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 bmr4206_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.89
_LACS_plot.Line_1_terminator_val_y_1 -2.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.74
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.09
_LACS_plot.Line_2_terminator_val_x_2 3.71
_LACS_plot.Line_2_terminator_val_y_2 2.17
_LACS_plot.Y_axis_chem_shift_offset -0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
98 ASP 3.71 0.18 0
183 TYR -3.15 1.17 0
121 ARG 3.37 3.22 0
10 ASP -3.27 -1.22 1
11 SER -4.61 -2.15 1
12 SER -3.77 -0.90 1
13 ASP 2.53 0.83 1
14 ILE 2.78 2.17 1
15 THR -2.77 -1.17 1
16 ALA 1.27 1.57 1
17 ASN -4.36 -1.19 1
18 SER -3.59 -1.07 1
19 PHE -2.24 0.07 1
20 THR -0.04 0.07 1
21 VAL -3.01 -1.51 1
22 HIS -4.21 -1.12 1
23 TRP -1.43 -0.30 1
24 VAL 0.30 -0.40 1
25 ALA 0.57 1.27 1
27 ARG 2.19 1.49 1
28 ALA -0.84 0.45 1
30 ILE -5.98 -1.22 1
31 THR -0.40 -0.25 1
33 TYR -4.94 -1.19 1
34 ILE -2.55 -0.23 1
35 ILE -2.73 -1.61 1
36 ARG -4.68 -1.69 1
37 HIS -4.42 0.16 1
38 HIS -2.90 -0.11 1
39 ALA 0.02 -0.37 1
40 GLU 2.34 1.64 1
41 HIS 2.66 0.98 1
42 SER -1.34 -0.25 1
43 VAL -0.13 -0.34 1
45 ARG 0.35 0.37 1
47 ARG -0.45 -0.07 1
48 GLN -4.35 -0.89 1
49 ASP -5.62 -0.42 1
50 ARG -2.48 -0.76 1
51 VAL -4.22 -1.47 1
54 SER 0.77 -0.03 1
55 ARG -2.07 -0.85 1
56 ASN -1.24 -2.07 1
57 SER -4.10 -1.74 1
58 ILE -2.59 -0.11 1
59 THR 1.04 0.77 1
60 LEU -1.08 -1.51 1
61 THR -3.95 -2.22 1
62 ASN 3.08 1.46 1
63 LEU -0.98 -1.90 1
64 ASN -1.24 -0.36 1
67 THR -1.34 1.07 1
68 GLU -0.45 -0.48 1
69 TYR -1.94 0.97 1
70 VAL -0.35 -0.39 1
71 VAL -3.17 -1.40 1
72 SER -4.41 -2.60 1
73 ILE -1.04 0.21 1
74 ILE -4.49 -0.54 1
75 ALA -3.47 -1.25 1
76 VAL -5.25 -3.13 1
77 ASN -1.13 -0.34 1
79 ARG 0.44 0.58 1
80 GLU -1.30 -0.45 1
81 GLU -5.21 -2.42 1
82 SER -0.27 0.72 1
85 LEU -0.55 -0.44 1
86 ILE -2.36 -1.40 1
88 GLN -4.48 -1.54 1
89 GLN -3.18 -0.57 1
90 ALA -4.22 -2.55 1
91 THR -1.59 -1.22 1
92 VAL 0.67 0.41 1
93 SER -0.44 0.06 1
94 ASP -0.37 -1.16 1
95 ILE -1.12 0.48 1
97 ARG -5.16 -1.72 1
99 LEU 0.33 0.61 1
100 GLU -4.50 -1.86 1
101 VAL 0.25 0.06 1
102 ILE -1.63 -0.16 1
103 ALA -2.08 -0.14 1
104 SER -2.41 -0.22 1
105 THR 0.86 0.34 1
107 THR -2.53 -1.61 1
108 SER -4.47 -0.74 1
109 LEU -5.13 -1.57 1
110 LEU -2.30 -0.54 1
111 ILE -4.71 -2.48 1
112 SER -5.13 -1.98 1
113 TRP -1.72 -0.74 1
114 GLU -2.89 -2.17 1
117 ALA 0.91 0.05 1
118 VAL -4.14 -2.79 1
119 SER 1.75 1.01 1
120 VAL -0.90 0.08 1
122 TYR -1.60 -1.43 1
123 TYR -3.33 -1.36 1
124 ARG -4.07 -1.08 1
125 ILE -2.02 -1.45 1
126 THR -5.15 -3.25 1
127 TYR -5.03 -1.85 1
129 GLU -0.07 0.18 1
130 THR 3.05 2.57 1
133 ASN 0.36 0.39 1
134 SER 0.23 0.58 1
136 VAL 0.52 0.23 1
137 GLN -3.09 -1.01 1
138 GLU -6.28 -2.05 1
139 PHE -1.69 -0.76 1
140 THR -4.81 -2.20 1
141 VAL -4.38 -1.15 1
144 SER -0.12 -0.24 1
145 LYS -2.54 -0.73 1
146 SER -1.27 -1.74 1
147 THR -6.53 -2.99 1
148 ALA -4.45 -0.47 1
149 THR -0.97 -0.27 1
150 ILE -0.50 -0.63 1
151 ASN -3.54 -0.59 1
152 ASN 2.90 1.30 1
153 ILE -1.79 -1.67 1
154 LYS -1.64 -0.54 1
157 ALA -4.86 -1.79 1
158 ASP -1.00 -0.95 1
159 TYR -2.82 0.85 1
160 THR 0.35 1.05 1
161 ILE -2.22 -0.22 1
162 THR -0.05 -0.03 1
163 LEU -6.89 -1.60 1
164 TYR -3.91 -1.68 1
165 ALA -2.68 -1.18 1
166 VAL 2.97 0.87 1
167 THR -1.90 -0.80 1
169 ARG -1.02 -0.04 1
171 ASP 0.84 0.45 1
172 SER -0.59 -0.56 1
174 ALA -1.38 -0.19 1
175 SER -2.01 -0.39 1
176 SER -1.90 0.10 1
177 LYS 1.66 1.17 1
179 VAL -2.15 -0.88 1
180 SER -4.95 -1.47 1
181 ILE -5.25 -0.94 1
182 ASN -3.59 -1.08 1
184 LYS -1.98 -0.96 1
185 THR -0.31 0.51 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4206_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.89
_LACS_plot.Line_1_terminator_val_y_1 4.53
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.26
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.91
_LACS_plot.Line_2_terminator_val_x_2 3.71
_LACS_plot.Line_2_terminator_val_y_2 -1.54
_LACS_plot.Y_axis_chem_shift_offset -0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
98 ASP 3.71 -3.53 0
183 TYR -3.15 4.32 0
121 ARG 3.37 -0.15 0
10 ASP -3.27 2.05 1
11 SER -4.61 2.46 1
12 SER -3.77 2.87 1
13 ASP 2.53 -1.70 1
14 ILE 2.78 -0.61 1
15 THR -2.77 1.60 1
16 ALA 1.27 0.30 1
17 ASN -4.36 3.17 1
18 SER -3.59 2.52 1
19 PHE -2.24 2.31 1
20 THR -0.04 0.11 1
21 VAL -3.01 1.50 1
22 HIS -4.21 3.09 1
23 TRP -1.43 1.13 1
24 VAL 0.30 -0.70 1
25 ALA 0.57 0.70 1
27 ARG 2.19 -0.70 1
28 ALA -0.84 1.29 1
30 ILE -5.98 4.76 1
31 THR -0.40 0.15 1
33 TYR -4.94 3.75 1
34 ILE -2.55 2.32 1
35 ILE -2.73 1.12 1
36 ARG -4.68 2.99 1
37 HIS -4.42 4.58 1
38 HIS -2.90 2.79 1
39 ALA 0.02 -0.39 1
40 GLU 2.34 -0.70 1
41 HIS 2.66 -1.68 1
42 SER -1.34 1.09 1
43 VAL -0.13 -0.21 1
45 ARG 0.35 0.02 1
47 ARG -0.45 0.38 1
48 GLN -4.35 3.46 1
49 ASP -5.62 5.20 1
50 ARG -2.48 1.72 1
51 VAL -4.22 2.75 1
54 SER 0.77 -0.80 1
55 ARG -2.07 1.22 1
56 ASN -1.24 -0.83 1
57 SER -4.10 2.36 1
58 ILE -2.59 2.48 1
59 THR 1.04 -0.27 1
60 LEU -1.08 -0.43 1
61 THR -3.95 1.73 1
62 ASN 3.08 -1.62 1
63 LEU -0.98 -0.92 1
64 ASN -1.24 0.88 1
67 THR -1.34 2.41 1
68 GLU -0.45 -0.03 1
69 TYR -1.94 2.91 1
70 VAL -0.35 -0.04 1
71 VAL -3.17 1.77 1
72 SER -4.41 1.81 1
73 ILE -1.04 1.25 1
74 ILE -4.49 3.95 1
75 ALA -3.47 2.22 1
76 VAL -5.25 2.12 1
77 ASN -1.13 0.79 1
79 ARG 0.44 0.14 1
80 GLU -1.30 0.85 1
81 GLU -5.21 2.79 1
82 SER -0.27 0.99 1
85 LEU -0.55 0.11 1
86 ILE -2.36 0.96 1
88 GLN -4.48 2.94 1
89 GLN -3.18 2.61 1
90 ALA -4.22 1.67 1
91 THR -1.59 0.37 1
92 VAL 0.67 -0.26 1
93 SER -0.44 0.50 1
94 ASP -0.37 -0.79 1
95 ILE -1.12 1.60 1
97 ARG -5.16 3.44 1
99 LEU 0.33 0.28 1
100 GLU -4.50 2.64 1
101 VAL 0.25 -0.19 1
102 ILE -1.63 1.47 1
103 ALA -2.08 1.94 1
104 SER -2.41 2.19 1
105 THR 0.86 -0.52 1
107 THR -2.53 0.92 1
108 SER -4.47 3.73 1
109 LEU -5.13 3.56 1
110 LEU -2.30 1.76 1
111 ILE -4.71 2.23 1
112 SER -5.13 3.15 1
113 TRP -1.72 0.98 1
114 GLU -2.89 0.72 1
117 ALA 0.91 -0.86 1
118 VAL -4.14 1.35 1
119 SER 1.75 -0.74 1
120 VAL -0.90 0.98 1
122 TYR -1.60 0.17 1
123 TYR -3.33 1.97 1
124 ARG -4.07 2.99 1
125 ILE -2.02 0.57 1
126 THR -5.15 1.90 1
127 TYR -5.03 3.18 1
129 GLU -0.07 0.25 1
130 THR 3.05 -0.48 1
133 ASN 0.36 0.03 1
134 SER 0.23 0.35 1
136 VAL 0.52 -0.29 1
137 GLN -3.09 2.08 1
138 GLU -6.28 4.23 1
139 PHE -1.69 0.93 1
140 THR -4.81 2.61 1
141 VAL -4.38 3.23 1
144 SER -0.12 -0.12 1
145 LYS -2.54 1.81 1
146 SER -1.27 -0.47 1
147 THR -6.53 3.54 1
148 ALA -4.45 3.98 1
149 THR -0.97 0.70 1
150 ILE -0.50 -0.13 1
151 ASN -3.54 2.95 1
152 ASN 2.90 -1.60 1
153 ILE -1.79 0.12 1
154 LYS -1.64 1.10 1
157 ALA -4.86 3.07 1
158 ASP -1.00 0.05 1
159 TYR -2.82 3.67 1
160 THR 0.35 0.70 1
161 ILE -2.22 2.00 1
162 THR -0.05 0.02 1
163 LEU -6.89 5.29 1
164 TYR -3.91 2.23 1
165 ALA -2.68 1.50 1
166 VAL 2.97 -2.10 1
167 THR -1.90 1.10 1
169 ARG -1.02 0.98 1
171 ASP 0.84 -0.39 1
172 SER -0.59 0.03 1
174 ALA -1.38 1.19 1
175 SER -2.01 1.62 1
176 SER -1.90 2.00 1
177 LYS 1.66 -0.49 1
179 VAL -2.15 1.27 1
180 SER -4.95 3.48 1
181 ILE -5.25 4.31 1
182 ASN -3.59 2.51 1
184 LYS -1.98 1.02 1
185 THR -0.31 0.82 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4206_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.89
_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 -0.13
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.35
_LACS_plot.Line_2_terminator_val_x_2 3.71
_LACS_plot.Line_2_terminator_val_y_2 -0.35
_LACS_plot.Y_axis_chem_shift_offset -0.11
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
56 ASN -1.24 -1.18 0
10 ASP -3.27 0.21 1
11 SER -4.61 1.34 1
12 SER -3.77 0.25 1
13 ASP 2.53 -0.42 1
14 ILE 2.78 0.06 1
15 THR -2.77 0.52 1
16 ALA 1.27 0.49 1
17 ASN -4.36 0.18 1
18 SER -3.59 0.48 1
19 PHE -2.24 0.39 1
20 THR -0.04 0.71 1
21 VAL -3.01 0.54 1
22 HIS -4.21 0.17 1
23 TRP -1.43 0.34 1
24 VAL 0.30 0.00 1
25 ALA 0.57 0.27 1
27 ARG 2.19 -0.13 1
28 ALA -0.84 -0.11 1
30 ILE -5.98 0.64 1
31 THR -0.40 0.23 1
33 TYR -4.94 1.06 1
34 ILE -2.55 0.48 1
35 ILE -2.73 1.08 1
36 ARG -4.68 1.40 1
37 HIS -4.42 1.41 1
38 HIS -2.90 0.40 1
39 ALA 0.02 -0.21 1
40 GLU 2.34 -0.47 1
41 HIS 2.66 -0.14 1
42 SER -1.34 0.17 1
43 VAL -0.13 0.21 1
45 ARG 0.35 -0.13 1
47 ARG -0.45 0.02 1
48 GLN -4.35 1.03 1
49 ASP -5.62 0.41 1
50 ARG -2.48 0.98 1
51 VAL -4.22 0.59 1
54 SER 0.77 -0.07 1
55 ARG -2.07 0.16 1
57 SER -4.10 0.24 1
58 ILE -2.59 0.24 1
59 THR 1.04 0.30 1
60 LEU -1.08 -0.10 1
61 THR -3.95 0.32 1
62 ASN 3.08 -0.37 1
63 LEU -0.98 -0.04 1
64 ASN -1.24 0.18 1
67 THR -1.34 0.08 1
68 GLU -0.45 -0.12 1
69 TYR -1.94 0.22 1
70 VAL -0.35 0.25 1
71 VAL -3.17 0.85 1
72 SER -4.41 1.19 1
73 ILE -1.04 0.31 1
74 ILE -4.49 -0.12 1
75 ALA -3.47 0.50 1
76 VAL -5.25 1.06 1
77 ASN -1.13 0.25 1
79 ARG 0.44 -0.06 1
80 GLU -1.30 0.00 1
81 GLU -5.21 0.79 1
82 SER -0.27 -0.02 1
85 LEU -0.55 0.27 1
86 ILE -2.36 0.96 1
88 GLN -4.48 1.13 1
89 GLN -3.18 -0.16 1
90 ALA -4.22 1.64 1
91 THR -1.59 0.05 1
92 VAL 0.67 -0.13 1
93 SER -0.44 -0.07 1
94 ASP -0.37 -0.14 1
95 ILE -1.12 0.07 1
97 ARG -5.16 0.41 1
98 ASP 3.71 -0.39 1
99 LEU 0.33 0.69 1
100 GLU -4.50 0.39 1
101 VAL 0.25 0.32 1
102 ILE -1.63 0.28 1
103 ALA -2.08 0.30 1
104 SER -2.41 0.42 1
105 THR 0.86 0.29 1
107 THR -2.53 0.39 1
108 SER -4.47 0.89 1
109 LEU -5.13 0.46 1
110 LEU -2.30 0.68 1
111 ILE -4.71 1.26 1
112 SER -5.13 0.53 1
113 TRP -1.72 0.34 1
114 GLU -2.89 0.39 1
117 ALA 0.91 0.10 1
118 VAL -4.14 0.28 1
119 SER 1.75 -0.22 1
120 VAL -0.90 -0.35 1
121 ARG 3.37 -0.13 1
122 TYR -1.60 0.11 1
123 TYR -3.33 0.73 1
124 ARG -4.07 0.56 1
125 ILE -2.02 0.93 1
126 THR -5.15 1.51 1
127 TYR -5.03 1.40 1
129 GLU -0.07 0.07 1
130 THR 3.05 -0.39 1
133 ASN 0.36 0.03 1
134 SER 0.23 0.04 1
136 VAL 0.52 0.07 1
137 GLN -3.09 0.18 1
138 GLU -6.28 1.54 1
139 PHE -1.69 0.49 1
140 THR -4.81 1.40 1
141 VAL -4.38 0.62 1
144 SER -0.12 0.15 1
145 LYS -2.54 0.29 1
146 SER -1.27 -0.98 1
147 THR -6.53 0.36 1
148 ALA -4.45 0.39 1
149 THR -0.97 0.76 1
150 ILE -0.50 -0.38 1
151 ASN -3.54 0.23 1
152 ASN 2.90 -0.31 1
153 ILE -1.79 0.11 1
154 LYS -1.64 0.23 1
157 ALA -4.86 0.32 1
158 ASP -1.00 0.55 1
159 TYR -2.82 0.53 1
160 THR 0.35 0.71 1
161 ILE -2.22 0.73 1
162 THR -0.05 0.54 1
163 LEU -6.89 0.61 1
164 TYR -3.91 0.00 1
165 ALA -2.68 0.10 1
166 VAL 2.97 0.34 1
167 THR -1.90 0.21 1
169 ARG -1.02 0.06 1
171 ASP 0.84 -0.06 1
172 SER -0.59 -0.04 1
174 ALA -1.38 0.11 1
175 SER -2.01 0.52 1
176 SER -1.90 0.14 1
177 LYS 1.66 -0.10 1
179 VAL -2.15 0.19 1
180 SER -4.95 1.36 1
181 ILE -5.25 0.52 1
182 ASN -3.59 1.16 1
183 TYR -3.15 0.08 1
184 LYS -1.98 0.73 1
185 THR -0.31 -0.10 1
stop_
save_