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 bmr6829_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.53
_LACS_plot.Line_1_terminator_val_y_1 -2.38
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.36
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.67
_LACS_plot.Line_2_terminator_val_x_2 5.34
_LACS_plot.Line_2_terminator_val_y_2 3.30
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
70 SER 5.34 4.27 0
11 SER -0.94 0.04 1
12 LEU -4.05 -1.16 1
13 GLU -4.59 -1.75 1
14 VAL -3.54 -1.59 1
15 LYS -3.22 -1.44 1
16 VAL -3.48 -1.89 1
17 ASN -2.74 -1.04 1
18 ASP -4.40 -1.22 1
19 TRP 1.11 -1.08 1
21 SER 0.23 -0.06 1
23 ALA -6.53 -1.91 1
24 GLU -3.60 -2.38 1
25 TYR -2.31 -1.34 1
26 ASP -1.79 -1.36 1
27 VAL -0.31 -0.64 1
28 THR -1.07 0.32 1
29 LEU -2.29 -2.24 1
30 ASN -1.08 -0.46 1
31 LEU -3.92 -1.73 1
32 ASP 0.38 -0.59 1
34 GLN -1.22 -0.93 1
35 TYR -6.38 -1.04 1
36 ASP 1.20 -0.62 1
37 TRP -5.28 -2.83 1
38 THR -1.86 0.52 1
39 VAL -3.06 -1.33 1
40 LYS -2.23 -1.04 1
41 VAL -3.12 -1.41 1
42 LYS -3.02 -1.28 1
43 LEU -0.82 -0.49 1
44 ALA 0.92 0.22 1
47 ALA -3.97 -1.66 1
48 THR -4.70 -1.94 1
49 VAL 1.94 1.11 1
51 SER -0.53 0.24 1
52 PHE -2.64 -0.50 1
53 TRP -1.80 -1.35 1
54 SER 3.45 0.82 1
55 ALA -5.33 -1.58 1
56 ASN -2.20 -0.77 1
57 LYS -2.82 -1.32 1
58 GLN -4.37 -1.38 1
59 GLU -3.10 -0.80 1
61 ASN 1.87 0.49 1
63 TYR -4.30 -1.36 1
64 VAL -1.48 -0.82 1
65 ILE -2.59 -1.17 1
66 PHE -3.95 -1.42 1
67 THR -1.95 -1.88 1
69 VAL -0.03 -1.47 1
71 TRP -2.34 -2.80 1
72 ASN -3.56 -2.33 1
73 LYS 2.09 1.94 1
76 THR -0.04 -0.56 1
77 ALA -4.71 -1.54 1
78 THR -4.71 -2.71 1
79 PHE -1.40 -1.11 1
81 PHE -3.08 -1.85 1
82 ILE -4.17 -2.21 1
83 VAL -4.70 -2.55 1
84 ASN -3.65 -0.92 1
87 GLN 2.51 1.79 1
89 ASP 2.25 1.38 1
90 LYS 1.32 0.99 1
91 VAL -4.09 -1.55 1
92 GLU -1.10 0.38 1
93 GLU -4.77 -0.66 1
94 ILE -1.75 0.26 1
95 THR -3.96 -1.42 1
96 LEU -3.82 -1.40 1
97 GLU -5.53 -2.16 1
98 ILE -2.04 -0.56 1
99 ASN 1.85 0.70 1
101 GLN -2.41 -1.25 1
102 VAL 1.33 0.67 1
103 ILE 0.82 0.80 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6829_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.53
_LACS_plot.Line_1_terminator_val_y_1 4.15
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.63
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.33
_LACS_plot.Line_2_terminator_val_x_2 5.34
_LACS_plot.Line_2_terminator_val_y_2 -2.04
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
70 SER 5.34 -1.07 0
11 SER -0.94 0.98 1
12 LEU -4.05 2.89 1
13 GLU -4.59 2.84 1
14 VAL -3.54 1.95 1
15 LYS -3.22 1.78 1
16 VAL -3.48 1.59 1
17 ASN -2.74 1.70 1
18 ASP -4.40 3.18 1
19 TRP 1.11 -2.19 1
21 SER 0.23 -0.29 1
23 ALA -6.53 4.62 1
24 GLU -3.60 1.22 1
25 TYR -2.31 0.97 1
26 ASP -1.79 0.43 1
27 VAL -0.31 -0.33 1
28 THR -1.07 1.39 1
29 LEU -2.29 0.05 1
30 ASN -1.08 0.62 1
31 LEU -3.92 2.19 1
32 ASP 0.38 -0.97 1
34 GLN -1.22 0.29 1
35 TYR -6.38 5.34 1
36 ASP 1.20 -1.82 1
37 TRP -5.28 2.45 1
38 THR -1.86 2.38 1
39 VAL -3.06 1.73 1
40 LYS -2.23 1.19 1
41 VAL -3.12 1.71 1
42 LYS -3.02 1.74 1
43 LEU -0.82 0.33 1
44 ALA 0.92 -0.70 1
47 ALA -3.97 2.31 1
48 THR -4.70 2.76 1
49 VAL 1.94 -0.83 1
51 SER -0.53 0.77 1
52 PHE -2.64 2.14 1
53 TRP -1.80 0.45 1
54 SER 3.45 -2.63 1
55 ALA -5.33 3.75 1
56 ASN -2.20 1.43 1
57 LYS -2.82 1.50 1
58 GLN -4.37 2.99 1
59 GLU -3.10 2.30 1
61 ASN 1.87 -1.38 1
63 TYR -4.30 2.94 1
64 VAL -1.48 0.66 1
65 ILE -2.59 1.42 1
66 PHE -3.95 2.53 1
67 THR -1.95 0.07 1
69 VAL -0.03 -1.44 1
71 TRP -2.34 -0.46 1
72 ASN -3.56 1.23 1
73 LYS 2.09 -0.15 1
76 THR -0.04 -0.52 1
77 ALA -4.71 3.17 1
78 THR -4.71 2.00 1
79 PHE -1.40 0.29 1
81 PHE -3.08 1.23 1
82 ILE -4.17 1.96 1
83 VAL -4.70 2.15 1
84 ASN -3.65 2.73 1
87 GLN 2.51 -0.72 1
89 ASP 2.25 -0.87 1
90 LYS 1.32 -0.33 1
91 VAL -4.09 2.54 1
92 GLU -1.10 1.48 1
93 GLU -4.77 4.11 1
94 ILE -1.75 2.01 1
95 THR -3.96 2.54 1
96 LEU -3.82 2.42 1
97 GLU -5.53 3.37 1
98 ILE -2.04 1.48 1
99 ASN 1.85 -1.15 1
101 GLN -2.41 1.16 1
102 VAL 1.33 -0.66 1
103 ILE 0.82 -0.02 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6829_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.53
_LACS_plot.Line_1_terminator_val_y_1 0.71
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.31
_LACS_plot.Line_2_terminator_val_x_2 5.34
_LACS_plot.Line_2_terminator_val_y_2 -0.43
_LACS_plot.Y_axis_chem_shift_offset -0.11
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
23 ALA -6.53 -0.44 0
11 SER -0.94 0.09 1
12 LEU -4.05 0.59 1
13 GLU -4.59 0.29 1
14 VAL -3.54 0.65 1
15 LYS -3.22 0.30 1
16 VAL -3.48 0.35 1
17 ASN -2.74 0.14 1
18 ASP -4.40 -0.02 1
19 TRP 1.11 0.48 1
21 SER 0.23 0.19 1
24 GLU -3.60 0.55 1
25 TYR -2.31 -0.21 1
26 ASP -1.79 0.43 1
27 VAL -0.31 0.29 1
28 THR -1.07 0.54 1
29 LEU -2.29 0.59 1
30 ASN -1.08 0.47 1
31 LEU -3.92 0.56 1
32 ASP 0.38 0.08 1
34 GLN -1.22 0.28 1
35 TYR -6.38 0.23 1
36 ASP 1.20 -0.07 1
37 TRP -5.28 -0.03 1
38 THR -1.86 0.69 1
39 VAL -3.06 1.14 1
40 LYS -2.23 0.62 1
41 VAL -3.12 0.64 1
42 LYS -3.02 0.20 1
43 LEU -0.82 0.02 1
44 ALA 0.92 -0.20 1
47 ALA -3.97 1.14 1
48 THR -4.70 0.24 1
49 VAL 1.94 0.37 1
51 SER -0.53 0.29 1
52 PHE -2.64 0.39 1
53 TRP -1.80 0.43 1
54 SER 3.45 -0.44 1
55 ALA -5.33 0.26 1
56 ASN -2.20 0.29 1
57 LYS -2.82 0.15 1
58 GLN -4.37 0.11 1
59 GLU -3.10 0.32 1
61 ASN 1.87 -0.23 1
63 TYR -4.30 0.58 1
64 VAL -1.48 0.09 1
65 ILE -2.59 0.47 1
66 PHE -3.95 1.06 1
67 THR -1.95 -0.28 1
69 VAL -0.03 0.09 1
70 SER 5.34 -0.59 1
71 TRP -2.34 0.16 1
72 ASN -3.56 0.98 1
73 LYS 2.09 0.10 1
76 THR -0.04 1.05 1
77 ALA -4.71 0.73 1
78 THR -4.71 1.35 1
79 PHE -1.40 0.25 1
81 PHE -3.08 -0.04 1
82 ILE -4.17 1.12 1
83 VAL -4.70 0.87 1
84 ASN -3.65 0.74 1
87 GLN 2.51 -0.34 1
89 ASP 2.25 -0.26 1
90 LYS 1.32 -0.34 1
91 VAL -4.09 0.08 1
92 GLU -1.10 -0.06 1
93 GLU -4.77 0.26 1
94 ILE -1.75 0.80 1
95 THR -3.96 0.31 1
96 LEU -3.82 0.72 1
97 GLU -5.53 0.70 1
98 ILE -2.04 0.05 1
99 ASN 1.85 -0.23 1
101 GLN -2.41 0.12 1
102 VAL 1.33 0.10 1
103 ILE 0.82 -0.12 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6829_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.53
_LACS_plot.Line_1_terminator_val_y_1 -2.29
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.65
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.41
_LACS_plot.Line_2_terminator_val_x_2 5.34
_LACS_plot.Line_2_terminator_val_y_2 -0.07
_LACS_plot.Y_axis_chem_shift_offset 1.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
103 ILE 0.82 4.38 0
11 SER -0.94 -2.80 1
12 LEU -4.05 -2.54 1
13 GLU -4.59 -2.26 1
14 VAL -3.54 -1.91 1
15 LYS -3.22 -2.07 1
16 VAL -3.48 -1.21 1
17 ASN -2.74 -2.96 1
18 ASP -4.40 -0.88 1
19 TRP 1.11 0.10 1
21 SER 0.23 -0.72 1
23 ALA -6.53 -3.71 1
24 GLU -3.60 -2.85 1
25 TYR -2.31 -2.86 1
26 ASP -1.79 -1.47 1
27 VAL -0.31 -1.63 1
28 THR -1.07 -2.34 1
29 LEU -2.29 -2.72 1
30 ASN -1.08 -1.30 1
31 LEU -3.92 -0.67 1
32 ASP 0.38 -0.28 1
34 GLN -1.22 -0.38 1
35 TYR -6.38 -1.50 1
36 ASP 1.20 -1.18 1
37 TRP -5.28 -1.69 1
38 THR -1.86 -1.04 1
39 VAL -3.06 -1.98 1
40 LYS -2.23 -1.31 1
41 VAL -3.12 -2.00 1
42 LYS -3.02 -0.87 1
43 LEU -0.82 -1.53 1
44 ALA 0.92 -1.09 1
47 ALA -3.97 -0.84 1
48 THR -4.70 -1.28 1
49 VAL 1.94 0.19 1
51 SER -0.53 -2.72 1
52 PHE -2.64 -2.43 1
53 TRP -1.80 -2.19 1
54 SER 3.45 -3.29 1
55 ALA -5.33 -2.39 1
56 ASN -2.20 -1.82 1
57 LYS -2.82 -1.64 1
58 GLN -4.37 -2.08 1
59 GLU -3.10 -0.91 1
61 ASN 1.87 -0.77 1
63 TYR -4.30 -1.31 1
64 VAL -1.48 -2.98 1
65 ILE -2.59 -1.32 1
66 PHE -3.95 -1.08 1
67 THR -1.95 -1.73 1
69 VAL -0.03 2.47 1
70 SER 5.34 2.03 1
71 TRP -2.34 0.33 1
72 ASN -3.56 -0.14 1
73 LYS 2.09 -1.68 1
76 THR -0.04 -0.44 1
77 ALA -4.71 -2.08 1
78 THR -4.71 -0.40 1
79 PHE -1.40 -4.96 1
81 PHE -3.08 -3.58 1
82 ILE -4.17 -0.20 1
83 VAL -4.70 -1.79 1
84 ASN -3.65 -0.48 1
87 GLN 2.51 0.11 1
89 ASP 2.25 2.93 1
90 LYS 1.32 -1.90 1
91 VAL -4.09 -1.05 1
92 GLU -1.10 -0.47 1
93 GLU -4.77 -2.80 1
94 ILE -1.75 -1.96 1
95 THR -3.96 -2.66 1
96 LEU -3.82 -3.57 1
97 GLU -5.53 -1.17 1
98 ILE -2.04 -0.66 1
99 ASN 1.85 0.19 1
101 GLN -2.41 -1.17 1
102 VAL 1.33 -0.75 1
stop_
save_