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 bmr6820_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 -3.83
_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 -1.51
_LACS_plot.Line_2_terminator_val_x_2 6.39
_LACS_plot.Line_2_terminator_val_y_2 5.06
_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
40 ASP 0.17 -2.03 0
46 THR -6.88 -3.23 0
82 THR -7.15 -3.50 0
10 VAL 1.02 0.72 1
11 VAL 0.75 0.70 1
12 SER 0.43 0.25 1
13 ALA 0.30 0.40 1
14 ARG 0.52 0.32 1
15 ARG 0.63 0.50 1
16 ASP 0.19 0.12 1
17 GLN 0.63 0.50 1
18 LYS 0.75 0.40 1
19 LYS 0.55 0.35 1
21 ARG 0.05 0.09 1
22 VAL 0.11 0.06 1
24 LEU -1.97 -0.50 1
25 THR -2.50 -1.20 1
26 GLU 4.06 3.05 1
27 GLU 4.30 3.50 1
28 GLN 2.91 2.93 1
29 LYS 5.50 4.65 1
30 GLN 4.65 2.90 1
31 GLU 3.30 3.00 1
32 ILE 5.30 4.20 1
33 ARG 4.64 2.60 1
34 GLU 3.50 2.80 1
35 ALA 4.06 2.46 1
36 PHE 4.55 4.35 1
37 ASP 4.01 2.91 1
38 LEU 2.83 2.10 1
39 PHE 0.40 -0.30 1
41 THR 3.95 3.05 1
42 ASP -0.40 -1.55 1
44 SER 0.83 1.75 1
47 ILE -1.45 -1.45 1
48 ASP -3.19 -2.34 1
49 ALA 4.03 3.53 1
50 LYS 4.62 3.50 1
51 GLU 1.32 1.70 1
52 LEU 2.81 2.03 1
53 LYS 5.23 4.45 1
54 VAL 4.85 4.05 1
55 ALA 3.85 2.30 1
56 MET 3.92 3.25 1
57 ARG 3.94 2.90 1
58 ALA 3.09 2.29 1
59 LEU -0.34 -0.18 1
61 PHE -2.08 -1.16 1
62 GLU -1.68 -0.73 1
64 LYS -1.25 -0.58 1
65 LYS 4.45 3.77 1
66 GLU 3.55 2.70 1
67 GLU 1.95 1.90 1
68 ILE 4.66 2.40 1
69 LYS 4.60 3.60 1
70 LYS 3.70 3.00 1
71 MET 3.85 3.55 1
72 ILE 6.12 4.75 1
73 SER 4.15 3.30 1
74 GLU 1.30 1.80 1
75 ILE -0.19 0.10 1
76 ASP 0.14 -0.80 1
77 LYS 1.44 1.40 1
78 ASP -1.01 -1.81 1
80 SER 0.73 1.78 1
83 ILE -1.90 -1.95 1
84 ASP -1.96 -1.51 1
85 PHE 5.68 4.55 1
86 GLU 4.58 3.40 1
87 GLU 2.35 2.05 1
88 PHE 2.91 3.80 1
89 LEU 4.63 3.50 1
90 THR 6.40 5.00 1
91 MET 3.98 3.60 1
92 MET 1.83 0.66 1
93 THR 1.42 1.42 1
94 ALA 0.71 0.96 1
95 LYS -0.30 -0.43 1
96 MET 0.73 1.93 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6820_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 3.32
_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 0.49
_LACS_plot.Line_2_terminator_val_x_2 6.39
_LACS_plot.Line_2_terminator_val_y_2 -1.33
_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
40 ASP 0.17 -2.20 0
46 THR -6.88 3.65 0
82 THR -7.15 3.65 0
10 VAL 1.02 -0.30 1
11 VAL 0.75 -0.05 1
12 SER 0.43 -0.18 1
13 ALA 0.30 0.10 1
14 ARG 0.52 -0.20 1
15 ARG 0.63 -0.13 1
16 ASP 0.19 -0.07 1
17 GLN 0.63 -0.13 1
18 LYS 0.75 -0.35 1
19 LYS 0.55 -0.20 1
21 ARG 0.05 0.04 1
22 VAL 0.11 -0.05 1
24 LEU -1.97 1.47 1
25 THR -2.50 1.30 1
26 GLU 4.06 -1.01 1
27 GLU 4.30 -0.80 1
28 GLN 2.91 0.02 1
29 LYS 5.50 -0.85 1
30 GLN 4.65 -1.75 1
31 GLU 3.30 -0.30 1
32 ILE 5.30 -1.10 1
33 ARG 4.64 -2.04 1
34 GLU 3.50 -0.70 1
35 ALA 4.06 -1.60 1
36 PHE 4.55 -0.20 1
37 ASP 4.01 -1.10 1
38 LEU 2.83 -0.73 1
39 PHE 0.40 -0.70 1
41 THR 3.95 -0.90 1
42 ASP -0.40 -1.15 1
44 SER 0.83 0.92 1
47 ILE -1.45 0.00 1
48 ASP -3.19 0.85 1
49 ALA 4.03 -0.50 1
50 LYS 4.62 -1.12 1
51 GLU 1.32 0.38 1
52 LEU 2.81 -0.78 1
53 LYS 5.23 -0.78 1
54 VAL 4.85 -0.80 1
55 ALA 3.85 -1.55 1
56 MET 3.92 -0.67 1
57 ARG 3.94 -1.04 1
58 ALA 3.09 -0.80 1
59 LEU -0.34 0.16 1
61 PHE -2.08 0.92 1
62 GLU -1.68 0.95 1
64 LYS -1.25 0.67 1
65 LYS 4.45 -0.68 1
66 GLU 3.55 -0.85 1
67 GLU 1.95 -0.05 1
68 ILE 4.66 -2.26 1
69 LYS 4.60 -1.00 1
70 LYS 3.70 -0.70 1
71 MET 3.85 -0.30 1
72 ILE 6.12 -1.37 1
73 SER 4.15 -0.85 1
74 GLU 1.30 0.50 1
75 ILE -0.19 0.29 1
76 ASP 0.14 -0.94 1
77 LYS 1.44 -0.04 1
78 ASP -1.01 -0.80 1
80 SER 0.73 1.05 1
83 ILE -1.90 -0.05 1
84 ASP -1.96 0.45 1
85 PHE 5.68 -1.13 1
86 GLU 4.58 -1.18 1
87 GLU 2.35 -0.30 1
88 PHE 2.91 0.89 1
89 LEU 4.63 -1.13 1
90 THR 6.40 -1.40 1
91 MET 3.98 -0.38 1
92 MET 1.83 -1.17 1
93 THR 1.42 0.00 1
94 ALA 0.71 0.25 1
95 LYS -0.30 -0.13 1
96 MET 0.73 1.20 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6820_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 0.61
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.20
_LACS_plot.Line_2_terminator_val_x_2 6.39
_LACS_plot.Line_2_terminator_val_y_2 -0.53
_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
36 PHE 4.55 -1.44 0
10 VAL 1.02 0.02 1
11 VAL 0.75 0.08 1
12 SER 0.43 -0.05 1
13 ALA 0.30 0.05 1
14 ARG 0.52 0.00 1
15 ARG 0.63 0.00 1
16 ASP 0.19 -0.02 1
17 GLN 0.63 -0.01 1
18 LYS 0.75 0.00 1
19 LYS 0.55 0.02 1
21 ARG 0.05 0.06 1
22 VAL 0.11 0.06 1
24 LEU -1.97 0.31 1
25 THR -2.50 0.20 1
26 GLU 4.06 -0.29 1
27 GLU 4.30 -0.24 1
28 GLN 2.91 -0.16 1
29 LYS 5.50 -0.42 1
30 GLN 4.65 -0.21 1
31 GLU 3.30 -0.19 1
32 ILE 5.30 -0.18 1
33 ARG 4.64 -0.16 1
34 GLU 3.50 -0.23 1
35 ALA 4.06 -0.34 1
37 ASP 4.01 -0.36 1
38 LEU 2.83 -0.36 1
39 PHE 0.40 0.01 1
40 ASP 0.17 -0.07 1
41 THR 3.95 -0.29 1
42 ASP -0.40 0.15 1
44 SER 0.83 -0.21 1
46 THR -6.88 0.72 1
47 ILE -1.45 0.77 1
48 ASP -3.19 0.20 1
49 ALA 4.03 -0.41 1
50 LYS 4.62 -0.24 1
51 GLU 1.32 -0.24 1
52 LEU 2.81 -0.44 1
53 LYS 5.23 -0.54 1
54 VAL 4.85 -0.50 1
55 ALA 3.85 -0.96 1
56 MET 3.92 -0.36 1
57 ARG 3.94 0.16 1
58 ALA 3.09 -0.08 1
59 LEU -0.34 0.02 1
61 PHE -2.08 0.17 1
62 GLU -1.68 0.07 1
64 LYS -1.25 0.16 1
65 LYS 4.45 -0.30 1
66 GLU 3.55 -0.21 1
67 GLU 1.95 -0.17 1
68 ILE 4.66 -0.40 1
69 LYS 4.60 -0.38 1
70 LYS 3.70 -0.24 1
71 MET 3.85 -0.35 1
72 ILE 6.12 -0.68 1
73 SER 4.15 -0.19 1
74 GLU 1.30 -0.19 1
75 ILE -0.19 0.10 1
76 ASP 0.14 -0.02 1
77 LYS 1.44 -0.05 1
78 ASP -1.01 0.15 1
80 SER 0.73 -0.21 1
82 THR -7.15 0.35 1
83 ILE -1.90 0.95 1
84 ASP -1.96 0.59 1
85 PHE 5.68 -1.12 1
86 GLU 4.58 -0.68 1
87 GLU 2.35 -0.24 1
88 PHE 2.91 -0.62 1
89 LEU 4.63 -0.69 1
90 THR 6.40 -0.56 1
91 MET 3.98 -0.51 1
92 MET 1.83 -0.17 1
93 THR 1.42 -0.05 1
94 ALA 0.71 0.06 1
95 LYS -0.30 0.12 1
96 MET 0.73 -0.22 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6820_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 -2.04
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.18
_LACS_plot.Line_2_terminator_val_x_2 6.39
_LACS_plot.Line_2_terminator_val_y_2 2.50
_LACS_plot.Y_axis_chem_shift_offset -0.45
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
46 THR -6.88 -1.92 0
82 THR -7.15 -1.92 0
51 GLU 1.32 4.18 0
13 ALA 0.30 -0.21 1
15 ARG 0.63 -0.26 1
16 ASP 0.19 -0.08 1
17 GLN 0.63 0.08 1
18 LYS 0.75 0.05 1
19 LYS 0.55 0.41 1
21 ARG 0.05 0.09 1
22 VAL 0.11 0.02 1
24 LEU -1.97 0.54 1
25 THR -2.50 0.99 1
26 GLU 4.06 2.70 1
27 GLU 4.30 2.86 1
28 GLN 2.91 3.16 1
29 LYS 5.50 2.05 1
30 GLN 4.65 2.19 1
31 GLU 3.30 3.33 1
32 ILE 5.30 1.62 1
33 ARG 4.64 1.22 1
34 GLU 3.50 2.83 1
35 ALA 4.06 -0.33 1
36 PHE 4.55 0.60 1
37 ASP 4.01 1.90 1
38 LEU 2.83 1.33 1
39 PHE 0.40 1.13 1
40 ASP 0.17 1.06 1
41 THR 3.95 1.61 1
42 ASP -0.40 1.46 1
44 SER 0.83 1.41 1
47 ILE -1.45 -0.98 1
48 ASP -3.19 -0.85 1
49 ALA 4.03 2.24 1
50 LYS 4.62 3.10 1
52 LEU 2.81 0.87 1
53 LYS 5.23 1.65 1
54 VAL 4.85 1.92 1
55 ALA 3.85 0.96 1
56 MET 3.92 0.75 1
57 ARG 3.94 3.86 1
58 ALA 3.09 1.28 1
59 LEU -0.34 -0.83 1
61 PHE -2.08 -1.30 1
65 LYS 4.45 2.13 1
66 GLU 3.55 1.03 1
67 GLU 1.95 2.27 1
68 ILE 4.66 2.11 1
69 LYS 4.60 2.70 1
70 LYS 3.70 1.85 1
71 MET 3.85 2.20 1
72 ILE 6.12 0.96 1
73 SER 4.15 1.33 1
74 GLU 1.30 1.22 1
75 ILE -0.19 0.35 1
76 ASP 0.14 0.73 1
77 LYS 1.44 0.76 1
78 ASP -1.01 1.25 1
80 SER 0.73 1.40 1
83 ILE -1.90 -0.75 1
84 ASP -1.96 -0.61 1
85 PHE 5.68 0.47 1
86 GLU 4.58 3.78 1
87 GLU 2.35 2.32 1
88 PHE 2.91 1.05 1
89 LEU 4.63 2.33 1
90 THR 6.40 1.19 1
91 MET 3.98 1.54 1
92 MET 1.83 2.07 1
93 THR 1.42 0.69 1
94 ALA 0.71 0.23 1
95 LYS -0.30 -0.87 1
stop_
save_