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 bmr4814_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -4.70
_LACS_plot.Line_1_terminator_val_y_1 -2.22
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.94
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.46
_LACS_plot.Line_2_terminator_val_x_2 8.46
_LACS_plot.Line_2_terminator_val_y_2 6.62
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
55 ILE 5.54 0.50 0
69 HIS -4.70 0.00 0
10 ILE 1.78 0.75 1
11 ALA 4.45 3.36 1
12 GLU 2.99 2.47 1
13 ALA 3.77 2.47 1
14 VAL 5.82 4.30 1
15 GLN 5.10 3.86 1
16 GLN 4.23 3.00 1
17 LEU 4.27 3.63 1
18 ASN 4.38 4.23 1
19 HIS 3.58 4.35 1
20 THR 6.53 5.40 1
21 ILE 6.55 5.32 1
22 VAL 5.83 4.41 1
23 ASN 4.10 2.93 1
24 ALA 4.29 3.30 1
25 ALA 4.00 2.61 1
26 HIS 3.43 3.70 1
27 GLU 1.82 1.23 1
28 LEU 3.28 2.81 1
29 HIS 4.33 4.26 1
30 GLU 1.80 1.20 1
31 THR 4.26 3.40 1
32 LEU 3.07 1.26 1
34 LEU 2.28 1.12 1
36 THR -2.28 -1.83 1
38 ASP 3.73 2.92 1
39 GLU 2.43 2.53 1
40 ALA 2.59 2.79 1
41 LEU 3.82 3.13 1
42 ASN 4.15 3.44 1
43 LEU 3.37 2.88 1
44 LEU 2.86 2.98 1
45 THR 6.51 5.33 1
46 GLU 3.23 3.15 1
47 GLN 3.88 1.72 1
48 ALA 3.51 3.24 1
49 ASN 4.03 3.24 1
50 ALA 4.16 2.93 1
51 PHE 4.23 4.28 1
52 LYS 5.19 4.45 1
53 THR 6.28 5.09 1
54 LYS 3.62 2.20 1
56 ALA 4.05 2.49 1
57 GLU 3.73 3.10 1
58 VAL 5.68 4.45 1
59 THR 6.80 4.71 1
60 THR 7.04 5.63 1
61 SER 1.23 4.26 1
62 LEU 2.85 3.01 1
63 LYS 4.80 3.59 1
64 GLN 4.26 3.00 1
65 GLU 3.15 1.83 1
66 ALA 4.12 3.47 1
67 GLU 1.29 1.33 1
68 LYS 1.04 0.56 1
70 GLN -3.38 -1.05 1
72 SER 4.34 3.32 1
73 VAL 5.19 3.62 1
74 ALA 3.44 2.89 1
75 GLU 3.00 2.67 1
76 GLN 3.37 2.96 1
77 LEU 3.19 3.37 1
78 ASN 3.90 3.69 1
79 ALA 4.14 2.89 1
80 PHE 1.72 1.06 1
81 ALA 3.59 2.88 1
82 ARG 4.27 3.39 1
83 ASN 4.33 2.49 1
84 LEU 3.30 3.06 1
85 ASN 3.55 3.20 1
86 ASN 3.10 2.19 1
87 SER 3.63 3.66 1
88 ILE -0.38 -0.42 1
89 HIS 1.70 2.69 1
90 ASP -0.12 -0.03 1
91 ALA 0.09 0.10 1
92 ALA -0.36 -0.22 1
93 THR 0.11 -0.13 1
94 SER -0.44 -0.18 1
95 LEU -0.15 -0.28 1
96 ASN -2.19 -0.84 1
97 LEU 4.60 4.00 1
98 GLN 5.22 3.79 1
99 ASP 3.77 2.98 1
100 GLN 3.37 2.72 1
101 LEU 4.84 4.17 1
102 ASN 3.86 3.23 1
103 SER 4.11 3.17 1
104 LEU 3.23 2.50 1
105 GLN 5.50 4.77 1
106 SER 4.42 3.35 1
107 ALA 3.86 3.28 1
108 LEU 4.14 3.83 1
109 THR 5.73 4.46 1
110 ASN 4.50 3.44 1
111 VAL 6.51 5.35 1
113 HIS 3.42 3.84 1
114 GLN 3.40 3.60 1
115 TRP 2.03 1.03 1
116 GLN 4.61 3.53 1
117 ASP 3.20 3.33 1
118 ILE 3.50 1.52 1
119 ALA 3.91 2.83 1
120 THR 5.11 4.07 1
121 LYS 3.36 2.97 1
122 THR 2.60 1.96 1
123 GLN 0.70 0.89 1
124 ALA 0.27 0.45 1
125 SER -0.15 0.11 1
126 ALA 0.64 0.24 1
127 GLN 3.27 2.64 1
128 GLU 2.99 2.23 1
129 ALA 1.90 1.34 1
130 TRP 0.02 0.26 1
131 ALA 8.46 6.40 1
133 VAL -1.26 -1.51 1
134 GLN 5.58 4.60 1
135 SER 3.52 1.86 1
136 ALA 3.54 2.31 1
137 LEU 2.78 3.09 1
138 GLN 5.70 4.17 1
139 GLU 2.96 2.73 1
140 ALA 2.87 2.34 1
141 ALA 5.31 2.78 1
142 GLU 3.84 2.99 1
143 LYS 3.78 3.23 1
144 THR 7.39 5.74 1
145 LYS 5.89 4.53 1
146 GLU 2.97 2.56 1
147 ALA 3.68 2.66 1
148 ALA 3.60 2.70 1
149 ALA 3.37 2.39 1
150 ASN 3.48 2.94 1
151 LEU 4.74 3.69 1
152 GLN 5.39 3.94 1
153 ASN 3.56 2.89 1
154 SER 4.70 3.63 1
155 ILE 5.25 3.04 1
156 GLN 4.46 3.72 1
157 SER 3.28 2.63 1
158 ALA 0.58 1.62 1
159 VAL 1.35 0.68 1
160 GLN 0.80 0.08 1
161 LYS 0.45 0.04 1
163 ALA -0.42 -0.20 1
164 ASN -0.03 1.51 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4814_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -4.70
_LACS_plot.Line_1_terminator_val_y_1 2.48
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.06
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.54
_LACS_plot.Line_2_terminator_val_x_2 8.46
_LACS_plot.Line_2_terminator_val_y_2 -1.84
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
55 ILE 5.54 -5.04 0
69 HIS -4.70 4.70 0
10 ILE 1.78 -1.03 1
11 ALA 4.45 -1.09 1
12 GLU 2.99 -0.52 1
13 ALA 3.77 -1.30 1
14 VAL 5.82 -1.52 1
15 GLN 5.10 -1.24 1
16 GLN 4.23 -1.23 1
17 LEU 4.27 -0.64 1
18 ASN 4.38 -0.15 1
19 HIS 3.58 0.77 1
20 THR 6.53 -1.13 1
21 ILE 6.55 -1.23 1
22 VAL 5.83 -1.42 1
23 ASN 4.10 -1.17 1
24 ALA 4.29 -0.99 1
25 ALA 4.00 -1.39 1
26 HIS 3.43 0.27 1
27 GLU 1.82 -0.59 1
28 LEU 3.28 -0.47 1
29 HIS 4.33 -0.07 1
30 GLU 1.80 -0.60 1
31 THR 4.26 -0.86 1
32 LEU 3.07 -1.81 1
34 LEU 2.28 -1.16 1
36 THR -2.28 0.45 1
38 ASP 3.73 -0.81 1
39 GLU 2.43 0.10 1
40 ALA 2.59 0.20 1
41 LEU 3.82 -0.69 1
42 ASN 4.15 -0.71 1
43 LEU 3.37 -0.49 1
44 LEU 2.86 0.12 1
45 THR 6.51 -1.18 1
46 GLU 3.23 -0.08 1
47 GLN 3.88 -2.16 1
48 ALA 3.51 -0.27 1
49 ASN 4.03 -0.79 1
50 ALA 4.16 -1.23 1
51 PHE 4.23 0.05 1
52 LYS 5.19 -0.74 1
53 THR 6.28 -1.19 1
54 LYS 3.62 -1.42 1
56 ALA 4.05 -1.56 1
57 GLU 3.73 -0.63 1
58 VAL 5.68 -1.23 1
59 THR 6.80 -2.09 1
60 THR 7.04 -1.41 1
61 SER 1.23 3.03 1
62 LEU 2.85 0.16 1
63 LYS 4.80 -1.21 1
64 GLN 4.26 -1.26 1
65 GLU 3.15 -1.32 1
66 ALA 4.12 -0.65 1
67 GLU 1.29 0.04 1
68 LYS 1.04 -0.48 1
70 GLN -3.38 2.33 1
72 SER 4.34 -1.02 1
73 VAL 5.19 -1.57 1
74 ALA 3.44 -0.55 1
75 GLU 3.00 -0.33 1
76 GLN 3.37 -0.41 1
77 LEU 3.19 0.18 1
78 ASN 3.90 -0.21 1
79 ALA 4.14 -1.25 1
80 PHE 1.72 -0.66 1
81 ALA 3.59 -0.71 1
82 ARG 4.27 -0.88 1
83 ASN 4.33 -1.84 1
84 LEU 3.30 -0.24 1
85 ASN 3.55 -0.35 1
86 ASN 3.10 -0.91 1
87 SER 3.63 0.03 1
88 ILE -0.38 -0.04 1
89 HIS 1.70 0.99 1
90 ASP -0.12 0.09 1
91 ALA 0.09 0.01 1
92 ALA -0.36 0.14 1
93 THR 0.11 -0.24 1
94 SER -0.44 0.26 1
95 LEU -0.15 -0.13 1
96 ASN -2.19 1.35 1
97 LEU 4.60 -0.60 1
98 GLN 5.22 -1.43 1
99 ASP 3.77 -0.79 1
100 GLN 3.37 -0.65 1
101 LEU 4.84 -0.67 1
102 ASN 3.86 -0.63 1
103 SER 4.11 -0.94 1
104 LEU 3.23 -0.73 1
105 GLN 5.50 -0.73 1
106 SER 4.42 -1.07 1
107 ALA 3.86 -0.58 1
108 LEU 4.14 -0.31 1
109 THR 5.73 -1.27 1
110 ASN 4.50 -1.06 1
111 VAL 6.51 -1.16 1
113 HIS 3.42 0.42 1
114 GLN 3.40 0.20 1
115 TRP 2.03 -1.00 1
116 GLN 4.61 -1.08 1
117 ASP 3.20 0.13 1
118 ILE 3.50 -1.98 1
119 ALA 3.91 -1.08 1
120 THR 5.11 -1.04 1
121 LYS 3.36 -0.39 1
122 THR 2.60 -0.64 1
123 GLN 0.70 0.19 1
124 ALA 0.27 0.18 1
125 SER -0.15 0.26 1
126 ALA 0.64 -0.40 1
127 GLN 3.27 -0.63 1
128 GLU 2.99 -0.76 1
129 ALA 1.90 -0.56 1
130 TRP 0.02 0.24 1
131 ALA 8.46 -2.06 1
133 VAL -1.26 -0.25 1
134 GLN 5.58 -0.98 1
135 SER 3.52 -1.66 1
136 ALA 3.54 -1.23 1
137 LEU 2.78 0.31 1
138 GLN 5.70 -1.53 1
139 GLU 2.96 -0.23 1
140 ALA 2.87 -0.53 1
141 ALA 5.31 -2.53 1
142 GLU 3.84 -0.85 1
143 LYS 3.78 -0.55 1
144 THR 7.39 -1.65 1
145 LYS 5.89 -1.36 1
146 GLU 2.97 -0.41 1
147 ALA 3.68 -1.02 1
148 ALA 3.60 -0.90 1
149 ALA 3.37 -0.98 1
150 ASN 3.48 -0.54 1
151 LEU 4.74 -1.05 1
152 GLN 5.39 -1.45 1
153 ASN 3.56 -0.67 1
154 SER 4.70 -1.07 1
155 ILE 5.25 -2.21 1
156 GLN 4.46 -0.74 1
157 SER 3.28 -0.65 1
158 ALA 0.58 1.04 1
159 VAL 1.35 -0.67 1
160 GLN 0.80 -0.72 1
161 LYS 0.45 -0.41 1
163 ALA -0.42 0.22 1
164 ASN -0.03 1.54 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4814_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -4.70
_LACS_plot.Line_1_terminator_val_y_1 0.24
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.03
_LACS_plot.Line_2_terminator_val_x_2 8.46
_LACS_plot.Line_2_terminator_val_y_2 -0.51
_LACS_plot.Y_axis_chem_shift_offset 0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
141 ALA 5.31 -1.51 0
10 ILE 1.78 -0.09 1
11 ALA 4.45 -0.47 1
12 GLU 2.99 -0.34 1
13 ALA 3.77 -0.31 1
14 VAL 5.82 -0.60 1
15 GLN 5.10 -0.22 1
16 GLN 4.23 -0.26 1
17 LEU 4.27 -0.26 1
18 ASN 4.38 -0.37 1
19 HIS 3.58 -0.38 1
20 THR 6.53 -0.07 1
21 ILE 6.55 -0.71 1
22 VAL 5.83 0.23 1
23 ASN 4.10 -0.28 1
24 ALA 4.29 -0.47 1
25 ALA 4.00 -0.48 1
26 HIS 3.43 -0.31 1
27 GLU 1.82 -0.28 1
28 LEU 3.28 -0.50 1
29 HIS 4.33 -0.61 1
30 GLU 1.80 -0.26 1
31 THR 4.26 -0.25 1
32 LEU 3.07 -0.26 1
34 LEU 2.28 -0.15 1
36 THR -2.28 0.31 1
38 ASP 3.73 -0.28 1
39 GLU 2.43 -0.26 1
40 ALA 2.59 -0.35 1
41 LEU 3.82 -0.41 1
42 ASN 4.15 -0.35 1
43 LEU 3.37 -0.07 1
44 LEU 2.86 0.13 1
45 THR 6.51 -0.47 1
46 GLU 3.23 0.03 1
47 GLN 3.88 -0.22 1
48 ALA 3.51 -0.19 1
49 ASN 4.03 -0.95 1
50 ALA 4.16 -0.13 1
51 PHE 4.23 -0.31 1
52 LYS 5.19 -0.67 1
53 THR 6.28 -0.04 1
54 LYS 3.62 -0.23 1
55 ILE 5.54 -0.10 1
56 ALA 4.05 -0.06 1
57 GLU 3.73 -0.29 1
58 VAL 5.68 -0.33 1
59 THR 6.80 -0.57 1
60 THR 7.04 -0.01 1
61 SER 1.23 -0.15 1
62 LEU 2.85 -0.19 1
63 LYS 4.80 -0.39 1
64 GLN 4.26 -0.13 1
65 GLU 3.15 -0.28 1
66 ALA 4.12 -0.50 1
67 GLU 1.29 -0.27 1
68 LYS 1.04 -0.26 1
69 HIS -4.70 0.00 1
70 GLN -3.38 0.31 1
72 SER 4.34 -0.44 1
73 VAL 5.19 0.59 1
74 ALA 3.44 -0.49 1
75 GLU 3.00 -0.32 1
76 GLN 3.37 -0.63 1
77 LEU 3.19 -0.19 1
78 ASN 3.90 -0.41 1
79 ALA 4.14 -0.29 1
80 PHE 1.72 -0.11 1
81 ALA 3.59 -0.78 1
82 ARG 4.27 -0.36 1
83 ASN 4.33 -0.35 1
84 LEU 3.30 -0.47 1
85 ASN 3.55 -0.40 1
86 ASN 3.10 -0.54 1
87 SER 3.63 -0.14 1
88 ILE -0.38 0.32 1
89 HIS 1.70 -0.27 1
90 ASP -0.12 -0.08 1
91 ALA 0.09 -0.11 1
92 ALA -0.36 0.05 1
93 THR 0.11 0.00 1
94 SER -0.44 0.00 1
95 LEU -0.15 0.12 1
96 ASN -2.19 -0.34 1
97 LEU 4.60 0.37 1
98 GLN 5.22 -0.52 1
99 ASP 3.77 -0.16 1
100 GLN 3.37 -0.16 1
101 LEU 4.84 -0.49 1
102 ASN 3.86 -0.30 1
103 SER 4.11 -0.21 1
104 LEU 3.23 -0.03 1
105 GLN 5.50 -0.55 1
106 SER 4.42 -0.24 1
107 ALA 3.86 0.03 1
109 THR 5.73 -0.14 1
110 ASN 4.50 -0.12 1
111 VAL 6.51 -0.38 1
113 HIS 3.42 -0.22 1
114 GLN 3.40 -0.02 1
115 TRP 2.03 -0.59 1
116 GLN 4.61 -0.30 1
117 ASP 3.20 -0.30 1
118 ILE 3.50 -0.10 1
119 ALA 3.91 -0.10 1
121 LYS 3.36 -0.34 1
122 THR 2.60 -1.09 1
123 GLN 0.70 -0.13 1
124 ALA 0.27 0.02 1
125 SER -0.15 0.04 1
126 ALA 0.64 0.10 1
127 GLN 3.27 -0.13 1
128 GLU 2.99 -0.19 1
129 ALA 1.90 -0.18 1
130 TRP 0.02 -0.34 1
131 ALA 8.46 -0.30 1
133 VAL -1.26 0.35 1
134 GLN 5.58 -0.40 1
135 SER 3.52 0.24 1
136 ALA 3.54 -0.04 1
137 LEU 2.78 -0.07 1
138 GLN 5.70 -0.65 1
139 GLU 2.96 -0.28 1
140 ALA 2.87 0.04 1
142 GLU 3.84 -0.47 1
143 LYS 3.78 -0.23 1
144 THR 7.39 -0.23 1
145 LYS 5.89 -0.33 1
146 GLU 2.97 -0.30 1
147 ALA 3.68 -0.13 1
148 ALA 3.60 -0.23 1
149 ALA 3.37 -0.20 1
150 ASN 3.48 -0.26 1
151 LEU 4.74 -0.02 1
152 GLN 5.39 -0.02 1
153 ASN 3.56 -0.66 1
154 SER 4.70 -0.32 1
155 ILE 5.25 -0.43 1
156 GLN 4.46 -0.38 1
157 SER 3.28 -0.30 1
158 ALA 0.58 -0.07 1
159 VAL 1.35 -0.08 1
160 GLN 0.80 -0.09 1
161 LYS 0.45 -0.06 1
163 ALA -0.42 -0.02 1
164 ASN -0.03 -0.33 1
stop_
save_