NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
40096 |
1ugl   |
5848 | cing | recoord | 2-parsed | STAR | distance | NOE | ambi |
data_1ugl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ugl
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1ugl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ugl
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1ugl "Master copy" parsed_1ugl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ugl
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1ugl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 2 distance NOE ambi 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 3 distance NOE ambi 393 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ugl 1
1 1ugl.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ugl 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ugl
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 6 1 7 1 7 parsed_1ugl 1
2 6 5 5 5 5 parsed_1ugl 1
3 6 8 5 8 5 parsed_1ugl 1
4 7 11 7 11 7 parsed_1ugl 1
5 7 15 5 15 5 parsed_1ugl 1
6 25 18 7 18 7 parsed_1ugl 1
7 25 22 5 22 5 parsed_1ugl 1
8 28 25 7 25 7 parsed_1ugl 1
9 28 29 5 29 5 parsed_1ugl 1
10 48 32 7 32 7 parsed_1ugl 1
11 48 36 5 36 5 parsed_1ugl 1
12 49 39 7 39 7 parsed_1ugl 1
13 49 43 5 43 5 parsed_1ugl 1
14 56 46 7 46 7 parsed_1ugl 1
15 56 50 5 50 5 parsed_1ugl 1
16 58 53 7 53 7 parsed_1ugl 1
17 58 57 5 57 5 parsed_1ugl 1
18 84 60 7 60 7 parsed_1ugl 1
19 84 64 5 64 5 parsed_1ugl 1
20 86 67 7 67 7 parsed_1ugl 1
21 86 71 5 71 5 parsed_1ugl 1
22 86 74 5 74 5 parsed_1ugl 1
23 89 77 7 77 7 parsed_1ugl 1
24 89 81 5 81 5 parsed_1ugl 1
25 104 84 7 84 7 parsed_1ugl 1
26 104 88 5 88 5 parsed_1ugl 1
27 123 91 7 91 7 parsed_1ugl 1
28 123 95 5 95 5 parsed_1ugl 1
29 130 98 7 98 7 parsed_1ugl 1
30 130 102 5 102 5 parsed_1ugl 1
31 140 105 7 105 7 parsed_1ugl 1
32 140 109 5 109 5 parsed_1ugl 1
33 144 112 7 112 7 parsed_1ugl 1
34 144 116 5 116 5 parsed_1ugl 1
35 150 119 7 119 7 parsed_1ugl 1
36 150 123 5 123 5 parsed_1ugl 1
37 150 126 5 126 5 parsed_1ugl 1
38 152 129 7 129 7 parsed_1ugl 1
39 152 133 5 133 5 parsed_1ugl 1
40 152 136 5 136 5 parsed_1ugl 1
41 174 139 7 139 7 parsed_1ugl 1
42 174 143 5 143 5 parsed_1ugl 1
43 182 146 7 146 7 parsed_1ugl 1
44 182 150 5 150 5 parsed_1ugl 1
45 183 153 7 153 7 parsed_1ugl 1
46 183 157 5 157 5 parsed_1ugl 1
47 193 160 7 160 7 parsed_1ugl 1
48 193 164 5 164 5 parsed_1ugl 1
49 206 167 7 167 7 parsed_1ugl 1
50 206 171 5 171 5 parsed_1ugl 1
51 225 174 7 174 7 parsed_1ugl 1
52 225 178 5 178 5 parsed_1ugl 1
53 244 181 7 181 7 parsed_1ugl 1
54 244 185 5 185 5 parsed_1ugl 1
55 262 188 7 188 7 parsed_1ugl 1
56 262 192 5 192 5 parsed_1ugl 1
57 262 195 5 195 5 parsed_1ugl 1
58 264 198 7 198 7 parsed_1ugl 1
59 264 202 5 202 5 parsed_1ugl 1
60 265 205 7 205 7 parsed_1ugl 1
61 265 209 5 209 5 parsed_1ugl 1
62 270 212 7 212 7 parsed_1ugl 1
63 270 216 5 216 5 parsed_1ugl 1
64 279 219 7 219 7 parsed_1ugl 1
65 279 223 5 223 5 parsed_1ugl 1
66 281 226 7 226 7 parsed_1ugl 1
67 281 230 5 230 5 parsed_1ugl 1
68 298 233 7 233 7 parsed_1ugl 1
69 298 237 5 237 5 parsed_1ugl 1
70 317 240 7 240 7 parsed_1ugl 1
71 317 244 5 244 5 parsed_1ugl 1
72 317 247 5 247 5 parsed_1ugl 1
73 339 250 7 250 7 parsed_1ugl 1
74 339 254 5 254 5 parsed_1ugl 1
75 340 257 7 257 7 parsed_1ugl 1
76 340 261 5 261 5 parsed_1ugl 1
77 362 264 7 264 7 parsed_1ugl 1
78 362 268 5 268 5 parsed_1ugl 1
79 362 271 5 271 5 parsed_1ugl 1
80 403 274 7 274 7 parsed_1ugl 1
81 403 278 5 278 5 parsed_1ugl 1
82 406 281 7 281 7 parsed_1ugl 1
83 406 285 5 285 5 parsed_1ugl 1
84 411 288 7 288 7 parsed_1ugl 1
85 411 292 5 292 5 parsed_1ugl 1
86 411 295 5 295 5 parsed_1ugl 1
87 418 298 7 298 7 parsed_1ugl 1
88 418 302 5 302 5 parsed_1ugl 1
89 433 305 7 305 7 parsed_1ugl 1
90 433 309 5 309 5 parsed_1ugl 1
91 433 312 5 312 5 parsed_1ugl 1
92 459 315 7 315 7 parsed_1ugl 1
93 459 319 5 319 5 parsed_1ugl 1
94 460 322 7 322 7 parsed_1ugl 1
95 460 326 5 326 5 parsed_1ugl 1
96 462 329 7 329 7 parsed_1ugl 1
97 462 333 5 333 5 parsed_1ugl 1
98 467 336 7 336 7 parsed_1ugl 1
99 467 340 5 340 5 parsed_1ugl 1
100 473 343 7 343 7 parsed_1ugl 1
101 473 347 5 347 5 parsed_1ugl 1
102 494 350 7 350 7 parsed_1ugl 1
103 494 354 5 354 5 parsed_1ugl 1
104 494 357 5 357 5 parsed_1ugl 1
105 527 360 7 360 7 parsed_1ugl 1
106 527 364 5 364 5 parsed_1ugl 1
107 537 367 7 367 7 parsed_1ugl 1
108 537 371 5 371 5 parsed_1ugl 1
109 547 374 7 374 7 parsed_1ugl 1
110 547 378 5 378 5 parsed_1ugl 1
111 550 381 7 381 7 parsed_1ugl 1
112 550 385 5 385 5 parsed_1ugl 1
113 552 388 7 388 7 parsed_1ugl 1
114 552 392 5 392 5 parsed_1ugl 1
115 561 395 7 395 7 parsed_1ugl 1
116 561 399 5 399 5 parsed_1ugl 1
117 568 402 7 402 7 parsed_1ugl 1
118 568 406 5 406 5 parsed_1ugl 1
119 568 409 5 409 5 parsed_1ugl 1
120 569 412 7 412 7 parsed_1ugl 1
121 569 416 5 416 5 parsed_1ugl 1
122 570 419 7 419 7 parsed_1ugl 1
123 570 423 5 423 5 parsed_1ugl 1
124 570 426 5 426 5 parsed_1ugl 1
125 572 429 7 429 7 parsed_1ugl 1
126 572 433 5 433 5 parsed_1ugl 1
127 573 436 7 436 7 parsed_1ugl 1
128 573 440 5 440 5 parsed_1ugl 1
129 573 443 5 443 5 parsed_1ugl 1
130 581 446 7 446 7 parsed_1ugl 1
131 581 450 5 450 5 parsed_1ugl 1
132 581 453 5 453 5 parsed_1ugl 1
133 593 456 7 456 7 parsed_1ugl 1
134 593 460 5 460 5 parsed_1ugl 1
135 599 463 7 463 7 parsed_1ugl 1
136 599 467 5 467 5 parsed_1ugl 1
137 599 470 5 470 5 parsed_1ugl 1
138 599 473 5 473 5 parsed_1ugl 1
139 599 476 5 476 5 parsed_1ugl 1
140 600 479 7 479 7 parsed_1ugl 1
141 600 483 5 483 5 parsed_1ugl 1
142 600 486 5 486 5 parsed_1ugl 1
143 621 489 7 489 7 parsed_1ugl 1
144 621 493 5 493 5 parsed_1ugl 1
145 638 496 7 496 7 parsed_1ugl 1
146 638 500 5 500 5 parsed_1ugl 1
147 638 503 5 503 5 parsed_1ugl 1
148 643 506 7 506 7 parsed_1ugl 1
149 643 510 5 510 5 parsed_1ugl 1
150 646 513 7 513 7 parsed_1ugl 1
151 646 517 5 517 5 parsed_1ugl 1
152 646 520 5 520 5 parsed_1ugl 1
153 646 523 5 523 5 parsed_1ugl 1
154 666 526 7 526 7 parsed_1ugl 1
155 666 530 5 530 5 parsed_1ugl 1
156 670 533 7 533 7 parsed_1ugl 1
157 670 537 5 537 5 parsed_1ugl 1
158 677 540 7 540 7 parsed_1ugl 1
159 677 544 5 544 5 parsed_1ugl 1
160 685 547 7 547 7 parsed_1ugl 1
161 685 551 5 551 5 parsed_1ugl 1
162 685 554 5 554 5 parsed_1ugl 1
163 700 557 7 557 7 parsed_1ugl 1
164 700 561 5 561 5 parsed_1ugl 1
165 700 564 5 564 5 parsed_1ugl 1
166 700 567 5 567 5 parsed_1ugl 1
167 710 570 7 570 7 parsed_1ugl 1
168 710 574 5 574 5 parsed_1ugl 1
169 713 577 7 577 7 parsed_1ugl 1
170 713 581 5 581 5 parsed_1ugl 1
171 718 584 7 584 7 parsed_1ugl 1
172 718 588 5 588 5 parsed_1ugl 1
173 719 591 7 591 7 parsed_1ugl 1
174 719 595 5 595 5 parsed_1ugl 1
175 737 598 7 598 7 parsed_1ugl 1
176 737 602 5 602 5 parsed_1ugl 1
177 737 605 5 605 5 parsed_1ugl 1
178 746 608 7 608 7 parsed_1ugl 1
179 746 612 5 612 5 parsed_1ugl 1
180 746 615 5 615 5 parsed_1ugl 1
181 747 618 7 618 7 parsed_1ugl 1
182 747 622 5 622 5 parsed_1ugl 1
183 747 625 5 625 5 parsed_1ugl 1
184 747 628 5 628 5 parsed_1ugl 1
185 748 631 7 631 7 parsed_1ugl 1
186 748 635 5 635 5 parsed_1ugl 1
187 750 638 7 638 7 parsed_1ugl 1
188 750 642 5 642 5 parsed_1ugl 1
189 750 645 5 645 5 parsed_1ugl 1
190 752 648 7 648 7 parsed_1ugl 1
191 752 652 5 652 5 parsed_1ugl 1
192 752 655 5 655 5 parsed_1ugl 1
193 752 658 5 658 5 parsed_1ugl 1
194 752 661 5 661 5 parsed_1ugl 1
195 754 664 7 664 7 parsed_1ugl 1
196 754 668 5 668 5 parsed_1ugl 1
197 754 671 5 671 5 parsed_1ugl 1
198 754 674 5 674 5 parsed_1ugl 1
199 758 677 7 677 7 parsed_1ugl 1
200 758 681 5 681 5 parsed_1ugl 1
201 759 684 7 684 7 parsed_1ugl 1
202 759 688 5 688 5 parsed_1ugl 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
ASSI { 6}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.100 .600 .600 peak 6 spectrum 1 weight .10000E+01 volume .91845E-02 ppm1 8.267 ppm2 4.857 CV
OR { 6}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
OR { 6}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
;
1 2 10 49 parsed_1ugl 1
2
;
ASSI { 7}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB ))
2.500 .800 .800 peak 7 spectrum 1 weight .10000E+01 volume .29048E-02 ppm1 8.269 ppm2 3.947 CV
OR { 7}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB ))
;
11 2 17 49 parsed_1ugl 1
3
;
ASSI { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB3 ))
2.400 .700 .700 peak 25 spectrum 1 weight .10000E+01 volume .43007E-02 ppm1 8.223 ppm2 1.605 CV
OR { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB3 ))
;
18 2 24 49 parsed_1ugl 1
4
;
ASSI { 28}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA2 ))
2.300 .700 .700 peak 28 spectrum 1 weight .10000E+01 volume .47016E-02 ppm1 8.182 ppm2 3.723 CV
OR { 28}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA2 ))
;
25 2 31 49 parsed_1ugl 1
5
;
ASSI { 48}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.300 .700 .700 peak 48 spectrum 1 weight .10000E+01 volume .46652E-02 ppm1 2.168 ppm2 4.003 CV
OR { 48}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
;
32 2 38 49 parsed_1ugl 1
6
;
ASSI { 49}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.200 .600 .600 peak 49 spectrum 1 weight .10000E+01 volume .71071E-02 ppm1 2.135 ppm2 4.001 CV
OR { 49}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
;
39 2 45 49 parsed_1ugl 1
7
;
ASSI { 56}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 22 and name HA ))
2.300 .700 .700 peak 56 spectrum 1 weight .10000E+01 volume .48838E-02 ppm1 1.923 ppm2 3.999 CV
OR { 56}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
;
46 2 52 49 parsed_1ugl 1
8
;
ASSI { 58}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HA ))
4.400 2.400 1.600 peak 58 spectrum 1 weight .10000E+01 volume .11481E-03 ppm1 2.888 ppm2 4.003 CV
OR { 58}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 38 and name HB3 ))
;
53 2 59 49 parsed_1ugl 1
9
;
ASSI { 84}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
2.400 .700 .700 peak 84 spectrum 1 weight .10000E+01 volume .45193E-02 ppm1 2.035 ppm2 4.454 CV
OR { 84}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
;
60 2 66 49 parsed_1ugl 1
10
;
ASSI { 86}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HA ))
2.700 .900 .900 peak 86 spectrum 1 weight .10000E+01 volume .21540E-02 ppm1 1.6 ppm2 4.46 CV
OR { 86}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HA ))
OR { 86}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HA ))
;
67 2 76 49 parsed_1ugl 1
11
;
ASSI { 89}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB3 ))
3.000 1.100 1.100 peak 89 spectrum 1 weight .10000E+01 volume .10861E-02 ppm1 8.556 ppm2 2.04 CV
OR { 89}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB2 ))
;
77 2 83 49 parsed_1ugl 1
12
;
ASSI { 104}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 34 and name HA ))
2.000 2.000 4.000 peak 104 spectrum 1 weight .10000E+01 volume .11043E-01 ppm1 1.175 ppm2 4.63 CV
OR { 104}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 18 and name HA ))
;
84 2 90 49 parsed_1ugl 1
13
;
ASSI { 123}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.400 .700 .700 peak 123 spectrum 1 weight .10000E+01 volume .40455E-02 ppm1 8.437 ppm2 4.295 CV
OR { 123}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
;
91 2 97 49 parsed_1ugl 1
14
;
ASSI { 130}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
2.600 .800 .800 peak 130 spectrum 1 weight .10000E+01 volume .28027E-02 ppm1 8.446 ppm2 1.951 CV
OR { 130}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
;
98 2 104 49 parsed_1ugl 1
15
;
ASSI { 140}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB3 ))
2.700 .900 .900 peak 140 spectrum 1 weight .10000E+01 volume .22561E-02 ppm1 8.522 ppm2 2.953 CV
OR { 140}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 12 and name HE2 ))
;
105 2 111 49 parsed_1ugl 1
16
;
ASSI { 144}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.500 .800 .800 peak 144 spectrum 1 weight .10000E+01 volume .30068E-02 ppm1 8.954 ppm2 2.485 CV
OR { 144}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
;
112 2 118 49 parsed_1ugl 1
17
;
ASSI { 150}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 46 and name HA ))
2.500 .800 .800 peak 150 spectrum 1 weight .10000E+01 volume .33859E-02 ppm1 2.971 ppm2 5.082 CV
OR { 150}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HA ))
OR { 150}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HA ))
;
119 2 128 49 parsed_1ugl 1
18
;
ASSI { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 25 and name HE2 ))
2.300 2.300 3.700 peak 152 spectrum 1 weight .10000E+01 volume .55763E-02 ppm1 7.198 ppm2 2.982 CV
OR { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 25 and name HE3 ))
OR { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 6 and name HB3 ))
;
129 2 138 49 parsed_1ugl 1
19
;
ASSI { 174}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.200 .600 .600 peak 174 spectrum 1 weight .10000E+01 volume .60501E-02 ppm1 7.974 ppm2 5.078 CV
OR { 174}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HA ))
;
139 2 145 49 parsed_1ugl 1
20
;
ASSI { 182}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
2.100 .600 .600 peak 182 spectrum 1 weight .10000E+01 volume .79818E-02 ppm1 9.023 ppm2 5.066 CV
OR { 182}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
;
146 2 152 49 parsed_1ugl 1
21
;
ASSI { 183}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.800 1.000 1.000 peak 183 spectrum 1 weight .10000E+01 volume .15453E-02 ppm1 8.627 ppm2 1.818 CV
OR { 183}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HB2 ))
;
153 2 159 49 parsed_1ugl 1
22
;
ASSI { 193}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HA ))
3.000 3.000 3.000 peak 193 spectrum 1 weight .10000E+01 volume .11481E-02 ppm1 8.812 ppm2 4.139 CV
OR { 193}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 20 and name HA ))
;
160 2 166 49 parsed_1ugl 1
23
;
ASSI { 206}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
2.600 2.600 3.400 peak 206 spectrum 1 weight .10000E+01 volume .23763E-02 ppm1 8.084 ppm2 1.563 CV
OR { 206}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HB3 ))
;
167 2 173 49 parsed_1ugl 1
24
;
ASSI { 225}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.200 .600 .600 peak 225 spectrum 1 weight .10000E+01 volume .69249E-02 ppm1 8.958 ppm2 5.433 CV
OR { 225}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
;
174 2 180 49 parsed_1ugl 1
25
;
ASSI { 244}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HA ))
2.700 .900 .900 peak 244 spectrum 1 weight .10000E+01 volume .22123E-02 ppm1 2.628 ppm2 4.444 CV
OR { 244}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HA ))
;
181 2 187 49 parsed_1ugl 1
26
;
ASSI { 262}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.100 .500 .500 peak 262 spectrum 1 weight .10000E+01 volume .92573E-02 ppm1 8.457 ppm2 4.447 CV
OR { 262}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
OR { 262}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
;
188 2 197 49 parsed_1ugl 1
27
;
ASSI { 264}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA1 ))
2.400 .700 .700 peak 264 spectrum 1 weight .10000E+01 volume .38269E-02 ppm1 8.158 ppm2 4.459 CV
OR { 264}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA1 ))
;
198 2 204 49 parsed_1ugl 1
28
;
ASSI { 265}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
2.200 .600 .600 peak 265 spectrum 1 weight .10000E+01 volume .69249E-02 ppm1 8.521 ppm2 4.842 CV
OR { 265}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 7 and name HA ))
;
205 2 211 49 parsed_1ugl 1
29
;
ASSI { 270}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG2%)
2.400 .700 .700 peak 270 spectrum 1 weight .10000E+01 volume .43736E-02 ppm1 8.248 ppm2 1.112 CV
OR { 270}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG3 ))
;
212 2 218 49 parsed_1ugl 1
30
;
ASSI { 279}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 279 spectrum 1 weight .10000E+01 volume .17166E-02 ppm1 8.028 ppm2 4.186 CV
OR { 279}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HA ))
;
219 2 225 49 parsed_1ugl 1
31
;
ASSI { 281}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 281 spectrum 1 weight .10000E+01 volume .92942E-03 ppm1 8.026 ppm2 4 CV
OR { 281}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HA ))
;
226 2 232 49 parsed_1ugl 1
32
;
ASSI { 298}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 298 spectrum 1 weight .10000E+01 volume .92210E-03 ppm1 7.957 ppm2 3.923 CV
OR { 298}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HB ))
;
233 2 239 49 parsed_1ugl 1
33
;
ASSI { 317}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HG2 ))
2.900 2.900 3.100 peak 317 spectrum 1 weight .10000E+01 volume .13194E-02 ppm1 8.269 ppm2 0.524 CV
OR { 317}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HG3 ))
OR { 317}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 12 and name HG2 ))
;
240 2 249 49 parsed_1ugl 1
34
;
ASSI { 339}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG3 ))
3.200 1.300 1.300 peak 339 spectrum 1 weight .10000E+01 volume .71071E-03 ppm1 8.441 ppm2 2.454 CV
OR { 339}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG3 ))
;
250 2 256 49 parsed_1ugl 1
35
;
ASSI { 340}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG2 ))
3.200 1.300 1.300 peak 340 spectrum 1 weight .10000E+01 volume .77630E-03 ppm1 8.441 ppm2 2.539 CV
OR { 340}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG2 ))
;
257 2 263 49 parsed_1ugl 1
36
;
ASSI { 362}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD2 ))
3.000 1.200 1.200 peak 362 spectrum 1 weight .10000E+01 volume .97675E-03 ppm1 8.222 ppm2 1.337 CV
OR { 362}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD3 ))
OR { 362}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HD2 ))
;
264 2 273 49 parsed_1ugl 1
37
;
ASSI { 403}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HD3 ))
3.200 1.300 1.300 peak 403 spectrum 1 weight .10000E+01 volume .76902E-03 ppm1 8.556 ppm2 3.656 CV
OR { 403}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HA1 ))
;
274 2 280 49 parsed_1ugl 1
38
;
ASSI { 406}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.900 2.900 3.100 peak 406 spectrum 1 weight .10000E+01 volume .12064E-02 ppm1 8.425 ppm2 2.882 CV
OR { 406}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 23 and name HE3 ))
;
281 2 287 49 parsed_1ugl 1
39
;
ASSI { 411}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HB3 ))
2.800 2.800 3.200 peak 411 spectrum 1 weight .10000E+01 volume .15052E-02 ppm1 8.431 ppm2 1.872 CV
OR { 411}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 15 and name HB3 ))
OR { 411}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 15 and name HB3 ))
;
288 2 297 49 parsed_1ugl 1
40
;
ASSI { 418}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB3 ))
2.800 1.000 1.000 peak 418 spectrum 1 weight .10000E+01 volume .15125E-02 ppm1 8.372 ppm2 1.624 CV
OR { 418}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
;
298 2 304 49 parsed_1ugl 1
41
;
ASSI { 433}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG2 ))
2.900 1.100 1.100 peak 433 spectrum 1 weight .10000E+01 volume .12829E-02 ppm1 8.084 ppm2 1.425 CV
OR { 433}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD3 ))
OR { 433}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG3 ))
;
305 2 314 49 parsed_1ugl 1
42
;
ASSI { 459}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB3 ))
3.200 3.200 2.800 peak 459 spectrum 1 weight .10000E+01 volume .73258E-03 ppm1 8.043 ppm2 3.13 CV
OR { 459}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 28 and name HB3 ))
;
315 2 321 49 parsed_1ugl 1
43
;
ASSI { 460}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG2 ))
2.900 1.100 1.100 peak 460 spectrum 1 weight .10000E+01 volume .11991E-02 ppm1 8.043 ppm2 1.612 CV
OR { 460}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HG3 ))
;
322 2 328 49 parsed_1ugl 1
44
;
ASSI { 462}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 43 and name HB3 ))
2.600 .800 .800 peak 462 spectrum 1 weight .10000E+01 volume .28538E-02 ppm1 8.662 ppm2 3.398 CV
OR { 462}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
;
329 2 335 49 parsed_1ugl 1
45
;
ASSI { 467}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.100 1.200 1.200 peak 467 spectrum 1 weight .10000E+01 volume .93671E-03 ppm1 8.849 ppm2 2.632 CV
OR { 467}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 46 and name HB3 ))
;
336 2 342 49 parsed_1ugl 1
46
;
ASSI { 473}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 33 and name HB3 ))
3.400 1.400 1.400 peak 473 spectrum 1 weight .10000E+01 volume .53576E-03 ppm1 2.624 ppm2 3.245 CV
OR { 473}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 33 and name HB3 ))
;
343 2 349 49 parsed_1ugl 1
47
;
ASSI { 494}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HA ))
3.000 3.000 3.000 peak 494 spectrum 1 weight .10000E+01 volume .11006E-02 ppm1 3.991 ppm2 4.187 CV
OR { 494}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HA ))
OR { 494}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HA ))
;
350 2 359 49 parsed_1ugl 1
48
;
ASSI { 527}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 24 and name HB2 ))
3.500 1.500 1.500 peak 527 spectrum 1 weight .10000E+01 volume .42278E-03 ppm1 7.193 ppm2 2.629 CV
OR { 527}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 30 and name HD3 ))
;
360 2 366 49 parsed_1ugl 1
49
;
ASSI { 537}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 16 and name HB2 ))
2.800 2.800 3.200 peak 537 spectrum 1 weight .10000E+01 volume .16766E-02 ppm1 10.035 ppm2 2.861 CV
OR { 537}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 37 and name HB3 ))
;
367 2 373 49 parsed_1ugl 1
50
;
ASSI { 547}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 45 and name HB3 ))
3.300 1.400 1.400 peak 547 spectrum 1 weight .10000E+01 volume .59407E-03 ppm1 6.696 ppm2 2.95 CV
OR { 547}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 24 and name HB3 ))
;
374 2 380 49 parsed_1ugl 1
51
;
ASSI { 550}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.900 1.000 1.000 peak 550 spectrum 1 weight .10000E+01 volume .13995E-02 ppm1 1.218 ppm2 3.996 CV
OR { 550}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 23 and name HA ))
;
381 2 387 49 parsed_1ugl 1
52
;
ASSI { 552}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 23 and name HB3 ))
2.700 2.700 3.300 peak 552 spectrum 1 weight .10000E+01 volume .18406E-02 ppm1 0.863 ppm2 1.933 CV
OR { 552}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 20 and name HG3 ))
;
388 2 394 49 parsed_1ugl 1
53
;
ASSI { 561}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 20 and name HA ))
2.500 2.500 3.500 peak 561 spectrum 1 weight .10000E+01 volume .36228E-02 ppm1 3.999 ppm2 4.134 CV
OR { 561}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 20 and name HA ))
;
395 2 401 49 parsed_1ugl 1
54
;
ASSI { 568}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 11 and name HD2 ))
2.600 2.600 3.400 peak 568 spectrum 1 weight .10000E+01 volume .23144E-02 ppm1 1.117 ppm2 3.095 CV
OR { 568}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 11 and name HD3 ))
OR { 568}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 11 and name HD2 ))
;
402 2 411 49 parsed_1ugl 1
55
;
ASSI { 569}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HA ))
2.700 2.700 3.300 peak 569 spectrum 1 weight .10000E+01 volume .20993E-02 ppm1 8.358 ppm2 4.008 CV
OR { 569}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HB ))
;
412 2 418 49 parsed_1ugl 1
56
;
ASSI { 570}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.600 .800 .800 peak 570 spectrum 1 weight .10000E+01 volume .27480E-02 ppm1 8.223 ppm2 1.565 CV
OR { 570}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 23 and name HG2 ))
OR { 570}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 11 and name HG3 ))
;
419 2 428 49 parsed_1ugl 1
57
;
ASSI { 572}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
2.600 .800 .800 peak 572 spectrum 1 weight .10000E+01 volume .26970E-02 ppm1 8.271 ppm2 2.975 CV
OR { 572}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HE3 ))
;
429 2 435 49 parsed_1ugl 1
58
;
ASSI { 573}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 45 and name HB3 ))
3.100 1.200 1.200 peak 573 spectrum 1 weight .10000E+01 volume .93671E-03 ppm1 8.25 ppm2 2.958 CV
OR { 573}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
OR { 573}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HE2 ))
;
436 2 445 49 parsed_1ugl 1
59
;
ASSI { 581}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HG3 ))
3.000 3.000 3.000 peak 581 spectrum 1 weight .10000E+01 volume .10569E-02 ppm1 7.974 ppm2 1.622 CV
OR { 581}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 30 and name HG2 ))
OR { 581}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 12 and name HB3 ))
;
446 2 455 49 parsed_1ugl 1
60
;
ASSI { 593}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 48 and name HA ))
3.500 1.500 1.500 peak 593 spectrum 1 weight .10000E+01 volume .45558E-03 ppm1 8.626 ppm2 4.303 CV
OR { 593}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HA ))
;
456 2 462 49 parsed_1ugl 1
61
;
ASSI { 599}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
2.000 2.000 4.000 peak 599 spectrum 1 weight .10000E+01 volume .13522E-01 ppm1 2.965 ppm2 3.278 CV
OR { 599}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
OR { 599}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
OR { 599}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
OR { 599}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
;
463 2 478 49 parsed_1ugl 1
62
;
ASSI { 600}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 23 and name HG2 ))
3.000 1.100 1.100 peak 600 spectrum 1 weight .10000E+01 volume .10423E-02 ppm1 0.607 ppm2 1.555 CV
OR { 600}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 23 and name HG2 ))
OR { 600}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 11 and name HG3 ))
;
479 2 488 49 parsed_1ugl 1
63
;
ASSI { 621}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
2.100 .500 .500 peak 621 spectrum 1 weight .10000E+01 volume .96586E-02 ppm1 2.653 ppm2 2.945 CV
OR { 621}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
;
489 2 495 49 parsed_1ugl 1
64
;
ASSI { 638}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG2 ))
1.900 .400 .400 peak 638 spectrum 1 weight .10000E+01 volume .19572E-01 ppm1 2.294 ppm2 2.148 CV
OR { 638}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB2 ))
OR { 638}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB3 ))
;
496 2 505 49 parsed_1ugl 1
65
;
ASSI { 643}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HB3 ))
2.600 .800 .800 peak 643 spectrum 1 weight .10000E+01 volume .26242E-02 ppm1 1.437 ppm2 1.921 CV
OR { 643}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HB3 ))
;
506 2 512 49 parsed_1ugl 1
66
;
ASSI { 646}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
2.600 .800 .800 peak 646 spectrum 1 weight .10000E+01 volume .26242E-02 ppm1 1.494 ppm2 1.817 CV
OR { 646}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 4 and name HB2 ))
OR { 646}
(( segid " " and resid 4 and name HG3 ))
(( segid " " and resid 4 and name HB3 ))
OR { 646}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HB2 ))
;
513 2 525 49 parsed_1ugl 1
67
;
ASSI { 666}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
2.300 .700 .700 peak 666 spectrum 1 weight .10000E+01 volume .51025E-02 ppm1 2.216 ppm2 4.011 CV
OR { 666}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 22 and name HA ))
;
526 2 532 49 parsed_1ugl 1
68
;
ASSI { 670}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.700 2.700 3.300 peak 670 spectrum 1 weight .10000E+01 volume .21831E-02 ppm1 1.948 ppm2 4.52 CV
OR { 670}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 15 and name HA ))
;
533 2 539 49 parsed_1ugl 1
69
;
ASSI { 677}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 28 and name HD% )
2.500 .800 .800 peak 677 spectrum 1 weight .10000E+01 volume .36228E-02 ppm1 2.969 ppm2 7.206 CV
OR { 677}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 28 and name HD% )
;
540 2 546 48 parsed_1ugl 1
70
;
ASSI { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
2.500 2.500 3.500 peak 685 spectrum 1 weight .10000E+01 volume .34004E-02 ppm1 2.155 ppm2 1.804 CV
OR { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
OR { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 4 and name HB3 ))
;
547 2 556 49 parsed_1ugl 1
71
;
ASSI { 700}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HG2 ))
3.100 1.200 1.200 peak 700 spectrum 1 weight .10000E+01 volume .80911E-03 ppm1 8.422 ppm2 1.423 CV
OR { 700}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 23 and name HD2 ))
OR { 700}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HG3 ))
OR { 700}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 15 and name HG2 ))
;
557 2 569 49 parsed_1ugl 1
72
;
ASSI { 710}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 43 and name HE1 ))
2.900 2.900 3.100 peak 710 spectrum 1 weight .10000E+01 volume .13121E-02 ppm1 1.685 ppm2 10.035 CV
OR { 710}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 43 and name HE1 ))
;
570 2 576 49 parsed_1ugl 1
73
;
ASSI { 713}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 29 and name HD3 ))
3.300 1.400 1.400 peak 713 spectrum 1 weight .10000E+01 volume .57950E-03 ppm1 7.228 ppm2 3.667 CV
OR { 713}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 9 and name HA2 ))
;
577 2 583 49 parsed_1ugl 1
74
;
ASSI { 718}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 44 and name HA ))
3.000 1.200 1.200 peak 718 spectrum 1 weight .10000E+01 volume .97675E-03 ppm1 8.369 ppm2 4.846 CV
OR { 718}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HA ))
;
584 2 590 49 parsed_1ugl 1
75
;
ASSI { 719}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 7 and name HN ))
2.900 1.000 1.000 peak 719 spectrum 1 weight .10000E+01 volume .13302E-02 ppm1 2.968 ppm2 8.278 CV
OR { 719}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
;
591 2 597 49 parsed_1ugl 1
76
;
ASSI { 737}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG2 ))
2.900 1.100 1.100 peak 737 spectrum 1 weight .10000E+01 volume .11918E-02 ppm1 8.344 ppm2 1.602 CV
OR { 737}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG3 ))
OR { 737}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB3 ))
;
598 2 607 49 parsed_1ugl 1
77
;
ASSI { 746}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HB3 ))
2.500 .800 .800 peak 746 spectrum 1 weight .10000E+01 volume .30870E-02 ppm1 1.317 ppm2 1.624 CV
OR { 746}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB3 ))
OR { 746}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 11 and name HB3 ))
;
608 2 617 49 parsed_1ugl 1
78
;
ASSI { 747}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 14 and name HA2 ))
3.400 1.400 1.400 peak 747 spectrum 1 weight .10000E+01 volume .55398E-03 ppm1 1.41 ppm2 3.721 CV
OR { 747}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 14 and name HA2 ))
OR { 747}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 44 and name HB2 ))
OR { 747}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 44 and name HB3 ))
;
618 2 630 49 parsed_1ugl 1
79
;
ASSI { 748}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.500 .800 .800 peak 748 spectrum 1 weight .10000E+01 volume .31015E-02 ppm1 1.926 ppm2 4.127 CV
OR { 748}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HA ))
;
631 2 637 49 parsed_1ugl 1
80
;
ASSI { 750}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.300 1.300 1.300 peak 750 spectrum 1 weight .10000E+01 volume .62323E-03 ppm1 8.27 ppm2 3.72 CV
OR { 750}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 44 and name HB2 ))
OR { 750}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 44 and name HB3 ))
;
638 2 647 49 parsed_1ugl 1
81
;
ASSI { 752}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HB3 ))
2.000 .500 .500 peak 752 spectrum 1 weight .10000E+01 volume .11408E-01 ppm1 1.609 ppm2 1.809 CV
OR { 752}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
OR { 752}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HB2 ))
OR { 752}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 4 and name HB2 ))
OR { 752}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
;
648 2 663 49 parsed_1ugl 1
82
;
ASSI { 754}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HD3 ))
2.100 .500 .500 peak 754 spectrum 1 weight .10000E+01 volume .10315E-01 ppm1 1.393 ppm2 1.636 CV
OR { 754}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
OR { 754}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HD2 ))
OR { 754}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HD2 ))
;
664 2 676 49 parsed_1ugl 1
83
;
ASSI { 758}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 27 and name HD1%)
3.200 1.300 1.300 peak 758 spectrum 1 weight .10000E+01 volume .70342E-03 ppm1 1.535 ppm2 0.754 CV
OR { 758}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 27 and name HD1%)
;
677 2 683 48 parsed_1ugl 1
84
;
ASSI { 759}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 27 and name HD2%)
3.200 1.300 1.300 peak 759 spectrum 1 weight .10000E+01 volume .69613E-03 ppm1 1.536 ppm2 0.709 CV
OR { 759}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 27 and name HD2%)
;
684 2 690 48 parsed_1ugl 1
stop_
save_
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