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 bmr15312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.96 _LACS_plot.Line_1_terminator_val_y_1 -1.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.78 _LACS_plot.Line_2_terminator_val_x_2 7.71 _LACS_plot.Line_2_terminator_val_y_2 6.07 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 ILE 5.59 2.13 0 96 LYS 3.80 0.64 0 10 THR 6.16 4.96 1 11 ALA 0.77 2.79 1 12 PHE 5.06 4.85 1 13 LEU 2.46 2.90 1 14 VAL 7.32 5.40 1 15 LEU 4.91 3.82 1 16 TYR 2.90 3.02 1 17 ARG 4.08 4.24 1 18 TRP 3.72 2.64 1 19 ASP 1.06 1.98 1 20 LEU 1.25 2.86 1 21 ARG -0.85 1.17 1 23 GLU -2.96 -1.24 1 24 ASN -0.34 0.84 1 27 GLU 2.30 1.90 1 28 LEU 1.53 2.14 1 29 PHE 4.88 4.24 1 30 LYS 4.20 3.55 1 31 GLU 2.26 2.72 1 32 VAL 6.03 4.59 1 33 VAL 6.02 4.49 1 34 GLU 2.79 2.37 1 35 GLU 1.73 2.76 1 36 LYS 0.77 -0.28 1 37 ASN 2.18 0.56 1 38 ILE 2.01 0.04 1 39 LYS -1.47 -0.69 1 40 ASN -0.27 0.43 1 41 LYS 3.87 3.26 1 42 ASP 5.31 3.18 1 43 ALA 2.91 2.89 1 44 TYR 4.07 4.38 1 45 GLU 2.86 2.72 1 46 TYR 5.17 4.76 1 47 ALA 3.35 2.99 1 48 LYS 4.29 2.95 1 49 LYS 4.10 3.08 1 50 LEU 3.57 3.63 1 51 VAL 6.54 5.33 1 52 ASP 3.84 3.28 1 53 THR 7.05 5.79 1 54 ALA 3.21 2.44 1 55 VAL 5.33 4.18 1 56 ARG 3.39 2.71 1 57 HIS 1.02 -0.31 1 58 ILE 2.04 1.65 1 59 GLU 3.72 3.23 1 60 GLU 1.55 2.65 1 61 ILE 5.93 5.48 1 62 ASP 5.40 3.66 1 63 SER 4.16 3.62 1 64 ILE 5.10 4.97 1 65 ILE 5.64 5.19 1 66 GLU 3.72 3.85 1 67 LYS 3.11 2.34 1 68 HIS -0.58 1.85 1 69 LEU -1.43 -1.10 1 70 LYS 3.54 0.74 1 72 TRP -2.85 -1.50 1 73 SER -2.26 -1.42 1 74 ILE 2.87 3.17 1 75 ASP 1.96 1.10 1 76 ARG -0.09 -0.29 1 77 LEU -2.65 -0.91 1 79 TYR 3.47 5.14 1 80 VAL 7.12 5.30 1 81 GLU 5.59 5.75 1 82 ARG 4.98 4.23 1 83 ASN 4.34 5.07 1 84 ALA 3.22 3.56 1 85 LEU 3.84 3.62 1 86 ARG 2.53 3.48 1 87 LEU 2.83 2.77 1 89 VAL 6.98 5.47 1 90 ALA 5.51 3.66 1 91 GLU 2.76 3.25 1 92 LEU 2.09 2.90 1 93 ILE 3.04 1.66 1 94 PHE 6.17 4.92 1 95 LEU 0.84 -0.33 1 97 SER 0.71 1.94 1 98 LYS 0.22 -0.51 1 99 GLU -1.36 -1.64 1 102 ARG 2.91 1.56 1 103 VAL 6.92 5.43 1 104 PHE 5.54 5.48 1 105 ILE 4.03 3.68 1 106 ASP 4.19 3.46 1 108 VAL 7.71 6.00 1 109 ASP 4.24 3.64 1 110 LEU 3.82 3.10 1 111 VAL 6.26 4.53 1 112 LYS 4.27 3.54 1 113 LYS 2.85 2.52 1 114 TYR 1.15 1.76 1 115 ALA 1.14 -0.02 1 116 ASP -2.12 -1.09 1 117 GLU 3.40 3.23 1 118 LYS 5.05 3.84 1 119 ALA 2.72 2.46 1 121 LYS 3.86 3.46 1 122 PHE 4.09 3.46 1 123 VAL 6.39 5.03 1 124 ASN 3.49 4.40 1 126 VAL 5.08 4.25 1 127 LEU 3.45 2.64 1 128 SER 5.35 4.55 1 129 ALA 3.72 2.90 1 130 ILE 3.63 3.80 1 131 TYR 3.69 4.35 1 132 LYS 4.10 3.35 1 133 ALA 2.85 2.27 1 134 TYR 2.44 2.38 1 135 ILE 2.85 1.44 1 136 THR 2.03 1.81 1 137 SER 0.80 0.89 1 139 LYS 0.53 0.37 1 140 GLU -0.64 -0.10 1 141 GLU -0.83 -0.17 1 142 LYS -0.24 -0.06 1 144 SER 0.40 1.67 1 145 LEU -0.08 0.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.96 _LACS_plot.Line_1_terminator_val_y_1 1.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.22 _LACS_plot.Line_2_terminator_val_x_2 7.71 _LACS_plot.Line_2_terminator_val_y_2 -1.64 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 ILE 5.59 -3.46 0 96 LYS 3.80 -3.16 0 10 THR 6.16 -1.20 1 11 ALA 0.77 2.02 1 12 PHE 5.06 -0.21 1 13 LEU 2.46 0.44 1 14 VAL 7.32 -1.92 1 15 LEU 4.91 -1.09 1 16 TYR 2.90 0.12 1 17 ARG 4.08 0.16 1 18 TRP 3.72 -1.08 1 19 ASP 1.06 0.92 1 20 LEU 1.25 1.61 1 21 ARG -0.85 2.02 1 23 GLU -2.96 1.72 1 24 ASN -0.34 1.18 1 27 GLU 2.30 -0.40 1 28 LEU 1.53 0.61 1 29 PHE 4.88 -0.64 1 30 LYS 4.20 -0.65 1 31 GLU 2.26 0.46 1 32 VAL 6.03 -1.44 1 33 VAL 6.02 -1.53 1 34 GLU 2.79 -0.42 1 35 GLU 1.73 1.03 1 36 LYS 0.77 -1.05 1 37 ASN 2.18 -1.62 1 38 ILE 2.01 -1.97 1 39 LYS -1.47 0.78 1 40 ASN -0.27 0.70 1 41 LYS 3.87 -0.61 1 42 ASP 5.31 -2.13 1 43 ALA 2.91 -0.02 1 44 TYR 4.07 0.31 1 45 GLU 2.86 -0.14 1 46 TYR 5.17 -0.41 1 47 ALA 3.35 -0.36 1 48 LYS 4.29 -1.34 1 49 LYS 4.10 -1.02 1 50 LEU 3.57 0.06 1 51 VAL 6.54 -1.21 1 52 ASP 3.84 -0.56 1 53 THR 7.05 -1.26 1 54 ALA 3.21 -0.77 1 55 VAL 5.33 -1.15 1 56 ARG 3.39 -0.68 1 57 HIS 1.02 -1.33 1 58 ILE 2.04 -0.39 1 59 GLU 3.72 -0.49 1 60 GLU 1.55 1.10 1 61 ILE 5.93 -0.45 1 62 ASP 5.40 -1.74 1 63 SER 4.16 -0.54 1 64 ILE 5.10 -0.13 1 65 ILE 5.64 -0.45 1 66 GLU 3.72 0.13 1 67 LYS 3.11 -0.77 1 68 HIS -0.58 2.43 1 69 LEU -1.43 0.33 1 70 LYS 3.54 -2.80 1 72 TRP -2.85 1.35 1 73 SER -2.26 0.84 1 74 ILE 2.87 0.30 1 75 ASP 1.96 -0.86 1 76 ARG -0.09 -0.20 1 77 LEU -2.65 1.74 1 79 TYR 3.47 1.67 1 80 VAL 7.12 -1.82 1 81 GLU 5.59 0.16 1 82 ARG 4.98 -0.75 1 83 ASN 4.34 0.73 1 84 ALA 3.22 0.34 1 85 LEU 3.84 -0.22 1 86 ARG 2.53 0.95 1 87 LEU 2.83 -0.06 1 89 VAL 6.98 -1.51 1 90 ALA 5.51 -1.85 1 91 GLU 2.76 0.49 1 92 LEU 2.09 0.81 1 93 ILE 3.04 -1.38 1 94 PHE 6.17 -1.25 1 95 LEU 0.84 -1.17 1 97 SER 0.71 1.23 1 98 LYS 0.22 -0.73 1 99 GLU -1.36 -0.28 1 102 ARG 2.91 -1.35 1 103 VAL 6.92 -1.49 1 104 PHE 5.54 -0.06 1 105 ILE 4.03 -0.35 1 106 ASP 4.19 -0.73 1 108 VAL 7.71 -1.71 1 109 ASP 4.24 -0.60 1 110 LEU 3.82 -0.72 1 111 VAL 6.26 -1.73 1 112 LYS 4.27 -0.73 1 113 LYS 2.85 -0.33 1 114 TYR 1.15 0.61 1 115 ALA 1.14 -1.16 1 116 ASP -2.12 1.03 1 117 GLU 3.40 -0.17 1 118 LYS 5.05 -1.21 1 119 ALA 2.72 -0.26 1 121 LYS 3.86 -0.40 1 122 PHE 4.09 -0.63 1 123 VAL 6.39 -1.36 1 124 ASN 3.49 0.91 1 126 VAL 5.08 -0.83 1 127 LEU 3.45 -0.81 1 128 SER 5.35 -0.80 1 129 ALA 3.72 -0.82 1 130 ILE 3.63 0.17 1 131 TYR 3.69 0.66 1 132 LYS 4.10 -0.75 1 133 ALA 2.85 -0.58 1 134 TYR 2.44 -0.06 1 135 ILE 2.85 -1.41 1 136 THR 2.03 -0.22 1 137 SER 0.80 0.09 1 139 LYS 0.53 -0.16 1 140 GLU -0.64 0.54 1 141 GLU -0.83 0.66 1 142 LYS -0.24 0.18 1 144 SER 0.40 1.27 1 145 LEU -0.08 0.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.96 _LACS_plot.Line_1_terminator_val_y_1 0.15 _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 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.71 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 48 LYS 4.29 -1.34 0 130 ILE 3.63 -1.37 0 10 THR 6.16 -0.70 1 11 ALA 0.77 -0.48 1 12 PHE 5.06 -0.72 1 13 LEU 2.46 -0.75 1 14 VAL 7.32 -0.77 1 15 LEU 4.91 -0.17 1 16 TYR 2.90 -0.41 1 17 ARG 4.08 -0.60 1 18 TRP 3.72 -0.42 1 19 ASP 1.06 -0.66 1 20 LEU 1.25 -0.62 1 21 ARG -0.85 0.03 1 23 GLU -2.96 0.04 1 24 ASN -0.34 -0.27 1 27 GLU 2.30 -0.10 1 28 LEU 1.53 -0.24 1 29 PHE 4.88 -0.59 1 30 LYS 4.20 -0.52 1 31 GLU 2.26 -0.27 1 32 VAL 6.03 -0.53 1 33 VAL 6.02 -0.64 1 34 GLU 2.79 -0.15 1 35 GLU 1.73 -0.33 1 36 LYS 0.77 -0.07 1 37 ASN 2.18 -0.37 1 38 ILE 2.01 -0.13 1 39 LYS -1.47 0.14 1 40 ASN -0.27 -0.04 1 41 LYS 3.87 -0.32 1 42 ASP 5.31 -0.28 1 43 ALA 2.91 -0.13 1 44 TYR 4.07 -0.55 1 45 GLU 2.86 -0.35 1 46 TYR 5.17 -0.22 1 47 ALA 3.35 -0.31 1 49 LYS 4.10 -0.28 1 50 LEU 3.57 -0.72 1 51 VAL 6.54 -0.89 1 52 ASP 3.84 -0.59 1 53 THR 7.05 -0.56 1 54 ALA 3.21 -0.58 1 55 VAL 5.33 -0.73 1 56 ARG 3.39 -0.40 1 57 HIS 1.02 0.17 1 58 ILE 2.04 -0.06 1 59 GLU 3.72 -0.11 1 60 GLU 1.55 -0.15 1 61 ILE 5.93 -0.54 1 62 ASP 5.40 -0.18 1 63 SER 4.16 -0.09 1 64 ILE 5.10 -0.36 1 65 ILE 5.64 -0.56 1 66 GLU 3.72 -0.44 1 67 LYS 3.11 -0.21 1 68 HIS -0.58 -0.09 1 69 LEU -1.43 0.25 1 70 LYS 3.54 -0.31 1 72 TRP -2.85 0.20 1 73 SER -2.26 0.28 1 74 ILE 2.87 -0.32 1 75 ASP 1.96 -0.32 1 76 ARG -0.09 -0.23 1 77 LEU -2.65 -0.07 1 79 TYR 3.47 -0.57 1 80 VAL 7.12 -0.05 1 81 GLU 5.59 -0.58 1 82 ARG 4.98 -0.42 1 83 ASN 4.34 0.00 1 84 ALA 3.22 0.01 1 85 LEU 3.84 -0.40 1 86 ARG 2.53 -0.49 1 87 LEU 2.83 -0.42 1 89 VAL 6.98 -0.68 1 90 ALA 5.51 -0.25 1 91 GLU 2.76 -0.35 1 92 LEU 2.09 -0.44 1 93 ILE 3.04 -0.52 1 94 PHE 6.17 -0.55 1 95 LEU 0.84 0.23 1 96 LYS 3.80 -0.45 1 97 SER 0.71 -0.36 1 98 LYS 0.22 0.29 1 99 GLU -1.36 0.39 1 102 ARG 2.91 -0.28 1 103 VAL 6.92 -0.89 1 104 PHE 5.54 -0.91 1 105 ILE 4.03 -0.52 1 106 ASP 4.19 -0.22 1 107 ILE 5.59 -0.34 1 108 VAL 7.71 -0.70 1 109 ASP 4.24 -0.26 1 110 LEU 3.82 -0.36 1 111 VAL 6.26 -0.88 1 112 LYS 4.27 -0.70 1 113 LYS 2.85 -0.48 1 114 TYR 1.15 0.00 1 115 ALA 1.14 0.43 1 116 ASP -2.12 0.22 1 117 GLU 3.40 -0.35 1 118 LYS 5.05 -0.23 1 119 ALA 2.72 0.21 1 121 LYS 3.86 -0.14 1 122 PHE 4.09 -0.24 1 123 VAL 6.39 -0.82 1 124 ASN 3.49 -0.53 1 126 VAL 5.08 -0.36 1 127 LEU 3.45 -0.42 1 128 SER 5.35 -0.10 1 129 ALA 3.72 -0.18 1 131 TYR 3.69 -0.26 1 132 LYS 4.10 -0.36 1 133 ALA 2.85 -0.16 1 134 TYR 2.44 -0.20 1 135 ILE 2.85 -0.53 1 136 THR 2.03 -0.15 1 141 GLU -0.83 -0.04 1 142 LYS -0.24 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.96 _LACS_plot.Line_1_terminator_val_y_1 -0.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 7.71 _LACS_plot.Line_2_terminator_val_y_2 1.99 _LACS_plot.Y_axis_chem_shift_offset -0.76 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 GLU -2.96 -2.98 0 115 ALA 1.14 -4.19 0 10 THR 6.16 0.24 1 11 ALA 0.77 0.77 1 12 PHE 5.06 -0.21 1 13 LEU 2.46 2.05 1 14 VAL 7.32 0.69 1 15 LEU 4.91 0.26 1 16 TYR 2.90 0.97 1 17 ARG 4.08 1.75 1 18 TRP 3.72 2.49 1 19 ASP 1.06 1.96 1 20 LEU 1.25 1.65 1 21 ARG -0.85 2.11 1 27 GLU 2.30 3.14 1 28 LEU 1.53 1.12 1 29 PHE 4.88 -0.02 1 30 LYS 4.20 2.20 1 31 GLU 2.26 2.43 1 32 VAL 6.03 1.24 1 33 VAL 6.02 2.36 1 34 GLU 2.79 2.68 1 35 GLU 1.73 2.19 1 36 LYS 0.77 -0.66 1 37 ASN 2.18 4.47 1 40 ASN -0.27 0.04 1 41 LYS 3.87 1.05 1 42 ASP 5.31 2.79 1 43 ALA 2.91 1.49 1 44 TYR 4.07 1.06 1 45 GLU 2.86 3.34 1 46 TYR 5.17 1.14 1 47 ALA 3.35 0.84 1 48 LYS 4.29 0.67 1 49 LYS 4.10 3.68 1 50 LEU 3.57 0.62 1 51 VAL 6.54 0.40 1 52 ASP 3.84 2.98 1 53 THR 7.05 0.42 1 54 ALA 3.21 -0.20 1 55 VAL 5.33 -1.87 1 56 ARG 3.39 1.67 1 57 HIS 1.02 1.94 1 58 ILE 2.04 -1.58 1 59 GLU 3.72 3.59 1 60 GLU 1.55 2.86 1 61 ILE 5.93 0.80 1 62 ASP 5.40 2.66 1 63 SER 4.16 2.85 1 64 ILE 5.10 1.71 1 65 ILE 5.64 2.24 1 66 GLU 3.72 2.10 1 67 LYS 3.11 1.00 1 68 HIS -0.58 0.10 1 69 LEU -1.43 -0.33 1 70 LYS 3.54 -0.29 1 72 TRP -2.85 -0.57 1 73 SER -2.26 2.19 1 74 ILE 2.87 0.42 1 75 ASP 1.96 0.13 1 76 ARG -0.09 1.08 1 77 LEU -2.65 -0.32 1 79 TYR 3.47 4.59 1 80 VAL 7.12 0.88 1 81 GLU 5.59 1.87 1 82 ARG 4.98 0.73 1 83 ASN 4.34 1.31 1 84 ALA 3.22 1.72 1 85 LEU 3.84 0.81 1 86 ARG 2.53 1.46 1 87 LEU 2.83 0.74 1 89 VAL 6.98 2.50 1 90 ALA 5.51 0.84 1 91 GLU 2.76 1.10 1 92 LEU 2.09 0.19 1 93 ILE 3.04 0.37 1 94 PHE 6.17 1.98 1 95 LEU 0.84 -0.88 1 96 LYS 3.80 -0.52 1 97 SER 0.71 2.69 1 98 LYS 0.22 -1.01 1 102 ARG 2.91 1.50 1 103 VAL 6.92 1.33 1 104 PHE 5.54 2.51 1 105 ILE 4.03 1.70 1 106 ASP 4.19 3.56 1 107 ILE 5.59 1.18 1 108 VAL 7.71 1.35 1 109 ASP 4.24 3.18 1 110 LEU 3.82 0.78 1 111 VAL 6.26 1.30 1 112 LYS 4.27 0.65 1 113 LYS 2.85 1.85 1 114 TYR 1.15 -0.49 1 116 ASP -2.12 -0.14 1 117 GLU 3.40 2.05 1 118 LYS 5.05 3.14 1 119 ALA 2.72 2.65 1 121 LYS 3.86 3.17 1 122 PHE 4.09 2.23 1 123 VAL 6.39 0.20 1 124 ASN 3.49 3.28 1 126 VAL 5.08 1.43 1 127 LEU 3.45 1.35 1 128 SER 5.35 1.32 1 129 ALA 3.72 2.97 1 130 ILE 3.63 3.54 1 131 TYR 3.69 1.02 1 132 LYS 4.10 2.60 1 133 ALA 2.85 1.63 1 134 TYR 2.44 2.90 1 135 ILE 2.85 1.63 1 136 THR 2.03 0.45 1 139 LYS 0.53 -0.11 1 141 GLU -0.83 -0.57 1 stop_ save_