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 bmr17066_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.75
_LACS_plot.Line_1_terminator_val_y_1 -3.00
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.58
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.47
_LACS_plot.Line_2_terminator_val_x_2 6.29
_LACS_plot.Line_2_terminator_val_y_2 4.44
_LACS_plot.Y_axis_chem_shift_offset 0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
124 ILE -6.76 -0.65 0
10 ALA -0.19 -0.20 1
12 GLN 0.62 0.59 1
13 ASN 0.75 0.52 1
14 THR 2.17 1.93 1
15 PHE 3.55 2.89 1
16 LEU 3.74 2.91 1
17 ASP 3.86 3.69 1
18 THR 5.58 4.34 1
19 ILE 4.40 2.53 1
20 ILE 5.93 5.48 1
21 ARG 3.83 3.05 1
22 LYS 3.16 2.44 1
23 PHE 2.66 1.90 1
24 GLU 1.52 1.67 1
26 GLN 0.80 0.56 1
27 SER 2.18 0.30 1
28 ARG -1.27 -0.39 1
29 LYS 0.48 0.08 1
30 PHE -4.48 -1.42 1
31 ILE -5.15 -2.61 1
32 ILE -2.58 -1.04 1
33 ALA -8.75 -2.81 1
34 ASN -0.26 -0.48 1
35 ALA -1.53 -0.21 1
36 ARG 1.47 0.28 1
37 VAL -2.41 -1.61 1
38 GLU 2.58 2.06 1
39 ASN 1.08 -0.14 1
41 ALA -1.98 -0.54 1
42 VAL 3.43 2.90 1
43 ILE -0.80 0.11 1
44 TYR -1.98 1.37 1
46 ASN -2.97 -2.44 1
47 ASP 5.72 3.75 1
49 PHE 5.67 5.25 1
51 GLU 1.86 1.67 1
52 LEU 3.22 2.47 1
55 TYR -0.85 -0.29 1
56 SER -3.01 -1.18 1
57 ARG 6.11 4.59 1
58 ALA 2.80 2.06 1
59 GLU -0.20 0.94 1
60 VAL 1.19 1.99 1
61 MET 2.05 0.86 1
62 GLN 4.25 1.91 1
63 ARG 1.44 0.29 1
66 THR 3.35 1.12 1
68 ASP 3.17 1.41 1
69 PHE 1.46 -1.09 1
70 LEU 0.30 -1.15 1
71 HIS -3.09 0.28 1
74 ARG 1.35 0.70 1
75 THR 4.17 2.60 1
76 GLN 1.71 0.70 1
77 ARG 4.78 2.93 1
78 ARG 4.40 3.09 1
79 ALA 2.76 2.09 1
80 ALA 4.12 2.45 1
81 ALA 3.58 2.20 1
82 GLN 3.51 3.49 1
83 ILE 6.30 5.18 1
84 ALA 4.49 2.82 1
85 GLN 3.24 2.24 1
86 ALA 3.15 1.88 1
87 LEU 2.37 0.31 1
88 LEU 0.18 -0.15 1
90 ALA -1.85 -1.53 1
91 GLU -5.78 -2.31 1
92 GLU -0.46 -0.65 1
93 ARG -5.84 -1.71 1
94 LYS -3.22 -1.29 1
95 VAL -4.58 -0.79 1
96 GLU -2.86 -1.40 1
97 ILE -4.75 -0.89 1
98 ALA -1.46 -1.87 1
99 PHE -2.83 -1.29 1
100 TYR -0.53 -0.39 1
101 ARG 4.85 3.46 1
102 LYS 0.99 -0.58 1
103 ASP 0.19 -0.03 1
105 SER -4.46 -2.72 1
107 PHE -1.73 -1.15 1
108 LEU -2.36 -1.48 1
110 LEU -2.08 -1.61 1
111 VAL -3.48 -1.58 1
112 ASP 1.15 0.38 1
113 VAL -2.30 -0.20 1
114 VAL -0.34 -0.21 1
116 VAL -4.54 -1.91 1
117 LYS -2.64 -2.80 1
118 ASN 4.04 3.00 1
119 GLU -0.17 0.09 1
120 ASP -1.66 -1.56 1
122 ALA 3.24 1.38 1
123 VAL -0.92 0.16 1
125 MET -4.51 -0.04 1
126 PHE -2.40 -1.19 1
127 ILE 0.20 0.80 1
128 LEU -5.04 -1.27 1
129 ASN -2.16 -0.09 1
130 PHE -5.04 -2.03 1
131 GLU 2.57 1.71 1
132 VAL 0.18 0.39 1
133 VAL -1.39 -0.45 1
134 MET -0.50 0.00 1
135 GLU 0.14 0.74 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17066_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.75
_LACS_plot.Line_1_terminator_val_y_1 5.75
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.42
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.53
_LACS_plot.Line_2_terminator_val_x_2 6.29
_LACS_plot.Line_2_terminator_val_y_2 -1.85
_LACS_plot.Y_axis_chem_shift_offset 0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
124 ILE -6.76 6.11 0
10 ALA -0.19 -0.01 1
12 GLN 0.62 -0.03 1
13 ASN 0.75 -0.23 1
14 THR 2.17 -0.24 1
15 PHE 3.55 -0.66 1
16 LEU 3.74 -0.83 1
17 ASP 3.86 -0.17 1
18 THR 5.58 -1.24 1
19 ILE 4.40 -1.87 1
20 ILE 5.93 -0.45 1
21 ARG 3.83 -0.78 1
22 LYS 3.16 -0.72 1
23 PHE 2.66 -0.76 1
24 GLU 1.52 0.15 1
26 GLN 0.80 -0.24 1
27 SER 2.18 -1.88 1
28 ARG -1.27 0.88 1
29 LYS 0.48 -0.40 1
30 PHE -4.48 3.06 1
31 ILE -5.15 2.54 1
32 ILE -2.58 1.54 1
33 ALA -8.75 5.94 1
34 ASN -0.26 -0.22 1
35 ALA -1.53 1.32 1
36 ARG 1.47 -1.19 1
37 VAL -2.41 0.80 1
38 GLU 2.58 -0.52 1
39 ASN 1.08 -1.22 1
41 ALA -1.98 1.44 1
42 VAL 3.43 -0.53 1
43 ILE -0.80 0.91 1
44 TYR -1.98 3.35 1
46 ASN -2.97 0.53 1
47 ASP 5.72 -1.97 1
49 PHE 5.67 -0.42 1
51 GLU 1.86 -0.19 1
52 LEU 3.22 -0.75 1
55 TYR -0.85 0.56 1
56 SER -3.01 1.83 1
57 ARG 6.11 -1.52 1
58 ALA 2.80 -0.74 1
59 GLU -0.20 1.14 1
60 VAL 1.19 0.80 1
61 MET 2.05 -1.19 1
62 GLN 4.25 -2.34 1
63 ARG 1.44 -1.15 1
66 THR 3.35 -2.23 1
68 ASP 3.17 -1.76 1
69 PHE 1.46 -2.55 1
70 LEU 0.30 -1.45 1
71 HIS -3.09 3.37 1
74 ARG 1.35 -0.65 1
75 THR 4.17 -1.57 1
76 GLN 1.71 -1.01 1
77 ARG 4.78 -1.85 1
78 ARG 4.40 -1.31 1
79 ALA 2.76 -0.67 1
80 ALA 4.12 -1.67 1
81 ALA 3.58 -1.38 1
82 GLN 3.51 -0.02 1
83 ILE 6.30 -1.12 1
84 ALA 4.49 -1.67 1
85 GLN 3.24 -1.00 1
86 ALA 3.15 -1.27 1
87 LEU 2.37 -2.06 1
88 LEU 0.18 -0.33 1
90 ALA -1.85 0.32 1
91 GLU -5.78 3.47 1
92 GLU -0.46 -0.19 1
93 ARG -5.84 4.13 1
94 LYS -3.22 1.93 1
95 VAL -4.58 3.79 1
96 GLU -2.86 1.46 1
97 ILE -4.75 3.86 1
98 ALA -1.46 -0.41 1
99 PHE -2.83 1.54 1
100 TYR -0.53 0.14 1
101 ARG 4.85 -1.39 1
102 LYS 0.99 -1.57 1
103 ASP 0.19 -0.22 1
105 SER -4.46 1.74 1
107 PHE -1.73 0.58 1
108 LEU -2.36 0.88 1
110 LEU -2.08 0.47 1
111 VAL -3.48 1.90 1
112 ASP 1.15 -0.77 1
113 VAL -2.30 2.10 1
114 VAL -0.34 0.13 1
116 VAL -4.54 2.63 1
117 LYS -2.64 -0.16 1
118 ASN 4.04 -1.04 1
119 GLU -0.17 0.26 1
120 ASP -1.66 0.10 1
122 ALA 3.24 -1.86 1
123 VAL -0.92 1.08 1
125 MET -4.51 4.47 1
126 PHE -2.40 1.21 1
127 ILE 0.20 0.60 1
128 LEU -5.04 3.77 1
129 ASN -2.16 2.07 1
130 PHE -5.04 3.01 1
131 GLU 2.57 -0.86 1
132 VAL 0.18 0.21 1
133 VAL -1.39 0.94 1
134 MET -0.50 0.50 1
135 GLU 0.14 0.60 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17066_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.75
_LACS_plot.Line_1_terminator_val_y_1 0.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.21
_LACS_plot.Line_2_terminator_val_x_2 6.29
_LACS_plot.Line_2_terminator_val_y_2 -0.70
_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
127 ILE 0.20 1.14 0
30 PHE -4.48 1.61 0
10 ALA -0.19 -0.09 1
12 GLN 0.62 -0.11 1
13 ASN 0.75 -0.03 1
14 THR 2.17 -0.16 1
15 PHE 3.55 -0.32 1
16 LEU 3.74 -0.60 1
17 ASP 3.86 -0.47 1
18 THR 5.58 -0.58 1
19 ILE 4.40 -0.59 1
20 ILE 5.93 -0.81 1
21 ARG 3.83 -0.36 1
22 LYS 3.16 -0.41 1
23 PHE 2.66 -0.52 1
24 GLU 1.52 0.19 1
26 GLN 0.80 0.00 1
27 SER 2.18 -0.10 1
28 ARG -1.27 0.23 1
29 LYS 0.48 0.80 1
31 ILE -5.15 0.70 1
32 ILE -2.58 1.01 1
33 ALA -8.75 0.99 1
34 ASN -0.26 -0.04 1
35 ALA -1.53 0.39 1
36 ARG 1.47 0.02 1
37 VAL -2.41 0.31 1
38 GLU 2.58 -0.35 1
39 ASN 1.08 -0.20 1
41 ALA -1.98 -0.28 1
42 VAL 3.43 -0.24 1
43 ILE -0.80 0.45 1
44 TYR -1.98 0.03 1
46 ASN -2.97 -0.31 1
47 ASP 5.72 -0.40 1
49 PHE 5.67 -0.78 1
51 GLU 1.86 -0.54 1
52 LEU 3.22 -0.48 1
55 TYR -0.85 -0.23 1
56 SER -3.01 -0.14 1
57 ARG 6.11 -0.73 1
58 ALA 2.80 -0.37 1
59 GLU -0.20 -0.40 1
60 VAL 1.19 -0.82 1
61 MET 2.05 -0.67 1
62 GLN 4.25 -0.53 1
63 ARG 1.44 -0.09 1
66 THR 3.35 -0.65 1
69 PHE 1.46 -0.26 1
70 LEU 0.30 0.16 1
71 HIS -3.09 0.50 1
74 ARG 1.35 -0.14 1
75 THR 4.17 -0.38 1
76 GLN 1.71 -0.11 1
77 ARG 4.78 -0.44 1
78 ARG 4.40 -0.29 1
79 ALA 2.76 -0.12 1
80 ALA 4.12 -0.52 1
81 ALA 3.58 -0.15 1
82 GLN 3.51 -0.36 1
83 ILE 6.30 -0.82 1
84 ALA 4.49 -0.57 1
85 GLN 3.24 -0.46 1
86 ALA 3.15 -0.29 1
87 LEU 2.37 -0.92 1
88 LEU 0.18 0.02 1
90 ALA -1.85 0.13 1
91 GLU -5.78 0.31 1
92 GLU -0.46 0.67 1
93 ARG -5.84 0.31 1
94 LYS -3.22 1.26 1
95 VAL -4.58 0.05 1
96 GLU -2.86 0.87 1
97 ILE -4.75 -0.01 1
98 ALA -1.46 0.32 1
99 PHE -2.83 0.74 1
100 TYR -0.53 0.45 1
101 ARG 4.85 -0.55 1
102 LYS 0.99 -0.37 1
103 ASP 0.19 -0.23 1
105 SER -4.46 0.34 1
107 PHE -1.73 0.07 1
108 LEU -2.36 0.55 1
110 LEU -2.08 0.46 1
111 VAL -3.48 0.60 1
112 ASP 1.15 0.16 1
113 VAL -2.30 0.13 1
114 VAL -0.34 -0.07 1
116 VAL -4.54 0.93 1
117 LYS -2.64 -0.08 1
118 ASN 4.04 -0.37 1
119 GLU -0.17 0.03 1
120 ASP -1.66 -0.02 1
122 ALA 3.24 -0.39 1
123 VAL -0.92 0.24 1
124 ILE -6.76 0.65 1
125 MET -4.51 0.51 1
126 PHE -2.40 0.59 1
128 LEU -5.04 0.79 1
129 ASN -2.16 0.42 1
130 PHE -5.04 0.51 1
131 GLU 2.57 0.14 1
132 VAL 0.18 -0.07 1
133 VAL -1.39 0.05 1
134 MET -0.50 -0.06 1
135 GLU 0.14 -0.15 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17066_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.75
_LACS_plot.Line_1_terminator_val_y_1 -3.31
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.40
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.00
_LACS_plot.Line_2_terminator_val_x_2 6.29
_LACS_plot.Line_2_terminator_val_y_2 1.83
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
33 ALA -8.75 -1.31 0
135 GLU 0.14 4.36 0
97 ILE -4.75 -6.09 0
10 ALA -0.19 -0.40 1
12 GLN 0.62 0.00 1
13 ASN 0.75 0.36 1
14 THR 2.17 1.14 1
15 PHE 3.55 1.76 1
16 LEU 3.74 -0.10 1
17 ASP 3.86 2.07 1
18 THR 5.58 1.46 1
19 ILE 4.40 1.08 1
20 ILE 5.93 1.66 1
21 ARG 3.83 2.72 1
22 LYS 3.16 1.34 1
23 PHE 2.66 0.95 1
24 GLU 1.52 1.77 1
26 GLN 0.80 -0.22 1
27 SER 2.18 -0.04 1
28 ARG -1.27 0.81 1
29 LYS 0.48 -3.05 1
30 PHE -4.48 -4.11 1
31 ILE -5.15 -2.22 1
32 ILE -2.58 -2.18 1
34 ASN -0.26 -1.27 1
35 ALA -1.53 -0.26 1
36 ARG 1.47 -0.10 1
37 VAL -2.41 0.51 1
38 GLU 2.58 -0.11 1
39 ASN 1.08 -0.76 1
41 ALA -1.98 -0.10 1
42 VAL 3.43 0.86 1
43 ILE -0.80 -1.07 1
44 TYR -1.98 -3.16 1
46 ASN -2.97 -1.14 1
47 ASP 5.72 2.90 1
49 PHE 5.67 0.77 1
51 GLU 1.86 1.49 1
52 LEU 3.22 -1.50 1
55 TYR -0.85 -1.88 1
56 SER -3.01 0.65 1
57 ARG 6.11 1.67 1
58 ALA 2.80 1.82 1
59 GLU -0.20 -0.88 1
60 VAL 1.19 -0.60 1
61 MET 2.05 0.59 1
62 GLN 4.25 -0.89 1
63 ARG 1.44 -0.72 1
66 THR 3.35 0.05 1
68 ASP 3.17 0.89 1
69 PHE 1.46 -0.37 1
70 LEU 0.30 -0.91 1
71 HIS -3.09 2.20 1
74 ARG 1.35 0.23 1
75 THR 4.17 -0.24 1
76 GLN 1.71 0.91 1
78 ARG 4.40 1.70 1
79 ALA 2.76 1.12 1
80 ALA 4.12 3.28 1
81 ALA 3.58 2.17 1
82 GLN 3.51 3.63 1
83 ILE 6.30 -0.14 1
84 ALA 4.49 2.86 1
85 GLN 3.24 3.18 1
86 ALA 3.15 1.95 1
87 LEU 2.37 -0.32 1
88 LEU 0.18 0.61 1
90 ALA -1.85 -2.08 1
91 GLU -5.78 -1.53 1
92 GLU -0.46 0.05 1
93 ARG -5.84 -2.97 1
94 LYS -3.22 -0.22 1
95 VAL -4.58 -2.75 1
96 GLU -2.86 -1.31 1
98 ALA -1.46 -3.24 1
99 PHE -2.83 1.62 1
100 TYR -0.53 1.99 1
101 ARG 4.85 0.84 1
102 LYS 0.99 0.92 1
103 ASP 0.19 -2.47 1
105 SER -4.46 -4.23 1
107 PHE -1.73 -2.11 1
108 LEU -2.36 -1.60 1
110 LEU -2.08 -1.70 1
111 VAL -3.48 -1.60 1
112 ASP 1.15 -1.41 1
113 VAL -0.34 -1.49 1
116 VAL -4.54 0.31 1
117 LYS -2.64 2.36 1
118 ASN 4.04 0.27 1
119 GLU -0.17 0.21 1
120 ASP -1.66 -0.75 1
122 ALA 3.24 -0.02 1
123 VAL -0.92 0.03 1
124 ILE -6.76 -3.80 1
125 MET -4.51 -1.26 1
126 PHE -2.40 -1.29 1
127 ILE 0.20 -3.26 1
128 LEU -5.04 -1.06 1
129 ASN -2.16 -0.53 1
130 PHE -5.04 -1.61 1
131 GLU 2.57 -0.14 1
132 VAL 0.18 -0.74 1
133 VAL -1.39 -1.05 1
134 MET -0.50 -1.21 1
stop_
save_