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 bmr6231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -3.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.97 _LACS_plot.Line_2_terminator_val_x_2 6.63 _LACS_plot.Line_2_terminator_val_y_2 3.54 _LACS_plot.Y_axis_chem_shift_offset 1.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ASN -6.25 -0.30 0 23 TRP 4.73 5.14 0 11 SER -0.13 -2.11 1 12 HIS -2.92 -0.26 1 14 TYR -5.43 -2.77 1 15 ALA -6.35 -2.80 1 16 LEU -2.43 -2.69 1 17 PHE -0.06 -1.21 1 18 LEU 0.29 -1.43 1 19 SER -1.04 -2.72 1 21 LYS -7.49 -1.85 1 22 SER -0.41 -1.52 1 24 THR 5.28 3.12 1 25 ASP 4.07 1.32 1 26 ALA 3.34 0.88 1 27 ASP 4.74 3.06 1 28 LEU 3.69 1.39 1 29 ALA 4.21 1.17 1 31 GLN 2.11 0.40 1 32 LYS 2.49 -0.01 1 33 ARG -0.14 -2.07 1 35 SER 2.01 -0.36 1 38 LEU 0.49 0.61 1 39 VAL -0.02 -0.87 1 40 SER -4.35 -4.59 1 41 VAL 1.48 -0.55 1 42 LEU 0.97 -2.01 1 43 SER -4.00 -2.98 1 45 ALA 3.48 1.31 1 46 GLU 2.58 1.15 1 48 SER 0.43 -2.25 1 49 PHE 5.75 2.57 1 50 VAL 6.64 3.41 1 51 SER 3.84 1.87 1 52 SER 4.06 1.88 1 53 LEU 1.10 0.58 1 54 VAL 1.72 -0.77 1 55 LYS 3.74 1.37 1 56 SER 1.23 -0.36 1 57 ILE 1.55 -0.06 1 59 ASN 1.70 0.38 1 60 SER 2.11 0.42 1 61 TYR -1.64 -1.41 1 62 SER -0.22 -0.07 1 63 TYR -5.51 -2.29 1 64 VAL -6.32 -3.68 1 65 TRP -1.72 0.34 1 66 ILE -3.20 -2.58 1 68 LEU -2.04 -2.59 1 69 HIS -3.12 -2.39 1 70 ASP -1.02 -4.73 1 72 THR 0.93 -0.85 1 73 GLN 2.30 -1.25 1 75 THR 1.54 -0.17 1 76 GLU 0.52 -1.49 1 78 ASN 1.32 -0.49 1 80 GLU 1.42 -0.89 1 82 TRP 1.47 -0.34 1 83 GLU -4.01 -3.70 1 84 TRP -2.59 -2.76 1 85 SER 3.37 1.29 1 86 SER 1.82 1.00 1 87 SER 4.34 1.30 1 88 ASP -1.56 0.25 1 89 VAL 1.53 -0.38 1 90 MET 0.48 -1.05 1 91 ASN -1.30 -1.17 1 92 TYR -2.91 -1.51 1 93 PHE -4.23 -2.57 1 94 ALA -0.71 -4.44 1 95 TRP 0.41 -0.72 1 96 GLU 2.97 1.63 1 97 ARG -2.51 -2.33 1 98 ASN 0.78 -0.73 1 100 SER 3.09 0.91 1 101 THR -0.05 -1.34 1 102 ILE -2.13 -2.38 1 103 SER 2.05 0.26 1 104 SER 0.31 -1.66 1 107 HIS 1.44 -1.13 1 109 ALA -4.99 -2.22 1 110 SER -7.49 -3.85 1 111 LEU -3.88 -2.40 1 112 SER -6.62 -5.11 1 113 ARG 3.50 1.45 1 114 SER 4.13 1.18 1 115 THR 0.34 -2.39 1 116 ALA 3.83 -0.38 1 117 PHE 5.94 0.53 1 118 LEU -1.46 -0.46 1 119 ARG -4.45 -3.88 1 120 TRP -6.18 -5.57 1 121 LYS -4.68 -3.11 1 122 ASP 1.25 -0.14 1 123 TYR -4.85 -0.06 1 124 ASN 1.41 -0.30 1 126 ASN 1.22 0.19 1 127 VAL 2.60 0.49 1 128 ARG 0.98 -1.65 1 129 LEU -2.77 -1.56 1 131 TYR -4.94 -3.06 1 132 VAL -4.29 -3.78 1 134 LYS -6.43 -2.82 1 135 PHE -1.33 -2.77 1 136 THR -1.02 -1.34 1 137 ASP 0.08 -1.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 6.63 _LACS_plot.Line_2_terminator_val_y_2 -3.09 _LACS_plot.Y_axis_chem_shift_offset 1.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ASN -6.25 5.95 0 23 TRP 4.73 0.41 0 11 SER -0.13 -1.98 1 12 HIS -2.92 2.66 1 14 TYR -5.43 2.66 1 15 ALA -6.35 3.55 1 16 LEU -2.43 -0.26 1 17 PHE -0.06 -1.15 1 18 LEU 0.29 -1.72 1 19 SER -1.04 -1.68 1 21 LYS -7.49 5.64 1 22 SER -0.41 -1.11 1 24 THR 5.28 -2.16 1 25 ASP 4.07 -2.75 1 26 ALA 3.34 -2.46 1 27 ASP 4.74 -1.68 1 28 LEU 3.69 -2.30 1 29 ALA 4.21 -3.04 1 31 GLN 2.11 -1.71 1 32 LYS 2.49 -2.50 1 33 ARG -0.14 -1.93 1 35 SER 2.01 -2.37 1 38 LEU 0.49 0.12 1 39 VAL -0.02 -0.85 1 40 SER -4.35 -0.24 1 41 VAL 1.48 -2.03 1 42 LEU 0.97 -2.98 1 43 SER -4.00 1.02 1 45 ALA 3.48 -2.17 1 46 GLU 2.58 -1.43 1 48 SER 0.43 -2.68 1 49 PHE 5.75 -3.18 1 50 VAL 6.64 -3.23 1 51 SER 3.84 -1.97 1 52 SER 4.06 -2.18 1 53 LEU 1.10 -0.52 1 54 VAL 1.72 -2.49 1 55 LYS 3.74 -2.37 1 56 SER 1.23 -1.59 1 57 ILE 1.55 -1.61 1 59 ASN 1.70 -1.32 1 60 SER 2.11 -1.69 1 61 TYR -1.64 0.23 1 62 SER -0.22 0.15 1 63 TYR -5.51 3.22 1 64 VAL -6.32 2.64 1 65 TRP -1.72 2.06 1 66 ILE -3.20 0.62 1 68 LEU -2.04 -0.55 1 69 HIS -3.12 0.73 1 70 ASP -1.02 -3.71 1 72 THR 0.93 -1.78 1 73 GLN 2.30 -3.55 1 75 THR 1.54 -1.71 1 76 GLU 0.52 -2.01 1 78 ASN 1.32 -1.81 1 80 GLU 1.42 -2.31 1 82 TRP 1.47 -1.81 1 83 GLU -4.01 0.31 1 84 TRP -2.59 -0.17 1 85 SER 3.37 -2.08 1 86 SER 1.82 -0.82 1 87 SER 4.34 -3.04 1 88 ASP -1.56 1.81 1 89 VAL 1.53 -1.91 1 90 MET 0.48 -1.53 1 91 ASN -1.30 0.13 1 92 TYR -2.91 1.40 1 93 PHE -4.23 1.66 1 94 ALA -0.71 -3.73 1 95 TRP 0.41 -1.13 1 96 GLU 2.97 -1.34 1 97 ARG -2.51 0.18 1 98 ASN 0.78 -1.51 1 100 SER 3.09 -2.18 1 101 THR -0.05 -1.29 1 102 ILE -2.13 -0.25 1 103 SER 2.05 -1.79 1 104 SER 0.31 -1.97 1 107 HIS 1.44 -2.57 1 109 ALA -4.99 2.77 1 110 SER -7.49 3.64 1 111 LEU -3.88 1.48 1 112 SER -6.62 1.51 1 113 ARG 3.50 -2.05 1 114 SER 4.13 -2.95 1 115 THR 0.34 -2.73 1 116 ALA 3.83 -4.21 1 117 PHE 5.94 -5.41 1 118 LEU -1.46 1.00 1 119 ARG -4.45 0.57 1 120 TRP -6.18 0.61 1 121 LYS -4.68 1.57 1 122 ASP 1.25 -1.39 1 123 TYR -4.85 4.79 1 124 ASN 1.41 -1.71 1 126 ASN 1.22 -1.03 1 127 VAL 2.60 -2.11 1 128 ARG 0.98 -2.63 1 129 LEU -2.77 1.21 1 131 TYR -4.94 1.88 1 132 VAL -4.29 0.51 1 134 LYS -6.43 3.61 1 135 PHE -1.33 -1.44 1 136 THR -1.02 -0.32 1 137 ASP 0.08 -1.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.63 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 VAL -4.29 -1.81 0 11 SER -0.13 -0.09 1 12 HIS -2.92 0.12 1 14 TYR -5.43 0.98 1 15 ALA -6.35 0.52 1 16 LEU -2.43 0.18 1 17 PHE -0.06 -0.36 1 18 LEU 0.29 -0.38 1 19 SER -1.04 -0.01 1 21 LYS -7.49 0.45 1 22 SER -0.41 0.47 1 23 TRP 4.73 -0.51 1 24 THR 5.28 -0.72 1 25 ASP 4.07 -0.41 1 26 ALA 3.34 -1.48 1 27 ASP 4.74 -1.01 1 28 LEU 3.69 -0.70 1 29 ALA 4.21 -0.50 1 31 GLN 2.11 -0.23 1 32 LYS 2.49 -0.28 1 33 ARG -0.14 -0.21 1 35 SER 2.01 -0.39 1 37 ASN -6.25 -0.25 1 38 LEU 0.49 0.56 1 39 VAL -0.02 -0.41 1 40 SER -4.35 -0.95 1 41 VAL 1.48 0.01 1 42 LEU 0.97 0.23 1 43 SER -4.00 -0.57 1 45 ALA 3.48 -0.20 1 46 GLU 2.58 -0.88 1 48 SER 0.43 -0.35 1 49 PHE 5.75 -0.73 1 50 VAL 6.64 -0.31 1 51 SER 3.84 -0.54 1 52 SER 4.06 -0.45 1 53 LEU 1.10 -0.55 1 54 VAL 1.72 -0.46 1 55 LYS 3.74 -0.44 1 56 SER 1.23 -0.14 1 57 ILE 1.55 -0.13 1 59 ASN 1.70 -0.23 1 60 SER 2.11 -0.28 1 61 TYR -1.64 0.18 1 62 SER -0.22 -0.13 1 63 TYR -5.51 1.18 1 64 VAL -6.32 0.20 1 65 TRP -1.72 0.78 1 66 ILE -3.20 0.79 1 68 LEU -2.04 0.32 1 69 HIS -3.12 0.40 1 70 ASP -1.02 -0.31 1 72 THR 0.93 -0.21 1 73 GLN 2.30 -1.42 1 75 THR 1.54 -0.16 1 76 GLU 0.52 -0.75 1 78 ASN 1.32 -0.27 1 80 GLU 1.42 -0.06 1 82 TRP 1.47 -0.44 1 83 GLU -4.01 0.35 1 84 TRP -2.59 0.73 1 85 SER 3.37 0.17 1 86 SER 1.82 -0.21 1 87 SER 4.34 -0.21 1 88 ASP -1.56 0.00 1 89 VAL 1.53 -0.18 1 90 MET 0.48 0.33 1 91 ASN -1.30 0.28 1 92 TYR -2.91 0.09 1 93 PHE -4.23 -0.36 1 94 ALA -0.71 -0.45 1 95 TRP 0.41 -0.22 1 96 GLU 2.97 -0.32 1 97 ARG -2.51 -0.05 1 98 ASN 0.78 -1.21 1 100 SER 3.09 -0.25 1 101 THR -0.05 -0.03 1 102 ILE -2.13 0.01 1 103 SER 2.05 -0.20 1 104 SER 0.31 0.47 1 107 HIS 1.44 0.18 1 109 ALA -4.99 1.44 1 110 SER -7.49 1.07 1 111 LEU -3.88 0.96 1 112 SER -6.62 0.54 1 113 ARG 3.50 -0.32 1 114 SER 4.13 -0.43 1 115 THR 0.34 0.15 1 116 ALA 3.83 -0.53 1 117 PHE 5.94 -0.90 1 118 LEU -1.46 0.07 1 119 ARG -4.45 0.58 1 120 TRP -6.18 1.09 1 121 LYS -4.68 0.91 1 122 ASP 1.25 0.48 1 123 TYR -4.85 -0.08 1 124 ASN 1.41 0.07 1 126 ASN 1.22 -0.05 1 127 VAL 2.60 -0.25 1 128 ARG 0.98 -0.06 1 129 LEU -2.77 0.15 1 131 TYR -4.94 0.81 1 134 LYS -6.43 0.70 1 135 PHE -1.33 0.47 1 136 THR -1.02 0.15 1 137 ASP 0.08 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 6.63 _LACS_plot.Line_2_terminator_val_y_2 1.57 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 TRP -2.59 4.28 0 11 SER -0.13 -1.17 1 12 HIS -2.92 -2.31 1 14 TYR -5.43 -1.94 1 15 ALA -6.35 -4.12 1 16 LEU -2.43 -1.40 1 17 PHE -0.06 -1.46 1 18 LEU 0.29 -0.61 1 19 SER -1.04 0.32 1 21 LYS -7.49 -0.15 1 22 SER -0.41 -1.88 1 23 TRP 4.73 1.39 1 24 THR 5.28 1.52 1 25 ASP 4.07 2.00 1 26 ALA 3.34 -0.74 1 27 ASP 4.74 2.04 1 28 LEU 3.69 2.16 1 29 ALA 4.21 4.61 1 31 GLN 2.11 0.32 1 32 LYS 2.49 1.13 1 33 ARG -0.14 -0.79 1 35 SER 2.01 1.14 1 37 ASN -6.25 0.20 1 38 LEU 0.49 -2.06 1 39 VAL -0.02 -3.57 1 40 SER -4.35 -2.71 1 41 VAL 1.48 -1.39 1 42 LEU 0.97 -1.57 1 43 SER -4.00 -1.40 1 45 ALA 3.48 2.65 1 46 GLU 2.58 1.76 1 48 SER 0.43 -1.87 1 49 PHE 5.75 3.09 1 50 VAL 6.64 0.78 1 51 SER 3.84 1.40 1 52 SER 4.06 1.09 1 53 LEU 1.10 0.81 1 54 VAL 1.72 -0.03 1 55 LYS 3.74 0.65 1 56 SER 1.23 0.22 1 57 ILE 1.55 -0.22 1 59 ASN 1.70 0.73 1 60 SER 2.11 -1.02 1 61 TYR -1.64 -0.15 1 62 SER -0.22 -3.31 1 63 TYR -5.51 -2.04 1 64 VAL -6.32 -0.47 1 65 TRP -1.72 0.13 1 66 ILE -3.20 0.20 1 68 LEU -2.04 -2.86 1 69 HIS -3.12 -3.02 1 70 ASP -1.02 1.44 1 72 THR 0.93 0.84 1 73 GLN 2.30 -1.03 1 75 THR 1.54 0.73 1 76 GLU 0.52 -0.08 1 78 ASN 1.32 0.31 1 80 GLU 1.42 -0.19 1 82 TRP 1.47 -0.33 1 83 GLU -4.01 -1.50 1 85 SER 3.37 0.85 1 86 SER 1.82 1.01 1 87 SER 4.34 -0.76 1 88 ASP -1.56 -1.18 1 89 VAL 1.53 -0.38 1 90 MET 0.48 -2.04 1 91 ASN -1.30 -1.75 1 92 TYR -2.91 -3.14 1 93 PHE -4.23 2.09 1 94 ALA -0.71 -3.04 1 95 TRP 0.41 2.83 1 96 GLU 2.97 -0.10 1 97 ARG -2.51 -1.70 1 98 ASN 0.78 1.09 1 100 SER 3.09 0.66 1 101 THR -0.05 -0.97 1 102 ILE -2.13 -0.93 1 103 SER 2.05 0.25 1 104 SER 0.31 -1.43 1 107 HIS 1.44 -0.91 1 109 ALA -4.99 -4.06 1 110 SER -7.49 -0.24 1 111 LEU -3.88 0.36 1 112 SER -6.62 1.08 1 113 ARG 3.50 2.83 1 114 SER 4.13 0.72 1 115 THR 0.34 0.86 1 116 ALA 3.83 -2.04 1 117 PHE 5.94 -2.18 1 118 LEU -1.46 -0.02 1 119 ARG -4.45 -1.27 1 120 TRP -6.18 0.37 1 121 LYS -4.68 -0.25 1 122 ASP 1.25 -1.50 1 123 TYR -4.85 -1.99 1 124 ASN 1.41 -1.48 1 126 ASN 1.22 0.45 1 127 VAL 2.60 -1.69 1 128 ARG 0.98 -1.48 1 129 LEU -2.77 -0.50 1 131 TYR -4.94 -3.85 1 132 VAL -4.29 -0.19 1 134 LYS -6.43 -2.70 1 135 PHE -1.33 -2.31 1 136 THR -1.02 -1.97 1 137 ASP 0.08 3.13 1 stop_ save_