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 bmr6400_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -4.80
_LACS_plot.Line_1_terminator_val_y_1 -2.78
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.99
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.48
_LACS_plot.Line_2_terminator_val_x_2 8.96
_LACS_plot.Line_2_terminator_val_y_2 6.76
_LACS_plot.Y_axis_chem_shift_offset 0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
82 TYR 7.21 2.78 0
10 ARG 4.39 3.39 1
11 TYR 3.51 2.88 1
12 VAL 6.46 4.56 1
13 GLU 3.79 2.90 1
14 GLN 4.98 3.29 1
15 LEU 2.94 2.47 1
16 LYS 5.20 4.18 1
17 GLN 4.30 2.56 1
18 ALA 3.15 2.47 1
19 LEU 4.86 2.92 1
20 LYS 4.85 3.52 1
21 THR 4.67 3.75 1
22 ARG 0.32 -0.86 1
24 VAL -0.26 -0.50 1
25 LYS 0.58 -0.42 1
26 VAL -4.37 -2.82 1
27 LYS -0.12 -0.62 1
28 TYR 5.13 4.73 1
29 ALA 2.95 2.55 1
30 ASP 3.14 2.51 1
31 LEU 2.40 1.92 1
32 LEU 4.21 3.52 1
33 LYS 4.09 3.01 1
34 PHE 4.91 3.32 1
35 PHE 8.96 6.66 1
36 ASP 4.95 3.39 1
37 PHE 5.06 3.62 1
38 VAL 6.75 4.85 1
39 LYS 4.32 2.67 1
40 ASP 2.58 2.50 1
41 THR 2.15 2.18 1
44 TRP -2.42 -1.75 1
47 GLN 0.57 0.56 1
48 GLU -0.11 0.05 1
50 THR -0.24 -0.09 1
51 ILE 2.04 1.65 1
52 ASP -4.80 -1.96 1
53 ILE 2.01 1.43 1
54 LYS 5.69 4.11 1
55 ARG 4.37 4.16 1
56 TRP 1.14 1.98 1
57 ARG 5.58 4.49 1
58 ARG 4.93 3.69 1
59 VAL 5.64 3.97 1
61 ASP 4.30 2.92 1
63 PHE 3.08 0.48 1
64 GLN 4.42 3.50 1
65 ASP 3.37 3.43 1
66 TYR 4.03 3.77 1
67 TYR 3.42 3.68 1
68 ASN 3.32 2.46 1
69 THR 4.23 3.70 1
70 PHE 0.59 1.33 1
73 GLU 2.95 1.93 1
74 LYS -1.54 -1.19 1
75 VAL -2.17 -1.17 1
77 VAL 4.34 3.01 1
78 THR 1.56 0.40 1
79 ALA 4.44 3.23 1
80 PHE 5.82 4.14 1
81 SER 3.80 3.36 1
83 TRP 7.47 6.44 1
84 ASN 3.35 3.93 1
85 LEU 2.91 2.79 1
86 ILE 4.67 2.15 1
87 LYS 5.65 3.70 1
88 GLU 2.93 2.14 1
89 LEU 2.73 2.38 1
90 ILE 2.14 1.35 1
91 ASP 0.52 0.52 1
92 LYS 0.37 -0.20 1
93 LYS 0.71 0.16 1
94 GLU -0.48 -0.27 1
95 VAL 0.11 -0.14 1
96 ASN -0.37 -0.23 1
98 GLN 0.14 0.12 1
99 VAL 0.40 0.05 1
100 MET 0.79 1.53 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6400_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -4.80
_LACS_plot.Line_1_terminator_val_y_1 2.02
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.00
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.52
_LACS_plot.Line_2_terminator_val_x_2 8.96
_LACS_plot.Line_2_terminator_val_y_2 -2.20
_LACS_plot.Y_axis_chem_shift_offset 0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
82 TYR 7.21 -4.43 0
10 ARG 4.39 -1.00 1
11 TYR 3.51 -0.63 1
12 VAL 6.46 -1.90 1
13 GLU 3.79 -0.89 1
14 GLN 4.98 -1.69 1
15 LEU 2.94 -0.47 1
16 LYS 5.20 -1.02 1
17 GLN 4.30 -1.74 1
18 ALA 3.15 -0.68 1
19 LEU 4.86 -1.94 1
20 LYS 4.85 -1.33 1
21 THR 4.67 -0.92 1
22 ARG 0.32 -1.18 1
24 VAL -0.26 -0.24 1
25 LYS 0.58 -1.00 1
26 VAL -4.37 1.55 1
27 LYS -0.12 -0.50 1
28 TYR 5.13 -0.40 1
29 ALA 2.95 -0.40 1
30 ASP 3.14 -0.63 1
31 LEU 2.40 -0.48 1
32 LEU 4.21 -0.69 1
33 LYS 4.09 -1.08 1
34 PHE 4.91 -1.59 1
35 PHE 8.96 -2.30 1
36 ASP 4.95 -1.56 1
37 PHE 5.06 -1.44 1
38 VAL 6.75 -1.90 1
39 LYS 4.32 -1.65 1
40 ASP 2.58 -0.08 1
41 THR 2.15 0.03 1
44 TRP -2.42 0.67 1
47 GLN 0.57 -0.01 1
48 GLU -0.11 0.16 1
50 THR -0.24 0.15 1
51 ILE 2.04 -0.39 1
52 ASP -4.80 2.84 1
53 ILE 2.01 -0.58 1
54 LYS 5.69 -1.58 1
55 ARG 4.37 -0.21 1
56 TRP 1.14 0.84 1
57 ARG 5.58 -1.09 1
58 ARG 4.93 -1.24 1
59 VAL 5.64 -1.67 1
61 ASP 4.30 -1.38 1
63 PHE 3.08 -2.60 1
64 GLN 4.42 -0.92 1
65 ASP 3.37 0.06 1
66 TYR 4.03 -0.26 1
67 TYR 3.42 0.26 1
68 ASN 3.32 -0.86 1
69 THR 4.23 -0.53 1
70 PHE 0.59 0.74 1
73 GLU 2.95 -1.02 1
74 LYS -1.54 0.35 1
75 VAL -2.17 1.00 1
77 VAL 4.34 -1.33 1
78 THR 1.56 -1.16 1
79 ALA 4.44 -1.21 1
80 PHE 5.82 -1.68 1
81 SER 3.80 -0.44 1
83 TRP 7.47 -1.03 1
84 ASN 3.35 0.58 1
85 LEU 2.91 -0.12 1
86 ILE 4.67 -2.52 1
87 LYS 5.65 -1.95 1
88 GLU 2.93 -0.79 1
89 LEU 2.73 -0.35 1
90 ILE 2.14 -0.79 1
91 ASP 0.52 0.00 1
92 LYS 0.37 -0.57 1
93 LYS 0.71 -0.55 1
94 GLU -0.48 0.21 1
95 VAL 0.11 -0.25 1
96 ASN -0.37 0.14 1
98 GLN 0.14 -0.02 1
99 VAL 0.40 -0.35 1
100 MET 0.79 0.74 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6400_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -4.80
_LACS_plot.Line_1_terminator_val_y_1 0.14
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.01
_LACS_plot.Line_2_terminator_val_x_2 8.96
_LACS_plot.Line_2_terminator_val_y_2 -0.63
_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
38 VAL 6.75 0.18 0
44 TRP -2.42 -0.69 0
10 ARG 4.39 -0.40 1
11 TYR 3.51 -0.47 1
12 VAL 6.46 -1.05 1
13 GLU 3.79 -0.22 1
14 GLN 4.98 -0.43 1
15 LEU 2.94 -0.46 1
16 LYS 5.20 -0.73 1
17 GLN 4.30 -0.36 1
18 ALA 3.15 -0.24 1
19 LEU 4.86 -0.52 1
20 LYS 4.85 -0.32 1
21 THR 4.67 -0.32 1
22 ARG 0.32 0.02 1
24 VAL -0.26 -0.14 1
25 LYS 0.58 -0.11 1
26 VAL -4.37 0.29 1
27 LYS -0.12 0.10 1
28 TYR 5.13 -0.80 1
29 ALA 2.95 -0.51 1
30 ASP 3.14 -0.18 1
31 LEU 2.40 -0.35 1
32 LEU 4.21 -0.38 1
33 LYS 4.09 -0.18 1
34 PHE 4.91 -0.30 1
35 PHE 8.96 -0.74 1
36 ASP 4.95 -0.05 1
37 PHE 5.06 -0.32 1
39 LYS 4.32 -0.57 1
40 ASP 2.58 -0.47 1
41 THR 2.15 -0.57 1
47 GLN 0.57 -0.11 1
48 GLU -0.11 -0.39 1
50 THR -0.24 -0.18 1
51 ILE 2.04 -0.11 1
52 ASP -4.80 0.24 1
53 ILE 2.01 -0.07 1
54 LYS 5.69 -0.21 1
55 ARG 4.37 0.02 1
56 TRP 1.14 0.04 1
57 ARG 5.58 0.00 1
58 ARG 4.93 -0.17 1
59 VAL 5.64 -0.51 1
61 ASP 4.30 -0.43 1
63 PHE 3.08 -0.38 1
64 GLN 4.42 -0.21 1
65 ASP 3.37 -0.09 1
66 TYR 4.03 -0.16 1
67 TYR 3.42 -0.59 1
68 ASN 3.32 -0.36 1
69 THR 4.23 -0.55 1
70 PHE 0.59 -0.15 1
73 GLU 2.95 -0.32 1
74 LYS -1.54 0.01 1
75 VAL -2.17 -0.21 1
77 VAL 4.34 -0.22 1
78 THR 1.56 -0.39 1
79 ALA 4.44 -0.29 1
80 PHE 5.82 -0.19 1
81 SER 3.80 -0.11 1
82 TYR 7.21 -0.57 1
83 TRP 7.47 -0.37 1
84 ASN 3.35 -0.60 1
85 LEU 2.91 -0.40 1
86 ILE 4.67 -0.79 1
87 LYS 5.65 -0.99 1
88 GLU 2.93 -0.47 1
89 LEU 2.73 -0.44 1
90 ILE 2.14 -0.18 1
91 ASP 0.52 -0.14 1
92 LYS 0.37 -0.09 1
93 LYS 0.71 -0.12 1
94 GLU -0.48 -0.11 1
95 VAL 0.11 -0.10 1
96 ASN -0.37 -0.09 1
98 GLN 0.14 -0.10 1
99 VAL 0.40 -0.08 1
100 MET 0.79 -0.27 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6400_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -4.80
_LACS_plot.Line_1_terminator_val_y_1 -2.53
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.68
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.84
_LACS_plot.Line_2_terminator_val_x_2 8.96
_LACS_plot.Line_2_terminator_val_y_2 3.38
_LACS_plot.Y_axis_chem_shift_offset 0.16
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
52 ASP -4.80 0.62 0
11 TYR 3.51 1.46 1
12 VAL 6.46 1.26 1
13 GLU 3.79 1.93 1
14 GLN 4.98 3.52 1
15 LEU 2.94 0.34 1
16 LYS 5.20 2.73 1
17 GLN 4.30 2.19 1
18 ALA 3.15 3.24 1
20 LYS 4.85 4.61 1
21 THR 4.67 0.58 1
22 ARG 0.32 -0.42 1
24 VAL -0.26 -1.73 1
25 LYS 0.58 -1.68 1
26 VAL -4.37 -2.04 1
28 TYR 5.13 0.69 1
29 ALA 2.95 2.40 1
30 ASP 3.14 2.37 1
31 LEU 2.40 0.96 1
32 LEU 4.21 1.81 1
33 LYS 4.09 3.29 1
34 PHE 4.91 1.16 1
35 PHE 8.96 3.16 1
36 ASP 4.95 1.31 1
38 VAL 6.75 0.09 1
39 LYS 4.32 0.62 1
40 ASP 2.58 1.59 1
41 THR 2.15 0.52 1
44 TRP -2.42 0.69 1
47 GLN 0.57 0.02 1
48 GLU -0.11 -1.28 1
50 THR -0.24 -0.30 1
51 ILE 2.04 -2.23 1
53 ILE 2.01 -0.24 1
54 LYS 5.69 4.29 1
55 ARG 4.37 2.58 1
56 TRP 1.14 4.09 1
57 ARG 5.58 1.90 1
59 VAL 5.64 0.32 1
61 ASP 4.30 2.39 1
63 PHE 3.08 2.31 1
64 GLN 4.42 1.88 1
65 ASP 3.37 2.61 1
66 TYR 4.03 2.19 1
67 TYR 3.42 2.37 1
68 ASN 3.32 1.44 1
69 THR 4.23 0.22 1
70 PHE 0.59 0.69 1
73 GLU 2.95 0.90 1
74 LYS -1.54 -1.22 1
77 VAL 4.34 1.23 1
78 THR 1.56 0.96 1
79 ALA 4.44 1.53 1
80 PHE 5.82 3.03 1
81 SER 3.80 1.92 1
82 TYR 7.21 1.85 1
83 TRP 7.47 3.25 1
84 ASN 3.35 1.47 1
85 LEU 2.91 1.69 1
86 ILE 4.67 0.12 1
87 LYS 5.65 0.82 1
88 GLU 2.93 1.63 1
89 LEU 2.73 0.99 1
90 ILE 2.14 0.60 1
91 ASP 0.52 -0.16 1
92 LYS 0.37 -0.35 1
93 LYS 0.71 -0.15 1
94 GLU -0.48 -0.52 1
95 VAL 0.11 -0.97 1
98 GLN 0.14 -0.28 1
99 VAL 0.40 -1.29 1
stop_
save_