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 bmr17576_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.03
_LACS_plot.Line_1_terminator_val_y_1 -2.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.86
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.10
_LACS_plot.Line_2_terminator_val_x_2 6.13
_LACS_plot.Line_2_terminator_val_y_2 3.30
_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
55 PHE 2.98 -1.98 0
145 TYR 2.21 -2.85 0
10 PHE -3.86 -1.07 1
11 TYR -1.99 -1.10 1
12 GLU 0.58 2.41 1
13 ASP -4.36 -1.58 1
14 LYS -0.16 0.69 1
15 ASN 3.50 1.33 1
16 PHE 2.97 -1.75 1
17 GLN -4.72 -2.14 1
19 ARG 1.81 2.12 1
20 ARG -6.94 -2.91 1
21 TYR -3.61 0.18 1
22 ASP -4.27 -1.46 1
24 ASP -2.09 -1.52 1
26 ASP 2.58 2.00 1
28 ALA 2.09 1.76 1
29 ASP 0.77 0.42 1
30 PHE 0.21 -1.82 1
31 HIS 5.67 3.93 1
32 THR 3.50 1.67 1
33 TYR -0.57 0.29 1
34 LEU -3.22 -0.01 1
35 SER 1.10 1.72 1
36 ARG -1.37 -1.21 1
38 ASN -4.53 0.25 1
39 SER 0.89 1.76 1
40 ILE -7.00 -0.35 1
41 LYS -2.32 0.60 1
42 VAL 0.06 0.20 1
43 GLU -0.87 0.46 1
46 THR 0.42 0.44 1
47 TRP -3.99 -1.15 1
48 ALA -3.78 -2.04 1
49 VAL -4.13 -3.06 1
50 TYR -2.57 -1.13 1
51 GLU -2.00 1.65 1
52 ARG -1.15 -0.48 1
54 ASN 3.56 0.99 1
56 ALA -5.56 -2.23 1
58 TYR 0.80 1.49 1
60 TYR -4.75 -2.58 1
61 ILE 0.30 -2.15 1
62 LEU -3.19 -0.01 1
64 GLN 2.04 1.89 1
66 GLU -2.93 -0.74 1
67 TYR -2.52 -0.73 1
69 GLU -5.02 -2.04 1
70 TYR 0.60 0.27 1
71 GLN 6.14 3.75 1
72 ARG 1.76 0.34 1
73 TRP 1.20 -0.68 1
74 MET 4.62 1.11 1
76 LEU 0.18 0.75 1
77 ASN -0.67 -1.84 1
78 ASP -0.12 -1.86 1
79 ARG -0.05 -0.45 1
80 LEU -5.91 -0.19 1
81 SER -3.25 -0.42 1
82 SER -1.27 0.81 1
84 ARG -4.23 -0.84 1
85 ALA 0.74 -0.98 1
86 VAL 1.11 -0.02 1
87 HIS -0.36 -0.88 1
88 LEU -0.02 -0.57 1
90 SER 1.13 0.80 1
93 GLN -1.50 -0.69 1
94 TYR -3.56 -1.47 1
95 LYS -0.15 1.86 1
96 ILE -5.88 -1.80 1
97 GLN -3.84 -2.11 1
98 ILE -3.27 -1.38 1
99 PHE -2.73 -0.87 1
100 GLU -1.79 1.45 1
101 LYS -4.70 -2.09 1
103 ASP 3.89 1.78 1
104 PHE 1.66 -2.51 1
105 SER -3.12 -1.27 1
107 GLN 1.39 1.49 1
108 MET -4.91 -2.45 1
109 TYR -3.60 -0.37 1
110 GLU -6.84 -2.68 1
111 THR -2.96 -2.11 1
112 THR -1.19 -0.70 1
113 GLU -6.01 -2.15 1
114 ASP 1.70 1.64 1
117 SER -0.10 -1.37 1
118 ILE 4.02 3.81 1
119 MET 4.55 3.14 1
120 GLU 2.46 2.24 1
121 GLN 1.90 2.20 1
122 PHE -2.12 -1.32 1
123 HIS 4.21 1.24 1
124 MET -5.41 -0.52 1
125 ARG -0.42 0.68 1
126 GLU -7.03 -2.32 1
127 ILE -1.67 0.08 1
128 HIS -1.50 1.67 1
129 SER 0.41 1.39 1
133 LEU 2.43 2.06 1
134 GLU -4.33 -1.18 1
136 VAL -2.05 -0.08 1
137 TRP -5.13 -1.88 1
139 PHE -6.06 -4.63 1
140 TYR -2.46 -1.49 1
141 GLU -1.11 2.52 1
142 LEU -1.24 -0.97 1
144 ASN 3.28 1.07 1
146 ARG -5.52 -2.27 1
148 ARG 1.80 1.68 1
149 GLN -4.92 -1.86 1
150 TYR -4.06 -1.68 1
151 LEU -2.27 -0.16 1
156 GLU 1.13 0.72 1
157 TYR -4.95 -1.33 1
158 ARG 3.39 3.74 1
159 LYS -2.26 -0.93 1
161 ILE 0.92 -0.24 1
162 ASP 3.02 3.14 1
163 TRP 2.42 -0.19 1
165 ALA -4.89 -1.05 1
166 ALA -0.98 -0.73 1
167 SER -2.74 -1.05 1
169 ALA 2.02 1.34 1
170 VAL -2.80 0.18 1
171 GLN -4.68 -0.20 1
172 SER -1.20 0.83 1
173 PHE -4.67 -0.85 1
174 ARG -4.76 -1.32 1
175 ARG -0.27 -1.30 1
176 ILE 3.72 1.14 1
177 VAL -2.05 -1.23 1
178 GLU -0.32 1.14 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17576_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.03
_LACS_plot.Line_1_terminator_val_y_1 4.73
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.90
_LACS_plot.Line_2_terminator_val_x_2 6.13
_LACS_plot.Line_2_terminator_val_y_2 -2.83
_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
55 PHE 2.98 -4.96 0
145 TYR 2.21 -5.06 0
10 PHE -3.86 2.79 1
11 TYR -1.99 0.89 1
12 GLU 0.58 1.83 1
13 ASP -4.36 2.78 1
14 LYS -0.16 0.85 1
15 ASN 3.50 -2.17 1
16 PHE 2.97 -4.72 1
17 GLN -4.72 2.58 1
19 ARG 1.81 0.31 1
20 ARG -6.94 4.03 1
21 TYR -3.61 3.79 1
22 ASP -4.27 2.81 1
24 ASP -2.09 0.57 1
26 ASP 2.58 -0.58 1
28 ALA 2.09 -0.33 1
29 ASP 0.77 -0.35 1
30 PHE 0.21 -2.03 1
31 HIS 5.67 -1.74 1
32 THR 3.50 -1.83 1
33 TYR -0.57 0.86 1
34 LEU -3.22 3.21 1
35 SER 1.10 0.62 1
36 ARG -1.37 0.16 1
38 ASN -4.53 4.78 1
39 SER 0.89 0.87 1
40 ILE -7.00 6.65 1
41 LYS -2.32 2.92 1
42 VAL 0.06 0.14 1
43 GLU -0.87 1.33 1
46 THR 0.42 0.02 1
47 TRP -3.99 2.84 1
48 ALA -3.78 1.74 1
49 VAL -4.13 1.07 1
50 TYR -2.57 1.44 1
51 GLU -2.00 3.65 1
52 ARG -1.15 0.67 1
54 ASN 3.56 -2.57 1
56 ALA -5.56 3.33 1
58 TYR 0.80 0.69 1
60 TYR -4.75 2.17 1
61 ILE 0.30 -2.45 1
62 LEU -3.19 3.18 1
64 GLN 2.04 -0.15 1
66 GLU -2.93 2.19 1
67 TYR -2.52 1.79 1
69 GLU -5.02 2.98 1
70 TYR 0.60 -0.33 1
71 GLN 6.14 -2.39 1
72 ARG 1.76 -1.42 1
73 TRP 1.20 -1.88 1
74 MET 4.62 -3.51 1
76 LEU 0.18 0.57 1
77 ASN -0.67 -1.17 1
78 ASP -0.12 -1.74 1
79 ARG -0.05 -0.40 1
80 LEU -5.91 5.72 1
81 SER -3.25 2.83 1
82 SER -1.27 2.08 1
84 ARG -4.23 3.39 1
85 ALA 0.74 -1.72 1
86 VAL 1.11 -1.13 1
87 HIS -0.36 -0.52 1
88 LEU -0.02 -0.55 1
90 SER 1.13 -0.33 1
93 GLN -1.50 0.81 1
94 TYR -3.56 2.09 1
95 LYS -0.15 2.01 1
96 ILE -5.88 4.08 1
97 GLN -3.84 1.73 1
98 ILE -3.27 1.89 1
99 PHE -2.73 1.86 1
100 GLU -1.79 3.24 1
101 LYS -4.70 2.61 1
103 ASP 3.89 -2.11 1
104 PHE 1.66 -4.17 1
105 SER -3.12 1.85 1
107 GLN 1.39 0.10 1
108 MET -4.91 2.46 1
109 TYR -3.60 3.23 1
110 GLU -6.84 4.16 1
111 THR -2.96 0.85 1
112 THR -1.19 0.49 1
113 GLU -6.01 3.86 1
114 ASP 1.70 -0.06 1
117 SER -0.10 -1.27 1
118 ILE 4.02 -0.21 1
119 MET 4.55 -1.41 1
120 GLU 2.46 -0.22 1
121 GLN 1.90 0.30 1
122 PHE -2.12 0.80 1
123 HIS 4.21 -2.97 1
124 MET -5.41 4.89 1
125 ARG -0.42 1.10 1
126 GLU -7.03 4.71 1
127 ILE -1.67 1.75 1
128 HIS -1.50 3.17 1
129 SER 0.41 0.98 1
133 LEU 2.43 -0.37 1
134 GLU -4.33 3.15 1
136 VAL -2.05 1.97 1
137 TRP -5.13 3.25 1
139 PHE -6.06 1.43 1
140 TYR -2.46 0.97 1
141 GLU -1.11 3.63 1
142 LEU -1.24 0.27 1
144 ASN 3.28 -2.21 1
146 ARG -5.52 3.25 1
148 ARG 1.80 -0.12 1
149 GLN -4.92 3.06 1
150 TYR -4.06 2.38 1
151 LEU -2.27 2.11 1
156 GLU 1.13 -0.41 1
157 TYR -4.95 3.62 1
158 ARG 3.39 0.35 1
159 LYS -2.26 1.33 1
161 ILE 0.92 -1.16 1
162 ASP 3.02 0.12 1
163 TRP 2.42 -2.61 1
165 ALA -4.89 3.84 1
166 ALA -0.98 0.25 1
167 SER -2.74 1.69 1
169 ALA 2.02 -0.68 1
170 VAL -2.80 2.98 1
171 GLN -4.68 4.48 1
172 SER -1.20 2.03 1
173 PHE -4.67 3.82 1
174 ARG -4.76 3.44 1
175 ARG -0.27 -1.03 1
176 ILE 3.72 -2.58 1
177 VAL -2.05 0.82 1
178 GLU -0.32 1.46 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17576_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.03
_LACS_plot.Line_1_terminator_val_y_1 0.85
_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 0.25
_LACS_plot.Line_2_terminator_val_x_2 6.13
_LACS_plot.Line_2_terminator_val_y_2 -0.63
_LACS_plot.Y_axis_chem_shift_offset -0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
70 TYR 0.60 -3.36 0
10 PHE -3.86 0.02 1
11 TYR -1.99 0.91 1
12 GLU 0.58 0.35 1
13 ASP -4.36 0.76 1
14 LYS -0.16 -0.45 1
15 ASN 3.50 -1.57 1
16 PHE 2.97 -1.77 1
17 GLN -4.72 0.29 1
19 ARG 1.81 -0.14 1
20 ARG -6.94 1.38 1
21 TYR -3.61 0.09 1
22 ASP -4.27 0.37 1
24 ASP -2.09 0.63 1
26 ASP 2.58 0.25 1
28 ALA 2.09 -0.66 1
29 ASP 0.77 0.24 1
30 PHE 0.21 0.44 1
31 HIS 5.67 0.14 1
32 THR 3.50 -0.69 1
33 TYR -0.57 -0.12 1
34 LEU -3.22 0.27 1
35 SER 1.10 0.03 1
36 ARG -1.37 0.45 1
38 ASN -4.53 0.55 1
39 SER 0.89 0.54 1
40 ILE -7.00 1.21 1
41 LYS -2.32 0.68 1
42 VAL 0.06 0.12 1
43 GLU -0.87 0.14 1
46 THR 0.42 0.52 1
47 TRP -3.99 0.17 1
48 ALA -3.78 0.86 1
49 VAL -4.13 1.23 1
50 TYR -2.57 1.04 1
51 GLU -2.00 0.40 1
52 ARG -1.15 -0.02 1
54 ASN 3.56 -1.51 1
55 PHE 2.98 -1.60 1
56 ALA -5.56 0.59 1
58 TYR 0.80 -0.33 1
60 TYR -4.75 0.09 1
61 ILE 0.30 0.81 1
62 LEU -3.19 0.37 1
64 GLN 2.04 -0.33 1
66 GLU -2.93 0.48 1
67 TYR -2.52 0.32 1
69 GLU -5.02 1.03 1
71 GLN 6.14 -0.52 1
72 ARG 1.76 0.04 1
73 TRP 1.20 0.66 1
74 MET 4.62 -0.46 1
76 LEU 0.18 -0.02 1
77 ASN -0.67 -1.14 1
78 ASP -0.12 -0.02 1
79 ARG -0.05 0.36 1
80 LEU -5.91 0.65 1
81 SER -3.25 -1.10 1
84 ARG -4.23 0.62 1
85 ALA 0.74 -1.10 1
86 VAL 1.11 -0.44 1
87 HIS -0.36 -0.07 1
88 LEU -0.02 -0.13 1
90 SER 1.13 -0.09 1
93 GLN -1.50 0.14 1
94 TYR -3.56 -0.05 1
95 LYS -0.15 0.69 1
96 ILE -5.88 0.32 1
97 GLN -3.84 0.82 1
98 ILE -3.27 0.59 1
99 PHE -2.73 0.87 1
100 GLU -1.79 0.01 1
101 LYS -4.70 0.18 1
103 ASP 3.89 -1.56 1
104 PHE 1.66 -2.04 1
105 SER -3.12 0.42 1
107 GLN 1.39 -0.47 1
108 MET -4.91 0.47 1
109 TYR -3.60 0.04 1
110 GLU -6.84 1.10 1
111 THR -2.96 0.89 1
112 THR -1.19 0.84 1
113 GLU -6.01 0.39 1
114 ASP 1.70 0.15 1
117 SER -0.10 0.44 1
118 ILE 4.02 -0.20 1
119 MET 4.55 -0.22 1
120 GLU 2.46 -0.46 1
121 GLN 1.90 -0.48 1
122 PHE -2.12 -0.25 1
123 HIS 4.21 0.10 1
124 MET -5.41 0.32 1
125 ARG -0.42 0.05 1
126 GLU -7.03 0.57 1
127 ILE -1.67 0.25 1
128 HIS -1.50 0.00 1
129 SER 0.41 0.17 1
133 LEU 2.43 -0.17 1
134 GLU -4.33 0.28 1
136 VAL -2.05 0.65 1
137 TRP -5.13 0.67 1
139 PHE -6.06 0.86 1
140 TYR -2.46 1.22 1
141 GLU -1.11 0.07 1
142 LEU -1.24 0.32 1
144 ASN 3.28 -1.58 1
145 TYR 2.21 -1.73 1
146 ARG -5.52 0.52 1
148 ARG 1.80 -0.26 1
149 GLN -4.92 0.55 1
150 TYR -4.06 0.39 1
151 LEU -2.27 0.24 1
156 GLU 1.13 -0.40 1
157 TYR -4.95 0.09 1
158 ARG 3.39 -0.96 1
159 LYS -2.26 0.67 1
161 ILE 0.92 0.02 1
162 ASP 3.02 -0.04 1
163 TRP 2.42 0.67 1
165 ALA -4.89 0.18 1
166 ALA -0.98 -0.11 1
167 SER -2.74 0.15 1
169 ALA 2.02 0.16 1
170 VAL -2.80 0.35 1
171 GLN -4.68 0.42 1
172 SER -1.20 0.09 1
173 PHE -4.67 1.75 1
174 ARG -4.76 0.92 1
175 ARG -0.27 -0.77 1
176 ILE 3.72 -0.12 1
177 VAL -2.05 0.08 1
178 GLU -0.32 -0.25 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17576_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.03
_LACS_plot.Line_1_terminator_val_y_1 -1.91
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.51
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.19
_LACS_plot.Line_2_terminator_val_x_2 6.13
_LACS_plot.Line_2_terminator_val_y_2 0.46
_LACS_plot.Y_axis_chem_shift_offset 0.80
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
133 LEU 2.43 -5.98 0
10 PHE -3.86 -1.55 1
11 TYR -1.99 2.16 1
12 GLU 0.58 0.12 1
13 ASP -4.36 -0.66 1
14 LYS -0.16 0.32 1
15 ASN 3.50 -1.65 1
16 PHE 2.97 -1.13 1
17 GLN -4.72 -1.60 1
19 ARG 1.81 -2.52 1
20 ARG -6.94 -0.73 1
21 TYR -3.61 -3.34 1
22 ASP -4.27 -2.48 1
24 ASP -2.09 -0.97 1
26 ASP 2.58 0.21 1
28 ALA 2.09 -1.62 1
29 ASP 0.77 -0.19 1
30 PHE 0.21 1.88 1
31 HIS 5.67 1.10 1
32 THR 3.50 -0.19 1
33 TYR -0.57 -1.04 1
34 LEU -3.22 -1.69 1
35 SER 1.10 -1.31 1
36 ARG -1.37 -3.32 1
38 ASN -4.53 -1.56 1
39 SER 0.89 -1.74 1
40 ILE -7.00 -0.32 1
41 LYS -2.32 -2.12 1
42 VAL 0.06 0.04 1
43 GLU -0.87 0.55 1
46 THR 0.42 -0.94 1
47 TRP -3.99 -2.67 1
48 ALA -3.78 -1.67 1
49 VAL -4.13 -2.65 1
50 TYR -2.57 0.51 1
51 GLU -2.00 -0.08 1
54 ASN 3.56 -1.35 1
55 PHE 2.98 -1.86 1
56 ALA -5.56 -1.74 1
60 TYR -4.75 -1.39 1
61 ILE 0.30 -0.46 1
64 GLN 2.04 -0.61 1
66 GLU -2.93 -0.84 1
69 GLU -5.02 0.89 1
70 TYR 0.60 2.45 1
71 GLN 6.14 3.98 1
72 ARG 1.76 1.07 1
73 TRP 1.20 -1.34 1
74 MET 4.62 -0.10 1
76 LEU 0.18 -0.69 1
77 ASN -0.67 -3.70 1
78 ASP -0.12 -0.69 1
79 ARG -0.05 -1.08 1
80 LEU -5.91 -1.55 1
81 SER -3.25 -3.49 1
82 SER -1.27 -0.59 1
84 ARG -4.23 -2.97 1
85 ALA 0.74 -0.93 1
86 VAL 1.11 -1.45 1
87 HIS -0.36 -0.35 1
90 SER 1.13 1.39 1
93 GLN -1.50 -1.73 1
95 LYS -0.15 -3.64 1
96 ILE -5.88 -1.06 1
98 ILE -3.27 -3.15 1
99 PHE -2.73 0.73 1
100 GLU -1.79 -0.40 1
101 LYS -4.70 -0.47 1
103 ASP 3.89 -2.39 1
104 PHE 1.66 -0.84 1
105 SER -3.12 -1.59 1
107 GLN 1.39 -2.59 1
108 MET -4.91 -0.84 1
109 TYR -3.60 -2.62 1
110 GLU -6.84 -1.39 1
111 THR -2.96 -3.34 1
112 THR -1.19 2.81 1
113 GLU -6.01 -1.73 1
114 ASP 1.70 -0.22 1
117 SER -0.10 0.56 1
118 ILE 4.02 2.18 1
119 MET 4.55 2.32 1
120 GLU 2.46 0.62 1
121 GLN 1.90 0.29 1
122 PHE -2.12 -1.63 1
123 HIS 4.21 -0.17 1
124 MET -5.41 -1.99 1
125 ARG -0.42 -0.89 1
126 GLU -7.03 -2.01 1
128 HIS -1.50 -0.67 1
129 SER 0.41 -1.29 1
137 TRP -5.13 -2.94 1
139 PHE -6.06 -1.11 1
140 TYR -2.46 1.24 1
141 GLU -1.11 -1.47 1
144 ASN 3.28 -2.05 1
145 TYR 2.21 -1.08 1
146 ARG -5.52 -1.61 1
149 GLN -4.92 -5.74 1
150 TYR -4.06 -1.78 1
151 LEU -2.27 -2.28 1
157 TYR -4.95 -1.14 1
158 ARG 3.39 0.24 1
161 ILE 0.92 2.10 1
162 ASP 3.02 2.25 1
163 TRP 2.42 -0.46 1
165 ALA -4.89 -1.56 1
166 ALA -0.98 -1.71 1
169 ALA 2.02 -1.78 1
170 VAL -2.80 -0.96 1
171 GLN -4.68 -0.84 1
172 SER -1.20 -1.98 1
173 PHE -4.67 -1.83 1
174 ARG -4.76 -2.73 1
175 ARG -0.27 1.11 1
177 VAL -2.05 -1.62 1
stop_
save_