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 bmr17318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 6.89 _LACS_plot.Line_2_terminator_val_y_2 5.13 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 GLN -7.27 -1.92 0 17 LYS 0.61 -2.38 0 61 LYS -0.12 -2.90 0 33 PHE -7.36 -1.72 0 10 LYS -2.57 -1.56 1 11 VAL 1.40 -0.27 1 12 THR -0.05 -1.24 1 14 LEU -4.61 -1.37 1 15 LYS -3.55 -1.29 1 16 LEU -0.24 -0.23 1 18 ARG 4.91 4.19 1 19 LYS 4.15 2.86 1 20 SER -0.48 -1.12 1 21 ARG 4.61 1.47 1 23 LEU -5.43 -1.83 1 24 GLU -3.54 -1.73 1 25 ILE -3.78 -0.92 1 26 SER -2.35 -1.22 1 27 PHE -4.77 -1.03 1 28 ASP 2.58 0.99 1 29 ASN 0.51 -1.03 1 31 GLN -0.77 0.70 1 32 GLN -4.48 -1.55 1 34 THR 0.12 0.08 1 35 LEU -5.82 -2.31 1 36 SER -0.66 -1.01 1 38 GLU 3.09 3.31 1 39 LEU 4.78 3.98 1 40 LEU 3.21 2.91 1 41 ARG 3.34 1.03 1 42 VAL 3.62 1.74 1 43 TYR 2.73 1.06 1 44 SER -0.90 -0.39 1 46 SER -0.43 -0.74 1 47 ALA -0.04 0.04 1 48 GLU -0.31 -0.10 1 49 VAL 0.11 0.05 1 50 HIS -0.11 0.52 1 52 HIS 0.32 0.45 1 54 ASN -0.10 -0.29 1 56 VAL 0.12 -0.14 1 57 LEU -0.77 -0.60 1 58 VAL 1.43 0.27 1 59 THR -2.28 -1.66 1 60 HIS 5.28 2.08 1 62 LYS 2.96 3.50 1 63 ASN -0.72 -1.28 1 64 VAL 1.40 0.65 1 65 ASN -7.82 -3.83 1 66 ILE -0.72 0.13 1 67 ASN -1.19 -0.40 1 68 ALA -3.04 -0.64 1 69 ILE -1.66 -0.49 1 70 THR -2.23 -1.11 1 72 VAL -0.28 -0.70 1 74 ASN -1.02 -1.06 1 75 TYR -3.36 -2.44 1 76 ALA -4.91 -1.51 1 77 VAL -5.76 -3.05 1 78 LYS -1.95 -1.28 1 79 LEU -1.91 -2.20 1 80 VAL 0.56 -0.45 1 81 PHE -2.33 -0.01 1 82 ASP 1.99 0.29 1 83 ASP -0.24 -1.31 1 85 HIS 1.46 2.67 1 86 ASP -2.25 -1.34 1 87 THR -1.08 -1.07 1 89 LEU -1.06 -1.10 1 90 TYR 0.35 -1.01 1 91 SER -2.60 -1.46 1 92 TRP 0.82 1.61 1 93 LYS 3.65 3.29 1 94 VAL 4.84 3.83 1 95 LEU 3.68 3.05 1 96 TYR 5.66 4.45 1 97 ASP 4.20 3.30 1 98 LEU 2.06 1.95 1 99 ALA 3.62 1.97 1 100 SER 3.27 2.32 1 101 ASN -0.69 -0.64 1 102 GLN 4.69 4.78 1 103 VAL 6.89 5.09 1 104 ASP 3.47 2.98 1 105 LEU 3.87 2.28 1 106 TRP 1.63 2.18 1 107 GLU 4.01 2.75 1 108 ASN 3.07 3.47 1 109 TYR 4.23 3.06 1 110 LEU 4.10 2.35 1 111 ALA 3.82 2.43 1 112 ARG 3.86 3.55 1 113 LEU 3.75 2.93 1 114 ARG 4.03 3.18 1 115 ALA 3.03 1.93 1 116 ALA -1.01 -0.95 1 117 LYS 4.78 0.66 1 118 ALA -5.82 -2.33 1 119 SER -4.22 -2.49 1 120 ARG -2.16 0.19 1 121 GLU 1.84 0.96 1 123 LEU 0.00 -0.32 1 124 ILE -0.65 -0.51 1 125 ASP -0.31 -0.28 1 126 MET 0.28 -0.16 1 127 ALA 0.22 0.07 1 128 VAL 0.35 0.05 1 129 LYS -0.33 -0.41 1 130 TYR -0.41 -0.40 1 131 HIS -0.67 0.17 1 132 THR 1.11 1.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 5.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.89 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 GLN -7.27 5.35 0 17 LYS 0.61 -2.99 0 61 LYS -0.12 -2.78 0 33 PHE -7.36 5.64 0 10 LYS -2.57 1.01 1 11 VAL 1.40 -1.67 1 12 THR -0.05 -1.19 1 14 LEU -4.61 3.24 1 15 LYS -3.55 2.26 1 16 LEU -0.24 0.01 1 18 ARG 4.91 -0.72 1 19 LYS 4.15 -1.29 1 20 SER -0.48 -0.64 1 21 ARG 4.61 -3.14 1 23 LEU -5.43 3.60 1 24 GLU -3.54 1.81 1 25 ILE -3.78 2.86 1 26 SER -2.35 1.13 1 27 PHE -4.77 3.74 1 28 ASP 2.58 -1.59 1 29 ASN 0.51 -1.54 1 31 GLN -0.77 1.47 1 32 GLN -4.48 2.93 1 34 THR 0.12 -0.04 1 35 LEU -5.82 3.51 1 36 SER -0.66 -0.35 1 38 GLU 3.09 0.22 1 39 LEU 4.78 -0.80 1 40 LEU 3.21 -0.30 1 41 ARG 3.34 -2.31 1 42 VAL 3.62 -1.88 1 43 TYR 2.73 -1.67 1 44 SER -0.90 0.51 1 46 SER -0.43 -0.31 1 47 ALA -0.04 0.08 1 48 GLU -0.31 0.21 1 49 VAL 0.11 -0.06 1 50 HIS -0.11 0.63 1 52 HIS 0.32 0.13 1 54 ASN -0.10 -0.19 1 56 VAL 0.12 -0.26 1 57 LEU -0.77 0.17 1 58 VAL 1.43 -1.16 1 59 THR -2.28 0.62 1 60 HIS 5.28 -3.20 1 62 LYS 2.96 0.54 1 63 ASN -0.72 -0.56 1 64 VAL 1.40 -0.75 1 65 ASN -7.82 3.99 1 66 ILE -0.72 0.85 1 67 ASN -1.19 0.79 1 68 ALA -3.04 2.40 1 69 ILE -1.66 1.17 1 70 THR -2.23 1.12 1 72 VAL -0.28 -0.42 1 74 ASN -1.02 -0.04 1 75 TYR -3.36 0.92 1 76 ALA -4.91 3.40 1 77 VAL -5.76 2.71 1 78 LYS -1.95 0.67 1 79 LEU -1.91 -0.29 1 80 VAL 0.56 -1.01 1 81 PHE -2.33 2.32 1 82 ASP 1.99 -1.70 1 83 ASP -0.24 -1.07 1 85 HIS 1.46 1.21 1 86 ASP -2.25 0.91 1 87 THR -1.08 0.01 1 89 LEU -1.06 -0.04 1 90 TYR 0.35 -1.36 1 91 SER -2.60 1.14 1 92 TRP 0.82 0.79 1 93 LYS 3.65 -0.36 1 94 VAL 4.84 -1.01 1 95 LEU 3.68 -0.63 1 96 TYR 5.66 -1.21 1 97 ASP 4.20 -0.90 1 98 LEU 2.06 -0.11 1 99 ALA 3.62 -1.65 1 100 SER 3.27 -0.95 1 101 ASN -0.69 0.05 1 102 GLN 4.69 0.09 1 103 VAL 6.89 -1.80 1 104 ASP 3.47 -0.49 1 105 LEU 3.87 -1.59 1 106 TRP 1.63 0.55 1 107 GLU 4.01 -1.26 1 108 ASN 3.07 0.40 1 109 TYR 4.23 -1.17 1 110 LEU 4.10 -1.75 1 111 ALA 3.82 -1.39 1 112 ARG 3.86 -0.31 1 113 LEU 3.75 -0.82 1 114 ARG 4.03 -0.85 1 115 ALA 3.03 -1.10 1 116 ALA -1.01 0.06 1 117 LYS 4.78 -4.12 1 118 ALA -5.82 3.49 1 119 SER -4.22 1.73 1 120 ARG -2.16 2.35 1 121 GLU 1.84 -0.88 1 123 LEU 0.00 -0.32 1 124 ILE -0.65 0.14 1 125 ASP -0.31 0.03 1 126 MET 0.28 -0.44 1 127 ALA 0.22 -0.15 1 128 VAL 0.35 -0.30 1 129 LYS -0.33 -0.08 1 130 TYR -0.41 0.01 1 131 HIS -0.67 0.84 1 132 THR 1.11 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 0.80 _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 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.89 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 76 ALA -4.91 -0.19 0 75 TYR -3.36 -0.50 0 10 LYS -2.57 0.14 1 11 VAL 1.40 -0.69 1 12 THR -0.05 -0.14 1 14 LEU -4.61 0.66 1 15 LYS -3.55 0.23 1 16 LEU -0.24 0.02 1 17 LYS 0.61 0.38 1 18 ARG 4.91 -0.26 1 19 LYS 4.15 -0.21 1 20 SER -0.48 0.04 1 21 ARG 4.61 -0.40 1 22 GLN -7.27 0.80 1 23 LEU -5.43 0.47 1 24 GLU -3.54 0.80 1 25 ILE -3.78 0.52 1 26 SER -2.35 0.69 1 27 PHE -4.77 0.85 1 28 ASP 2.58 -0.33 1 29 ASN 0.51 0.01 1 31 GLN -0.77 -0.05 1 32 GLN -4.48 1.04 1 33 PHE -7.36 0.43 1 34 THR 0.12 0.68 1 35 LEU -5.82 0.52 1 36 SER -0.66 0.13 1 38 GLU 3.09 -0.75 1 39 LEU 4.78 -0.37 1 40 LEU 3.21 -0.43 1 41 ARG 3.34 -0.88 1 42 VAL 3.62 -0.46 1 43 TYR 2.73 -0.06 1 44 SER -0.90 -0.17 1 46 SER -0.43 0.05 1 47 ALA -0.04 -0.03 1 48 GLU -0.31 -0.09 1 49 VAL 0.11 -0.03 1 50 HIS -0.11 0.05 1 52 HIS 0.32 -0.05 1 54 ASN -0.10 -0.03 1 56 VAL 0.12 -0.20 1 57 LEU -0.77 -0.14 1 58 VAL 1.43 -0.05 1 59 THR -2.28 -0.08 1 60 HIS 5.28 -0.74 1 61 LYS -0.12 0.44 1 62 LYS 2.96 -0.21 1 63 ASN -0.72 0.12 1 64 VAL 1.40 0.05 1 65 ASN -7.82 0.52 1 66 ILE -0.72 -0.12 1 67 ASN -1.19 0.04 1 68 ALA -3.04 0.15 1 69 ILE -1.66 0.28 1 70 THR -2.23 0.34 1 72 VAL -0.28 -0.17 1 74 ASN -1.02 0.27 1 77 VAL -5.76 0.76 1 78 LYS -1.95 0.80 1 79 LEU -1.91 0.36 1 80 VAL 0.56 0.31 1 81 PHE -2.33 0.66 1 82 ASP 1.99 -0.23 1 83 ASP -0.24 0.10 1 85 HIS 1.46 -0.04 1 86 ASP -2.25 0.62 1 87 THR -1.08 -0.10 1 89 LEU -1.06 0.29 1 90 TYR 0.35 -0.06 1 91 SER -2.60 0.35 1 92 TRP 0.82 0.48 1 93 LYS 3.65 -0.12 1 94 VAL 4.84 -0.18 1 95 LEU 3.68 -0.23 1 96 TYR 5.66 -0.85 1 97 ASP 4.20 -0.59 1 98 LEU 2.06 -0.63 1 99 ALA 3.62 -0.74 1 100 SER 3.27 -0.83 1 101 ASN -0.69 0.51 1 102 GLN 4.69 -0.36 1 103 VAL 6.89 -0.23 1 104 ASP 3.47 -0.14 1 105 LEU 3.87 -0.20 1 106 TRP 1.63 0.30 1 107 GLU 4.01 -0.41 1 108 ASN 3.07 -0.30 1 109 TYR 4.23 -0.42 1 110 LEU 4.10 -0.99 1 111 ALA 3.82 -0.35 1 112 ARG 3.86 -0.40 1 113 LEU 3.75 -0.76 1 114 ARG 4.03 -0.27 1 115 ALA 3.03 -0.22 1 116 ALA -1.01 -0.04 1 117 LYS 4.78 -0.44 1 118 ALA -5.82 0.38 1 119 SER -4.22 0.30 1 120 ARG -2.16 0.16 1 121 GLU 1.84 -0.44 1 123 LEU 0.00 -0.17 1 124 ILE -0.65 -0.04 1 125 ASP -0.31 -0.06 1 126 MET 0.28 -0.05 1 127 ALA 0.22 -0.03 1 128 VAL 0.35 -0.15 1 129 LYS -0.33 -0.05 1 130 TYR -0.41 0.02 1 131 HIS -0.67 -0.02 1 132 THR 1.11 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 6.89 _LACS_plot.Line_2_terminator_val_y_2 2.72 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 VAL 1.40 -4.39 0 27 PHE -4.77 1.98 0 11 VAL 1.40 -0.43 1 12 THR -0.05 0.05 1 14 LEU -4.61 -2.51 1 15 LYS -3.55 -2.35 1 16 LEU -0.24 -1.83 1 18 ARG 4.91 3.70 1 19 LYS 4.15 0.69 1 20 SER -0.48 -1.40 1 21 ARG 4.61 -0.59 1 22 GLN -7.27 -3.06 1 23 LEU -5.43 -3.46 1 24 GLU -3.54 -0.93 1 25 ILE -3.78 -2.71 1 26 SER -2.35 -1.73 1 28 ASP 2.58 -0.99 1 29 ASN 0.51 1.14 1 31 GLN -0.77 -1.46 1 32 GLN -4.48 -1.99 1 33 PHE -7.36 -1.50 1 34 THR 0.12 -1.53 1 35 LEU -5.82 -2.21 1 36 SER -0.66 0.23 1 38 GLU 3.09 0.17 1 42 VAL 3.62 0.48 1 43 TYR 2.73 -2.51 1 46 SER -0.43 -0.41 1 47 ALA -0.04 -0.32 1 48 GLU -0.31 -0.43 1 49 VAL 0.11 -0.56 1 50 HIS -0.11 0.96 1 52 HIS 0.32 0.67 1 56 VAL 0.12 -0.73 1 57 LEU -0.77 -2.50 1 58 VAL 1.43 -0.96 1 59 THR -2.28 -1.04 1 60 HIS 5.28 2.08 1 62 LYS 2.96 1.24 1 63 ASN -0.72 -0.22 1 66 ILE -0.72 -2.02 1 67 ASN -1.19 0.10 1 68 ALA -3.04 -4.30 1 69 ILE -1.66 -1.22 1 72 VAL -0.28 -2.21 1 74 ASN -1.02 0.71 1 75 TYR -3.36 -3.27 1 76 ALA -4.91 -2.01 1 77 VAL -5.76 -2.82 1 80 VAL 0.56 -0.51 1 82 ASP 1.99 -0.84 1 83 ASP -0.24 1.22 1 87 THR -1.08 0.70 1 89 LEU -1.06 -2.25 1 90 TYR 0.35 -1.41 1 91 SER -2.60 0.30 1 92 TRP 0.82 1.78 1 93 LYS 3.65 1.23 1 94 VAL 4.84 2.39 1 95 LEU 3.68 0.28 1 96 TYR 5.66 2.35 1 97 ASP 4.20 1.71 1 98 LEU 2.06 -0.48 1 99 ALA 3.62 1.79 1 100 SER 3.27 0.18 1 101 ASN -0.69 0.20 1 103 VAL 6.89 1.81 1 104 ASP 3.47 3.21 1 105 LEU 3.87 3.93 1 106 TRP 1.63 0.54 1 107 GLU 4.01 3.14 1 108 ASN 3.07 1.90 1 110 LEU 4.10 2.44 1 111 ALA 3.82 3.18 1 112 ARG 3.86 3.40 1 113 LEU 3.75 1.50 1 114 ARG 4.03 4.14 1 115 ALA 3.03 0.58 1 116 ALA -1.01 -1.72 1 118 ALA -5.82 -2.13 1 119 SER -4.22 -0.19 1 120 ARG -2.16 0.43 1 123 LEU 0.00 -0.69 1 124 ILE -0.65 -1.16 1 125 ASP -0.31 -0.28 1 126 MET 0.28 -0.46 1 127 ALA 0.22 -0.24 1 128 VAL 0.35 -0.62 1 129 LYS -0.33 -0.84 1 130 TYR -0.41 -0.93 1 131 HIS -0.67 -0.58 1 stop_ save_