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 bmr7270_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.82
_LACS_plot.Line_1_terminator_val_y_1 -3.24
_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 -0.74
_LACS_plot.Line_2_terminator_val_x_2 4.96
_LACS_plot.Line_2_terminator_val_y_2 2.90
_LACS_plot.Y_axis_chem_shift_offset -0.28
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
69 THR 4.49 -0.43 0
25 LEU 0.38 0.33 1
26 LYS 0.54 0.50 1
27 GLU -0.37 0.10 1
28 ALA -0.23 0.03 1
29 ALA -0.79 -0.46 1
30 GLU -0.39 0.03 1
31 VAL 0.69 0.16 1
32 THR -4.12 -2.29 1
34 SER -2.85 -0.92 1
35 VAL -1.54 0.11 1
36 SER -4.53 -2.28 1
37 LEU -5.83 -1.23 1
38 GLU -4.75 -2.19 1
39 ALA -3.61 -0.93 1
40 LEU -0.33 0.26 1
41 GLU 0.86 1.49 1
42 GLU -6.19 -2.24 1
43 VAL -5.30 -2.73 1
44 GLN -2.55 -1.34 1
45 VAL 4.55 3.61 1
47 GLU -3.01 -1.77 1
48 ASN -1.64 -1.53 1
49 LEU -4.76 -1.64 1
50 GLU -1.04 -1.05 1
51 VAL 1.75 0.32 1
53 VAL -2.25 -0.85 1
55 ILE -1.79 0.25 1
56 ASP 0.64 2.26 1
57 GLU -5.05 -1.76 1
58 LEU -1.68 0.22 1
59 VAL -1.30 -0.44 1
60 ASN 4.60 1.73 1
61 ALA -4.71 -0.94 1
62 GLU -4.23 -1.52 1
63 ALA -3.46 -1.90 1
64 PHE 0.84 2.07 1
65 ALA -5.13 -1.38 1
66 TYR -6.27 -3.51 1
67 ASP -5.89 -2.61 1
68 PHE -1.10 -0.34 1
70 LEU -4.28 -1.64 1
71 ASN -3.16 -1.04 1
72 TYR -5.30 -2.59 1
73 ASP -0.35 -0.55 1
74 GLU 1.22 0.81 1
75 ASN 1.65 1.52 1
76 ALA -1.59 0.76 1
77 PHE -7.82 -1.34 1
78 GLU -6.63 -2.93 1
79 TYR 1.84 1.35 1
80 VAL 1.59 2.20 1
81 GLU -1.91 -1.29 1
82 ALA -4.55 -1.88 1
83 ILE -4.68 -1.04 1
84 SER -3.66 -0.97 1
85 ASP -2.10 -0.72 1
86 ASP 2.04 2.04 1
88 VAL -3.86 -1.30 1
89 PHE -2.77 -1.25 1
90 VAL -4.32 -2.45 1
91 ASN -3.57 -1.13 1
92 ALA -6.84 -2.33 1
93 LYS -4.52 -1.19 1
94 LYS 1.69 0.52 1
95 ILE 1.57 1.66 1
96 GLU -5.15 -2.28 1
97 ASP 4.14 2.96 1
99 LYS -4.95 -0.21 1
100 VAL -4.41 -2.07 1
101 ARG -2.92 -1.42 1
102 VAL -0.48 -0.85 1
103 LEU -3.00 -1.72 1
104 VAL -3.39 -1.98 1
105 SER -2.65 -0.85 1
106 SER -0.50 -0.13 1
107 LEU -0.83 0.18 1
108 THR -0.86 0.25 1
110 GLU -1.57 -0.75 1
112 LEU -0.27 -0.88 1
114 ALA -2.00 -1.16 1
115 LYS 4.97 1.38 1
116 GLU -5.81 -2.03 1
117 VAL 4.75 3.14 1
118 LEU -1.79 0.41 1
119 ALA -5.08 -1.73 1
120 LYS -3.22 -1.98 1
121 VAL 0.66 0.17 1
122 VAL 1.44 0.56 1
123 LEU -5.86 -3.05 1
124 ARG -1.53 -0.68 1
125 ALA -0.74 0.03 1
126 GLU -2.21 0.34 1
127 ALA -4.22 -1.14 1
128 LYS 0.59 0.66 1
129 ALA -1.93 0.47 1
130 GLU -2.49 -1.53 1
132 SER -0.33 0.75 1
133 ASN -0.34 1.82 1
134 LEU -4.32 -1.63 1
135 SER -4.79 -2.08 1
136 VAL -1.97 -1.24 1
137 THR -5.38 -2.68 1
138 ASN 2.77 1.25 1
139 SER -3.80 -2.28 1
140 SER -3.65 -0.90 1
141 VAL -6.02 -3.89 1
143 ASP -3.72 -1.16 1
145 GLU -1.99 -1.27 1
147 LEU 0.57 -0.24 1
148 VAL -1.80 -1.06 1
149 HIS -4.30 -1.10 1
150 GLU 0.56 1.03 1
151 ILE -4.95 -1.71 1
152 ALA 0.23 1.18 1
154 THR -0.02 -0.97 1
155 GLU -5.49 -1.77 1
156 LYS -4.81 -0.36 1
157 THR -3.09 -1.39 1
158 VAL -5.61 -2.22 1
159 ASN -2.84 -1.36 1
160 ILE -0.18 -0.46 1
161 ILE -4.01 -1.78 1
162 GLU -1.38 -0.13 1
164 THR -0.44 -0.18 1
165 SER 0.89 1.89 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7270_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.82
_LACS_plot.Line_1_terminator_val_y_1 4.58
_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 1.26
_LACS_plot.Line_2_terminator_val_x_2 4.96
_LACS_plot.Line_2_terminator_val_y_2 -2.06
_LACS_plot.Y_axis_chem_shift_offset -0.28
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
69 THR 4.49 -4.92 0
25 LEU 0.38 -0.05 1
26 LYS 0.54 -0.04 1
27 GLU -0.37 0.47 1
28 ALA -0.23 0.26 1
29 ALA -0.79 0.33 1
30 GLU -0.39 0.42 1
31 VAL 0.69 -0.53 1
32 THR -4.12 1.83 1
34 SER -2.85 1.93 1
35 VAL -1.54 1.65 1
36 SER -4.53 2.25 1
37 LEU -5.83 4.60 1
38 GLU -4.75 2.56 1
39 ALA -3.61 2.68 1
40 LEU -0.33 0.59 1
41 GLU 0.86 0.63 1
42 GLU -6.19 3.95 1
43 VAL -5.30 2.57 1
44 GLN -2.55 1.21 1
45 VAL 4.55 -0.94 1
47 GLU -3.01 1.24 1
48 ASN -1.64 0.11 1
49 LEU -4.76 3.12 1
50 GLU -1.04 -0.01 1
51 VAL 1.75 -1.43 1
53 VAL -2.25 1.40 1
55 ILE -1.79 2.04 1
56 ASP 0.64 1.62 1
57 GLU -5.05 3.29 1
58 LEU -1.68 1.90 1
59 VAL -1.30 0.86 1
60 ASN 4.60 -2.87 1
61 ALA -4.71 3.77 1
62 GLU -4.23 2.71 1
63 ALA -3.46 1.56 1
64 PHE 0.84 1.23 1
65 ALA -5.13 3.75 1
66 TYR -6.27 2.76 1
67 ASP -5.89 3.28 1
68 PHE -1.10 0.76 1
70 LEU -4.28 2.64 1
71 ASN -3.16 2.12 1
72 TYR -5.30 2.71 1
73 ASP -0.35 -0.20 1
74 GLU 1.22 -0.41 1
75 ASN 1.65 -0.13 1
76 ALA -1.59 2.35 1
77 PHE -7.82 6.48 1
78 GLU -6.63 3.70 1
79 TYR 1.84 -0.49 1
80 VAL 1.59 0.61 1
81 GLU -1.91 0.62 1
82 ALA -4.55 2.67 1
83 ILE -4.68 3.64 1
84 SER -3.66 2.69 1
85 ASP -2.10 1.38 1
86 ASP 2.04 0.00 1
88 VAL -3.86 2.56 1
89 PHE -2.77 1.52 1
90 VAL -4.32 1.87 1
91 ASN -3.57 2.44 1
92 ALA -6.84 4.51 1
93 LYS -4.52 3.33 1
94 LYS 1.69 -1.17 1
95 ILE 1.57 0.09 1
96 GLU -5.15 2.87 1
97 ASP 4.14 -1.18 1
99 LYS -4.95 4.74 1
100 VAL -4.41 2.34 1
101 ARG -2.92 1.50 1
102 VAL -0.48 -0.37 1
103 LEU -3.00 1.28 1
104 VAL -3.39 1.41 1
105 SER -2.65 1.80 1
106 SER -0.50 0.37 1
107 LEU -0.83 1.01 1
108 THR -0.86 1.11 1
110 GLU -1.57 0.82 1
112 LEU -0.27 -0.61 1
114 ALA -2.00 0.84 1
115 LYS 4.97 -3.59 1
116 GLU -5.81 3.78 1
117 VAL 4.75 -1.61 1
118 LEU -1.79 2.20 1
119 ALA -5.08 3.35 1
120 LYS -3.22 1.24 1
121 VAL 0.66 -0.49 1
122 VAL 1.44 -0.88 1
123 LEU -5.86 2.81 1
124 ARG -1.53 0.85 1
125 ALA -0.74 0.77 1
126 GLU -2.21 2.55 1
127 ALA -4.22 3.08 1
128 LYS 0.59 0.07 1
129 ALA -1.93 2.40 1
130 GLU -2.49 0.96 1
132 SER -0.33 1.08 1
133 ASN -0.34 2.16 1
134 LEU -4.32 2.69 1
135 SER -4.79 2.71 1
136 VAL -1.97 0.73 1
137 THR -5.38 2.70 1
138 ASN 2.77 -1.52 1
139 SER -3.80 1.52 1
140 SER -3.65 2.75 1
141 VAL -6.02 2.13 1
143 ASP -3.72 2.56 1
145 GLU -1.99 0.72 1
147 LEU 0.57 -0.81 1
148 VAL -1.80 0.74 1
149 HIS -4.30 3.20 1
150 GLU 0.56 0.47 1
151 ILE -4.95 3.24 1
152 ALA 0.23 0.95 1
154 THR -0.02 -0.95 1
155 GLU -5.49 3.72 1
156 LYS -4.81 4.45 1
157 THR -3.09 1.70 1
158 VAL -5.61 3.39 1
159 ASN -2.84 1.48 1
160 ILE -0.18 -0.28 1
161 ILE -4.01 2.23 1
162 GLU -1.38 1.25 1
164 THR -0.44 0.26 1
165 SER 0.89 1.00 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7270_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.82
_LACS_plot.Line_1_terminator_val_y_1 0.98
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.19
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.26
_LACS_plot.Line_2_terminator_val_x_2 4.96
_LACS_plot.Line_2_terminator_val_y_2 -0.51
_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
69 THR 4.49 0.82 0
25 LEU 0.38 -0.05 1
26 LYS 0.54 -0.06 1
27 GLU -0.37 -0.11 1
28 ALA -0.23 -0.04 1
29 ALA -0.79 0.00 1
30 GLU -0.39 -0.13 1
31 VAL 0.69 0.31 1
32 THR -4.12 0.52 1
34 SER -2.85 0.92 1
35 VAL -1.54 0.00 1
36 SER -4.53 0.22 1
37 LEU -5.83 0.53 1
38 GLU -4.75 0.30 1
39 ALA -3.61 0.28 1
40 LEU -0.33 -0.11 1
41 GLU 0.86 -0.11 1
42 GLU -6.19 1.33 1
43 VAL -5.30 0.43 1
44 GLN -2.55 0.55 1
45 VAL 4.55 -1.09 1
47 GLU -3.01 0.11 1
48 ASN -1.64 0.64 1
49 LEU -4.76 0.17 1
50 GLU -1.04 0.01 1
51 VAL 1.75 0.07 1
53 VAL -2.25 0.72 1
55 ILE -1.79 -0.16 1
56 ASP 0.64 -0.20 1
57 GLU -5.05 -0.06 1
58 LEU -1.68 0.49 1
59 VAL -1.30 0.12 1
60 ASN 4.60 -0.49 1
61 ALA -4.71 0.20 1
62 GLU -4.23 -0.04 1
63 ALA -3.46 0.37 1
64 PHE 0.84 -0.30 1
65 ALA -5.13 0.96 1
66 TYR -6.27 1.16 1
67 ASP -5.89 0.99 1
68 PHE -1.10 0.27 1
70 LEU -4.28 0.93 1
71 ASN -3.16 1.14 1
72 TYR -5.30 0.56 1
73 ASP -0.35 0.04 1
74 GLU 1.22 0.39 1
75 ASN 1.65 -0.14 1
76 ALA -1.59 -0.01 1
77 PHE -7.82 1.03 1
78 GLU -6.63 0.55 1
79 TYR 1.84 -0.30 1
80 VAL 1.59 -0.43 1
81 GLU -1.91 -0.09 1
82 ALA -4.55 1.33 1
83 ILE -4.68 0.43 1
84 SER -3.66 0.19 1
85 ASP -2.10 0.18 1
86 ASP 2.04 -0.19 1
88 VAL -3.86 0.66 1
89 PHE -2.77 0.31 1
90 VAL -4.32 0.74 1
91 ASN -3.57 -0.01 1
92 ALA -6.84 0.97 1
93 LYS -4.52 0.14 1
94 LYS 1.69 0.14 1
95 ILE 1.57 -0.05 1
96 GLU -5.15 0.10 1
97 ASP 4.14 -0.28 1
99 LYS -4.95 1.01 1
100 VAL -4.41 0.39 1
101 ARG -2.92 0.51 1
102 VAL -0.48 0.00 1
103 LEU -3.00 0.78 1
104 VAL -3.39 1.14 1
105 SER -2.65 0.83 1
106 SER -0.50 0.25 1
107 LEU -0.83 0.37 1
108 THR -0.86 0.05 1
110 GLU -1.57 0.13 1
112 LEU -0.27 -0.39 1
114 ALA -2.00 0.23 1
115 LYS 4.97 -0.39 1
116 GLU -5.81 0.20 1
117 VAL 4.75 -0.92 1
118 LEU -1.79 0.20 1
119 ALA -5.08 0.42 1
120 LYS -3.22 0.92 1
121 VAL 0.66 0.11 1
122 VAL 1.44 0.24 1
123 LEU -5.86 0.56 1
124 ARG -1.53 0.56 1
125 ALA -0.74 0.06 1
126 GLU -2.21 0.11 1
127 ALA -4.22 0.04 1
128 LYS 0.59 -0.74 1
129 ALA -1.93 0.07 1
130 GLU -2.49 0.31 1
132 SER -0.33 -0.30 1
133 ASN -0.34 0.17 1
134 LEU -4.32 0.89 1
135 SER -4.79 0.81 1
136 VAL -1.97 1.38 1
137 THR -5.38 0.57 1
138 ASN 2.77 -0.32 1
139 SER -3.80 1.33 1
140 SER -3.65 0.89 1
141 VAL -6.02 1.40 1
143 ASP -3.72 1.15 1
145 GLU -1.99 0.11 1
147 LEU 0.57 0.00 1
148 VAL -1.80 0.71 1
149 HIS -4.30 0.22 1
150 GLU 0.56 0.07 1
151 ILE -4.95 0.61 1
152 ALA 0.23 -0.01 1
154 THR -0.02 0.35 1
155 GLU -5.49 1.02 1
156 LYS -4.81 0.33 1
157 THR -3.09 1.09 1
158 VAL -5.61 0.46 1
159 ASN -2.84 0.68 1
160 ILE -0.18 0.96 1
161 ILE -4.01 0.42 1
162 GLU -1.38 -0.06 1
164 THR -0.44 0.06 1
165 SER 0.89 -0.19 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7270_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.82
_LACS_plot.Line_1_terminator_val_y_1 -2.37
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.42
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.27
_LACS_plot.Line_2_terminator_val_x_2 4.96
_LACS_plot.Line_2_terminator_val_y_2 0.35
_LACS_plot.Y_axis_chem_shift_offset 0.81
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
143 ASP -3.72 2.56 0
71 ASN -3.16 2.77 0
60 ASN 4.60 -2.39 0
84 SER -3.66 2.95 0
25 LEU 0.38 -0.19 1
26 LYS 0.54 -0.08 1
27 GLU -0.37 -0.47 1
28 ALA -0.23 -0.71 1
29 ALA -0.79 -0.68 1
30 GLU -0.39 -0.29 1
31 VAL 0.69 0.21 1
32 THR -4.12 -2.48 1
34 SER -2.85 -0.82 1
35 VAL -1.54 -1.55 1
36 SER -4.53 -2.74 1
37 LEU -5.83 -3.41 1
38 GLU -4.75 -2.63 1
39 ALA -3.61 -1.87 1
40 LEU -0.33 -1.66 1
41 GLU 0.86 0.32 1
42 GLU -6.19 -2.81 1
43 VAL -5.30 -4.08 1
44 GLN -2.55 0.13 1
45 VAL 4.55 0.41 1
47 GLU -3.01 -1.82 1
48 ASN -1.64 -0.43 1
49 LEU -4.76 -3.04 1
50 GLU -1.04 -1.26 1
51 VAL 1.75 -0.99 1
53 VAL -2.25 -0.83 1
55 ILE -1.79 -2.02 1
56 ASP 0.64 -0.77 1
57 GLU -5.05 -3.23 1
58 LEU -1.68 -3.42 1
59 VAL -1.30 -1.34 1
61 ALA -4.71 -3.22 1
62 GLU -4.23 -2.81 1
63 ALA -3.46 -2.08 1
64 PHE 0.84 -1.42 1
65 ALA -5.13 -1.85 1
66 TYR -6.27 -0.21 1
67 ASP -5.89 -2.00 1
68 PHE -1.10 -3.58 1
69 THR 4.49 -2.08 1
70 LEU -4.28 -3.80 1
72 TYR -5.30 1.82 1
73 ASP -0.35 0.99 1
74 GLU 1.22 -0.28 1
75 ASN 1.65 0.14 1
76 ALA -1.59 -2.25 1
77 PHE -7.82 -1.23 1
78 GLU -6.63 -0.65 1
79 TYR 1.84 -1.32 1
80 VAL 1.59 -1.52 1
81 GLU -1.91 -4.76 1
82 ALA -4.55 -1.69 1
83 ILE -4.68 -1.59 1
85 ASP -2.10 -0.21 1
86 ASP 2.04 0.80 1
88 VAL -3.86 -2.33 1
89 PHE -2.77 -1.83 1
90 VAL -4.32 -3.11 1
91 ASN -3.57 -2.00 1
92 ALA -6.84 -1.47 1
93 LYS -4.52 -2.43 1
94 LYS 1.69 -0.27 1
95 ILE 1.57 -0.66 1
96 GLU -5.15 -2.22 1
97 ASP 4.14 0.80 1
99 LYS -4.95 -1.85 1
100 VAL -4.41 -1.54 1
101 ARG -2.92 -1.53 1
102 VAL -0.48 -4.66 1
103 LEU -3.00 -1.19 1
104 VAL -3.39 -0.27 1
105 SER -2.65 -1.00 1
106 SER -0.50 2.33 1
107 LEU -0.83 0.68 1
108 THR -0.86 1.43 1
114 ALA -2.00 -0.31 1
115 LYS 4.97 -0.86 1
116 GLU -5.81 -0.49 1
117 VAL 4.75 -0.56 1
118 LEU -1.79 -1.39 1
119 ALA -5.08 -3.23 1
120 LYS -3.22 -1.26 1
121 VAL 0.66 -2.32 1
122 VAL 1.44 -2.11 1
123 LEU -5.86 -2.65 1
124 ARG -1.53 0.02 1
125 ALA -0.74 -0.51 1
126 GLU -2.21 -0.48 1
127 ALA -4.22 -4.40 1
128 LYS 0.59 -0.52 1
129 ALA -1.93 -2.83 1
130 GLU -2.49 0.79 1
132 SER -0.33 0.75 1
133 ASN -0.34 0.25 1
134 LEU -4.32 -2.36 1
135 SER -4.79 -1.01 1
136 VAL -1.97 -0.57 1
137 THR -5.38 -1.20 1
138 ASN 2.77 0.35 1
139 SER -3.80 1.15 1
140 SER -3.65 -1.98 1
141 VAL -6.02 -1.55 1
145 GLU -1.99 -0.08 1
147 LEU 0.57 -1.65 1
148 VAL -1.80 -0.56 1
149 HIS -4.30 0.68 1
150 GLU 0.56 -0.08 1
151 ILE -4.95 -1.83 1
152 ALA 0.23 -0.30 1
154 THR -0.02 -3.58 1
155 GLU -5.49 -2.36 1
156 LYS -4.81 -2.60 1
157 THR -3.09 -0.34 1
158 VAL -5.61 -3.50 1
159 ASN -2.84 -1.40 1
160 ILE -0.18 0.92 1
161 ILE -4.01 -1.44 1
162 GLU -1.38 0.06 1
164 THR -0.44 -0.60 1
stop_
save_