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 bmr4110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 5.05 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 TYR -7.40 -0.95 0 48 PHE -8.63 -1.83 0 16 MET -0.23 4.00 0 10 LEU 0.92 0.43 1 11 SER 0.79 0.68 1 12 ALA 0.50 0.51 1 14 PHE 3.60 3.59 1 15 PHE 5.89 4.63 1 17 GLU 3.87 2.46 1 18 GLU 3.02 2.51 1 19 LEU 3.81 2.55 1 20 ASN 3.80 3.13 1 21 THR 6.24 4.82 1 22 ARG 5.29 3.18 1 23 TYR 4.18 3.77 1 24 GLN 4.97 2.74 1 25 LYS 2.51 2.22 1 26 GLN -0.64 -0.40 1 28 VAL -4.10 -3.15 1 29 VAL 1.62 0.69 1 30 LEU -5.12 -1.35 1 31 LYS -5.16 -1.58 1 32 TYR -0.88 -0.24 1 33 GLN -3.51 -1.48 1 34 GLU -0.30 -0.40 1 35 LEU -0.15 -0.56 1 37 ASN -0.91 0.11 1 38 SER -2.36 -1.01 1 42 HIS -0.28 0.82 1 43 ASP -0.41 -0.96 1 44 ARG -0.01 -0.42 1 45 ARG -3.18 -1.81 1 46 PHE -3.07 -0.47 1 47 THR -1.23 -0.41 1 49 GLN -5.09 -1.16 1 50 VAL 0.35 -0.10 1 51 ILE -2.79 -1.79 1 52 ILE -2.13 -0.86 1 53 ASP 2.65 1.55 1 55 ARG -1.11 -0.56 1 56 GLU -0.86 -0.29 1 57 PHE 2.54 1.89 1 59 GLU -0.33 0.00 1 61 GLU -7.42 -2.80 1 63 ARG 1.99 1.44 1 64 SER -5.23 -2.55 1 65 LYS 6.44 5.24 1 66 LYS 4.49 3.58 1 67 GLU 1.56 2.55 1 68 ALA 2.01 2.89 1 69 LYS 5.47 4.70 1 70 ASN 3.25 3.86 1 71 ALA 3.03 2.55 1 72 ALA 3.38 2.35 1 73 ALA 3.47 2.45 1 74 LYS 3.93 3.63 1 75 LEU 2.74 2.40 1 76 ALA 4.21 2.51 1 77 VAL 5.62 4.61 1 78 GLU 3.49 3.08 1 79 ILE 4.72 3.96 1 80 LEU 3.96 2.88 1 81 ASN 3.19 2.43 1 82 LYS 3.25 2.69 1 83 GLU 1.31 1.08 1 84 LYS 2.14 1.20 1 85 LYS 0.52 0.32 1 86 ALA -0.16 -0.03 1 87 VAL -0.18 -0.21 1 88 SER -0.43 -0.30 1 90 LEU 0.70 0.36 1 91 LEU 0.11 -0.08 1 92 LEU 0.14 0.26 1 93 THR -0.15 -0.11 1 94 THR 0.08 -0.16 1 95 THR 0.20 0.14 1 96 ASN 0.13 0.14 1 97 SER 0.33 0.26 1 98 SER 0.91 0.62 1 99 GLU 0.25 0.38 1 101 LEU 0.23 0.05 1 102 SER 0.45 0.13 1 103 MET 1.35 0.60 1 105 ASN 0.66 -1.09 1 106 TYR 5.38 4.76 1 107 ILE 4.56 3.95 1 109 LEU 3.68 3.01 1 110 ILE 3.84 0.43 1 111 ASN 4.00 3.24 1 112 ARG 4.42 3.69 1 113 ILE 4.76 3.97 1 114 ALA 4.16 3.35 1 115 GLN 4.22 3.11 1 116 LYS 3.72 2.78 1 117 LYS -0.01 0.60 1 118 ARG 5.28 0.82 1 119 LEU -6.30 -2.40 1 120 THR -0.79 -0.39 1 121 VAL -3.19 -1.83 1 122 ASN -5.25 -0.94 1 123 TYR -1.25 -0.40 1 124 GLU -4.02 -1.76 1 125 GLN 1.43 0.29 1 127 ALA 0.70 0.93 1 128 SER -2.10 -1.49 1 130 VAL 3.40 2.30 1 131 HIS -0.63 0.12 1 134 GLU 2.73 2.22 1 136 PHE -3.68 -0.91 1 137 HIS -4.90 -0.86 1 139 LYS -5.12 -2.01 1 141 LYS -3.32 -1.49 1 142 MET -4.33 -1.43 1 144 GLN 0.09 -0.14 1 145 LYS -1.62 -0.52 1 146 GLU -4.75 -2.14 1 147 TYR -0.15 0.42 1 148 SER 0.82 1.70 1 149 ILE 0.41 1.24 1 151 THR -2.11 -0.48 1 153 SER 2.26 2.08 1 154 THR -5.78 -3.10 1 155 LYS 5.68 4.68 1 156 GLN 4.71 3.14 1 157 GLU 1.65 2.65 1 158 ALA 1.09 2.42 1 159 LYS 5.25 4.52 1 160 GLN 4.48 3.32 1 161 LEU 3.41 2.13 1 162 ALA 4.11 3.13 1 163 ALA 3.25 2.53 1 164 LYS 4.15 3.93 1 165 LEU 3.51 2.62 1 166 ALA 3.66 2.57 1 167 TYR 4.16 4.02 1 168 LEU 3.55 2.39 1 169 GLN 4.60 3.47 1 170 ILE 5.22 4.37 1 171 LEU 2.43 1.57 1 172 SER 2.98 2.33 1 173 GLU 0.70 1.09 1 174 GLU 0.40 0.53 1 175 THR 0.57 0.75 1 177 SER 0.18 0.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 5.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 TYR -7.40 6.45 0 48 PHE -8.63 6.80 0 16 MET -0.23 4.23 0 10 LEU 0.92 -0.49 1 11 SER 0.79 -0.11 1 12 ALA 0.50 0.01 1 14 PHE 3.60 -0.01 1 15 PHE 5.89 -1.26 1 17 GLU 3.87 -1.41 1 18 GLU 3.02 -0.51 1 19 LEU 3.81 -1.26 1 20 ASN 3.80 -0.67 1 21 THR 6.24 -1.42 1 22 ARG 5.29 -2.11 1 23 TYR 4.18 -0.41 1 24 GLN 4.97 -2.23 1 25 LYS 2.51 -0.29 1 26 GLN -0.64 0.24 1 28 VAL -4.10 0.95 1 29 VAL 1.62 -0.93 1 30 LEU -5.12 3.77 1 31 LYS -5.16 3.58 1 32 TYR -0.88 0.64 1 33 GLN -3.51 2.03 1 34 GLU -0.30 -0.10 1 35 LEU -0.15 -0.41 1 37 ASN -0.91 1.02 1 38 SER -2.36 1.35 1 42 HIS -0.28 1.10 1 43 ASP -0.41 -0.55 1 44 ARG -0.01 -0.41 1 45 ARG -3.18 1.37 1 46 PHE -3.07 2.60 1 47 THR -1.23 0.82 1 49 GLN -5.09 3.93 1 50 VAL 0.35 -0.45 1 51 ILE -2.79 1.00 1 52 ILE -2.13 1.27 1 53 ASP 2.65 -1.10 1 55 ARG -1.11 0.55 1 56 GLU -0.86 0.57 1 57 PHE 2.54 -0.65 1 59 GLU -0.33 0.33 1 61 GLU -7.42 4.62 1 63 ARG 1.99 -0.55 1 64 SER -5.23 2.68 1 65 LYS 6.44 -1.20 1 66 LYS 4.49 -0.91 1 67 GLU 1.56 0.99 1 68 ALA 2.01 0.88 1 69 LYS 5.47 -0.77 1 70 ASN 3.25 0.61 1 71 ALA 3.03 -0.48 1 72 ALA 3.38 -1.03 1 73 ALA 3.47 -1.02 1 74 LYS 3.93 -0.30 1 75 LEU 2.74 -0.34 1 76 ALA 4.21 -1.70 1 77 VAL 5.62 -1.01 1 78 GLU 3.49 -0.41 1 79 ILE 4.72 -0.76 1 80 LEU 3.96 -1.08 1 81 ASN 3.19 -0.76 1 82 LYS 3.25 -0.56 1 83 GLU 1.31 -0.23 1 84 LYS 2.14 -0.94 1 85 LYS 0.52 -0.20 1 86 ALA -0.16 0.13 1 87 VAL -0.18 -0.03 1 88 SER -0.43 0.13 1 90 LEU 0.70 -0.34 1 91 LEU 0.11 -0.19 1 92 LEU 0.14 0.12 1 93 THR -0.15 0.04 1 94 THR 0.08 -0.24 1 95 THR 0.20 -0.06 1 96 ASN 0.13 0.01 1 97 SER 0.33 -0.07 1 98 SER 0.91 -0.29 1 99 GLU 0.25 0.13 1 101 LEU 0.23 -0.18 1 102 SER 0.45 -0.32 1 103 MET 1.35 -0.75 1 105 ASN 0.66 -1.75 1 106 TYR 5.38 -0.62 1 107 ILE 4.56 -0.61 1 109 LEU 3.68 -0.67 1 110 ILE 3.84 -3.41 1 111 ASN 4.00 -0.76 1 112 ARG 4.42 -0.73 1 113 ILE 4.76 -0.79 1 114 ALA 4.16 -0.81 1 115 GLN 4.22 -1.11 1 116 LYS 3.72 -0.94 1 117 LYS -0.01 0.61 1 118 ARG 5.28 -4.46 1 119 LEU -6.30 3.90 1 120 THR -0.79 0.40 1 121 VAL -3.19 1.36 1 122 ASN -5.25 4.31 1 123 TYR -1.25 0.85 1 124 GLU -4.02 2.26 1 125 GLN 1.43 -1.14 1 127 ALA 0.70 0.23 1 128 SER -2.10 0.61 1 130 VAL 3.40 -1.10 1 131 HIS -0.63 0.75 1 134 GLU 2.73 -0.51 1 136 PHE -3.68 2.77 1 137 HIS -4.90 4.04 1 139 LYS -5.12 3.11 1 141 LYS -3.32 1.83 1 142 MET -4.33 2.90 1 144 GLN 0.09 -0.23 1 145 LYS -1.62 1.10 1 146 GLU -4.75 2.61 1 147 TYR -0.15 0.57 1 148 SER 0.82 0.88 1 149 ILE 0.41 0.83 1 151 THR -2.11 1.63 1 153 SER 2.26 -0.18 1 154 THR -5.78 2.68 1 155 LYS 5.68 -1.00 1 156 GLN 4.71 -1.57 1 157 GLU 1.65 1.00 1 158 ALA 1.09 1.33 1 159 LYS 5.25 -0.73 1 160 GLN 4.48 -1.16 1 161 LEU 3.41 -1.28 1 162 ALA 4.11 -0.98 1 163 ALA 3.25 -0.72 1 164 LYS 4.15 -0.22 1 165 LEU 3.51 -0.89 1 166 ALA 3.66 -1.09 1 167 TYR 4.16 -0.14 1 168 LEU 3.55 -1.16 1 169 GLN 4.60 -1.13 1 170 ILE 5.22 -0.85 1 171 LEU 2.43 -0.86 1 172 SER 2.98 -0.65 1 173 GLU 0.70 0.39 1 174 GLU 0.40 0.13 1 175 THR 0.57 0.18 1 177 SER 0.18 0.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 151 THR -2.11 1.59 0 10 LEU 0.92 -0.05 1 11 SER 0.79 -0.18 1 12 ALA 0.50 -0.04 1 14 PHE 3.60 -0.49 1 15 PHE 5.89 -0.63 1 16 MET -0.23 -0.55 1 17 GLU 3.87 -0.21 1 18 GLU 3.02 -0.36 1 19 LEU 3.81 -0.09 1 20 ASN 3.80 -0.23 1 21 THR 6.24 -0.37 1 22 ARG 5.29 -0.49 1 23 TYR 4.18 -0.39 1 24 GLN 4.97 -0.27 1 25 LYS 2.51 -0.20 1 26 GLN -0.64 -0.10 1 28 VAL -4.10 0.57 1 29 VAL 1.62 -0.05 1 30 LEU -5.12 0.88 1 31 LYS -5.16 0.45 1 32 TYR -0.88 0.33 1 33 GLN -3.51 0.35 1 34 GLU -0.30 -0.82 1 35 LEU -0.15 0.07 1 37 ASN -0.91 0.01 1 38 SER -2.36 0.20 1 42 HIS -0.28 -0.08 1 43 ASP -0.41 0.11 1 44 ARG -0.01 -0.06 1 45 ARG -3.18 0.28 1 46 PHE -3.07 0.23 1 47 THR -1.23 1.15 1 48 PHE -8.63 0.99 1 49 GLN -5.09 0.58 1 50 VAL 0.35 0.18 1 51 ILE -2.79 1.11 1 52 ILE -2.13 0.89 1 53 ASP 2.65 -0.23 1 55 ARG -1.11 -0.03 1 56 GLU -0.86 0.23 1 57 PHE 2.54 -0.27 1 59 GLU -0.33 0.16 1 61 GLU -7.42 1.70 1 63 ARG 1.99 0.26 1 64 SER -5.23 0.23 1 65 LYS 6.44 -0.81 1 66 LYS 4.49 -0.71 1 67 GLU 1.56 -0.24 1 68 ALA 2.01 -0.40 1 69 LYS 5.47 -0.92 1 70 ASN 3.25 -0.34 1 71 ALA 3.03 -0.18 1 72 ALA 3.38 -0.20 1 73 ALA 3.47 -0.29 1 74 LYS 3.93 -1.20 1 75 LEU 2.74 -0.32 1 76 ALA 4.21 -0.32 1 77 VAL 5.62 -0.89 1 78 GLU 3.49 -0.35 1 79 ILE 4.72 -0.39 1 80 LEU 3.96 -0.35 1 81 ASN 3.19 -0.21 1 82 LYS 3.25 -0.14 1 83 GLU 1.31 -0.17 1 84 LYS 2.14 -0.08 1 85 LYS 0.52 -0.02 1 86 ALA -0.16 0.04 1 87 VAL -0.18 0.03 1 88 SER -0.43 0.00 1 90 LEU 0.70 -0.06 1 91 LEU 0.11 0.04 1 92 LEU 0.14 0.09 1 93 THR -0.15 0.09 1 94 THR 0.08 0.10 1 95 THR 0.20 0.01 1 96 ASN 0.13 0.03 1 97 SER 0.33 -0.17 1 98 SER 0.91 -0.02 1 99 GLU 0.25 -0.09 1 101 LEU 0.23 -0.03 1 102 SER 0.45 0.10 1 103 MET 1.35 -0.06 1 105 ASN 0.66 0.00 1 106 TYR 5.38 -0.74 1 107 ILE 4.56 -0.56 1 109 LEU 3.68 -0.36 1 110 ILE 3.84 -0.21 1 111 ASN 4.00 -0.25 1 112 ARG 4.42 -0.19 1 113 ILE 4.76 -0.45 1 114 ALA 4.16 -0.41 1 115 GLN 4.22 -0.16 1 116 LYS 3.72 -0.22 1 117 LYS -0.01 -0.12 1 118 ARG 5.28 -0.41 1 119 LEU -6.30 0.54 1 120 THR -0.79 0.04 1 121 VAL -3.19 0.85 1 122 ASN -5.25 0.25 1 123 TYR -1.25 0.56 1 124 GLU -4.02 0.34 1 125 GLN 1.43 -0.35 1 127 ALA 0.70 -0.02 1 128 SER -2.10 -0.83 1 130 VAL 3.40 -0.35 1 131 HIS -0.63 0.13 1 134 GLU 2.73 -0.27 1 136 PHE -3.68 -0.31 1 137 HIS -4.90 1.16 1 138 TYR -7.40 1.07 1 139 LYS -5.12 0.76 1 141 LYS -3.32 0.94 1 142 MET -4.33 0.72 1 144 GLN 0.09 -0.01 1 145 LYS -1.62 -0.02 1 146 GLU -4.75 0.48 1 147 TYR -0.15 0.08 1 148 SER 0.82 -0.10 1 149 ILE 0.41 0.09 1 153 SER 2.26 0.08 1 154 THR -5.78 0.21 1 155 LYS 5.68 -0.83 1 156 GLN 4.71 -0.57 1 157 GLU 1.65 -0.37 1 158 ALA 1.09 -0.52 1 159 LYS 5.25 -0.91 1 160 GLN 4.48 -0.21 1 161 LEU 3.41 -0.10 1 162 ALA 4.11 -0.21 1 163 ALA 3.25 -0.11 1 164 LYS 4.15 -0.99 1 165 LEU 3.51 -0.35 1 166 ALA 3.66 -0.53 1 167 TYR 4.16 -0.72 1 168 LEU 3.55 -0.48 1 169 GLN 4.60 -0.21 1 170 ILE 5.22 -0.47 1 171 LEU 2.43 -0.43 1 172 SER 2.98 -0.17 1 173 GLU 0.70 -0.09 1 174 GLU 0.40 0.03 1 175 THR 0.57 0.05 1 177 SER 0.18 0.02 1 stop_ save_