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 bmr16772_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.77
_LACS_plot.Line_1_terminator_val_y_1 -1.85
_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 -1.16
_LACS_plot.Line_2_terminator_val_x_2 8.37
_LACS_plot.Line_2_terminator_val_y_2 7.14
_LACS_plot.Y_axis_chem_shift_offset -0.41
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 THR 8.38 7.95 0
10 THR -0.55 0.93 1
11 GLU -3.97 -0.69 1
13 ASP -3.92 -0.87 1
14 ASN 1.37 0.94 1
16 THR -5.91 -1.89 1
17 VAL -1.63 -0.22 1
18 PHE -3.93 -1.51 1
19 ASP -3.74 -0.80 1
20 SER 2.53 2.69 1
21 GLN 3.49 2.91 1
22 ALA -0.74 0.11 1
24 PHE -5.55 -2.97 1
25 SER -2.81 -0.97 1
26 PHE -3.31 -0.62 1
27 ASP -1.89 -0.41 1
28 LEU 0.38 -0.57 1
31 LEU 1.60 1.16 1
32 THR 4.57 4.30 1
33 LYS -4.67 -0.60 1
34 LYS 3.02 2.82 1
35 ASP 0.08 0.10 1
36 ALA -1.36 1.02 1
37 TYR 0.04 0.54 1
38 LYS -2.44 -0.78 1
39 VAL -2.64 -0.45 1
40 GLU -3.46 -0.21 1
41 THR -4.16 -1.73 1
42 ASP 3.95 3.80 1
43 LYS -1.55 1.01 1
44 TYR -5.98 -1.13 1
45 GLU -4.44 -1.33 1
46 PHE -2.96 -0.60 1
47 HIS -5.15 0.13 1
48 ILE -6.32 -1.25 1
49 ASN -5.63 -2.90 1
50 VAL -0.23 1.03 1
54 VAL -1.90 -1.11 1
55 SER -1.21 -1.27 1
56 VAL -3.59 -0.98 1
58 ALA -0.86 0.05 1
62 ASP 0.23 -0.49 1
63 SER -1.11 0.57 1
65 ALA -5.22 -0.93 1
67 GLN -5.63 -1.50 1
68 VAL -4.09 -1.11 1
69 SER -0.32 0.07 1
70 ARG 3.29 3.38 1
71 SER 2.31 2.13 1
72 ASP -1.65 -0.57 1
73 ARG 5.30 1.06 1
74 LYS 0.12 0.99 1
75 SER -6.76 -2.14 1
76 TRP -2.62 1.19 1
77 ASN -0.17 0.13 1
78 LEU 0.50 -1.00 1
80 ARG 0.39 0.70 1
81 SER 1.40 1.72 1
82 ASN -1.92 0.69 1
83 ALA -2.82 -1.73 1
84 LYS 1.15 -0.17 1
85 LEU -2.85 -0.65 1
86 SER -3.53 -0.78 1
87 TYR -5.02 -1.07 1
88 TYR -1.95 0.15 1
89 ASP -0.98 1.00 1
91 MET -3.81 -0.77 1
92 ILE -3.12 -1.26 1
93 GLN -5.73 -0.99 1
94 LEU -6.77 -0.68 1
95 THR -2.61 -1.02 1
96 TYR -5.06 -4.55 1
97 ARG -4.24 -0.78 1
98 ASP 4.03 2.47 1
100 THR 1.58 3.42 1
103 ASN 1.23 0.13 1
104 ASN -1.14 -0.74 1
105 GLU 2.99 3.06 1
106 LYS 0.66 0.57 1
107 ARG 2.19 0.19 1
108 THR 1.26 2.13 1
110 ARG -0.22 2.00 1
111 ALA -5.95 -1.04 1
112 THR -2.12 1.33 1
113 LEU -3.92 -0.93 1
114 ILE -1.59 -0.27 1
115 THR -0.35 0.57 1
116 PHE -2.06 -1.28 1
117 LEU -6.32 -2.15 1
119 ASP 3.90 3.52 1
120 ARG -2.96 -0.81 1
124 VAL 5.17 5.73 1
128 GLU -5.44 -1.77 1
129 TYR 0.30 0.48 1
130 GLN -1.06 0.08 1
131 GLU -0.16 0.48 1
132 GLU -0.35 0.62 1
134 ASN 2.01 1.58 1
135 SER 2.17 2.05 1
136 THR -1.42 0.06 1
137 TYR 0.47 0.93 1
138 ASN -2.64 0.33 1
139 PHE -4.74 -1.18 1
140 ARG -4.09 -1.09 1
141 TRP -3.91 -1.57 1
142 TYR 1.05 1.17 1
143 THR -2.85 -1.99 1
144 SER 3.51 3.84 1
145 TYR 4.50 3.32 1
146 ALA -1.08 -1.52 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16772_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.77
_LACS_plot.Line_1_terminator_val_y_1 4.92
_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 0.84
_LACS_plot.Line_2_terminator_val_x_2 8.37
_LACS_plot.Line_2_terminator_val_y_2 -1.23
_LACS_plot.Y_axis_chem_shift_offset -0.41
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 THR 8.38 -0.43 0
10 THR -0.55 1.48 1
11 GLU -3.97 3.28 1
13 ASP -3.92 3.05 1
14 ASN 1.37 -0.43 1
16 THR -5.91 4.02 1
17 VAL -1.63 1.41 1
18 PHE -3.93 2.42 1
19 ASP -3.74 2.94 1
20 SER 2.53 0.16 1
21 GLN 3.49 -0.58 1
22 ALA -0.74 0.85 1
24 PHE -5.55 2.58 1
25 SER -2.81 1.84 1
26 PHE -3.31 2.69 1
27 ASP -1.89 1.48 1
28 LEU 0.38 -0.95 1
31 LEU 1.60 -0.44 1
32 THR 4.57 -0.27 1
33 LYS -4.67 4.07 1
34 LYS 3.02 -0.20 1
35 ASP 0.08 0.02 1
36 ALA -1.36 2.38 1
37 TYR 0.04 0.50 1
38 LYS -2.44 1.66 1
39 VAL -2.64 2.19 1
40 GLU -3.46 3.25 1
41 THR -4.16 2.43 1
42 ASP 3.95 -0.15 1
43 LYS -1.55 2.56 1
44 TYR -5.98 4.85 1
45 GLU -4.44 3.11 1
46 PHE -2.96 2.36 1
47 HIS -5.15 5.28 1
48 ILE -6.32 5.07 1
49 ASN -5.63 2.73 1
50 VAL -0.23 1.26 1
54 VAL -1.90 0.79 1
55 SER -1.21 -0.06 1
56 VAL -3.59 2.61 1
58 ALA -0.86 0.91 1
62 ASP 0.23 -0.72 1
63 SER -1.11 1.68 1
65 ALA -5.22 4.29 1
67 GLN -5.63 4.13 1
68 VAL -4.09 2.98 1
69 SER -0.32 0.39 1
70 ARG 3.29 0.09 1
71 SER 2.31 -0.18 1
72 ASP -1.65 1.08 1
73 ARG 5.30 -4.24 1
74 LYS 0.12 0.87 1
75 SER -6.76 4.62 1
76 TRP -2.62 3.81 1
77 ASN -0.17 0.30 1
78 LEU 0.50 -1.50 1
80 ARG 0.39 0.31 1
81 SER 1.40 0.32 1
82 ASN -1.92 2.61 1
83 ALA -2.82 1.09 1
84 LYS 1.15 -1.32 1
85 LEU -2.85 2.20 1
86 SER -3.53 2.75 1
87 TYR -5.02 3.95 1
88 TYR -1.95 2.10 1
89 ASP -0.98 1.98 1
91 MET -3.81 3.04 1
92 ILE -3.12 1.86 1
93 GLN -5.73 4.74 1
94 LEU -6.77 6.09 1
95 THR -2.61 1.59 1
96 TYR -5.06 0.51 1
97 ARG -4.24 3.46 1
98 ASP 4.03 -1.56 1
100 THR 1.58 1.84 1
103 ASN 1.23 -1.10 1
104 ASN -1.14 0.40 1
105 GLU 2.99 0.07 1
106 LYS 0.66 -0.09 1
107 ARG 2.19 -2.00 1
108 THR 1.26 0.87 1
110 ARG -0.22 2.22 1
111 ALA -5.95 4.91 1
112 THR -2.12 3.45 1
113 LEU -3.92 2.99 1
114 ILE -1.59 1.32 1
115 THR -0.35 0.92 1
116 PHE -2.06 0.78 1
117 LEU -6.32 4.17 1
119 ASP 3.90 -0.38 1
120 ARG -2.96 2.15 1
124 VAL 5.17 0.56 1
128 GLU -5.44 3.67 1
129 TYR 0.30 0.18 1
130 GLN -1.06 1.14 1
131 GLU -0.16 0.64 1
132 GLU -0.35 0.97 1
134 ASN 2.01 -0.43 1
135 SER 2.17 -0.12 1
136 THR -1.42 1.48 1
137 TYR 0.47 0.46 1
138 ASN -2.64 2.97 1
139 PHE -4.74 3.56 1
140 ARG -4.09 3.00 1
141 TRP -3.91 2.34 1
142 TYR 1.05 0.12 1
143 THR -2.85 0.86 1
144 SER 3.51 0.33 1
145 TYR 4.50 -1.18 1
146 ALA -1.08 -0.44 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16772_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.77
_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 -0.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.40
_LACS_plot.Line_2_terminator_val_x_2 8.37
_LACS_plot.Line_2_terminator_val_y_2 -0.79
_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
81 SER 1.40 -1.55 0
10 THR -0.55 0.34 1
11 GLU -3.97 0.82 1
13 ASP -3.92 0.58 1
14 ASN 1.37 -0.21 1
16 THR -5.91 1.01 1
17 VAL -1.63 0.49 1
18 PHE -3.93 0.62 1
19 ASP -3.74 0.10 1
20 SER 2.53 -0.38 1
21 GLN 3.49 -0.11 1
22 ALA -0.74 -0.12 1
24 PHE -5.55 0.35 1
25 SER -2.81 0.45 1
26 PHE -3.31 0.36 1
27 ASP -1.89 0.43 1
28 LEU 0.38 0.01 1
29 THR 8.38 -0.51 1
31 LEU 1.60 -0.09 1
32 THR 4.57 -0.08 1
33 LYS -4.67 0.47 1
34 LYS 3.02 -0.12 1
35 ASP 0.08 0.15 1
36 ALA -1.36 -0.18 1
37 TYR 0.04 0.10 1
38 LYS -2.44 0.95 1
39 VAL -2.64 0.43 1
40 GLU -3.46 0.82 1
41 THR -4.16 0.74 1
42 ASP 3.95 -0.25 1
43 LYS -1.55 0.00 1
44 TYR -5.98 1.01 1
45 GLU -4.44 0.60 1
46 PHE -2.96 0.98 1
47 HIS -5.15 0.83 1
48 ILE -6.32 1.08 1
49 ASN -5.63 0.94 1
50 VAL -0.23 -0.25 1
54 VAL -1.90 0.42 1
55 SER -1.21 0.24 1
56 VAL -3.59 0.06 1
58 ALA -0.86 0.00 1
62 ASP 0.23 -0.14 1
63 SER -1.11 0.11 1
65 ALA -5.22 1.11 1
67 GLN -5.63 0.68 1
68 VAL -4.09 0.85 1
69 SER -0.32 0.46 1
70 ARG 3.29 -0.20 1
71 SER 2.31 -0.08 1
72 ASP -1.65 0.12 1
73 ARG 5.30 -0.21 1
74 LYS 0.12 -0.23 1
75 SER -6.76 1.21 1
76 TRP -2.62 0.06 1
77 ASN -0.17 0.18 1
78 LEU 0.50 -0.09 1
80 ARG 0.39 0.24 1
82 ASN -1.92 -0.02 1
83 ALA -2.82 0.78 1
84 LYS 1.15 0.49 1
85 LEU -2.85 0.47 1
86 SER -3.53 0.97 1
87 TYR -5.02 0.94 1
88 TYR -1.95 -0.13 1
89 ASP -0.98 -0.58 1
91 MET -3.81 0.37 1
92 ILE -3.12 1.08 1
93 GLN -5.73 1.54 1
94 LEU -6.77 0.42 1
95 THR -2.61 1.08 1
96 TYR -5.06 0.72 1
97 ARG -4.24 0.82 1
98 ASP 4.03 -0.26 1
100 THR 1.58 -0.07 1
103 ASN 1.23 0.23 1
104 ASN -1.14 0.12 1
105 GLU 2.99 -0.15 1
106 LYS 0.66 0.01 1
107 ARG 2.19 0.12 1
108 THR 1.26 -0.18 1
110 ARG -0.22 0.23 1
111 ALA -5.95 1.17 1
112 THR -2.12 1.07 1
113 LEU -3.92 0.87 1
114 ILE -1.59 0.51 1
115 THR -0.35 0.45 1
116 PHE -2.06 0.88 1
117 LEU -6.32 0.52 1
119 ASP 3.90 -0.24 1
120 ARG -2.96 -0.28 1
124 VAL 5.17 -0.23 1
128 GLU -5.44 0.49 1
129 TYR 0.30 -0.49 1
130 GLN -1.06 -0.08 1
131 GLU -0.16 -0.51 1
132 GLU -0.35 -0.10 1
134 ASN 2.01 -0.37 1
135 SER 2.17 -0.26 1
136 THR -1.42 0.70 1
137 TYR 0.47 -0.11 1
138 ASN -2.64 0.90 1
139 PHE -4.74 0.64 1
140 ARG -4.09 0.76 1
141 TRP -3.91 0.29 1
142 TYR 1.05 0.81 1
143 THR -2.85 0.88 1
144 SER 3.51 0.10 1
145 TYR 4.50 -0.23 1
146 ALA -1.08 0.14 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16772_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.77
_LACS_plot.Line_1_terminator_val_y_1 -1.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.63
_LACS_plot.Line_2_terminator_val_x_2 5.30
_LACS_plot.Line_2_terminator_val_y_2 0.28
_LACS_plot.Y_axis_chem_shift_offset 0.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
17 VAL -1.63 -4.42 0
10 THR -0.55 -1.28 1
11 GLU -3.97 0.10 1
13 ASP -3.92 0.19 1
14 ASN 1.37 -0.86 1
16 THR -5.91 -1.91 1
18 PHE -3.93 -1.77 1
19 ASP -3.74 0.09 1
20 SER 2.53 1.35 1
21 GLN 3.49 1.36 1
22 ALA -0.74 0.62 1
24 PHE -5.55 -1.54 1
25 SER -2.81 -1.93 1
26 PHE -3.31 -0.61 1
27 ASP -1.89 -0.98 1
28 LEU 0.38 -0.60 1
31 LEU 1.60 1.63 1
32 THR 4.57 0.21 1
33 LYS -4.67 0.70 1
34 LYS 3.02 0.37 1
35 ASP 0.08 -1.66 1
36 ALA -1.36 -1.66 1
37 TYR 0.04 -0.89 1
38 LYS -2.44 -0.83 1
39 VAL -2.64 -1.06 1
40 GLU -3.46 -0.05 1
41 THR -4.16 -0.36 1
42 ASP 3.95 1.67 1
43 LYS -1.55 0.55 1
44 TYR -5.98 0.23 1
45 GLU -4.44 -1.30 1
46 PHE -2.96 -1.25 1
47 HIS -5.15 1.39 1
48 ILE -6.32 -2.71 1
49 ASN -5.63 -0.45 1
50 VAL -0.23 -1.77 1
54 VAL -1.90 -0.13 1
55 SER -1.21 -0.76 1
56 VAL -3.59 0.10 1
58 ALA -0.86 0.22 1
62 ASP 0.23 -0.34 1
63 SER -1.11 0.34 1
65 ALA -5.22 -2.87 1
67 GLN -5.63 -2.34 1
68 VAL -4.09 0.80 1
69 SER -0.32 1.78 1
70 ARG 3.29 1.39 1
71 SER 2.31 1.33 1
72 ASP -1.65 0.05 1
73 ARG 5.30 -0.47 1
74 LYS 0.12 -1.82 1
75 SER -6.76 -1.18 1
76 TRP -2.62 -1.67 1
77 ASN -0.17 0.57 1
78 LEU 0.50 1.32 1
80 ARG 0.39 1.12 1
81 SER 1.40 -1.22 1
82 ASN -1.92 -3.26 1
83 ALA -2.82 -0.64 1
84 LYS 1.15 -0.76 1
85 LEU -2.85 -1.19 1
86 SER -3.53 -1.42 1
87 TYR -5.02 -1.31 1
88 TYR -1.95 -0.34 1
89 ASP -0.98 -0.94 1
91 MET -3.81 -2.32 1
92 ILE -3.12 -0.72 1
93 GLN -5.73 -0.82 1
94 LEU -6.77 -3.16 1
95 THR -2.61 -0.48 1
96 TYR -5.06 -0.63 1
97 ARG -4.24 -0.01 1
98 ASP 4.03 -0.30 1
103 ASN 1.23 -0.08 1
104 ASN -1.14 1.08 1
105 GLU 2.99 1.15 1
106 LYS 0.66 -0.29 1
107 ARG 2.19 -0.10 1
110 ARG -0.22 -2.26 1
111 ALA -5.95 -0.43 1
112 THR -2.12 -2.22 1
113 LEU -3.92 -2.00 1
114 ILE -1.59 -1.47 1
115 THR -0.35 -1.94 1
116 PHE -2.06 -0.92 1
117 LEU -6.32 -1.25 1
119 ASP 3.90 -2.21 1
120 ARG -2.96 -0.15 1
124 VAL 5.17 1.00 1
128 GLU -5.44 0.29 1
129 TYR 0.30 -0.89 1
130 GLN -1.06 -2.28 1
132 GLU -0.35 -0.17 1
134 ASN 2.01 0.05 1
135 SER 2.17 -1.37 1
136 THR -1.42 -1.35 1
137 TYR 0.47 -1.44 1
138 ASN -2.64 -1.31 1
139 PHE -4.74 -1.19 1
140 ARG -4.09 -1.18 1
141 TRP -3.91 -0.62 1
142 TYR 1.05 0.42 1
143 THR -2.85 0.24 1
144 SER 3.51 2.80 1
145 TYR 4.50 -1.80 1
146 ALA -1.08 -3.61 1
stop_
save_