35 1 57 LYS -5.01 -0.09 1 58 THR -3.77 1.17 1 59 LYS 1.10 0.93 1 60 THR 0.52 -0.23 1 61 ILE -0.01 -2.12 1 62 ARG 0.22 1.30 1 63 SER 1.73 -0.72 1 65 LEU -1.08 -2.24 1 68 GLN -1.46 -1.85 1 69 TRP 4.60 0.39 1 70 ASN 2.69 -0.88 1 71 GLU -6.85 -2.20 1 72 SER -3.46 -2.09 1 73 PHE -4.81 -0.38 1 74 THR -1.76 -1.01 1 75 PHE -2.78 -0.89 1 76 LYS 2.02 -0.77 1 77 LEU -1.78 -0.46 1 80 SER 2.58 1.67 1 81 ASP 2.52 0.71 1 82 LYS 4.57 -0.69 1 83 ASP -0.13 0.12 1 84 ARG -1.17 -1.17 1 85 ARG -2.88 -1.26 1 86 LEU -1.29 -3.33 1 87 SER -2.01 -1.77 1 88 VAL -0.98 -2.32 1 89 GLU -7.85 -2.13 1 90 ILE 0.71 -2.43 1 91 TRP -5.51 -4.18 1 92 ASP -3.50 -0.40 1 98 ARG 0.69 0.57 1 99 ASN 3.19 -1.18 1 101 PHE 1.98 0.58 1 102 MET -5.02 -2.01 1 104 SER 1.45 -2.59 1 105 LEU -3.02 -2.63 1 109 VAL 3.28 2.09 1 111 GLU 0.67 0.93 1 112 LEU 3.55 1.16 1 113 MET 1.02 0.06 1 114 LYS -3.24 0.17 1 117 ALA -0.67 -1.12 1 118 SER -3.11 1.48 1 120 TRP -4.39 -0.39 1 121 TYR -0.34 -0.29 1 122 LYS 0.86 -1.43 1 123 LEU -1.89 -0.69 1 124 LEU 0.47 -1.04 1 125 ASN 5.78 2.11 1 126 GLN 3.48 1.58 1 127 GLU 1.11 2.45 1 128 GLU 2.20 -0.55 1 130 GLU -2.15 -1.31 1 131 TYR -3.80 -3.01 1 132 TYR -4.19 -1.85 1 133 ASN -0.89 -0.79 1 stop_ save_