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 bmr6331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.06
_LACS_plot.Line_1_terminator_val_y_1 -5.14
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.36
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.55
_LACS_plot.Line_2_terminator_val_x_2 5.94
_LACS_plot.Line_2_terminator_val_y_2 1.97
_LACS_plot.Y_axis_chem_shift_offset 2.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
86 ASP 3.76 2.85 0
16 GLN 2.69 -3.35 0
18 TRP -4.09 -6.80 0
10 GLN 0.45 -2.29 1
11 LYS 2.15 -1.30 1
13 LEU 3.95 0.96 1
14 HIS 2.64 0.64 1
15 GLU -2.16 -3.50 1
17 LEU 2.81 0.39 1
19 TYR -0.88 -2.62 1
20 HIS -3.16 -1.16 1
22 ALA 0.53 -3.76 1
23 ILE 0.19 -2.18 1
25 ARG 4.93 1.85 1
26 ALA 2.66 -0.01 1
27 GLU 1.30 -1.16 1
28 VAL 5.94 1.98 1
29 ALA 3.15 0.06 1
30 GLU 0.47 -1.79 1
31 LEU -1.15 -1.90 1
32 LEU -1.29 -3.48 1
33 VAL -0.46 -0.55 1
34 HIS -5.56 -3.91 1
35 SER 3.43 -0.18 1
37 ASP -0.84 -2.01 1
38 PHE -8.06 -4.35 1
39 LEU -3.08 -3.22 1
40 VAL -2.90 -3.51 1
41 ARG -5.49 -4.97 1
42 GLU -4.42 -4.30 1
43 SER -0.21 -2.54 1
44 GLN -3.08 -0.45 1
46 LYS -1.34 -2.73 1
47 GLN 2.42 -1.87 1
48 GLU -4.44 -3.95 1
49 TYR -2.11 -2.35 1
50 VAL -4.32 -3.60 1
51 LEU -3.67 -3.74 1
52 SER -1.62 -1.75 1
53 VAL -7.22 -5.96 1
54 LEU 0.01 -2.88 1
55 TRP -3.76 -1.36 1
56 ASP 2.41 -1.35 1
58 LEU -5.06 -3.39 1
60 ARG -4.10 -5.91 1
61 HIS -3.60 -2.41 1
62 PHE -2.40 -3.40 1
63 ILE 1.78 -1.24 1
64 ILE 2.16 -1.16 1
65 GLN -0.95 -2.28 1
66 SER -2.74 -4.55 1
67 LEU -2.19 -2.49 1
68 ASP 3.33 -0.78 1
69 ASN 2.95 -0.69 1
70 LEU -4.59 -4.19 1
71 TYR -2.29 -2.99 1
72 ARG -5.13 -3.39 1
73 LEU 1.77 -1.44 1
74 GLU -2.37 -2.91 1
76 GLU -0.16 -2.01 1
78 PHE -4.15 -1.97 1
80 SER -5.27 -4.53 1
81 ILE 3.38 0.85 1
83 LEU 3.75 0.72 1
84 LEU 4.57 -1.70 1
85 ILE 2.10 1.20 1
87 HIS 4.20 0.95 1
88 LEU 2.26 0.41 1
89 LEU 3.95 1.08 1
90 SER 0.25 -1.12 1
91 THR 4.11 -1.11 1
92 GLN -1.19 -2.54 1
93 GLN 3.82 0.98 1
95 LEU -6.46 -5.96 1
96 THR 4.15 0.80 1
97 LYS 2.10 -0.41 1
98 LYS 1.80 -0.44 1
99 SER 2.47 -1.50 1
101 VAL -4.65 -4.27 1
102 VAL 0.60 -2.65 1
103 LEU -2.71 -0.73 1
104 HIS -2.80 -1.66 1
105 ARG -3.10 -4.25 1
106 ALA 1.03 -1.50 1
107 VAL -0.54 -2.86 1
109 SER -0.05 -2.25 1
112 SER -0.26 -2.22 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.06
_LACS_plot.Line_1_terminator_val_y_1 2.92
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.36
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.55
_LACS_plot.Line_2_terminator_val_x_2 5.94
_LACS_plot.Line_2_terminator_val_y_2 -3.97
_LACS_plot.Y_axis_chem_shift_offset 2.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
86 ASP 3.76 -0.91 0
16 GLN 2.69 -6.04 0
18 TRP -4.09 -2.71 0
10 GLN 0.45 -2.74 1
11 LYS 2.15 -3.45 1
13 LEU 3.95 -2.99 1
14 HIS 2.64 -2.00 1
15 GLU -2.16 -1.34 1
17 LEU 2.81 -2.42 1
19 TYR -0.88 -1.74 1
20 HIS -3.16 2.00 1
22 ALA 0.53 -4.29 1
23 ILE 0.19 -2.37 1
25 ARG 4.93 -3.08 1
26 ALA 2.66 -2.67 1
27 GLU 1.30 -2.46 1
28 VAL 5.94 -3.96 1
29 ALA 3.15 -3.09 1
30 GLU 0.47 -2.26 1
31 LEU -1.15 -0.75 1
32 LEU -1.29 -2.19 1
33 VAL -0.46 -0.09 1
34 HIS -5.56 1.65 1
35 SER 3.43 -3.61 1
37 ASP -0.84 -1.17 1
38 PHE -8.06 3.71 1
39 LEU -3.08 -0.14 1
40 VAL -2.90 -0.61 1
41 ARG -5.49 0.52 1
42 GLU -4.42 0.12 1
43 SER -0.21 -2.33 1
44 GLN -3.08 2.63 1
46 LYS -1.34 -1.39 1
47 GLN 2.42 -4.29 1
48 GLU -4.44 0.49 1
49 TYR -2.11 -0.24 1
50 VAL -4.32 0.72 1
51 LEU -3.67 -0.07 1
52 SER -1.62 -0.13 1
53 VAL -7.22 1.26 1
54 LEU 0.01 -2.89 1
55 TRP -3.76 2.40 1
56 ASP 2.41 -3.76 1
58 LEU -5.06 1.67 1
60 ARG -4.10 -1.81 1
61 HIS -3.60 1.19 1
62 PHE -2.40 -1.00 1
63 ILE 1.78 -3.02 1
64 ILE 2.16 -3.32 1
65 GLN -0.95 -1.33 1
66 SER -2.74 -1.81 1
67 LEU -2.19 -0.30 1
68 ASP 3.33 -4.11 1
69 ASN 2.95 -3.64 1
70 LEU -4.59 0.40 1
71 TYR -2.29 -0.70 1
72 ARG -5.13 1.74 1
73 LEU 1.77 -3.21 1
74 GLU -2.37 -0.54 1
76 GLU -0.16 -1.85 1
78 PHE -4.15 2.18 1
80 SER -5.27 0.74 1
81 ILE 3.38 -2.53 1
83 LEU 3.75 -3.03 1
84 LEU 4.57 -6.27 1
85 ILE 2.10 -0.90 1
87 HIS 4.20 -3.25 1
88 LEU 2.26 -1.85 1
89 LEU 3.95 -2.87 1
90 SER 0.25 -1.37 1
91 THR 4.11 -5.22 1
92 GLN -1.19 -1.35 1
93 GLN 3.82 -2.84 1
95 LEU -6.46 0.50 1
96 THR 4.15 -3.35 1
97 LYS 2.10 -2.51 1
98 LYS 1.80 -2.24 1
99 SER 2.47 -3.97 1
101 VAL -4.65 0.38 1
102 VAL 0.60 -3.25 1
103 LEU -2.71 1.98 1
104 HIS -2.80 1.14 1
105 ARG -3.10 -1.15 1
106 ALA 1.03 -2.53 1
107 VAL -0.54 -2.32 1
109 SER -0.05 -2.20 1
112 SER -0.26 -1.96 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.06
_LACS_plot.Line_1_terminator_val_y_1 0.81
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.43
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.04
_LACS_plot.Line_2_terminator_val_x_2 5.94
_LACS_plot.Line_2_terminator_val_y_2 -0.88
_LACS_plot.Y_axis_chem_shift_offset 0.19
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
99 SER 2.47 -3.15 0
10 GLN 0.45 -0.28 1
11 LYS 2.15 -0.37 1
13 LEU 3.95 -1.02 1
14 HIS 2.64 -0.83 1
15 GLU -2.16 -0.16 1
16 GLN 2.69 -0.81 1
17 LEU 2.81 -0.43 1
18 TRP -4.09 0.31 1
19 TYR -0.88 0.84 1
20 HIS -3.16 -0.36 1
22 ALA 0.53 0.75 1
23 ILE 0.19 0.09 1
25 ARG 4.93 -0.86 1
26 ALA 2.66 -0.27 1
27 GLU 1.30 -0.26 1
28 VAL 5.94 -0.83 1
29 ALA 3.15 -0.47 1
30 GLU 0.47 -0.25 1
31 LEU -1.15 -0.22 1
32 LEU -1.29 0.00 1
33 VAL -0.46 -0.24 1
34 HIS -5.56 0.03 1
35 SER 3.43 -0.48 1
37 ASP -0.84 1.16 1
38 PHE -8.06 1.49 1
39 LEU -3.08 0.53 1
40 VAL -2.90 1.50 1
41 ARG -5.49 0.77 1
42 GLU -4.42 0.62 1
43 SER -0.21 -0.23 1
44 GLN -3.08 -0.29 1
46 LYS -1.34 -0.10 1
47 GLN 2.42 -0.27 1
48 GLU -4.44 0.04 1
49 TYR -2.11 0.72 1
50 VAL -4.32 0.56 1
51 LEU -3.67 0.76 1
52 SER -1.62 1.30 1
53 VAL -7.22 1.39 1
54 LEU 0.01 0.09 1
55 TRP -3.76 0.11 1
56 ASP 2.41 -0.66 1
58 LEU -5.06 0.32 1
60 ARG -4.10 -0.07 1
61 HIS -3.60 0.43 1
62 PHE -2.40 -0.02 1
63 ILE 1.78 -0.06 1
64 ILE 2.16 -0.18 1
65 GLN -0.95 0.12 1
66 SER -2.74 0.52 1
67 LEU -2.19 0.07 1
68 ASP 3.33 -0.54 1
69 ASN 2.95 -0.76 1
70 LEU -4.59 0.18 1
71 TYR -2.29 0.89 1
72 ARG -5.13 0.55 1
73 LEU 1.77 0.42 1
74 GLU -2.37 0.05 1
76 GLU -0.16 -0.45 1
78 PHE -4.15 -0.00 1
80 SER -5.27 0.34 1
81 ILE 3.38 -0.42 1
83 LEU 3.75 -1.20 1
84 LEU 4.57 -1.16 1
85 ILE 2.10 -0.39 1
86 ASP 3.76 -0.64 1
87 HIS 4.20 -0.88 1
88 LEU 2.26 -0.59 1
89 LEU 3.95 -0.39 1
90 SER 0.25 -0.24 1
91 THR 4.11 -0.64 1
92 GLN -1.19 -0.41 1
93 GLN 3.82 -1.04 1
95 LEU -6.46 -0.05 1
96 THR 4.15 -0.51 1
97 LYS 2.10 -0.31 1
98 LYS 1.80 -0.24 1
101 VAL -4.65 -0.43 1
102 VAL 0.60 -0.44 1
103 LEU -2.71 0.24 1
104 HIS -2.80 0.09 1
105 ARG -3.10 -1.54 1
106 ALA 1.03 -0.22 1
107 VAL -0.54 -0.87 1
109 SER -0.05 -0.05 1
112 SER -0.26 -0.05 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.06
_LACS_plot.Line_1_terminator_val_y_1 -4.74
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.19
_LACS_plot.Line_2_terminator_val_x_2 5.94
_LACS_plot.Line_2_terminator_val_y_2 -1.11
_LACS_plot.Y_axis_chem_shift_offset 2.66
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
34 HIS -5.56 -1.04 0
99 SER 2.47 -5.76 0
86 ASP 3.76 1.91 0
38 PHE -8.06 -7.14 0
10 GLN 0.45 -1.97 1
11 LYS 2.15 -2.41 1
13 LEU 3.95 -3.33 1
14 HIS 2.64 -0.60 1
15 GLU -2.16 -2.49 1
16 GLN 2.69 -0.19 1
17 LEU 2.81 -3.85 1
18 TRP -4.09 -2.58 1
19 TYR -0.88 -2.52 1
20 HIS -3.16 -1.31 1
22 ALA 0.53 -2.91 1
23 ILE 0.19 -3.71 1
25 ARG 4.93 0.21 1
26 ALA 2.66 -0.83 1
27 GLU 1.30 -0.77 1
28 VAL 5.94 -1.60 1
29 ALA 3.15 -1.63 1
30 GLU 0.47 -1.64 1
31 LEU -1.15 -3.76 1
32 LEU -1.29 -5.25 1
33 VAL -0.46 -3.36 1
35 SER 3.43 0.28 1
37 ASP -0.84 -2.44 1
39 LEU -3.08 -4.82 1
40 VAL -2.90 -5.73 1
41 ARG -5.49 -5.45 1
42 GLU -4.42 -1.95 1
43 SER -0.21 -2.81 1
44 GLN -3.08 -0.95 1
46 LYS -1.34 -3.68 1
47 GLN 2.42 -3.93 1
48 GLU -4.44 -5.10 1
49 TYR -2.11 -3.94 1
50 VAL -4.32 -4.57 1
51 LEU -3.67 -4.72 1
52 SER -1.62 -4.60 1
53 VAL -7.22 -3.46 1
54 LEU 0.01 -4.15 1
55 TRP -3.76 -2.97 1
56 ASP 2.41 -3.06 1
58 LEU -5.06 -4.31 1
60 ARG -4.10 -4.25 1
61 HIS -3.60 -1.54 1
62 PHE -2.40 -3.76 1
63 ILE 1.78 -2.52 1
64 ILE 2.16 -3.22 1
65 GLN -0.95 -2.94 1
66 SER -2.74 -2.77 1
67 LEU -2.19 -3.62 1
68 ASP 3.33 -4.01 1
69 ASN 2.95 -4.08 1
70 LEU -4.59 -4.33 1
71 TYR -2.29 -2.32 1
72 ARG -5.13 -4.75 1
73 LEU 1.77 -3.76 1
74 GLU -2.37 -3.54 1
76 GLU -0.16 -3.62 1
78 PHE -4.15 -1.04 1
80 SER -5.27 -3.92 1
81 ILE 3.38 -1.36 1
83 LEU 3.75 -2.94 1
84 LEU 4.57 -1.61 1
85 ILE 2.10 0.21 1
87 HIS 4.20 0.45 1
88 LEU 2.26 -0.39 1
89 LEU 3.95 -0.16 1
90 SER 0.25 -1.20 1
91 THR 4.11 -4.66 1
92 GLN -1.19 -3.58 1
93 GLN 3.82 -2.13 1
95 LEU -6.46 -2.55 1
96 THR 4.15 0.43 1
97 LYS 2.10 -1.12 1
98 LYS 1.80 -0.93 1
101 VAL -4.65 -4.11 1
102 VAL 0.60 -3.76 1
103 LEU -2.71 -1.56 1
104 HIS -2.80 -6.20 1
105 ARG -3.10 -3.40 1
106 ALA 1.03 -2.64 1
107 VAL -0.54 -2.05 1
109 SER -0.05 -2.13 1
112 SER -0.26 -3.00 1
stop_
save_