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 bmr11251_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.57 _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 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 4.64 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 TRP 4.68 5.62 0 49 PHE -5.15 -4.61 0 85 MET -6.57 -0.44 0 123 HIS 2.78 5.11 0 10 PHE 2.10 1.84 1 11 TYR 2.48 2.06 1 12 ASP 2.28 2.49 1 13 LYS 3.35 2.84 1 14 GLN 3.65 2.43 1 15 LEU 3.98 2.86 1 16 LYS 4.82 3.80 1 17 VAL 4.90 4.13 1 18 LEU 2.17 2.06 1 19 LEU 1.75 2.10 1 20 SER 3.17 3.15 1 22 ALA -4.23 -1.19 1 23 THR 0.62 0.65 1 24 PHE -6.16 -0.72 1 25 LEU -0.20 -0.18 1 26 VAL -1.57 -0.30 1 27 THR -1.40 -0.91 1 28 PHE -0.81 -0.03 1 30 ASN 0.18 -0.60 1 31 SER 0.23 0.65 1 32 GLU -0.51 -0.14 1 33 LYS -1.62 -0.75 1 35 GLU -6.05 -1.86 1 36 THR 3.40 2.00 1 37 MET -6.04 -0.58 1 38 THR 0.14 0.26 1 40 ARG -3.77 -1.04 1 41 LEU -4.43 -1.33 1 42 SER -0.87 -0.11 1 43 ASN 4.52 3.76 1 44 ASN 0.78 -1.03 1 45 GLN 5.65 1.93 1 46 ARG -0.65 0.90 1 47 TYR -5.85 -1.44 1 48 LEU -2.74 -1.17 1 50 LEU -1.76 -0.45 1 51 ASP -3.70 0.35 1 53 ASP 3.66 3.24 1 54 SER -2.37 -1.55 1 55 HIS -1.86 -0.19 1 56 TYR -4.98 -1.70 1 57 GLU -4.82 -2.15 1 58 ILE -3.99 -0.98 1 59 GLU 0.62 0.35 1 60 ILE 5.31 3.09 1 61 VAL 3.41 1.82 1 62 HIS -1.15 0.68 1 63 ILE 2.80 1.79 1 64 SER -0.20 0.36 1 65 THR -1.89 0.47 1 66 VAL -2.36 -0.68 1 67 GLN -4.58 -1.59 1 68 ILE 0.11 0.05 1 69 LEU -1.38 -1.43 1 70 THR -3.88 -2.39 1 71 GLU -1.13 -0.19 1 73 PHE -0.02 0.24 1 79 ASN -0.29 -0.01 1 80 ALA -0.43 -0.04 1 81 ARG -1.36 -0.81 1 82 ALA -0.51 0.16 1 83 THR -0.89 -0.53 1 86 PHE -4.62 -1.58 1 87 LEU -4.92 -1.19 1 88 GLN -4.63 -1.40 1 89 TYR -5.14 -2.09 1 90 THR -3.26 -1.61 1 91 VAL -1.87 -0.46 1 94 THR -2.42 -0.68 1 95 GLU -0.85 -0.14 1 97 VAL -2.62 -1.14 1 98 THR -0.41 -0.24 1 99 GLN -4.47 -1.61 1 100 LEU -4.63 -0.96 1 101 LYS -4.74 -1.53 1 102 LEU -2.76 -1.67 1 103 THR -1.90 -0.13 1 104 VAL 1.25 1.00 1 105 VAL 0.64 -0.04 1 106 GLU 0.52 0.53 1 107 ASP -0.58 0.08 1 108 VAL 1.05 0.39 1 109 THR 2.19 2.11 1 110 VAL 2.39 1.69 1 112 ARG 3.35 3.06 1 113 ARG 4.76 3.76 1 114 GLN 4.19 2.82 1 115 ALA 2.91 2.80 1 116 VAL 6.07 5.31 1 117 ALA 3.89 2.59 1 119 LEU 3.70 3.63 1 120 VAL 5.63 4.70 1 121 ALA 3.49 2.55 1 122 MET 3.18 1.45 1 124 LYS 3.07 2.70 1 125 ALA 1.94 1.32 1 126 ALA 3.91 3.06 1 127 LYS 3.64 2.52 1 128 LEU 2.11 1.75 1 129 LEU 1.85 1.81 1 130 TYR 1.30 0.94 1 131 GLU 0.71 0.88 1 132 SER 0.71 0.55 1 133 ARG 0.61 0.39 1 134 ASP 0.49 0.49 1 135 GLN 0.25 0.17 1 136 SER 0.29 0.50 1 139 SER -0.07 0.01 1 140 SER -0.07 0.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11251_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.57 _LACS_plot.Line_1_terminator_val_y_1 4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.75 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 TRP 4.68 0.94 0 49 PHE -5.15 0.54 0 85 MET -6.57 6.13 0 123 HIS 2.78 2.33 0 10 PHE 2.10 -0.26 1 11 TYR 2.48 -0.42 1 12 ASP 2.28 0.21 1 13 LYS 3.35 -0.51 1 14 GLN 3.65 -1.22 1 15 LEU 3.98 -1.12 1 16 LYS 4.82 -1.02 1 17 VAL 4.90 -0.77 1 18 LEU 2.17 -0.11 1 19 LEU 1.75 0.35 1 20 SER 3.17 -0.02 1 22 ALA -4.23 3.04 1 23 THR 0.62 0.03 1 24 PHE -6.16 5.44 1 25 LEU -0.20 0.02 1 26 VAL -1.57 1.27 1 27 THR -1.40 0.49 1 28 PHE -0.81 0.78 1 30 ASN 0.18 -0.78 1 31 SER 0.23 0.42 1 32 GLU -0.51 0.37 1 33 LYS -1.62 0.87 1 35 GLU -6.05 4.19 1 36 THR 3.40 -1.40 1 37 MET -6.04 5.46 1 38 THR 0.14 0.12 1 40 ARG -3.77 2.73 1 41 LEU -4.43 3.10 1 42 SER -0.87 0.76 1 43 ASN 4.52 -0.76 1 44 ASN 0.78 -1.81 1 45 GLN 5.65 -3.72 1 46 ARG -0.65 1.55 1 47 TYR -5.85 4.41 1 48 LEU -2.74 1.57 1 50 LEU -1.76 1.31 1 51 ASP -3.70 4.05 1 53 ASP 3.66 -0.42 1 54 SER -2.37 0.82 1 55 HIS -1.86 1.67 1 56 TYR -4.98 3.28 1 57 GLU -4.82 2.67 1 58 ILE -3.99 3.01 1 59 GLU 0.62 -0.27 1 60 ILE 5.31 -2.22 1 61 VAL 3.41 -1.59 1 62 HIS -1.15 1.83 1 63 ILE 2.80 -1.01 1 64 SER -0.20 0.56 1 65 THR -1.89 2.36 1 66 VAL -2.36 1.68 1 67 GLN -4.58 2.99 1 68 ILE 0.11 -0.06 1 69 LEU -1.38 -0.05 1 70 THR -3.88 1.49 1 71 GLU -1.13 0.94 1 73 PHE -0.02 0.26 1 79 ASN -0.29 0.28 1 80 ALA -0.43 0.39 1 81 ARG -1.36 0.55 1 82 ALA -0.51 0.67 1 83 THR -0.89 0.36 1 86 PHE -4.62 3.04 1 87 LEU -4.92 3.73 1 88 GLN -4.63 3.23 1 89 TYR -5.14 3.05 1 90 THR -3.26 1.65 1 91 VAL -1.87 1.41 1 94 THR -2.42 1.74 1 95 GLU -0.85 0.71 1 97 VAL -2.62 1.48 1 98 THR -0.41 0.17 1 99 GLN -4.47 2.86 1 100 LEU -4.63 3.67 1 101 LYS -4.74 3.21 1 102 LEU -2.76 1.09 1 103 THR -1.90 1.77 1 104 VAL 1.25 -0.25 1 105 VAL 0.64 -0.68 1 106 GLU 0.52 0.01 1 107 ASP -0.58 0.66 1 108 VAL 1.05 -0.66 1 109 THR 2.19 -0.08 1 110 VAL 2.39 -0.70 1 112 ARG 3.35 -0.29 1 113 ARG 4.76 -1.00 1 114 GLN 4.19 -1.37 1 115 ALA 2.91 -0.11 1 116 VAL 6.07 -0.76 1 117 ALA 3.89 -1.30 1 119 LEU 3.70 -0.07 1 120 VAL 5.63 -0.93 1 121 ALA 3.49 -0.94 1 122 MET 3.18 -1.73 1 124 LYS 3.07 -0.37 1 125 ALA 1.94 -0.62 1 126 ALA 3.91 -0.85 1 127 LYS 3.64 -1.12 1 128 LEU 2.11 -0.36 1 129 LEU 1.85 -0.04 1 130 TYR 1.30 -0.36 1 131 GLU 0.71 0.17 1 132 SER 0.71 -0.16 1 133 ARG 0.61 -0.22 1 134 ASP 0.49 0.00 1 135 GLN 0.25 -0.08 1 136 SER 0.29 0.21 1 139 SER -0.07 0.08 1 140 SER -0.07 0.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11251_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.57 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 PHE -6.16 0.20 0 36 THR 3.40 0.48 0 50 LEU -1.76 1.11 0 10 PHE 2.10 -0.21 1 11 TYR 2.48 -0.28 1 12 ASP 2.28 -0.29 1 13 LYS 3.35 -0.28 1 14 GLN 3.65 -0.31 1 15 LEU 3.98 -0.55 1 16 LYS 4.82 -0.39 1 17 VAL 4.90 -0.33 1 18 LEU 2.17 -0.10 1 19 LEU 1.75 0.22 1 20 SER 3.17 -0.11 1 22 ALA -4.23 0.03 1 23 THR 0.62 0.41 1 25 LEU -0.20 0.33 1 26 VAL -1.57 0.75 1 27 THR -1.40 0.23 1 28 PHE -0.81 0.15 1 30 ASN 0.18 0.13 1 31 SER 0.23 -0.10 1 32 GLU -0.51 0.01 1 33 LYS -1.62 0.18 1 35 GLU -6.05 0.40 1 37 MET -6.04 0.57 1 38 THR 0.14 0.40 1 40 ARG -3.77 0.72 1 41 LEU -4.43 0.58 1 42 SER -0.87 -0.47 1 43 ASN 4.52 -0.35 1 44 ASN 0.78 -0.12 1 45 GLN 5.65 -0.81 1 46 ARG -0.65 -0.23 1 47 TYR -5.85 0.79 1 48 LEU -2.74 0.59 1 49 PHE -5.15 1.03 1 51 ASP -3.70 1.06 1 53 ASP 3.66 -0.08 1 54 SER -2.37 0.11 1 55 HIS -1.86 0.70 1 56 TYR -4.98 0.16 1 57 GLU -4.82 1.12 1 58 ILE -3.99 0.01 1 59 GLU 0.62 -0.23 1 60 ILE 5.31 -0.64 1 61 VAL 3.41 -0.10 1 62 HIS -1.15 0.17 1 63 ILE 2.80 0.19 1 64 SER -0.20 0.11 1 65 THR -1.89 0.25 1 66 VAL -2.36 0.58 1 67 GLN -4.58 0.57 1 68 ILE 0.11 0.24 1 69 LEU -1.38 0.35 1 70 THR -3.88 0.63 1 71 GLU -1.13 0.01 1 73 PHE -0.02 -0.07 1 79 ASN -0.29 -0.08 1 80 ALA -0.43 -0.18 1 81 ARG -1.36 0.03 1 82 ALA -0.51 0.30 1 83 THR -0.89 0.08 1 85 MET -6.57 0.78 1 86 PHE -4.62 0.84 1 87 LEU -4.92 0.86 1 88 GLN -4.63 1.09 1 89 TYR -5.14 1.03 1 90 THR -3.26 0.29 1 91 VAL -1.87 -0.05 1 94 THR -2.42 0.29 1 95 GLU -0.85 0.00 1 97 VAL -2.62 0.23 1 98 THR -0.41 0.03 1 99 GLN -4.47 0.89 1 100 LEU -4.63 0.55 1 101 LYS -4.74 0.96 1 102 LEU -2.76 0.66 1 103 THR -1.90 0.77 1 104 VAL 1.25 0.07 1 105 VAL 0.64 -0.10 1 106 GLU 0.52 -0.20 1 107 ASP -0.58 -0.05 1 108 VAL 1.05 0.09 1 109 THR 2.19 -0.13 1 110 VAL 2.39 -0.05 1 112 ARG 3.35 -0.14 1 113 ARG 4.76 -0.29 1 114 GLN 4.19 -0.11 1 115 ALA 2.91 -0.42 1 116 VAL 6.07 -0.49 1 117 ALA 3.89 -0.19 1 118 TRP 4.68 -0.80 1 119 LEU 3.70 -0.39 1 120 VAL 5.63 -0.58 1 121 ALA 3.49 -0.21 1 122 MET 3.18 -0.52 1 123 HIS 2.78 -0.63 1 124 LYS 3.07 -0.42 1 125 ALA 1.94 -0.23 1 126 ALA 3.91 -0.60 1 127 LYS 3.64 -0.42 1 128 LEU 2.11 -0.23 1 129 LEU 1.85 -0.23 1 130 TYR 1.30 -0.10 1 131 GLU 0.71 -0.15 1 132 SER 0.71 -0.05 1 133 ARG 0.61 -0.02 1 134 ASP 0.49 -0.05 1 135 GLN 0.25 0.06 1 136 SER 0.29 -0.01 1 139 SER -0.07 0.02 1 140 SER -0.07 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11251_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.57 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.07 _LACS_plot.Line_2_terminator_val_y_2 2.49 _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 45 GLN 5.65 -1.99 0 10 PHE 2.10 0.80 1 11 TYR 2.48 0.70 1 12 ASP 2.28 1.51 1 13 LYS 3.35 2.10 1 14 GLN 3.65 1.68 1 15 LEU 3.98 0.62 1 16 LYS 4.82 3.41 1 17 VAL 4.90 3.07 1 18 LEU 2.17 3.89 1 19 LEU 1.75 1.56 1 20 SER 3.17 1.57 1 22 ALA -4.23 -3.83 1 23 THR 0.62 -2.80 1 24 PHE -6.16 -1.36 1 25 LEU -0.20 -0.43 1 26 VAL -1.57 -0.37 1 27 THR -1.40 -0.62 1 28 PHE -0.81 1.15 1 30 ASN 0.18 0.24 1 31 SER 0.23 0.23 1 32 GLU -0.51 -0.75 1 33 LYS -1.62 -1.50 1 35 GLU -6.05 -0.57 1 36 THR 3.40 0.36 1 37 MET -6.04 -1.43 1 38 THR 0.14 0.21 1 40 ARG -3.77 -3.12 1 41 LEU -4.43 -2.54 1 42 SER -0.87 0.60 1 43 ASN 4.52 1.62 1 44 ASN 0.78 -0.21 1 46 ARG -0.65 0.47 1 47 TYR -5.85 -1.28 1 48 LEU -2.74 -1.99 1 49 PHE -5.15 -0.53 1 50 LEU -1.76 -2.08 1 51 ASP -3.70 -1.25 1 53 ASP 3.66 0.72 1 54 SER -2.37 -3.16 1 55 HIS -1.86 -0.97 1 56 TYR -4.98 -2.00 1 57 GLU -4.82 -1.68 1 58 ILE -3.99 -1.09 1 59 GLU 0.62 0.78 1 60 ILE 5.31 1.90 1 61 VAL 3.41 -0.32 1 62 HIS -1.15 1.95 1 63 ILE 2.80 -0.65 1 64 SER -0.20 0.58 1 65 THR -1.89 -2.80 1 66 VAL -2.36 -1.72 1 67 GLN -4.58 -1.16 1 68 ILE 0.11 -2.20 1 69 LEU -1.38 -1.43 1 70 THR -3.88 0.00 1 71 GLU -1.13 -0.41 1 73 PHE -0.02 -0.99 1 79 ASN -0.29 -0.45 1 80 ALA -0.43 -0.66 1 81 ARG -1.36 -1.27 1 82 ALA -0.51 -0.51 1 83 THR -0.89 0.15 1 85 MET -6.57 -3.74 1 86 PHE -4.62 -1.83 1 87 LEU -4.92 -2.78 1 88 GLN -4.63 -1.10 1 89 TYR -5.14 -3.52 1 90 THR -3.26 -1.59 1 91 VAL -1.87 -0.56 1 94 THR -2.42 -0.89 1 95 GLU -0.85 0.26 1 97 VAL -2.62 -0.61 1 98 THR -0.41 -2.84 1 99 GLN -4.47 -1.94 1 100 LEU -4.63 -4.22 1 101 LYS -4.74 -2.10 1 102 LEU -2.76 -0.85 1 103 THR -1.90 -0.74 1 104 VAL 1.25 -0.49 1 105 VAL 0.64 -0.23 1 106 GLU 0.52 -0.20 1 109 THR 2.19 1.28 1 110 VAL 2.39 0.80 1 112 ARG 3.35 1.13 1 113 ARG 4.76 3.01 1 114 GLN 4.19 1.62 1 115 ALA 2.91 1.73 1 116 VAL 6.07 1.27 1 117 ALA 3.89 2.90 1 118 TRP 4.68 1.34 1 119 LEU 3.70 1.25 1 120 VAL 5.63 2.30 1 121 ALA 3.49 1.48 1 122 MET 3.18 1.26 1 123 HIS 2.78 3.35 1 124 LYS 3.07 2.04 1 125 ALA 1.94 0.86 1 126 ALA 3.91 1.00 1 127 LYS 3.64 1.44 1 128 LEU 2.11 1.48 1 129 LEU 1.85 0.74 1 130 TYR 1.30 1.03 1 131 GLU 0.71 0.49 1 132 SER 0.71 0.24 1 133 ARG 0.61 -0.19 1 134 ASP 0.49 0.13 1 135 GLN 0.25 0.12 1 136 SER 0.29 0.06 1 139 SER -0.07 0.04 1 140 SER -0.07 -0.65 1 stop_ save_