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 bmr15700_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 4.84 _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 22 HIS -0.21 3.95 0 13 GLU 0.09 -0.25 1 14 GLU -0.31 -0.10 1 15 ARG 0.02 0.01 1 17 GLN 0.08 0.05 1 18 ARG -0.54 -0.27 1 21 GLU 1.54 0.53 1 23 TYR -6.55 -0.05 1 24 ASP -1.23 -0.86 1 25 ARG -4.97 -1.78 1 28 LEU -3.85 -2.05 1 29 LEU -1.09 -0.71 1 30 LYS -0.43 -1.20 1 31 ALA -3.85 -0.31 1 35 ASP 3.39 2.02 1 36 LYS -3.45 0.07 1 37 LEU -1.75 -1.75 1 38 TYR -7.67 -0.82 1 39 THR 7.01 5.26 1 41 ARG 3.85 2.59 1 42 LEU 6.35 2.91 1 44 HIS 4.77 3.76 1 45 ASP 4.78 2.64 1 46 ASN 1.35 1.24 1 47 ASN -3.39 0.84 1 48 GLU -5.45 -2.87 1 49 ASP -0.41 -1.17 1 50 HIS -2.35 -1.02 1 51 GLN -2.38 -0.83 1 52 LEU 1.34 0.35 1 53 ASP -0.50 -1.61 1 54 ARG 3.37 1.36 1 55 PHE 3.53 1.38 1 56 LYS -1.23 -0.74 1 57 VAL 3.07 2.83 1 58 LYS -3.53 -0.29 1 59 GLU -7.21 -1.93 1 60 VAL -7.26 -4.70 1 61 GLN -7.15 -2.57 1 63 ILE 2.85 2.56 1 64 ASN 0.78 2.52 1 66 GLU 4.82 1.99 1 67 LYS 0.91 1.43 1 68 ILE 1.53 -0.18 1 69 GLN -7.88 -2.28 1 70 HIS 0.25 1.30 1 71 ALA 2.99 1.89 1 72 GLN -0.63 -1.41 1 73 GLN 5.06 4.51 1 74 THR -4.49 -2.73 1 76 GLU 1.26 0.71 1 77 GLU -1.13 0.95 1 79 SER 4.52 2.14 1 80 THR 3.35 3.46 1 81 LEU 0.15 -0.10 1 82 PHE 0.16 -1.23 1 84 GLU 2.07 2.84 1 85 TYR -2.69 -0.64 1 86 TYR -6.05 -3.86 1 88 ASP -0.38 -0.24 1 89 ILE 1.38 2.01 1 91 HIS 7.93 3.74 1 92 LEU -4.34 -1.38 1 93 PHE -5.41 -2.31 1 94 ASP -4.49 -0.87 1 95 LYS -0.20 0.42 1 96 ASP 2.26 1.95 1 97 LYS -1.60 -1.43 1 98 LYS 4.73 0.10 1 99 GLN 3.98 1.86 1 100 TYR -4.40 -2.11 1 101 HIS -0.69 1.33 1 103 GLU 2.82 2.20 1 104 ASN 3.45 2.95 1 107 ILE -8.53 -2.87 1 109 ARG -6.04 -3.04 1 110 ILE 3.04 1.10 1 113 LYS 4.52 3.68 1 114 GLU 3.95 2.13 1 115 ASP 0.52 0.27 1 116 PHE -4.95 0.01 1 117 PHE -4.68 -2.39 1 118 HIS -1.63 0.32 1 121 LYS 2.42 2.53 1 123 ASN 2.12 0.35 1 124 LEU -4.50 -1.06 1 126 LEU -6.04 -2.35 1 127 ALA 0.62 0.05 1 129 ASN 3.94 1.96 1 130 LEU 0.06 -0.45 1 131 GLN 4.67 3.61 1 133 ARG -1.58 -1.01 1 135 LYS -0.68 -0.81 1 137 ILE 0.79 1.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15700_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 5.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.87 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 -3.09 _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 22 HIS -0.21 4.16 0 13 GLU 0.09 -0.34 1 14 GLU -0.31 0.21 1 15 ARG 0.02 -0.01 1 17 GLN 0.08 -0.03 1 18 ARG -0.54 0.27 1 21 GLU 1.54 -1.01 1 23 TYR -6.55 6.50 1 24 ASP -1.23 0.37 1 25 ARG -4.97 3.19 1 28 LEU -3.85 1.80 1 29 LEU -1.09 0.38 1 30 LYS -0.43 -0.77 1 31 ALA -3.85 3.54 1 35 ASP 3.39 -1.37 1 36 LYS -3.45 3.52 1 37 LEU -1.75 0.00 1 38 TYR -7.67 6.85 1 39 THR 7.01 -1.75 1 41 ARG 3.85 -1.26 1 42 LEU 6.35 -3.44 1 44 HIS 4.77 -1.01 1 45 ASP 4.78 -2.14 1 46 ASN 1.35 -0.11 1 47 ASN -3.39 4.23 1 48 GLU -5.45 2.58 1 49 ASP -0.41 -0.76 1 50 HIS -2.35 1.33 1 51 GLN -2.38 1.55 1 52 LEU 1.34 -0.99 1 53 ASP -0.50 -1.11 1 54 ARG 3.37 -2.01 1 55 PHE 3.53 -2.15 1 56 LYS -1.23 0.49 1 57 VAL 3.07 -0.24 1 58 LYS -3.53 3.24 1 59 GLU -7.21 5.28 1 60 VAL -7.26 2.56 1 61 GLN -7.15 4.58 1 63 ILE 2.85 -0.29 1 64 ASN 0.78 1.74 1 66 GLU 4.82 -2.83 1 67 LYS 0.91 0.52 1 68 ILE 1.53 -1.71 1 69 GLN -7.88 5.60 1 70 HIS 0.25 1.05 1 71 ALA 2.99 -1.10 1 72 GLN -0.63 -0.78 1 73 GLN 5.06 -0.55 1 74 THR -4.49 1.76 1 76 GLU 1.26 -0.55 1 77 GLU -1.13 2.08 1 79 SER 4.52 -2.38 1 80 THR 3.35 0.11 1 81 LEU 0.15 -0.25 1 82 PHE 0.16 -1.39 1 84 GLU 2.07 0.77 1 85 TYR -2.69 2.05 1 86 TYR -6.05 2.19 1 88 ASP -0.38 0.14 1 89 ILE 1.38 0.63 1 91 HIS 7.93 -4.19 1 92 LEU -4.34 2.96 1 93 PHE -5.41 3.10 1 94 ASP -4.49 3.62 1 95 LYS -0.20 0.62 1 96 ASP 2.26 -0.31 1 97 LYS -1.60 0.17 1 98 LYS 4.73 -4.63 1 99 GLN 3.98 -2.12 1 100 TYR -4.40 2.29 1 101 HIS -0.69 2.02 1 103 GLU 2.82 -0.62 1 104 ASN 3.45 -0.50 1 107 ILE -8.53 5.66 1 109 ARG -6.04 3.00 1 110 ILE 3.04 -1.94 1 113 LYS 4.52 -0.84 1 114 GLU 3.95 -1.82 1 115 ASP 0.52 -0.25 1 116 PHE -4.95 4.96 1 117 PHE -4.68 2.29 1 118 HIS -1.63 1.95 1 121 LYS 2.42 0.11 1 123 ASN 2.12 -1.77 1 124 LEU -4.50 3.44 1 126 LEU -6.04 3.69 1 127 ALA 0.62 -0.57 1 129 ASN 3.94 -1.98 1 130 LEU 0.06 -0.51 1 131 GLN 4.67 -1.06 1 133 ARG -1.58 0.57 1 135 LYS -0.68 -0.13 1 137 ILE 0.79 0.94 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15700_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 HIS 4.77 -2.75 0 13 GLU 0.09 0.02 1 14 GLU -0.31 -0.05 1 15 ARG 0.02 0.03 1 17 GLN 0.08 0.03 1 18 ARG -0.54 0.15 1 21 GLU 1.54 -0.25 1 22 HIS -0.21 -0.52 1 23 TYR -6.55 0.31 1 24 ASP -1.23 0.52 1 25 ARG -4.97 0.99 1 28 LEU -3.85 0.31 1 29 LEU -1.09 -0.03 1 30 LYS -0.43 0.27 1 31 ALA -3.85 -0.14 1 35 ASP 3.39 -0.19 1 36 LYS -3.45 0.13 1 37 LEU -1.75 0.95 1 38 TYR -7.67 0.45 1 39 THR 7.01 -0.25 1 41 ARG 3.85 -0.36 1 42 LEU 6.35 -0.31 1 45 ASP 4.78 -0.52 1 46 ASN 1.35 -0.13 1 47 ASN -3.39 0.15 1 48 GLU -5.45 0.22 1 49 ASP -0.41 -0.06 1 50 HIS -2.35 0.15 1 51 GLN -2.38 0.56 1 52 LEU 1.34 -0.13 1 53 ASP -0.50 0.08 1 54 ARG 3.37 -0.48 1 55 PHE 3.53 0.09 1 56 LYS -1.23 0.09 1 57 VAL 3.07 -0.71 1 58 LYS -3.53 0.17 1 59 GLU -7.21 0.86 1 60 VAL -7.26 0.86 1 61 GLN -7.15 0.68 1 63 ILE 2.85 -0.19 1 64 ASN 0.78 0.07 1 66 GLU 4.82 -0.30 1 67 LYS 0.91 0.01 1 68 ILE 1.53 0.81 1 69 GLN -7.88 0.70 1 70 HIS 0.25 0.14 1 71 ALA 2.99 -0.34 1 72 GLN -0.63 0.03 1 73 GLN 5.06 -0.77 1 74 THR -4.49 -0.19 1 76 GLU 1.26 -0.16 1 77 GLU -1.13 0.25 1 79 SER 4.52 -0.36 1 80 THR 3.35 -0.44 1 81 LEU 0.15 -0.17 1 82 PHE 0.16 -0.04 1 84 GLU 2.07 -0.24 1 85 TYR -2.69 0.05 1 86 TYR -6.05 0.75 1 88 ASP -0.38 -0.88 1 89 ILE 1.38 -0.51 1 91 HIS 7.93 -1.22 1 92 LEU -4.34 -0.15 1 93 PHE -5.41 1.00 1 94 ASP -4.49 1.18 1 95 LYS -0.20 0.21 1 96 ASP 2.26 0.08 1 97 LYS -1.60 0.15 1 98 LYS 4.73 -0.20 1 99 GLN 3.98 0.12 1 100 TYR -4.40 0.38 1 101 HIS -0.69 -0.20 1 103 GLU 2.82 -0.35 1 104 ASN 3.45 -0.28 1 107 ILE -8.53 0.71 1 109 ARG -6.04 -0.10 1 110 ILE 3.04 -0.64 1 113 LYS 4.52 -1.18 1 114 GLU 3.95 -0.15 1 115 ASP 0.52 0.00 1 116 PHE -4.95 0.62 1 117 PHE -4.68 0.47 1 118 HIS -1.63 0.11 1 121 LYS 2.42 -0.02 1 123 ASN 2.12 -0.30 1 124 LEU -4.50 0.24 1 126 LEU -6.04 0.23 1 127 ALA 0.62 -0.36 1 129 ASN 3.94 -0.24 1 130 LEU 0.06 0.15 1 131 GLN 4.67 -0.61 1 133 ARG -1.58 0.27 1 135 LYS -0.68 0.01 1 137 ILE 0.79 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15700_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 0.28 _LACS_plot.Y_axis_chem_shift_offset 0.73 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 HIS 7.93 -3.51 0 13 GLU 0.09 -0.48 1 14 GLU -0.31 0.02 1 15 ARG 0.02 0.54 1 17 GLN 0.08 -0.46 1 18 ARG -0.54 -0.26 1 21 GLU 1.54 -0.59 1 22 HIS -0.21 1.03 1 23 TYR -6.55 -2.79 1 24 ASP -1.23 -1.86 1 25 ARG -4.97 -1.26 1 28 LEU -3.85 -0.77 1 29 LEU -1.09 -2.03 1 30 LYS -0.43 -1.61 1 35 ASP 3.39 -1.95 1 36 LYS -3.45 -1.17 1 37 LEU -1.75 -1.12 1 38 TYR -7.67 0.47 1 39 THR 7.01 -1.20 1 41 ARG 3.85 -1.20 1 42 LEU 6.35 2.34 1 44 HIS 4.77 2.33 1 45 ASP 4.78 1.15 1 46 ASN 1.35 0.70 1 47 ASN -3.39 -1.62 1 48 GLU -5.45 -0.97 1 49 ASP -0.41 -1.50 1 50 HIS -2.35 -1.16 1 51 GLN -2.38 0.51 1 52 LEU 1.34 -1.81 1 53 ASP -0.50 0.10 1 54 ARG 3.37 0.05 1 55 PHE 3.53 1.68 1 56 LYS -1.23 -0.64 1 57 VAL 3.07 -2.39 1 58 LYS -3.53 0.33 1 59 GLU -7.21 -2.69 1 60 VAL -7.26 -2.86 1 61 GLN -7.15 -0.96 1 63 ILE 2.85 -0.97 1 64 ASN 0.78 0.73 1 66 GLU 4.82 -1.39 1 67 LYS 0.91 1.32 1 68 ILE 1.53 -1.38 1 69 GLN -7.88 -2.39 1 70 HIS 0.25 0.75 1 71 ALA 2.99 -2.37 1 72 GLN -0.63 -2.95 1 73 GLN 5.06 -1.76 1 74 THR -4.49 -2.86 1 76 GLU 1.26 -1.11 1 77 GLU -1.13 0.55 1 79 SER 4.52 -1.69 1 80 THR 3.35 -2.39 1 81 LEU 0.15 -0.48 1 82 PHE 0.16 1.98 1 84 GLU 2.07 0.66 1 85 TYR -2.69 -2.60 1 86 TYR -6.05 -3.10 1 88 ASP -0.38 -2.72 1 89 ILE 1.38 0.86 1 92 LEU -4.34 -3.69 1 93 PHE -5.41 -0.04 1 94 ASP -4.49 -0.65 1 95 LYS -0.20 -1.72 1 96 ASP 2.26 0.10 1 97 LYS -1.60 -0.70 1 98 LYS 4.73 0.46 1 99 GLN 3.98 -1.01 1 100 TYR -4.40 -4.40 1 101 HIS -0.69 0.84 1 103 GLU 2.82 -0.06 1 104 ASN 3.45 1.20 1 107 ILE -8.53 -1.58 1 109 ARG -6.04 -2.03 1 110 ILE 3.04 -0.99 1 113 LYS 4.52 0.94 1 114 GLU 3.95 -0.23 1 115 ASP 0.52 0.07 1 116 PHE -4.95 -2.39 1 117 PHE -4.68 -4.19 1 118 HIS -1.63 0.78 1 123 ASN 2.12 -2.76 1 124 LEU -4.50 -1.70 1 126 LEU -6.04 -2.72 1 127 ALA 0.62 1.29 1 129 ASN 3.94 0.73 1 130 LEU 0.06 1.24 1 133 ARG -1.58 -0.84 1 135 LYS -0.68 -1.75 1 stop_ save_