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 bmr11207_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 -2.38
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.76
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.26
_LACS_plot.Line_2_terminator_val_x_2 6.79
_LACS_plot.Line_2_terminator_val_y_2 5.05
_LACS_plot.Y_axis_chem_shift_offset -0.13
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
83 HIS 6.79 7.32 0
10 ALA -0.38 -0.16 1
11 ARG -0.38 -0.18 1
12 ILE -0.07 -0.11 1
13 GLU -0.79 -0.12 1
14 GLU -1.89 -0.65 1
15 GLU -2.96 -0.59 1
16 GLU -3.88 -1.83 1
17 LEU -3.38 -0.55 1
18 THR 0.20 -0.08 1
19 LEU -4.41 -1.77 1
20 THR -0.38 0.13 1
21 ILE -2.19 -0.68 1
22 LEU -0.42 -1.51 1
23 ARG 0.36 1.05 1
24 GLN -2.01 -0.48 1
25 THR 2.45 1.75 1
28 LEU -1.09 0.37 1
30 ILE -6.40 -2.02 1
31 SER -2.02 -0.57 1
32 ILE -5.92 -2.19 1
33 ALA -6.62 -1.48 1
36 LYS 3.01 2.11 1
38 SER -1.84 -0.95 1
39 THR 1.79 1.83 1
41 TYR 1.05 1.94 1
42 LYS -3.98 -1.83 1
44 ASP -1.28 -1.38 1
45 ASP -1.42 0.49 1
46 GLU -0.16 -0.06 1
48 ILE 0.03 -2.20 1
49 PHE -6.79 -2.42 1
50 ILE 1.65 -1.59 1
51 SER -1.54 -0.35 1
52 ARG -2.67 0.65 1
53 VAL -3.29 -1.20 1
54 SER 1.24 0.41 1
55 GLU 3.32 2.91 1
56 GLU 1.01 -0.06 1
59 ALA 2.87 2.72 1
60 ALA 3.61 2.69 1
61 ARG 3.53 2.83 1
62 ALA -1.71 0.15 1
64 VAL 2.45 1.40 1
65 ARG -5.19 -1.63 1
66 VAL 4.37 2.89 1
68 ASP 2.13 1.81 1
69 LYS -3.34 -1.12 1
70 LEU -0.24 0.10 1
71 LEU 0.00 0.43 1
72 GLU -6.52 -1.28 1
73 VAL -3.58 -1.34 1
74 ASN 2.93 1.14 1
76 VAL 0.78 -0.03 1
77 ALA 0.20 0.30 1
78 LEU -1.50 -1.37 1
79 GLN 3.93 2.44 1
81 ALA -1.42 -0.35 1
82 GLU -2.29 -0.25 1
84 HIS 3.97 4.37 1
85 GLU 2.02 1.91 1
86 ALA 2.00 2.23 1
87 VAL 5.91 4.93 1
88 GLU 3.00 2.26 1
89 ALA 3.88 2.25 1
90 LEU 3.07 2.48 1
91 ARG 3.08 2.72 1
93 ALA -0.89 0.44 1
95 THR 3.05 2.55 1
96 ALA -2.27 -1.55 1
97 VAL -0.61 -0.33 1
98 GLN -1.60 -0.77 1
99 MET -4.73 -1.17 1
100 ARG -3.40 -1.20 1
101 VAL -7.32 -4.11 1
102 TRP -4.41 -1.40 1
103 ARG -4.32 -1.34 1
104 GLU -1.85 -0.73 1
105 SER -0.35 0.06 1
108 SER -0.07 0.07 1
109 SER -0.12 0.08 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11207_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 4.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.74
_LACS_plot.Line_2_terminator_val_x_2 6.79
_LACS_plot.Line_2_terminator_val_y_2 -1.74
_LACS_plot.Y_axis_chem_shift_offset -0.13
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
83 HIS 6.79 0.53 0
10 ALA -0.38 0.22 1
11 ARG -0.38 0.20 1
12 ILE -0.07 -0.04 1
13 GLU -0.79 0.67 1
14 GLU -1.89 1.24 1
15 GLU -2.96 2.37 1
16 GLU -3.88 2.05 1
17 LEU -3.38 2.83 1
18 THR 0.20 -0.28 1
19 LEU -4.41 2.64 1
20 THR -0.38 0.51 1
21 ILE -2.19 1.51 1
22 LEU -0.42 -1.09 1
23 ARG 0.36 0.69 1
24 GLN -2.01 1.53 1
25 THR 2.45 -0.70 1
28 LEU -1.09 1.46 1
30 ILE -6.40 4.38 1
31 SER -2.02 1.45 1
32 ILE -5.92 3.73 1
33 ALA -6.62 5.14 1
36 LYS 3.01 -0.90 1
38 SER -1.84 0.89 1
39 THR 1.79 0.04 1
41 TYR 1.05 0.89 1
42 LYS -3.98 2.15 1
44 ASP -1.28 -0.10 1
45 ASP -1.42 1.91 1
46 GLU -0.16 0.10 1
48 ILE 0.03 -2.23 1
49 PHE -6.79 4.37 1
50 ILE 1.65 -3.24 1
51 SER -1.54 1.19 1
52 ARG -2.67 3.32 1
53 VAL -3.29 2.09 1
54 SER 1.24 -0.83 1
55 GLU 3.32 -0.41 1
56 GLU 1.01 -1.07 1
59 ALA 2.87 -0.15 1
60 ALA 3.61 -0.92 1
61 ARG 3.53 -0.70 1
62 ALA -1.71 1.86 1
64 VAL 2.45 -1.05 1
65 ARG -5.19 3.56 1
66 VAL 4.37 -1.48 1
68 ASP 2.13 -0.32 1
69 LYS -3.34 2.22 1
70 LEU -0.24 0.34 1
71 LEU 0.00 0.43 1
72 GLU -6.52 5.24 1
73 VAL -3.58 2.24 1
74 ASN 2.93 -1.79 1
76 VAL 0.78 -0.81 1
77 ALA 0.20 0.10 1
78 LEU -1.50 0.13 1
79 GLN 3.93 -1.49 1
81 ALA -1.42 1.07 1
82 GLU -2.29 2.04 1
84 HIS 3.97 0.40 1
85 GLU 2.02 -0.11 1
86 ALA 2.00 0.23 1
87 VAL 5.91 -0.98 1
88 GLU 3.00 -0.74 1
89 ALA 3.88 -1.63 1
90 LEU 3.07 -0.59 1
91 ARG 3.08 -0.36 1
93 ALA -0.89 1.33 1
95 THR 3.05 -0.50 1
96 ALA -2.27 0.72 1
97 VAL -0.61 0.28 1
98 GLN -1.60 0.83 1
99 MET -4.73 3.56 1
100 ARG -3.40 2.20 1
101 VAL -7.32 3.21 1
102 TRP -4.41 3.01 1
103 ARG -4.32 2.98 1
104 GLU -1.85 1.12 1
105 SER -0.35 0.41 1
108 SER -0.07 0.14 1
109 SER -0.12 0.20 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11207_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 0.84
_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 0.23
_LACS_plot.Line_2_terminator_val_x_2 6.79
_LACS_plot.Line_2_terminator_val_y_2 -0.74
_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
101 VAL -7.32 1.56 0
10 ALA -0.38 -0.05 1
11 ARG -0.38 0.02 1
12 ILE -0.07 0.05 1
13 GLU -0.79 0.01 1
14 GLU -1.89 0.15 1
15 GLU -2.96 -0.04 1
16 GLU -3.88 1.06 1
17 LEU -3.38 0.43 1
18 THR 0.20 0.77 1
19 LEU -4.41 0.50 1
20 THR -0.38 0.70 1
21 ILE -2.19 -0.09 1
22 LEU -0.42 0.62 1
23 ARG 0.36 -0.34 1
24 GLN -2.01 0.31 1
25 THR 2.45 -0.19 1
28 LEU -1.09 -0.13 1
30 ILE -6.40 1.15 1
31 SER -2.02 0.39 1
32 ILE -5.92 1.30 1
33 ALA -6.62 0.60 1
36 LYS 3.01 -0.16 1
38 SER -1.84 0.31 1
39 THR 1.79 -0.23 1
41 TYR 1.05 -0.44 1
42 LYS -3.98 -0.14 1
44 ASP -1.28 0.07 1
45 ASP -1.42 -0.06 1
46 GLU -0.16 0.43 1
48 ILE 0.03 0.49 1
49 PHE -6.79 0.62 1
50 ILE 1.65 0.16 1
51 SER -1.54 0.07 1
52 ARG -2.67 0.04 1
53 VAL -3.29 0.45 1
54 SER 1.24 -0.09 1
55 GLU 3.32 -0.40 1
56 GLU 1.01 -0.08 1
59 ALA 2.87 -0.28 1
60 ALA 3.61 -0.28 1
61 ARG 3.53 -0.27 1
62 ALA -1.71 0.10 1
64 VAL 2.45 -0.70 1
65 ARG -5.19 0.33 1
66 VAL 4.37 -0.78 1
68 ASP 2.13 0.02 1
69 LYS -3.34 -0.08 1
70 LEU -0.24 -0.09 1
71 LEU 0.00 0.04 1
72 GLU -6.52 0.77 1
73 VAL -3.58 0.61 1
74 ASN 2.93 -0.25 1
76 VAL 0.78 -0.12 1
77 ALA 0.20 0.10 1
78 LEU -1.50 0.14 1
79 GLN 3.93 -0.11 1
81 ALA -1.42 0.02 1
82 GLU -2.29 0.22 1
83 HIS 6.79 -0.93 1
84 HIS 3.97 -0.43 1
85 GLU 2.02 -0.42 1
86 ALA 2.00 -0.40 1
87 VAL 5.91 -0.81 1
88 GLU 3.00 -0.29 1
89 ALA 3.88 -0.19 1
90 LEU 3.07 -0.49 1
91 ARG 3.08 -0.21 1
93 ALA -0.89 -0.07 1
95 THR 3.05 -0.26 1
96 ALA -2.27 0.69 1
97 VAL -0.61 0.06 1
98 GLN -1.60 0.71 1
99 MET -4.73 0.74 1
100 ARG -3.40 1.17 1
102 TRP -4.41 0.70 1
103 ARG -4.32 0.17 1
104 GLU -1.85 -0.17 1
105 SER -0.35 -0.03 1
108 SER -0.07 0.04 1
109 SER -0.12 0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11207_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 -2.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.52
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.92
_LACS_plot.Line_2_terminator_val_x_2 6.79
_LACS_plot.Line_2_terminator_val_y_2 2.55
_LACS_plot.Y_axis_chem_shift_offset 0.13
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
83 HIS 6.79 3.86 0
64 VAL 2.45 -2.49 0
60 ALA 3.61 4.51 0
10 ALA -0.38 -0.27 1
11 ARG -0.38 -0.38 1
12 ILE -0.07 -0.21 1
13 GLU -0.79 -0.74 1
14 GLU -1.89 -1.01 1
15 GLU -2.96 -2.89 1
16 GLU -3.88 -0.53 1
17 LEU -3.38 -2.10 1
18 THR 0.20 -0.96 1
19 LEU -4.41 -2.21 1
20 THR -0.38 -1.57 1
21 ILE -2.19 -1.91 1
22 LEU -0.42 -1.77 1
23 ARG 0.36 -0.78 1
24 GLN -2.01 0.28 1
28 LEU -1.09 -0.47 1
30 ILE -6.40 -0.75 1
31 SER -2.02 -1.84 1
32 ILE -5.92 -1.36 1
33 ALA -6.62 -2.09 1
36 LYS 3.01 2.10 1
38 SER -1.84 -0.67 1
39 THR 1.79 -0.46 1
41 TYR 1.05 -0.78 1
42 LYS -3.98 -1.95 1
44 ASP -1.28 -0.40 1
45 ASP -1.42 0.13 1
46 GLU -0.16 0.98 1
48 ILE 0.03 -1.78 1
49 PHE -6.79 -0.31 1
50 ILE 1.65 -1.11 1
51 SER -1.54 0.72 1
52 ARG -2.67 -2.70 1
53 VAL -3.29 -0.76 1
54 SER 1.24 1.73 1
55 GLU 3.32 0.34 1
56 GLU 1.01 -0.40 1
59 ALA 2.87 0.95 1
61 ARG 3.53 1.28 1
62 ALA -1.71 -0.48 1
65 ARG -5.19 -0.87 1
66 VAL 4.37 1.80 1
68 ASP 2.13 -1.55 1
69 LYS -3.34 -0.65 1
70 LEU -0.24 -3.24 1
71 LEU 0.00 1.17 1
72 GLU -6.52 -1.75 1
73 VAL -3.58 -1.11 1
74 ASN 2.93 -0.18 1
76 VAL 0.78 -1.21 1
77 ALA 0.20 0.73 1
78 LEU -1.50 -0.27 1
79 GLN 3.93 0.96 1
81 ALA -1.42 1.76 1
82 GLU -2.29 1.02 1
84 HIS 3.97 3.24 1
85 GLU 2.02 3.02 1
86 ALA 2.00 0.19 1
87 VAL 5.91 3.02 1
88 GLU 3.00 2.41 1
89 ALA 3.88 2.36 1
90 LEU 3.07 1.00 1
91 ARG 3.08 1.97 1
93 ALA -0.89 -0.82 1
95 THR 3.05 -1.09 1
96 ALA -2.27 -1.94 1
97 VAL -0.61 -2.01 1
98 GLN -1.60 -0.75 1
99 MET -4.73 -2.64 1
100 ARG -3.40 -0.52 1
101 VAL -7.32 -2.65 1
102 TRP -4.41 -1.39 1
103 ARG -4.32 -2.82 1
104 GLU -1.85 -0.19 1
105 SER -0.35 -0.09 1
108 SER -0.07 0.17 1
109 SER -0.12 0.16 1
stop_
save_