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 bmr6745_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.20
_LACS_plot.Line_1_terminator_val_y_1 -5.11
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.93
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -4.17
_LACS_plot.Line_2_terminator_val_x_2 6.76
_LACS_plot.Line_2_terminator_val_y_2 2.74
_LACS_plot.Y_axis_chem_shift_offset 2.60
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
83 ILE -1.22 -5.68 0
31 LEU -0.35 -5.57 0
11 PHE -1.03 -4.22 1
12 VAL -4.87 -3.96 1
13 VAL -5.61 -5.88 1
14 LYS -5.18 -4.66 1
15 LEU -4.34 -4.57 1
16 ARG -4.63 -3.09 1
18 LEU 1.54 -2.06 1
20 TRP 1.93 -1.77 1
21 SER -0.16 -3.83 1
23 SER -5.36 -4.49 1
24 VAL 6.51 2.65 1
25 GLU 4.63 1.07 1
26 ASP 3.40 1.07 1
27 VAL 6.76 2.59 1
28 GLN 4.11 1.34 1
29 ASN 2.77 -0.20 1
30 PHE 2.88 0.86 1
32 SER 3.82 0.61 1
33 ASP 1.04 -2.02 1
35 THR 2.13 -1.37 1
36 ILE 0.48 -2.42 1
37 HIS 2.06 -0.45 1
38 ASP 3.14 -1.61 1
40 ALA 2.73 -0.13 1
41 ALA 1.49 -1.81 1
43 VAL 0.69 -2.80 1
44 HIS -2.96 -5.13 1
45 PHE 2.80 -0.40 1
46 ILE 0.07 -3.99 1
47 TYR -2.50 -2.88 1
49 ARG 3.74 -0.08 1
50 GLU 0.43 -2.44 1
53 GLN 3.95 -0.02 1
54 SER -0.96 -1.56 1
56 GLU -7.20 -5.28 1
57 ALA -5.19 -3.87 1
58 PHE -4.16 -2.96 1
59 VAL -3.31 -4.05 1
60 GLU -3.05 -3.24 1
61 LEU -3.87 -4.47 1
63 SER -4.30 -3.54 1
64 GLU 3.08 -0.08 1
65 ASP 4.29 0.83 1
66 ASP 0.63 1.19 1
67 VAL 6.28 2.12 1
68 LYS 4.84 1.49 1
69 MET 2.80 -0.09 1
70 ALA 3.22 0.10 1
71 LEU 3.68 -0.11 1
72 LYS 2.62 -0.77 1
73 LYS 0.78 -3.71 1
74 ASP 1.91 0.47 1
75 ARG 6.60 0.27 1
77 SER -1.89 -2.68 1
78 MET -2.20 -2.62 1
81 ARG -2.56 -4.22 1
84 GLU -5.22 -4.32 1
85 VAL -2.59 -3.64 1
86 PHE -5.29 -4.90 1
87 LYS 2.73 -0.03 1
88 SER -3.63 -5.58 1
89 HIS -2.89 -1.61 1
91 THR 6.12 2.17 1
92 GLU 3.36 0.10 1
93 MET 3.60 2.36 1
94 ASP 3.43 0.58 1
95 TRP 4.48 1.58 1
96 VAL 5.79 2.10 1
97 LEU 4.07 0.29 1
98 LYS 1.57 -1.38 1
99 HIS 2.11 -1.31 1
108 ALA 0.44 -2.08 1
109 ASN 0.22 -2.30 1
112 PHE -0.68 -0.92 1
114 ARG -6.10 -4.69 1
115 LEU -4.47 -4.82 1
116 ARG -4.07 -2.78 1
120 PHE 3.18 -0.51 1
130 PHE 3.54 0.60 1
132 SER 2.97 -0.14 1
136 ILE -1.36 -2.84 1
139 ASN 2.90 -1.12 1
142 THR 0.02 -1.94 1
143 LEU -2.75 -3.98 1
145 VAL -4.79 -5.16 1
146 ASP 0.28 -2.38 1
152 THR 0.76 -1.76 1
155 ALA -6.22 -3.98 1
158 GLN -1.41 -4.54 1
160 ALA 1.89 -1.15 1
163 GLU 4.15 0.70 1
165 ALA 3.39 -0.44 1
167 LYS 3.85 0.38 1
168 ALA 2.04 -0.18 1
175 ARG -3.41 -2.69 1
176 ILE 0.17 -1.13 1
184 PHE -5.95 -5.02 1
185 LYS 2.60 -0.61 1
187 SER -3.09 -3.55 1
191 VAL 3.84 -0.51 1
192 ARG 0.60 -2.14 1
194 TYR 1.64 -0.26 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6745_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.20
_LACS_plot.Line_1_terminator_val_y_1 2.09
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.93
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.17
_LACS_plot.Line_2_terminator_val_x_2 6.76
_LACS_plot.Line_2_terminator_val_y_2 -4.02
_LACS_plot.Y_axis_chem_shift_offset 2.60
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
83 ILE -1.22 -4.46 0
31 LEU -0.35 -5.22 0
11 PHE -1.03 -3.19 1
12 VAL -4.87 0.91 1
13 VAL -5.61 -0.27 1
14 LYS -5.18 0.52 1
15 LEU -4.34 -0.23 1
16 ARG -4.63 1.54 1
18 LEU 1.54 -3.60 1
20 TRP 1.93 -3.70 1
21 SER -0.16 -3.67 1
23 SER -5.36 0.87 1
24 VAL 6.51 -3.86 1
25 GLU 4.63 -3.56 1
26 ASP 3.40 -2.33 1
27 VAL 6.76 -4.17 1
28 GLN 4.11 -2.77 1
29 ASN 2.77 -2.97 1
30 PHE 2.88 -2.02 1
32 SER 3.82 -3.21 1
33 ASP 1.04 -3.06 1
35 THR 2.13 -3.50 1
36 ILE 0.48 -2.90 1
37 HIS 2.06 -2.51 1
38 ASP 3.14 -4.75 1
40 ALA 2.73 -2.86 1
41 ALA 1.49 -3.30 1
43 VAL 0.69 -3.49 1
44 HIS -2.96 -2.17 1
45 PHE 2.80 -3.20 1
46 ILE 0.07 -4.06 1
47 TYR -2.50 -0.38 1
49 ARG 3.74 -3.82 1
50 GLU 0.43 -2.87 1
53 GLN 3.95 -3.97 1
54 SER -0.96 -0.60 1
56 GLU -7.20 1.92 1
57 ALA -5.19 1.32 1
58 PHE -4.16 1.20 1
59 VAL -3.31 -0.74 1
60 GLU -3.05 -0.19 1
61 LEU -3.87 -0.60 1
63 SER -4.30 0.76 1
64 GLU 3.08 -3.16 1
65 ASP 4.29 -3.46 1
66 ASP 0.63 0.56 1
67 VAL 6.28 -4.16 1
68 LYS 4.84 -3.35 1
69 MET 2.80 -2.89 1
70 ALA 3.22 -3.12 1
71 LEU 3.68 -3.79 1
72 LYS 2.62 -3.39 1
73 LYS 0.78 -4.49 1
74 ASP 1.91 -1.44 1
75 ARG 6.60 -6.33 1
77 SER -1.89 -0.79 1
78 MET -2.20 -0.42 1
81 ARG -2.56 -1.66 1
84 GLU -5.22 0.90 1
85 VAL -2.59 -1.05 1
86 PHE -5.29 0.39 1
87 LYS 2.73 -2.76 1
88 SER -3.63 -1.95 1
89 HIS -2.89 1.28 1
91 THR 6.12 -3.95 1
92 GLU 3.36 -3.26 1
93 MET 3.60 -1.24 1
94 ASP 3.43 -2.85 1
95 TRP 4.48 -2.90 1
96 VAL 5.79 -3.69 1
97 LEU 4.07 -3.78 1
98 LYS 1.57 -2.95 1
99 HIS 2.11 -3.42 1
108 ALA 0.44 -2.52 1
109 ASN 0.22 -2.52 1
112 PHE -0.68 -0.24 1
114 ARG -6.10 1.41 1
115 LEU -4.47 -0.35 1
116 ARG -4.07 1.29 1
120 PHE 3.18 -3.69 1
130 PHE 3.54 -2.94 1
132 SER 2.97 -3.11 1
136 ILE -1.36 -1.48 1
139 ASN 2.90 -4.02 1
142 THR 0.02 -1.96 1
143 LEU -2.75 -1.23 1
145 VAL -4.79 -0.37 1
146 ASP 0.28 -2.66 1
152 THR 0.76 -2.52 1
155 ALA -6.22 2.24 1
158 GLN -1.41 -3.13 1
160 ALA 1.89 -3.04 1
163 GLU 4.15 -3.45 1
165 ALA 3.39 -3.83 1
167 LYS 3.85 -3.47 1
168 ALA 2.04 -2.22 1
175 ARG -3.41 0.72 1
176 ILE 0.17 -1.30 1
184 PHE -5.95 0.93 1
185 LYS 2.60 -3.21 1
187 SER -3.09 -0.46 1
191 VAL 3.84 -4.35 1
192 ARG 0.60 -2.74 1
194 TYR 1.64 -1.90 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6745_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.20
_LACS_plot.Line_1_terminator_val_y_1 1.05
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.36
_LACS_plot.Line_2_terminator_val_x_2 6.76
_LACS_plot.Line_2_terminator_val_y_2 -0.71
_LACS_plot.Y_axis_chem_shift_offset -0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
63 SER -4.30 -0.51 0
191 VAL 3.84 -1.69 0
11 PHE -1.03 0.27 1
12 VAL -4.87 1.12 1
13 VAL -5.61 1.06 1
14 LYS -5.18 0.77 1
15 LEU -4.34 1.33 1
16 ARG -4.63 0.79 1
18 LEU 1.54 -0.64 1
20 TRP 1.93 -0.21 1
21 SER -0.16 -0.31 1
23 SER -5.36 0.59 1
24 VAL 6.51 -0.32 1
25 GLU 4.63 -0.16 1
26 ASP 3.40 -0.15 1
27 VAL 6.76 -0.65 1
28 GLN 4.11 -0.55 1
29 ASN 2.77 -0.23 1
30 PHE 2.88 -0.15 1
31 LEU -0.35 0.17 1
32 SER 3.82 -0.28 1
33 ASP 1.04 -0.01 1
35 THR 2.13 -0.05 1
36 ILE 0.48 0.13 1
37 HIS 2.06 -0.48 1
38 ASP 3.14 -0.53 1
40 ALA 2.73 -0.53 1
41 ALA 1.49 -0.07 1
43 VAL 0.69 0.04 1
44 HIS -2.96 0.39 1
45 PHE 2.80 -0.08 1
46 ILE 0.07 0.37 1
47 TYR -2.50 0.74 1
49 ARG 3.74 -0.23 1
50 GLU 0.43 0.06 1
53 GLN 3.95 -0.41 1
54 SER -0.96 -0.14 1
56 GLU -7.20 1.33 1
57 ALA -5.19 0.77 1
58 PHE -4.16 0.89 1
59 VAL -3.31 1.03 1
60 GLU -3.05 0.58 1
61 LEU -3.87 1.01 1
64 GLU 3.08 -0.62 1
65 ASP 4.29 -0.24 1
66 ASP 0.63 -0.06 1
67 VAL 6.28 -0.73 1
68 LYS 4.84 -0.39 1
69 MET 2.80 -0.27 1
70 ALA 3.22 -0.45 1
71 LEU 3.68 -0.44 1
72 LYS 2.62 -0.08 1
73 LYS 0.78 -0.11 1
74 ASP 1.91 -0.20 1
75 ARG 6.60 -0.67 1
77 SER -1.89 0.68 1
78 MET -2.20 0.03 1
81 ARG -2.56 0.17 1
83 ILE -1.22 0.40 1
84 GLU -5.22 0.49 1
85 VAL -2.59 0.71 1
86 PHE -5.29 0.34 1
87 LYS 2.73 -0.02 1
88 SER -3.63 0.30 1
89 HIS -2.89 0.10 1
91 THR 6.12 -0.24 1
92 GLU 3.36 -0.19 1
93 MET 3.60 -0.63 1
94 ASP 3.43 -0.40 1
95 TRP 4.48 -0.37 1
96 VAL 5.79 -0.41 1
97 LEU 4.07 -0.19 1
98 LYS 1.57 -0.10 1
99 HIS 2.11 -0.11 1
108 ALA 0.44 0.11 1
109 ASN 0.22 0.19 1
112 PHE -0.68 0.86 1
114 ARG -6.10 1.03 1
115 LEU -4.47 1.50 1
116 ARG -4.07 0.63 1
120 PHE 3.18 -0.32 1
130 PHE 3.54 -0.38 1
132 SER 2.97 -0.24 1
136 ILE -1.36 -0.16 1
139 ASN 2.90 -0.16 1
142 THR 0.02 0.21 1
143 LEU -2.75 0.50 1
145 VAL -4.79 0.84 1
146 ASP 0.28 -0.05 1
152 THR 0.76 0.14 1
155 ALA -6.22 0.68 1
158 GLN -1.41 -0.19 1
160 ALA 1.89 -0.38 1
163 GLU 4.15 -0.28 1
165 ALA 3.39 -0.89 1
167 LYS 3.85 -0.28 1
168 ALA 2.04 -0.57 1
175 ARG -3.41 0.90 1
176 ILE 0.17 -0.16 1
184 PHE -5.95 0.44 1
185 LYS 2.60 0.03 1
187 SER -3.09 0.69 1
192 ARG 0.60 -0.09 1
194 TYR 1.64 -0.19 1
stop_
save_