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 bmr10331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.20
_LACS_plot.Line_1_terminator_val_y_1 -2.66
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.02
_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 4.84
_LACS_plot.Line_2_terminator_val_y_2 2.27
_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
89 HIS 0.44 3.83 0
10 ASP 0.77 1.49 1
11 ALA 1.92 2.33 1
12 ARG 2.60 1.46 1
13 ARG 0.61 0.67 1
14 LEU 1.60 2.06 1
15 THR -4.27 -2.03 1
16 VAL -3.15 -1.53 1
17 THR -2.43 -1.10 1
18 SER 2.05 0.61 1
19 LEU 0.02 -0.24 1
20 GLN 0.11 -0.26 1
21 GLU 0.56 1.74 1
22 THR -2.40 -1.08 1
24 LEU 0.28 0.49 1
25 LYS -4.05 -1.63 1
26 VAL 2.93 1.78 1
27 ASN 3.86 2.09 1
28 GLN -2.50 -1.45 1
30 ALA -4.37 -1.93 1
31 SER -4.69 -1.69 1
32 PHE -1.34 -1.22 1
33 ALA -4.73 -1.92 1
34 VAL -3.64 -2.01 1
35 GLN -0.70 -1.10 1
36 LEU 3.59 1.39 1
37 ASN 2.48 1.28 1
39 ALA -1.42 -0.11 1
40 ARG -3.23 -1.80 1
42 VAL -2.38 -1.05 1
43 ILE -2.87 -2.91 1
44 ASP -5.22 -0.90 1
45 ALA -5.10 -2.07 1
46 ARG -4.47 -1.33 1
47 VAL -4.59 -2.79 1
48 HIS -1.47 -0.88 1
49 THR 2.43 0.02 1
51 SER 2.16 1.11 1
53 ALA -1.32 -0.78 1
54 VAL -1.55 -1.33 1
55 GLU -5.63 -2.63 1
56 GLU 0.19 0.66 1
58 TYR 0.30 0.38 1
59 VAL -1.80 -1.33 1
60 SER -1.49 0.40 1
61 GLU 0.12 0.15 1
62 LEU 1.28 1.16 1
63 ASP -2.29 -0.52 1
64 SER 3.36 1.21 1
65 ASP -1.15 1.03 1
66 LYS -5.18 -1.46 1
67 HIS -3.79 0.14 1
68 THR 0.60 0.76 1
69 ILE -1.01 -1.86 1
70 ARG -6.20 -1.71 1
71 PHE -3.72 -1.84 1
72 ILE -2.02 -1.13 1
74 HIS -1.43 -0.17 1
75 GLU -5.58 -2.35 1
76 ASN -0.90 0.27 1
78 VAL 3.77 2.38 1
79 HIS -1.83 0.03 1
80 SER -2.67 -1.88 1
81 ILE -1.86 -0.76 1
82 ASP -2.38 -0.92 1
83 VAL -0.29 0.34 1
84 LYS -5.70 -2.41 1
85 PHE -5.58 -2.17 1
86 ASN 2.72 0.54 1
88 ALA -4.79 -2.35 1
90 ILE 4.85 1.67 1
93 SER -0.51 -1.51 1
95 PHE -1.12 -0.18 1
96 LYS -0.85 -0.86 1
97 ILE -4.67 -1.84 1
98 ARG -0.64 0.23 1
99 VAL -0.24 -0.40 1
101 GLU -1.57 -0.49 1
102 GLN 0.39 0.56 1
103 SER 0.17 0.12 1
104 GLN -0.05 0.02 1
105 ALA 0.25 0.32 1
107 SER -0.37 -0.05 1
110 SER -0.12 0.11 1
111 SER -0.04 0.12 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.20
_LACS_plot.Line_1_terminator_val_y_1 3.54
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.98
_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 4.84
_LACS_plot.Line_2_terminator_val_y_2 -2.57
_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
89 HIS 0.44 3.39 0
10 ASP 0.77 0.72 1
11 ALA 1.92 0.41 1
12 ARG 2.60 -1.14 1
13 ARG 0.61 0.06 1
14 LEU 1.60 0.46 1
15 THR -4.27 2.24 1
16 VAL -3.15 1.62 1
17 THR -2.43 1.33 1
18 SER 2.05 -1.44 1
19 LEU 0.02 -0.26 1
20 GLN 0.11 -0.37 1
21 GLU 0.56 1.18 1
22 THR -2.40 1.32 1
24 LEU 0.28 0.21 1
25 LYS -4.05 2.42 1
26 VAL 2.93 -1.15 1
27 ASN 3.86 -1.77 1
28 GLN -2.50 1.05 1
30 ALA -4.37 2.44 1
31 SER -4.69 3.00 1
32 PHE -1.34 0.12 1
33 ALA -4.73 2.81 1
34 VAL -3.64 1.63 1
35 GLN -0.70 -0.40 1
36 LEU 3.59 -2.20 1
37 ASN 2.48 -1.20 1
39 ALA -1.42 1.31 1
40 ARG -3.23 1.43 1
42 VAL -2.38 1.33 1
43 ILE -2.87 -0.04 1
44 ASP -5.22 4.32 1
45 ALA -5.10 3.03 1
46 ARG -4.47 3.14 1
47 VAL -4.59 1.80 1
48 HIS -1.47 0.59 1
49 THR 2.43 -2.41 1
51 SER 2.16 -1.05 1
53 ALA -1.32 0.54 1
54 VAL -1.55 0.22 1
55 GLU -5.63 3.00 1
56 GLU 0.19 0.47 1
58 TYR 0.30 0.08 1
59 VAL -1.80 0.47 1
60 SER -1.49 1.89 1
61 GLU 0.12 0.03 1
62 LEU 1.28 -0.12 1
63 ASP -2.29 1.77 1
64 SER 3.36 -2.15 1
65 ASP -1.15 2.18 1
66 LYS -5.18 3.72 1
67 HIS -3.79 3.93 1
68 THR 0.60 0.16 1
69 ILE -1.01 -0.85 1
70 ARG -6.20 4.49 1
71 PHE -3.72 1.88 1
72 ILE -2.02 0.89 1
74 HIS -1.43 1.26 1
75 GLU -5.58 3.23 1
76 ASN -0.90 1.17 1
78 VAL 3.77 -1.39 1
79 HIS -1.83 1.86 1
80 SER -2.67 0.79 1
81 ILE -1.86 1.10 1
82 ASP -2.38 1.46 1
83 VAL -0.29 0.63 1
84 LYS -5.70 3.29 1
85 PHE -5.58 3.41 1
86 ASN 2.72 -2.18 1
88 ALA -4.79 2.44 1
90 ILE 4.85 -3.18 1
93 SER -0.51 -1.00 1
95 PHE -1.12 0.94 1
96 LYS -0.85 -0.01 1
97 ILE -4.67 2.83 1
98 ARG -0.64 0.87 1
99 VAL -0.24 -0.16 1
101 GLU -1.57 1.08 1
102 GLN 0.39 0.17 1
103 SER 0.17 -0.05 1
104 GLN -0.05 0.07 1
105 ALA 0.25 0.07 1
107 SER -0.37 0.32 1
110 SER -0.12 0.23 1
111 SER -0.04 0.16 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.20
_LACS_plot.Line_1_terminator_val_y_1 0.83
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.25
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.25
_LACS_plot.Line_2_terminator_val_x_2 4.84
_LACS_plot.Line_2_terminator_val_y_2 -0.60
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 VAL 3.77 0.26 0
90 ILE 4.85 0.10 0
10 ASP 0.77 -0.11 1
11 ALA 1.92 -0.50 1
12 ARG 2.60 -0.28 1
13 ARG 0.61 -0.19 1
14 LEU 1.60 0.21 1
15 THR -4.27 0.40 1
16 VAL -3.15 1.09 1
17 THR -2.43 0.33 1
18 SER 2.05 -0.39 1
19 LEU 0.02 -0.04 1
20 GLN 0.11 0.09 1
21 GLU 0.56 -0.11 1
22 THR -2.40 0.47 1
24 LEU 0.28 -0.02 1
25 LYS -4.05 0.31 1
26 VAL 2.93 -0.87 1
27 ASN 3.86 -0.64 1
28 GLN -2.50 0.18 1
30 ALA -4.37 0.25 1
31 SER -4.69 1.40 1
32 PHE -1.34 0.21 1
33 ALA -4.73 1.10 1
34 VAL -3.64 0.71 1
35 GLN -0.70 0.36 1
36 LEU 3.59 -0.37 1
37 ASN 2.48 -0.41 1
39 ALA -1.42 -0.03 1
40 ARG -3.23 0.62 1
42 VAL -2.38 0.05 1
43 ILE -2.87 0.97 1
44 ASP -5.22 0.14 1
45 ALA -5.10 1.44 1
46 ARG -4.47 0.63 1
47 VAL -4.59 0.60 1
48 HIS -1.47 0.49 1
49 THR 2.43 -0.32 1
51 SER 2.16 -0.13 1
53 ALA -1.32 0.13 1
54 VAL -1.55 0.84 1
55 GLU -5.63 0.40 1
56 GLU 0.19 0.00 1
58 TYR 0.30 0.03 1
59 VAL -1.80 0.35 1
60 SER -1.49 -0.16 1
61 GLU 0.12 0.02 1
62 LEU 1.28 -0.95 1
63 ASP -2.29 0.04 1
64 SER 3.36 -0.57 1
65 ASP -1.15 -0.24 1
66 LYS -5.18 1.12 1
67 HIS -3.79 -0.09 1
68 THR 0.60 0.37 1
69 ILE -1.01 0.67 1
70 ARG -6.20 1.38 1
71 PHE -3.72 0.44 1
72 ILE -2.02 0.01 1
74 HIS -1.43 0.27 1
75 GLU -5.58 0.28 1
76 ASN -0.90 -0.19 1
79 HIS -1.83 0.14 1
80 SER -2.67 1.11 1
81 ILE -1.86 0.67 1
82 ASP -2.38 0.33 1
83 VAL -0.29 0.48 1
84 LYS -5.70 0.74 1
85 PHE -5.58 0.62 1
86 ASN 2.72 -0.59 1
88 ALA -4.79 0.51 1
89 HIS 0.44 -0.28 1
93 SER -0.51 -0.86 1
95 PHE -1.12 -0.23 1
96 LYS -0.85 0.83 1
97 ILE -4.67 0.58 1
98 ARG -0.64 0.25 1
99 VAL -0.24 -0.03 1
101 GLU -1.57 0.01 1
102 GLN 0.39 -0.04 1
103 SER 0.17 -0.06 1
104 GLN -0.05 0.01 1
105 ALA 0.25 -0.02 1
107 SER -0.37 0.04 1
110 SER -0.12 0.01 1
111 SER -0.04 0.00 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.20
_LACS_plot.Line_1_terminator_val_y_1 -1.83
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.05
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.93
_LACS_plot.Line_2_terminator_val_x_2 4.84
_LACS_plot.Line_2_terminator_val_y_2 0.59
_LACS_plot.Y_axis_chem_shift_offset 0.49
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
32 PHE -1.34 -4.11 0
90 ILE 4.85 -1.66 0
89 HIS 0.44 3.05 0
10 ASP 0.77 0.31 1
11 ALA 1.92 0.14 1
12 ARG 2.60 0.72 1
13 ARG 0.61 -0.07 1
14 LEU 1.60 -0.11 1
15 THR -4.27 -1.54 1
16 VAL -3.15 -0.04 1
17 THR -2.43 -1.28 1
18 SER 2.05 -1.24 1
19 LEU 0.02 -1.57 1
20 GLN 0.11 -1.05 1
21 GLU 0.56 0.14 1
22 THR -2.40 -0.26 1
24 LEU 0.28 -0.79 1
25 LYS -4.05 -0.59 1
26 VAL 2.93 -0.52 1
27 ASN 3.86 -1.84 1
28 GLN -2.50 -1.45 1
30 ALA -4.37 -2.33 1
31 SER -4.69 -1.41 1
33 ALA -4.73 -1.76 1
34 VAL -3.64 -2.02 1
35 GLN -0.70 -0.55 1
36 LEU 3.59 0.11 1
37 ASN 2.48 1.20 1
39 ALA -1.42 -1.26 1
40 ARG -3.23 -0.84 1
42 VAL -2.38 -0.79 1
43 ILE -2.87 -2.24 1
44 ASP -5.22 -2.66 1
45 ALA -5.10 -2.39 1
46 ARG -4.47 -3.12 1
47 VAL -4.59 -3.24 1
48 HIS -1.47 2.10 1
49 THR 2.43 1.67 1
51 SER 2.16 0.55 1
53 ALA -1.32 -1.35 1
54 VAL -1.55 -0.24 1
55 GLU -5.63 -1.02 1
56 GLU 0.19 0.59 1
58 TYR 0.30 -1.71 1
59 VAL -1.80 -0.53 1
60 SER -1.49 0.25 1
61 GLU 0.12 -0.02 1
62 LEU 1.28 -1.10 1
64 SER 3.36 -0.35 1
67 HIS -3.79 0.60 1
68 THR 0.60 -2.11 1
69 ILE -1.01 -2.06 1
70 ARG -6.20 -1.49 1
71 PHE -3.72 -4.09 1
72 ILE -2.02 -1.20 1
74 HIS -1.43 -0.80 1
75 GLU -5.58 -3.08 1
76 ASN -0.90 0.32 1
78 VAL 3.77 -0.18 1
79 HIS -1.83 -0.40 1
80 SER -2.67 -0.95 1
81 ILE -1.86 -0.81 1
82 ASP -2.38 -0.20 1
83 VAL -0.29 -2.75 1
84 LYS -5.70 -1.94 1
85 PHE -5.58 -0.48 1
86 ASN 2.72 0.36 1
88 ALA -4.79 -0.88 1
93 SER -0.51 1.82 1
95 PHE -1.12 0.04 1
96 LYS -0.85 -0.32 1
97 ILE -4.67 -2.17 1
98 ARG -0.64 -1.55 1
99 VAL -0.24 0.59 1
101 GLU -1.57 0.33 1
102 GLN 0.39 0.03 1
103 SER 0.17 -0.04 1
104 GLN -0.05 -0.28 1
105 ALA 0.25 0.42 1
107 SER -0.37 0.03 1
110 SER -0.12 0.07 1
111 SER -0.04 -0.70 1
stop_
save_