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 bmr6801_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 -2.28
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.33
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.67
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 4.61
_LACS_plot.Y_axis_chem_shift_offset -0.58
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
32 PHE -5.47 0.02 0
47 TYR 6.00 5.60 0
77 GLU 5.02 1.20 0
10 VAL 0.30 0.29 1
11 LYS -0.18 -0.16 1
12 THR 0.02 0.52 1
13 GLU -0.61 0.03 1
14 ASN 0.08 0.59 1
15 ASN -0.10 0.01 1
16 ASP -0.10 0.71 1
17 HIS -1.31 1.63 1
18 ILE -4.65 -0.95 1
19 ASN -2.50 -0.66 1
20 LEU -5.59 -1.41 1
21 LYS -2.47 -0.69 1
22 VAL -0.22 -0.30 1
23 ALA -3.49 -1.20 1
25 GLN 3.07 2.68 1
26 ASP 0.44 -0.51 1
28 SER -0.37 0.67 1
29 VAL -2.86 -0.30 1
30 VAL -2.83 -0.88 1
31 GLN -2.21 -0.25 1
33 LYS -1.37 -0.41 1
34 ILE -5.24 -1.54 1
35 LYS 1.75 1.19 1
36 ARG 4.87 4.15 1
37 HIS 0.44 0.45 1
38 THR -0.22 1.42 1
40 LEU 3.19 2.70 1
41 SER 4.57 3.68 1
42 LYS 3.93 3.95 1
43 LEU 2.52 2.62 1
45 LYS 3.93 3.95 1
46 ALA 4.63 2.95 1
49 GLU 3.85 2.96 1
50 ARG 3.69 2.97 1
51 GLN -1.98 -0.61 1
53 LEU -6.78 -1.99 1
54 SER -2.49 -1.45 1
55 MET 2.76 2.98 1
56 ARG 2.88 2.38 1
57 GLN -0.92 0.73 1
58 ILE -4.07 -1.54 1
59 ARG -4.37 -1.69 1
60 PHE -3.34 -1.03 1
61 ARG -4.66 -0.68 1
62 PHE -4.14 -1.35 1
63 ASP 2.75 0.66 1
65 GLN -2.85 -1.23 1
67 ILE -2.31 -0.37 1
68 ASN -3.06 -0.63 1
69 GLU 2.54 3.55 1
70 THR 0.20 0.10 1
71 ASP -0.15 1.25 1
72 THR -2.03 -1.89 1
74 ALA 3.02 2.37 1
75 GLN 3.69 3.25 1
76 LEU -0.33 -0.23 1
78 MET -0.14 1.81 1
79 GLU -6.13 -2.91 1
80 ASP 1.91 3.20 1
81 GLU 5.60 1.98 1
82 ASP 0.80 2.09 1
83 THR -1.38 0.69 1
84 ILE -2.90 -0.37 1
85 ASP -4.19 0.33 1
86 VAL -2.86 -1.47 1
87 PHE -3.38 -1.07 1
88 GLN -1.03 -0.25 1
89 GLN -0.05 0.73 1
90 GLN -0.05 0.73 1
91 THR -0.01 0.76 1
94 VAL 0.07 0.29 1
95 TYR 0.31 1.66 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6801_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 4.50
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.67
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.33
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 -1.39
_LACS_plot.Y_axis_chem_shift_offset -0.58
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
32 PHE -5.47 5.49 0
47 TYR 6.00 -0.40 0
77 GLU 5.02 -3.82 0
10 VAL 0.30 -0.01 1
11 LYS -0.18 0.02 1
12 THR 0.02 0.50 1
13 GLU -0.61 0.64 1
14 ASN 0.08 0.51 1
15 ASN -0.10 0.11 1
16 ASP -0.10 0.81 1
17 HIS -1.31 2.94 1
18 ILE -4.65 3.70 1
19 ASN -2.50 1.84 1
20 LEU -5.59 4.18 1
21 LYS -2.47 1.78 1
22 VAL -0.22 -0.08 1
23 ALA -3.49 2.29 1
25 GLN 3.07 -0.39 1
26 ASP 0.44 -0.95 1
28 SER -0.37 1.04 1
29 VAL -2.86 2.56 1
30 VAL -2.83 1.95 1
31 GLN -2.21 1.96 1
33 LYS -1.37 0.96 1
34 ILE -5.24 3.70 1
35 LYS 1.75 -0.56 1
36 ARG 4.87 -0.72 1
37 HIS 0.44 0.01 1
38 THR -0.22 1.64 1
40 LEU 3.19 -0.49 1
41 SER 4.57 -0.89 1
42 LYS 3.93 0.02 1
43 LEU 2.52 0.10 1
45 LYS 3.93 0.02 1
46 ALA 4.63 -1.68 1
49 GLU 3.85 -0.89 1
50 ARG 3.69 -0.72 1
51 GLN -1.98 1.37 1
53 LEU -6.78 4.79 1
54 SER -2.49 1.04 1
55 MET 2.76 0.22 1
56 ARG 2.88 -0.50 1
57 GLN -0.92 1.65 1
58 ILE -4.07 2.53 1
59 ARG -4.37 2.68 1
60 PHE -3.34 2.31 1
61 ARG -4.66 3.98 1
62 PHE -4.14 2.79 1
63 ASP 2.75 -2.09 1
65 GLN -2.85 1.62 1
67 ILE -2.31 1.94 1
68 ASN -3.06 2.43 1
69 GLU 2.54 1.01 1
70 THR 0.20 -0.10 1
71 ASP -0.15 1.40 1
72 THR -2.03 0.14 1
74 ALA 3.02 -0.65 1
75 GLN 3.69 -0.44 1
76 LEU -0.33 0.10 1
78 MET -0.14 1.95 1
79 GLU -6.13 3.22 1
80 ASP 1.91 1.29 1
81 GLU 5.60 -3.62 1
82 ASP 0.80 1.29 1
83 THR -1.38 2.07 1
84 ILE -2.90 2.53 1
85 ASP -4.19 4.52 1
86 VAL -2.86 1.39 1
87 PHE -3.38 2.31 1
88 GLN -1.03 0.78 1
89 GLN -0.05 0.78 1
90 GLN -0.05 0.78 1
91 THR -0.01 0.77 1
94 VAL 0.07 0.22 1
95 TYR 0.31 1.35 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6801_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 0.78
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.21
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.27
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 -0.69
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
22 VAL -0.22 0.74 0
32 PHE -5.47 0.07 0
53 LEU -6.78 0.31 0
79 GLU -6.13 0.14 0
10 VAL 0.30 -0.06 1
11 LYS -0.18 0.07 1
12 THR 0.02 -0.08 1
13 GLU -0.61 -0.08 1
14 ASN 0.08 -0.09 1
15 ASN -0.10 0.13 1
16 ASP -0.10 -0.02 1
17 HIS -1.31 0.13 1
18 ILE -4.65 0.40 1
19 ASN -2.50 0.68 1
20 LEU -5.59 0.69 1
21 LYS -2.47 0.54 1
23 ALA -3.49 0.90 1
25 GLN 3.07 -0.20 1
26 ASP 0.44 -0.17 1
28 SER -0.37 -0.15 1
29 VAL -2.86 0.83 1
30 VAL -2.83 0.20 1
31 GLN -2.21 0.84 1
34 ILE -5.24 0.66 1
36 ARG 4.87 -0.76 1
37 HIS 0.44 0.01 1
38 THR -0.22 -0.10 1
40 LEU 3.19 -0.62 1
41 SER 4.57 -0.55 1
42 LYS 3.93 -0.39 1
43 LEU 2.52 -0.80 1
45 LYS 3.93 -0.35 1
46 ALA 4.63 -0.11 1
47 TYR 6.00 -0.50 1
49 GLU 3.85 -0.35 1
50 ARG 3.69 -0.30 1
51 GLN -1.98 -0.09 1
54 SER -2.49 0.23 1
55 MET 2.76 -0.18 1
56 ARG 2.88 -0.08 1
57 GLN -0.92 0.09 1
58 ILE -4.07 0.78 1
59 ARG -4.37 0.24 1
60 PHE -3.34 0.67 1
61 ARG -4.66 0.85 1
62 PHE -4.14 0.67 1
63 ASP 2.75 -0.64 1
65 GLN -2.85 0.23 1
67 ILE -2.31 0.21 1
68 ASN -3.06 0.21 1
69 GLU 2.54 -0.62 1
70 THR 0.20 0.08 1
71 ASP -0.15 0.08 1
72 THR -2.03 0.43 1
74 ALA 3.02 -0.30 1
75 GLN 3.69 -0.27 1
76 LEU -0.33 -0.01 1
77 GLU 5.02 -0.60 1
78 MET -0.14 -0.30 1
80 ASP 1.91 -0.16 1
81 GLU 5.60 -0.67 1
82 ASP 0.80 0.22 1
83 THR -1.38 0.81 1
84 ILE -2.90 0.37 1
85 ASP -4.19 0.65 1
86 VAL -2.86 0.55 1
87 PHE -3.38 0.07 1
88 GLN -1.03 0.28 1
89 GLN -0.05 -0.05 1
90 GLN -0.05 0.09 1
91 THR -0.01 0.00 1
94 VAL 0.07 -0.11 1
95 TYR 0.31 -0.20 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6801_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 0.73
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 3.45
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 2.18
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 4.73
_LACS_plot.Y_axis_chem_shift_offset -2.82
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
74 ALA 3.02 6.51 0
81 GLU 5.60 1.96 0
10 VAL 0.30 2.93 1
11 LYS -0.18 3.06 1
12 THR 0.02 2.82 1
14 ASN 0.08 2.68 1
15 ASN -0.10 2.69 1
16 ASP -0.10 2.61 1
17 HIS -1.31 3.65 1
18 ILE -4.65 -0.60 1
19 ASN -2.50 2.51 1
20 LEU -5.59 1.21 1
21 LYS -2.47 1.63 1
22 VAL -0.22 2.15 1
23 ALA -3.49 2.13 1
25 GLN 3.07 2.95 1
26 ASP 0.44 3.54 1
28 SER -0.37 2.88 1
29 VAL -2.86 2.20 1
30 VAL -2.83 1.02 1
31 GLN -2.21 1.81 1
33 LYS -1.37 2.49 1
35 LYS 1.75 4.90 1
36 ARG 4.87 2.59 1
37 HIS 0.44 3.27 1
40 LEU 3.19 2.91 1
41 SER 4.57 4.40 1
42 LYS 3.93 5.47 1
45 LYS 3.93 5.13 1
46 ALA 4.63 5.92 1
47 TYR 6.00 4.11 1
49 GLU 3.85 5.66 1
50 ARG 3.69 4.78 1
51 GLN -1.98 3.21 1
53 LEU -6.78 1.31 1
54 SER -2.49 4.31 1
55 MET 2.76 4.15 1
56 ARG 2.88 4.10 1
57 GLN -0.92 2.17 1
59 ARG -4.37 0.50 1
60 PHE -3.34 3.25 1
61 ARG -4.66 0.52 1
62 PHE -4.14 2.43 1
63 ASP 2.75 2.63 1
67 ILE -2.31 1.69 1
68 ASN -3.06 3.83 1
69 GLU 2.54 2.30 1
70 THR 0.20 3.97 1
71 ASP -0.15 1.81 1
75 GLN 3.69 4.92 1
76 LEU -0.33 0.20 1
77 GLU 5.02 2.48 1
78 MET -0.14 1.89 1
79 GLU -6.13 1.02 1
80 ASP 1.91 4.14 1
82 ASP 0.80 1.30 1
83 THR -1.38 2.43 1
84 ILE -2.90 0.32 1
85 ASP -4.19 1.62 1
86 VAL -2.86 1.57 1
87 PHE -3.38 1.43 1
88 GLN -1.03 2.61 1
89 GLN -0.05 2.47 1
90 GLN -0.05 3.11 1
91 THR -0.01 3.41 1
94 VAL 0.07 1.55 1
stop_
save_