NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
398577 |
1tnn   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tnn
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 826
_Distance_constraint_stats_list.Viol_count 2297
_Distance_constraint_stats_list.Viol_total 4818.050
_Distance_constraint_stats_list.Viol_max 1.527
_Distance_constraint_stats_list.Viol_rms 0.0906
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0228
_Distance_constraint_stats_list.Viol_average_violations_only 0.1311
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.959 0.156 11 0 "[ . 1 . ]"
1 12 LEU 8.099 0.342 4 0 "[ . 1 . ]"
1 13 THR 0.911 0.093 5 0 "[ . 1 . ]"
1 14 LYS 0.414 0.072 5 0 "[ . 1 . ]"
1 15 PRO 0.321 0.092 7 0 "[ . 1 . ]"
1 16 ARG 0.383 0.090 10 0 "[ . 1 . ]"
1 17 SER 5.144 0.379 13 0 "[ . 1 . ]"
1 18 MET 5.881 0.379 13 0 "[ . 1 . ]"
1 19 THR 12.356 0.702 10 12 "[* *-*** *+*** .*]"
1 20 VAL 5.449 0.371 2 0 "[ . 1 . ]"
1 21 TYR 0.214 0.112 4 0 "[ . 1 . ]"
1 22 GLU 1.046 0.120 15 0 "[ . 1 . ]"
1 23 GLY 2.075 0.154 13 0 "[ . 1 . ]"
1 24 GLU 1.996 0.154 13 0 "[ . 1 . ]"
1 25 SER 3.027 0.172 11 0 "[ . 1 . ]"
1 26 ALA 3.319 0.244 8 0 "[ . 1 . ]"
1 27 ARG 2.339 0.228 5 0 "[ . 1 . ]"
1 28 PHE 1.595 0.234 10 0 "[ . 1 . ]"
1 29 SER 1.737 0.238 11 0 "[ . 1 . ]"
1 30 CYS 4.522 0.235 11 0 "[ . 1 . ]"
1 31 ASP 4.116 0.259 5 0 "[ . 1 . ]"
1 32 THR 5.369 0.666 12 2 "[ . 1 + -. ]"
1 33 ASP 9.281 0.342 4 0 "[ . 1 . ]"
1 34 GLY 3.415 0.212 11 0 "[ . 1 . ]"
1 35 GLU 0.192 0.055 3 0 "[ . 1 . ]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 37 VAL 6.136 0.558 5 2 "[ + 1 -. ]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 39 THR 1.772 0.164 12 0 "[ . 1 . ]"
1 40 VAL 0.917 0.164 12 0 "[ . 1 . ]"
1 41 THR 3.295 0.161 1 0 "[ . 1 . ]"
1 42 TRP 8.272 0.178 15 0 "[ . 1 . ]"
1 43 LEU 25.675 1.505 1 11 "[+**-*** ** * .*]"
1 44 ARG 8.435 0.439 12 0 "[ . 1 . ]"
1 45 LYS 2.714 0.439 12 0 "[ . 1 . ]"
1 46 GLY 0.883 0.162 14 0 "[ . 1 . ]"
1 47 GLN 2.102 0.266 11 0 "[ . 1 . ]"
1 48 VAL 1.617 0.266 11 0 "[ . 1 . ]"
1 49 LEU 11.524 0.975 4 3 "[ *+. 1- . ]"
1 50 SER 2.957 0.530 6 1 "[ .+ 1 . ]"
1 51 THR 14.893 1.198 9 12 "[ * *-* +*******]"
1 52 SER 3.417 0.429 5 0 "[ . 1 . ]"
1 53 ALA 1.505 0.153 15 0 "[ . 1 . ]"
1 54 ARG 3.948 0.815 16 1 "[ . 1 .+]"
1 55 HIS 4.267 0.285 16 0 "[ . 1 . ]"
1 56 GLN 1.965 0.163 1 0 "[ . 1 . ]"
1 57 VAL 15.110 1.198 9 11 "[ * - * +*******]"
1 58 THR 2.986 0.265 10 0 "[ . 1 . ]"
1 59 THR 1.887 0.255 10 0 "[ . 1 . ]"
1 60 THR 5.225 0.281 15 0 "[ . 1 . ]"
1 61 LYS 4.958 0.281 15 0 "[ . 1 . ]"
1 62 TYR 3.696 0.246 13 0 "[ . 1 . ]"
1 63 LYS 3.524 0.252 13 0 "[ . 1 . ]"
1 64 SER 10.668 0.255 10 0 "[ . 1 . ]"
1 65 THR 4.245 0.265 10 0 "[ . 1 . ]"
1 66 PHE 4.627 0.238 11 0 "[ . 1 . ]"
1 67 GLU 1.443 0.158 7 0 "[ . 1 . ]"
1 68 ILE 1.984 0.196 14 0 "[ . 1 . ]"
1 69 SER 2.180 0.165 5 0 "[ . 1 . ]"
1 70 SER 3.825 0.165 9 0 "[ . 1 . ]"
1 71 VAL 1.507 0.135 9 0 "[ . 1 . ]"
1 72 GLN 6.410 0.720 3 4 "[*-+ . 1 * . ]"
1 73 ALA 2.119 0.359 15 0 "[ . 1 . ]"
1 74 SER 1.671 0.258 13 0 "[ . 1 . ]"
1 75 ASP 5.998 0.497 10 0 "[ . 1 . ]"
1 76 GLU 9.966 0.497 10 0 "[ . 1 . ]"
1 77 GLY 14.432 0.508 6 1 "[ .+ 1 . ]"
1 78 ASN 10.348 0.313 12 0 "[ . 1 . ]"
1 79 TYR 5.317 0.270 7 0 "[ . 1 . ]"
1 80 SER 8.599 0.282 13 0 "[ . 1 . ]"
1 81 VAL 10.838 0.439 4 0 "[ . 1 . ]"
1 82 VAL 6.146 0.278 5 0 "[ . 1 . ]"
1 83 VAL 21.844 1.527 16 13 "[*- ***** ** ***+]"
1 84 GLU 19.676 1.527 16 13 "[** ***** ** **-+]"
1 85 ASN 3.042 0.173 14 0 "[ . 1 . ]"
1 86 SER 2.390 0.251 11 0 "[ . 1 . ]"
1 87 GLU 8.959 0.622 7 4 "[ . + 1 *-*. ]"
1 88 GLY 3.428 0.283 10 0 "[ . 1 . ]"
1 89 LYS 5.466 0.898 4 6 "[- +* * 1* * ]"
1 90 GLN 10.523 0.898 4 6 "[- +* * 1* * ]"
1 91 GLU 4.894 0.420 4 0 "[ . 1 . ]"
1 92 ALA 4.592 0.278 5 0 "[ . 1 . ]"
1 93 GLU 4.452 0.257 13 0 "[ . 1 . ]"
1 94 PHE 2.863 0.270 7 0 "[ . 1 . ]"
1 95 THR 4.248 0.257 6 0 "[ . 1 . ]"
1 96 LEU 14.126 0.696 7 2 "[ .-+ 1 . ]"
1 97 THR 16.030 0.763 3 7 "[ *+ .**- 1 * *. ]"
1 98 ILE 9.727 0.763 3 7 "[ *+ .**- 1 * *. ]"
1 99 GLN 2.679 0.413 10 0 "[ . 1 . ]"
1 100 LYS 2.408 0.413 10 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU HA 1 13 THR H 3.400 . 3.600 3.531 3.492 3.565 . 0 0 "[ . 1 . ]" 1
2 1 13 THR HA 1 14 LYS H 3.300 . 3.500 2.271 2.217 2.372 . 0 0 "[ . 1 . ]" 1
3 1 15 PRO HA 1 16 ARG H 2.700 . 2.900 2.373 2.214 2.794 . 0 0 "[ . 1 . ]" 1
4 1 16 ARG HA 1 17 SER H 2.900 . 3.100 2.885 2.802 3.010 . 0 0 "[ . 1 . ]" 1
5 1 17 SER HA 1 18 MET H 2.700 . 2.900 2.575 2.462 2.710 . 0 0 "[ . 1 . ]" 1
6 1 18 MET HA 1 19 THR H 2.900 . 3.100 2.619 2.542 2.728 . 0 0 "[ . 1 . ]" 1
7 1 19 THR HA 1 20 VAL H 2.600 . 2.800 2.250 2.204 2.347 . 0 0 "[ . 1 . ]" 1
8 1 20 VAL HA 1 21 TYR H 3.100 . 3.300 2.574 2.189 2.840 . 0 0 "[ . 1 . ]" 1
9 1 23 GLY HA3 1 24 GLU H 3.200 . 3.400 3.439 3.017 3.554 0.154 13 0 "[ . 1 . ]" 1
10 1 23 GLY HA2 1 24 GLU H 3.700 2.200 3.900 3.040 2.764 3.512 . 0 0 "[ . 1 . ]" 1
11 1 24 GLU HA 1 25 SER H 3.200 . 3.400 3.286 2.864 3.482 0.082 16 0 "[ . 1 . ]" 1
12 1 25 SER HA 1 26 ALA H 3.200 . 3.400 3.333 2.243 3.539 0.139 7 0 "[ . 1 . ]" 1
13 1 26 ALA HA 1 27 ARG H 2.700 . 2.900 2.685 2.205 3.128 0.228 5 0 "[ . 1 . ]" 1
14 1 27 ARG HA 1 28 PHE H 2.500 . 2.700 2.299 2.219 2.463 . 0 0 "[ . 1 . ]" 1
15 1 28 PHE HA 1 29 SER H 2.700 . 2.900 2.394 2.307 2.467 . 0 0 "[ . 1 . ]" 1
16 1 29 SER HA 1 30 CYS H 2.600 . 2.800 2.219 2.173 2.271 . 0 0 "[ . 1 . ]" 1
17 1 30 CYS HA 1 31 ASP H 2.500 . 2.700 2.567 2.422 2.705 0.005 14 0 "[ . 1 . ]" 1
18 1 31 ASP HA 1 32 THR H 2.500 . 2.700 2.373 2.305 2.558 . 0 0 "[ . 1 . ]" 1
19 1 32 THR HA 1 33 ASP H 2.350 . 2.550 2.255 2.213 2.305 . 0 0 "[ . 1 . ]" 1
20 1 33 ASP HA 1 34 GLY H 3.200 . 3.400 2.451 2.352 2.809 . 0 0 "[ . 1 . ]" 1
21 1 34 GLY HA3 1 35 GLU H 3.200 . 3.400 2.545 2.294 3.288 . 0 0 "[ . 1 . ]" 1
22 1 34 GLY HA2 1 35 GLU H 3.000 . 3.200 2.713 2.217 2.988 . 0 0 "[ . 1 . ]" 1
23 1 38 PRO HA 1 39 THR H 3.200 . 3.400 2.755 2.611 2.835 . 0 0 "[ . 1 . ]" 1
24 1 39 THR HA 1 40 VAL H 3.000 . 3.200 2.495 2.374 3.035 . 0 0 "[ . 1 . ]" 1
25 1 40 VAL HA 1 41 THR H 2.800 . 3.000 2.336 2.251 2.420 . 0 0 "[ . 1 . ]" 1
26 1 41 THR HA 1 42 TRP H 2.600 . 2.800 2.474 2.332 2.610 . 0 0 "[ . 1 . ]" 1
27 1 42 TRP HA 1 43 LEU H 2.800 . 3.000 2.248 2.204 2.276 . 0 0 "[ . 1 . ]" 1
28 1 43 LEU HA 1 44 ARG H 2.500 . 2.700 2.288 2.141 2.411 . 0 0 "[ . 1 . ]" 1
29 1 44 ARG HA 1 45 LYS H 2.800 . 3.000 2.718 2.275 3.439 0.439 12 0 "[ . 1 . ]" 1
30 1 46 GLY HA3 1 47 GLN H 3.600 2.100 3.800 3.503 3.455 3.560 . 0 0 "[ . 1 . ]" 1
31 1 46 GLY HA2 1 47 GLN H 3.300 . 3.500 2.826 2.312 3.083 . 0 0 "[ . 1 . ]" 1
32 1 47 GLN HA 1 48 VAL H 3.000 . 3.200 2.876 2.545 3.466 0.266 11 0 "[ . 1 . ]" 1
33 1 48 VAL HA 1 49 LEU H 2.900 . 3.100 2.612 2.185 3.038 . 0 0 "[ . 1 . ]" 1
34 1 49 LEU HA 1 50 SER H 3.200 . 3.400 3.161 2.256 3.531 0.131 4 0 "[ . 1 . ]" 1
35 1 50 SER HA 1 51 THR H 2.700 . 2.900 2.672 2.266 3.430 0.530 6 1 "[ .+ 1 . ]" 1
36 1 51 THR HA 1 52 SER H 3.500 . 3.700 2.714 2.417 3.539 . 0 0 "[ . 1 . ]" 1
37 1 52 SER HA 1 53 ALA H 3.400 . 3.600 3.394 2.598 3.607 0.007 2 0 "[ . 1 . ]" 1
38 1 53 ALA HA 1 54 ARG H 3.200 . 3.400 3.438 3.059 3.553 0.153 15 0 "[ . 1 . ]" 1
39 1 54 ARG H 1 55 HIS HA 4.600 3.100 4.800 4.518 4.183 4.816 0.016 2 0 "[ . 1 . ]" 1
40 1 54 ARG HA 1 55 HIS H 3.800 2.300 4.000 3.305 2.827 3.595 . 0 0 "[ . 1 . ]" 1
41 1 55 HIS HA 1 56 GLN H 2.900 . 3.100 2.392 2.208 2.678 . 0 0 "[ . 1 . ]" 1
42 1 57 VAL HA 1 58 THR H 2.200 . 2.400 2.438 2.282 2.554 0.154 11 0 "[ . 1 . ]" 1
43 1 58 THR HA 1 59 THR H 2.400 . 2.600 2.420 2.232 2.657 0.057 9 0 "[ . 1 . ]" 1
44 1 59 THR HA 1 60 THR H 2.500 . 2.700 2.388 2.184 2.734 0.034 14 0 "[ . 1 . ]" 1
45 1 60 THR HA 1 61 LYS H 2.200 . 2.400 2.542 2.451 2.681 0.281 15 0 "[ . 1 . ]" 1
46 1 61 LYS HA 1 62 TYR H 3.500 . 3.700 3.505 3.239 3.599 . 0 0 "[ . 1 . ]" 1
47 1 62 TYR HA 1 63 LYS H 2.900 . 3.100 3.111 2.982 3.181 0.081 8 0 "[ . 1 . ]" 1
48 1 63 LYS HA 1 64 SER H 2.300 . 2.500 2.387 2.226 2.697 0.197 16 0 "[ . 1 . ]" 1
49 1 64 SER HA 1 65 THR H 2.400 . 2.600 2.439 2.247 2.623 0.023 1 0 "[ . 1 . ]" 1
50 1 65 THR HA 1 66 PHE H 2.400 . 2.600 2.189 2.126 2.308 . 0 0 "[ . 1 . ]" 1
51 1 66 PHE HA 1 67 GLU H 2.400 . 2.600 2.233 2.188 2.331 . 0 0 "[ . 1 . ]" 1
52 1 67 GLU HA 1 68 ILE H 2.300 . 2.500 2.290 2.192 2.538 0.038 8 0 "[ . 1 . ]" 1
53 1 68 ILE HA 1 69 SER H 2.400 . 2.600 2.378 2.168 2.728 0.128 6 0 "[ . 1 . ]" 1
54 1 69 SER HA 1 70 SER H 2.800 . 3.000 2.614 2.228 3.108 0.108 4 0 "[ . 1 . ]" 1
55 1 70 SER HA 1 71 VAL H 2.700 . 2.900 2.871 2.543 2.986 0.086 13 0 "[ . 1 . ]" 1
56 1 71 VAL HA 1 72 GLN H 2.500 . 2.700 2.278 2.190 2.484 . 0 0 "[ . 1 . ]" 1
57 1 72 GLN HA 1 73 ALA H 2.600 . 2.800 2.706 2.191 2.942 0.142 1 0 "[ . 1 . ]" 1
58 1 73 ALA HA 1 74 SER H 3.400 . 3.600 3.274 2.593 3.570 . 0 0 "[ . 1 . ]" 1
59 1 74 SER HA 1 75 ASP H 2.450 . 2.650 2.465 2.214 2.885 0.235 8 0 "[ . 1 . ]" 1
60 1 75 ASP HA 1 76 GLU H 3.200 . 3.400 3.194 2.081 3.532 0.132 12 0 "[ . 1 . ]" 1
61 1 76 GLU HA 1 77 GLY H 3.100 . 3.300 2.991 2.081 3.508 0.208 13 0 "[ . 1 . ]" 1
62 1 77 GLY HA3 1 78 ASN H 2.800 . 3.000 2.470 2.124 3.217 0.217 7 0 "[ . 1 . ]" 1
63 1 77 GLY HA2 1 78 ASN H 3.200 . 3.400 3.429 3.091 3.561 0.161 13 0 "[ . 1 . ]" 1
64 1 78 ASN HA 1 79 TYR H 2.400 . 2.600 2.300 2.151 2.413 . 0 0 "[ . 1 . ]" 1
65 1 79 TYR HA 1 80 SER H 2.500 . 2.700 2.364 2.243 2.718 0.018 14 0 "[ . 1 . ]" 1
66 1 80 SER HA 1 81 VAL H 2.500 . 2.700 2.409 2.194 2.662 . 0 0 "[ . 1 . ]" 1
67 1 81 VAL HA 1 82 VAL H 2.350 . 2.550 2.230 2.203 2.251 . 0 0 "[ . 1 . ]" 1
68 1 82 VAL HA 1 83 VAL H 2.500 . 2.700 2.258 2.212 2.303 . 0 0 "[ . 1 . ]" 1
69 1 83 VAL HA 1 84 GLU H 2.300 . 2.500 2.235 2.187 2.497 . 0 0 "[ . 1 . ]" 1
70 1 84 GLU HA 1 85 ASN H 2.800 . 3.000 2.686 2.265 3.005 0.005 5 0 "[ . 1 . ]" 1
71 1 85 ASN HA 1 86 SER H 3.200 . 3.400 2.542 2.427 2.657 . 0 0 "[ . 1 . ]" 1
72 1 86 SER HA 1 87 GLU H 3.000 . 3.200 3.298 3.027 3.451 0.251 11 0 "[ . 1 . ]" 1
73 1 87 GLU HA 1 88 GLY H 3.000 . 3.200 3.097 2.786 3.483 0.283 10 0 "[ . 1 . ]" 1
74 1 88 GLY HA3 1 89 LYS H 2.400 . 2.600 2.548 2.404 2.610 0.010 9 0 "[ . 1 . ]" 1
75 1 88 GLY HA2 1 89 LYS H 2.500 . 2.700 2.654 2.566 2.769 0.069 10 0 "[ . 1 . ]" 1
76 1 89 LYS HA 1 90 GLN H 2.500 . 2.700 2.312 2.223 2.485 . 0 0 "[ . 1 . ]" 1
77 1 90 GLN HA 1 91 GLU H 2.400 . 2.600 2.630 2.328 2.701 0.101 16 0 "[ . 1 . ]" 1
78 1 91 GLU HA 1 92 ALA H 2.400 . 2.600 2.422 2.169 2.608 0.008 13 0 "[ . 1 . ]" 1
79 1 92 ALA HA 1 93 GLU H 2.350 . 2.550 2.508 2.251 2.658 0.108 3 0 "[ . 1 . ]" 1
80 1 93 GLU HA 1 94 PHE H 2.300 . 2.500 2.282 2.223 2.319 . 0 0 "[ . 1 . ]" 1
81 1 94 PHE HA 1 95 THR H 2.800 . 3.000 2.835 2.555 2.998 . 0 0 "[ . 1 . ]" 1
82 1 95 THR HA 1 96 LEU H 2.250 . 2.450 2.177 2.087 2.439 . 0 0 "[ . 1 . ]" 1
83 1 96 LEU HA 1 97 THR H 2.300 . 2.500 2.399 2.249 2.501 0.001 8 0 "[ . 1 . ]" 1
84 1 97 THR HA 1 98 ILE H 2.300 . 2.500 2.493 2.227 2.675 0.175 11 0 "[ . 1 . ]" 1
85 1 98 ILE HA 1 99 GLN H 2.400 . 2.600 2.404 2.187 2.635 0.035 3 0 "[ . 1 . ]" 1
86 1 99 GLN HA 1 100 LYS H 2.300 . 2.500 2.427 2.232 2.726 0.226 10 0 "[ . 1 . ]" 1
87 1 11 ILE H 1 11 ILE HA 2.600 . 2.800 2.398 2.351 2.956 0.156 11 0 "[ . 1 . ]" 1
88 1 12 LEU H 1 12 LEU HA 2.650 . 2.850 2.829 2.778 2.952 0.102 4 0 "[ . 1 . ]" 1
89 1 13 THR H 1 13 THR HA 2.700 . 2.900 2.940 2.927 2.964 0.064 10 0 "[ . 1 . ]" 1
90 1 14 LYS H 1 14 LYS HA 2.900 . 3.100 2.973 2.930 2.999 . 0 0 "[ . 1 . ]" 1
91 1 16 ARG H 1 16 ARG HA 2.700 . 2.900 2.907 2.843 2.990 0.090 10 0 "[ . 1 . ]" 1
92 1 18 MET H 1 18 MET HA 2.900 2.600 3.100 2.838 2.790 2.857 . 0 0 "[ . 1 . ]" 1
93 1 19 THR H 1 19 THR HA 3.100 2.800 3.300 2.974 2.911 3.002 . 0 0 "[ . 1 . ]" 1
94 1 20 VAL H 1 20 VAL HA 2.800 2.500 3.000 2.987 2.919 3.009 0.009 4 0 "[ . 1 . ]" 1
95 1 22 GLU H 1 22 GLU HA 3.000 . 3.200 2.887 2.861 2.953 . 0 0 "[ . 1 . ]" 1
96 1 25 SER H 1 25 SER HA 2.800 . 3.000 2.842 2.364 2.964 . 0 0 "[ . 1 . ]" 1
97 1 26 ALA H 1 26 ALA HA 2.500 . 2.700 2.478 2.350 2.944 0.244 8 0 "[ . 1 . ]" 1
98 1 28 PHE H 1 28 PHE HA 3.200 2.700 3.400 2.975 2.916 2.999 . 0 0 "[ . 1 . ]" 1
99 1 29 SER H 1 29 SER HA 3.200 2.900 3.400 2.938 2.876 2.977 0.024 12 0 "[ . 1 . ]" 1
100 1 30 CYS H 1 30 CYS HA 3.200 2.900 3.400 2.989 2.975 3.005 . 0 0 "[ . 1 . ]" 1
101 1 31 ASP H 1 31 ASP HA 3.100 2.800 3.300 2.990 2.954 3.006 . 0 0 "[ . 1 . ]" 1
102 1 32 THR H 1 32 THR HA 3.200 2.900 3.400 2.949 2.905 2.997 . 0 0 "[ . 1 . ]" 1
103 1 33 ASP H 1 33 ASP HA 2.700 . 2.900 2.955 2.844 2.994 0.094 5 0 "[ . 1 . ]" 1
104 1 34 GLY H 1 34 GLY HA3 2.900 . 3.100 2.803 2.663 2.861 . 0 0 "[ . 1 . ]" 1
105 1 37 VAL H 1 37 VAL HA 2.900 . 3.100 2.384 2.326 2.740 . 0 0 "[ . 1 . ]" 1
106 1 39 THR H 1 39 THR HA 3.000 2.700 3.200 2.999 2.992 3.005 . 0 0 "[ . 1 . ]" 1
107 1 41 THR H 1 41 THR HA 3.200 2.900 3.400 2.979 2.964 2.988 . 0 0 "[ . 1 . ]" 1
108 1 42 TRP H 1 42 TRP HA 3.300 3.000 3.500 2.865 2.834 2.894 0.166 10 0 "[ . 1 . ]" 1
109 1 43 LEU H 1 43 LEU HA 3.050 2.750 3.250 2.849 2.809 2.887 . 0 0 "[ . 1 . ]" 1
110 1 45 LYS H 1 45 LYS HA 2.300 . 2.500 2.467 2.363 2.900 0.400 14 0 "[ . 1 . ]" 1
111 1 46 GLY H 1 46 GLY HA3 2.600 . 2.800 2.669 2.513 2.962 0.162 14 0 "[ . 1 . ]" 1
112 1 48 VAL H 1 48 VAL HA 2.600 . 2.800 2.426 2.325 2.920 0.120 3 0 "[ . 1 . ]" 1
113 1 50 SER H 1 50 SER HA 2.600 . 2.800 2.597 2.362 2.957 0.157 10 0 "[ . 1 . ]" 1
114 1 51 THR H 1 51 THR HA 2.800 . 3.000 2.580 2.358 2.996 . 0 0 "[ . 1 . ]" 1
115 1 52 SER H 1 52 SER HA 2.700 . 2.900 2.898 2.377 2.987 0.087 4 0 "[ . 1 . ]" 1
116 1 53 ALA H 1 53 ALA HA 2.800 . 3.000 2.796 2.361 2.990 . 0 0 "[ . 1 . ]" 1
117 1 54 ARG H 1 54 ARG HA 2.800 . 3.000 2.959 2.851 3.000 0.000 13 0 "[ . 1 . ]" 1
118 1 55 HIS H 1 55 HIS HA 2.950 . 3.150 2.957 2.852 3.005 . 0 0 "[ . 1 . ]" 1
119 1 56 GLN H 1 56 GLN HA 2.800 2.500 3.000 2.984 2.963 3.000 . 0 0 "[ . 1 . ]" 1
120 1 57 VAL H 1 57 VAL HA 3.000 2.700 3.200 2.861 2.780 2.997 . 0 0 "[ . 1 . ]" 1
121 1 58 THR H 1 58 THR HA 2.900 2.600 3.100 2.910 2.856 2.970 . 0 0 "[ . 1 . ]" 1
122 1 59 THR H 1 59 THR HA 3.100 2.800 3.300 2.931 2.829 2.996 . 0 0 "[ . 1 . ]" 1
123 1 60 THR H 1 60 THR HA 2.800 2.500 3.000 2.966 2.899 3.005 0.005 8 0 "[ . 1 . ]" 1
124 1 61 LYS H 1 61 LYS HA 2.850 . 3.050 2.662 2.372 2.796 . 0 0 "[ . 1 . ]" 1
125 1 62 TYR H 1 62 TYR HA 2.800 . 3.000 2.998 2.989 3.004 0.004 4 0 "[ . 1 . ]" 1
126 1 63 LYS H 1 63 LYS HA 3.050 2.750 3.250 2.970 2.918 2.994 . 0 0 "[ . 1 . ]" 1
127 1 64 SER H 1 64 SER HA 3.300 3.000 3.500 2.974 2.942 2.995 0.058 2 0 "[ . 1 . ]" 1
128 1 65 THR H 1 65 THR HA 3.100 2.800 3.300 2.949 2.842 2.982 . 0 0 "[ . 1 . ]" 1
129 1 66 PHE H 1 66 PHE HA 3.300 3.000 3.500 2.986 2.970 3.003 0.030 4 0 "[ . 1 . ]" 1
130 1 67 GLU H 1 67 GLU HA 3.000 2.700 3.200 3.004 2.969 3.024 . 0 0 "[ . 1 . ]" 1
131 1 70 SER H 1 70 SER HA 2.550 . 2.750 2.555 2.350 2.906 0.156 2 0 "[ . 1 . ]" 1
132 1 71 VAL H 1 71 VAL HA 2.900 . 3.100 2.834 2.718 2.938 . 0 0 "[ . 1 . ]" 1
133 1 73 ALA H 1 73 ALA HA 2.800 . 3.000 2.749 2.357 2.969 . 0 0 "[ . 1 . ]" 1
134 1 75 ASP H 1 75 ASP HA 2.800 . 3.000 2.911 2.334 3.001 0.001 15 0 "[ . 1 . ]" 1
135 1 76 GLU H 1 76 GLU HA 2.700 . 2.900 2.457 2.297 2.963 0.063 1 0 "[ . 1 . ]" 1
136 1 77 GLY H 1 77 GLY HA3 2.750 . 2.950 2.610 2.300 2.981 0.031 11 0 "[ . 1 . ]" 1
137 1 77 GLY H 1 77 GLY HA2 2.600 . 2.800 2.715 2.279 2.926 0.126 3 0 "[ . 1 . ]" 1
138 1 78 ASN H 1 78 ASN HA 3.000 . 3.200 2.634 2.500 2.822 . 0 0 "[ . 1 . ]" 1
139 1 79 TYR H 1 79 TYR HA 3.000 2.700 3.200 2.988 2.960 3.011 . 0 0 "[ . 1 . ]" 1
140 1 80 SER H 1 80 SER HA 3.200 2.900 3.400 2.993 2.864 3.021 0.036 12 0 "[ . 1 . ]" 1
141 1 81 VAL H 1 81 VAL HA 3.000 2.700 3.200 2.988 2.967 3.000 . 0 0 "[ . 1 . ]" 1
142 1 82 VAL H 1 82 VAL HA 3.200 2.900 3.400 2.961 2.936 2.980 . 0 0 "[ . 1 . ]" 1
143 1 83 VAL H 1 83 VAL HA 3.100 2.800 3.300 2.986 2.976 2.995 . 0 0 "[ . 1 . ]" 1
144 1 84 GLU H 1 84 GLU HA 3.100 2.800 3.300 2.952 2.889 3.003 . 0 0 "[ . 1 . ]" 1
145 1 85 ASN H 1 85 ASN HA 2.600 2.300 2.800 2.944 2.870 2.973 0.173 14 0 "[ . 1 . ]" 1
146 1 86 SER H 1 86 SER HA 2.600 . 2.800 2.636 2.366 2.867 0.067 9 0 "[ . 1 . ]" 1
147 1 87 GLU H 1 87 GLU HA 2.600 . 2.800 2.883 2.784 2.958 0.158 9 0 "[ . 1 . ]" 1
148 1 88 GLY H 1 88 GLY HA3 3.000 2.700 3.200 2.704 2.507 2.946 0.193 1 0 "[ . 1 . ]" 1
149 1 88 GLY H 1 88 GLY HA2 3.200 2.900 3.400 2.931 2.768 3.010 0.132 9 0 "[ . 1 . ]" 1
150 1 89 LYS H 1 89 LYS HA 3.100 2.800 3.300 2.962 2.900 3.003 . 0 0 "[ . 1 . ]" 1
151 1 90 GLN H 1 90 GLN HA 3.000 2.700 3.200 2.957 2.880 2.994 . 0 0 "[ . 1 . ]" 1
152 1 91 GLU H 1 91 GLU HA 2.900 2.600 3.100 2.897 2.880 2.996 . 0 0 "[ . 1 . ]" 1
153 1 92 ALA H 1 92 ALA HA 3.000 2.700 3.200 2.984 2.960 3.007 . 0 0 "[ . 1 . ]" 1
154 1 93 GLU H 1 93 GLU HA 3.000 2.700 3.200 2.954 2.915 2.999 . 0 0 "[ . 1 . ]" 1
155 1 94 PHE H 1 94 PHE HA 3.000 2.700 3.200 2.928 2.897 2.983 . 0 0 "[ . 1 . ]" 1
156 1 95 THR H 1 95 THR HA 3.200 2.900 3.400 2.951 2.927 2.967 . 0 0 "[ . 1 . ]" 1
157 1 96 LEU H 1 96 LEU HA 2.900 2.600 3.100 2.993 2.901 3.028 . 0 0 "[ . 1 . ]" 1
158 1 97 THR H 1 97 THR HA 3.000 2.700 3.200 2.940 2.909 3.008 . 0 0 "[ . 1 . ]" 1
159 1 99 GLN H 1 99 GLN HA 2.600 . 2.800 2.797 2.358 2.974 0.174 1 0 "[ . 1 . ]" 1
160 1 100 LYS H 1 100 LYS HA 2.500 . 2.700 2.731 2.364 2.818 0.118 11 0 "[ . 1 . ]" 1
161 1 12 LEU H 1 12 LEU HB2 3.600 2.100 3.800 2.180 2.012 2.790 0.088 5 0 "[ . 1 . ]" 1
162 1 12 LEU H 1 12 LEU HB3 3.300 . 3.500 3.456 3.386 3.638 0.138 4 0 "[ . 1 . ]" 1
163 1 12 LEU H 1 12 LEU HG 3.500 . 3.700 3.607 1.888 3.909 0.209 15 0 "[ . 1 . ]" 1
164 1 13 THR H 1 13 THR HB 2.800 . 3.000 2.907 2.715 3.012 0.012 6 0 "[ . 1 . ]" 1
165 1 17 SER H 1 17 SER HB2 3.400 . 3.600 2.854 2.470 3.704 0.104 10 0 "[ . 1 . ]" 1
166 1 17 SER H 1 17 SER HB3 3.700 2.200 3.900 3.778 2.571 3.933 0.033 14 0 "[ . 1 . ]" 1
167 1 17 SER HA 1 17 SER HB2 2.500 . 2.700 2.952 2.512 2.994 0.294 2 0 "[ . 1 . ]" 1
168 1 17 SER HA 1 17 SER HB3 3.000 . 3.200 2.427 2.291 3.025 . 0 0 "[ . 1 . ]" 1
169 1 18 MET H 1 18 MET HG2 4.000 2.500 4.200 2.771 2.478 4.458 0.258 8 0 "[ . 1 . ]" 1
170 1 18 MET H 1 18 MET HG3 4.300 2.800 4.500 3.935 3.211 4.628 0.128 8 0 "[ . 1 . ]" 1
171 1 18 MET HA 1 18 MET HB3 2.700 . 2.900 2.429 2.343 2.893 . 0 0 "[ . 1 . ]" 1
172 1 18 MET HA 1 18 MET HB2 3.000 . 3.200 2.621 2.548 2.825 . 0 0 "[ . 1 . ]" 1
173 1 19 THR H 1 19 THR HB 3.000 . 3.200 2.738 2.592 2.919 . 0 0 "[ . 1 . ]" 1
174 1 19 THR H 1 19 THR MG 4.500 3.000 4.700 3.892 3.834 3.961 . 0 0 "[ . 1 . ]" 1
175 1 19 THR HA 1 19 THR HB 2.800 . 3.000 3.036 3.030 3.041 0.041 15 0 "[ . 1 . ]" 1
176 1 19 THR HA 1 19 THR MG 4.400 2.900 4.600 2.338 2.198 2.487 0.702 10 12 "[* *-*** *+*** .*]" 1
177 1 20 VAL H 1 20 VAL HB 3.800 2.300 4.000 3.660 3.582 3.815 . 0 0 "[ . 1 . ]" 1
178 1 21 TYR H 1 21 TYR HB3 3.500 . 3.700 3.326 2.576 3.535 . 0 0 "[ . 1 . ]" 1
179 1 21 TYR H 1 21 TYR HB2 3.300 . 3.500 2.181 1.947 2.451 . 0 0 "[ . 1 . ]" 1
180 1 21 TYR HA 1 21 TYR HB3 2.700 . 2.900 2.772 2.651 3.012 0.112 4 0 "[ . 1 . ]" 1
181 1 21 TYR HA 1 21 TYR HB2 2.900 . 3.100 2.917 2.588 3.004 . 0 0 "[ . 1 . ]" 1
182 1 22 GLU HA 1 22 GLU HG3 3.600 2.100 3.800 3.002 2.100 3.920 0.120 15 0 "[ . 1 . ]" 1
183 1 22 GLU HA 1 22 GLU HG2 3.800 2.300 4.000 3.046 2.409 3.797 . 0 0 "[ . 1 . ]" 1
184 1 25 SER HA 1 25 SER HB3 2.600 . 2.800 2.665 2.284 2.972 0.172 11 0 "[ . 1 . ]" 1
185 1 25 SER HA 1 25 SER HB2 2.900 . 3.100 2.840 2.303 3.031 . 0 0 "[ . 1 . ]" 1
186 1 28 PHE H 1 28 PHE QB 3.800 2.300 4.000 2.448 2.066 2.718 0.234 10 0 "[ . 1 . ]" 1
187 1 29 SER H 1 29 SER QB 3.500 . 3.700 2.580 2.184 3.382 . 0 0 "[ . 1 . ]" 1
188 1 30 CYS H 1 30 CYS HB3 3.000 . 3.200 2.761 2.327 3.124 . 0 0 "[ . 1 . ]" 1
189 1 30 CYS H 1 30 CYS HB2 3.400 . 3.600 3.380 2.366 3.747 0.147 4 0 "[ . 1 . ]" 1
190 1 31 ASP H 1 31 ASP HB3 3.200 . 3.400 2.771 2.560 3.659 0.259 5 0 "[ . 1 . ]" 1
191 1 31 ASP H 1 31 ASP HB2 3.400 . 3.600 3.023 2.472 3.316 . 0 0 "[ . 1 . ]" 1
192 1 31 ASP HA 1 31 ASP HB3 2.800 . 3.000 3.000 2.473 3.039 0.039 6 0 "[ . 1 . ]" 1
193 1 32 THR H 1 32 THR MG 4.100 2.600 4.300 2.781 1.934 3.319 0.666 12 2 "[ . 1 + -. ]" 1
194 1 33 ASP H 1 33 ASP HB2 3.400 . 3.600 3.263 2.747 3.715 0.115 14 0 "[ . 1 . ]" 1
195 1 37 VAL H 1 37 VAL HB 3.200 . 3.400 3.351 2.430 3.501 0.101 6 0 "[ . 1 . ]" 1
196 1 37 VAL H 1 37 VAL MG1 4.300 2.800 4.500 3.908 3.708 3.950 . 0 0 "[ . 1 . ]" 1
197 1 37 VAL H 1 37 VAL MG2 4.100 2.600 4.300 2.329 2.042 2.515 0.558 5 2 "[ + 1 -. ]" 1
198 1 39 THR H 1 39 THR HB 3.200 . 3.400 3.078 2.855 3.457 0.057 2 0 "[ . 1 . ]" 1
199 1 40 VAL H 1 40 VAL MG2 4.500 3.000 4.700 3.946 3.883 4.047 . 0 0 "[ . 1 . ]" 1
200 1 42 TRP H 1 42 TRP HB3 3.600 2.100 3.800 3.541 3.518 3.552 . 0 0 "[ . 1 . ]" 1
201 1 42 TRP H 1 42 TRP HB2 4.000 2.500 4.200 2.390 2.329 2.451 0.171 16 0 "[ . 1 . ]" 1
202 1 43 LEU H 1 43 LEU QB 3.500 . 3.700 3.237 3.129 3.450 . 0 0 "[ . 1 . ]" 1
203 1 43 LEU H 1 43 LEU HG 3.900 2.400 4.100 3.444 2.349 4.116 0.051 15 0 "[ . 1 . ]" 1
204 1 43 LEU H 1 43 LEU QD . 3.600 4.900 2.506 2.095 3.328 1.505 1 11 "[+**-*** ** * .*]" 1
205 1 44 ARG H 1 44 ARG HB3 3.400 . 3.600 3.135 2.099 3.623 0.023 11 0 "[ . 1 . ]" 1
206 1 44 ARG H 1 44 ARG HB2 2.800 . 3.000 3.016 2.940 3.114 0.114 15 0 "[ . 1 . ]" 1
207 1 44 ARG HA 1 44 ARG HB3 2.500 . 2.700 2.891 2.823 2.996 0.296 15 0 "[ . 1 . ]" 1
208 1 44 ARG HA 1 44 ARG HB2 3.000 . 3.200 2.655 2.333 2.832 . 0 0 "[ . 1 . ]" 1
209 1 44 ARG H 1 44 ARG QG 4.300 2.800 4.500 4.014 3.698 4.146 . 0 0 "[ . 1 . ]" 1
210 1 49 LEU H 1 49 LEU MD2 5.000 3.500 5.200 3.394 2.525 4.171 0.975 4 3 "[ *+. 1- . ]" 1
211 1 50 SER H 1 50 SER QB 3.600 2.100 3.800 2.605 2.063 3.273 0.037 15 0 "[ . 1 . ]" 1
212 1 54 ARG H 1 54 ARG QG 4.800 3.300 5.000 3.489 2.485 4.099 0.815 16 1 "[ . 1 .+]" 1
213 1 55 HIS H 1 55 HIS HB2 3.000 . 3.200 2.540 2.244 2.924 . 0 0 "[ . 1 . ]" 1
214 1 55 HIS H 1 55 HIS HB3 3.500 . 3.700 3.618 3.526 3.873 0.173 7 0 "[ . 1 . ]" 1
215 1 55 HIS HA 1 55 HIS HB2 2.800 . 3.000 3.018 2.990 3.034 0.034 3 0 "[ . 1 . ]" 1
216 1 55 HIS HA 1 55 HIS HB3 2.900 . 3.100 2.455 2.310 2.586 . 0 0 "[ . 1 . ]" 1
217 1 56 GLN H 1 56 GLN QB 3.600 2.100 3.800 2.412 2.122 2.893 . 0 0 "[ . 1 . ]" 1
218 1 58 THR H 1 58 THR MG 3.600 2.100 3.800 2.754 2.396 3.092 . 0 0 "[ . 1 . ]" 1
219 1 59 THR HA 1 59 THR HB 2.800 . 3.000 2.928 2.491 3.035 0.035 7 0 "[ . 1 . ]" 1
220 1 60 THR H 1 60 THR HB 3.600 2.100 3.800 3.129 2.801 3.824 0.024 5 0 "[ . 1 . ]" 1
221 1 61 LYS HA 1 61 LYS HB3 3.000 . 3.200 2.756 2.408 2.891 . 0 0 "[ . 1 . ]" 1
222 1 61 LYS HA 1 61 LYS HB2 2.600 . 2.800 2.755 2.489 2.860 0.060 10 0 "[ . 1 . ]" 1
223 1 61 LYS H 1 61 LYS HB3 3.000 . 3.200 3.173 2.881 3.306 0.106 15 0 "[ . 1 . ]" 1
224 1 62 TYR H 1 62 TYR HB3 3.100 . 3.300 3.299 2.970 3.465 0.165 15 0 "[ . 1 . ]" 1
225 1 62 TYR H 1 62 TYR HB2 3.500 . 3.700 2.278 2.100 2.430 . 0 0 "[ . 1 . ]" 1
226 1 62 TYR HA 1 62 TYR HB3 2.800 . 3.000 2.811 2.694 2.940 . 0 0 "[ . 1 . ]" 1
227 1 62 TYR HA 1 62 TYR HB2 3.000 . 3.200 2.896 2.756 2.977 . 0 0 "[ . 1 . ]" 1
228 1 64 SER HA 1 64 SER HG 2.700 . 2.900 2.888 2.139 2.996 0.096 13 0 "[ . 1 . ]" 1
229 1 64 SER HB3 1 64 SER HG 2.400 . 2.600 2.590 2.191 2.765 0.165 1 0 "[ . 1 . ]" 1
230 1 64 SER HB2 1 64 SER HG 2.600 . 2.800 2.258 2.053 2.825 0.025 4 0 "[ . 1 . ]" 1
231 1 64 SER HA 1 64 SER HB3 2.600 . 2.800 2.977 2.890 3.003 0.203 4 0 "[ . 1 . ]" 1
232 1 64 SER HA 1 64 SER HB2 3.000 . 3.200 2.489 2.300 2.745 . 0 0 "[ . 1 . ]" 1
233 1 64 SER H 1 64 SER HB3 2.600 . 2.800 2.605 2.137 3.025 0.225 10 0 "[ . 1 . ]" 1
234 1 64 SER H 1 64 SER HB2 2.800 . 3.000 2.965 2.565 3.207 0.207 7 0 "[ . 1 . ]" 1
235 1 65 THR H 1 65 THR MG 4.100 2.600 4.300 3.629 2.372 3.853 0.228 1 0 "[ . 1 . ]" 1
236 1 65 THR HA 1 65 THR HB 2.800 . 3.000 2.907 2.318 3.028 0.028 16 0 "[ . 1 . ]" 1
237 1 65 THR HA 1 65 THR MG 3.500 . 3.700 2.408 2.010 3.146 . 0 0 "[ . 1 . ]" 1
238 1 69 SER HA 1 69 SER HB3 3.000 . 3.200 2.593 2.312 2.993 . 0 0 "[ . 1 . ]" 1
239 1 69 SER HA 1 69 SER HB2 2.500 . 2.700 2.695 2.598 2.865 0.165 5 0 "[ . 1 . ]" 1
240 1 70 SER H 1 70 SER HB3 2.900 . 3.100 2.920 2.772 3.245 0.145 5 0 "[ . 1 . ]" 1
241 1 70 SER H 1 70 SER HB2 3.500 . 3.700 3.596 3.151 3.865 0.165 9 0 "[ . 1 . ]" 1
242 1 70 SER HA 1 70 SER HB3 2.900 . 3.100 2.819 2.497 3.037 . 0 0 "[ . 1 . ]" 1
243 1 70 SER HA 1 70 SER HB2 2.700 . 2.900 2.392 2.294 2.555 . 0 0 "[ . 1 . ]" 1
244 1 72 GLN H 1 72 GLN HB2 3.200 . 3.400 2.281 1.935 2.748 . 0 0 "[ . 1 . ]" 1
245 1 72 GLN H 1 72 GLN HB3 3.500 . 3.700 3.384 2.849 3.754 0.054 14 0 "[ . 1 . ]" 1
246 1 72 GLN H 1 72 GLN QG 4.600 3.100 4.800 3.152 2.380 3.898 0.720 3 4 "[*-+ . 1 * . ]" 1
247 1 73 ALA H 1 73 ALA MB 3.300 . 3.500 2.249 1.926 2.838 . 0 0 "[ . 1 . ]" 1
248 1 75 ASP H 1 75 ASP HB3 3.500 . 3.700 3.588 2.111 3.842 0.142 10 0 "[ . 1 . ]" 1
249 1 75 ASP H 1 75 ASP HB2 3.000 . 3.200 2.587 1.935 3.200 0.000 10 0 "[ . 1 . ]" 1
250 1 75 ASP HA 1 75 ASP HB3 2.500 . 2.700 2.584 2.420 2.979 0.279 11 0 "[ . 1 . ]" 1
251 1 75 ASP HA 1 75 ASP HB2 2.900 . 3.100 2.947 2.365 3.036 . 0 0 "[ . 1 . ]" 1
252 1 76 GLU H 1 76 GLU QB 3.500 . 3.700 2.950 2.759 3.485 . 0 0 "[ . 1 . ]" 1
253 1 76 GLU H 1 76 GLU HG3 4.000 2.500 4.200 3.947 2.491 4.388 0.188 9 0 "[ . 1 . ]" 1
254 1 76 GLU H 1 76 GLU HG2 4.100 2.600 4.300 3.583 2.586 4.351 0.051 5 0 "[ . 1 . ]" 1
255 1 78 ASN H 1 78 ASN HD22 3.200 . 3.400 3.502 3.421 3.672 0.272 16 0 "[ . 1 . ]" 1
256 1 78 ASN H 1 78 ASN HD21 5.000 3.500 5.200 3.498 3.382 3.832 0.118 2 0 "[ . 1 . ]" 1
257 1 78 ASN H 1 78 ASN HB3 3.500 . 3.700 3.443 2.600 3.656 . 0 0 "[ . 1 . ]" 1
258 1 78 ASN H 1 78 ASN HB2 3.300 . 3.500 3.081 2.704 3.578 0.078 11 0 "[ . 1 . ]" 1
259 1 78 ASN HA 1 78 ASN HB3 2.900 . 3.100 2.382 2.269 2.418 . 0 0 "[ . 1 . ]" 1
260 1 79 TYR H 1 79 TYR HB3 3.700 2.200 3.900 3.581 3.341 3.796 . 0 0 "[ . 1 . ]" 1
261 1 79 TYR H 1 79 TYR HB2 3.900 2.400 4.100 2.383 2.278 2.654 0.122 9 0 "[ . 1 . ]" 1
262 1 80 SER HA 1 80 SER HB3 2.600 . 2.800 2.348 2.226 2.607 . 0 0 "[ . 1 . ]" 1
263 1 80 SER HA 1 80 SER HB2 2.800 . 3.000 2.922 2.827 3.011 0.011 1 0 "[ . 1 . ]" 1
264 1 81 VAL H 1 81 VAL MG1 3.800 2.300 4.000 1.951 1.861 2.163 0.439 4 0 "[ . 1 . ]" 1
265 1 81 VAL H 1 81 VAL MG2 4.600 3.100 4.800 3.837 3.760 3.942 . 0 0 "[ . 1 . ]" 1
266 1 81 VAL HA 1 81 VAL HB 2.700 . 2.900 2.462 2.421 2.515 . 0 0 "[ . 1 . ]" 1
267 1 81 VAL HA 1 81 VAL MG1 3.500 . 3.700 3.183 3.175 3.190 . 0 0 "[ . 1 . ]" 1
268 1 81 VAL HA 1 81 VAL MG2 3.500 . 3.700 2.391 2.311 2.466 . 0 0 "[ . 1 . ]" 1
269 1 84 GLU H 1 84 GLU QG 4.000 2.500 4.200 2.455 1.891 3.550 0.609 14 2 "[ . 1 +- ]" 1
270 1 84 GLU H 1 84 GLU QB 3.400 . 3.600 2.440 2.126 3.004 . 0 0 "[ . 1 . ]" 1
271 1 85 ASN H 1 85 ASN HB3 4.100 2.600 4.300 2.714 2.574 3.053 0.026 14 0 "[ . 1 . ]" 1
272 1 87 GLU H 1 87 GLU QB 4.000 2.500 4.200 2.975 2.629 3.191 . 0 0 "[ . 1 . ]" 1
273 1 87 GLU H 1 87 GLU QG 4.500 3.000 4.700 3.428 2.378 4.223 0.622 7 4 "[ . + 1 *-*. ]" 1
274 1 89 LYS H 1 89 LYS QB 3.600 2.100 3.800 2.843 2.370 3.280 . 0 0 "[ . 1 . ]" 1
275 1 90 GLN H 1 90 GLN QG 3.900 2.400 4.100 3.093 2.465 3.680 . 0 0 "[ . 1 . ]" 1
276 1 91 GLU H 1 91 GLU QG 4.200 2.700 4.400 2.450 2.280 2.768 0.420 4 0 "[ . 1 . ]" 1
277 1 91 GLU HA 1 91 GLU HB3 2.700 . 2.900 2.450 2.407 2.499 . 0 0 "[ . 1 . ]" 1
278 1 91 GLU HA 1 91 GLU HB2 2.900 . 3.100 2.522 2.442 3.030 . 0 0 "[ . 1 . ]" 1
279 1 92 ALA H 1 92 ALA MB 3.500 . 3.700 2.546 2.229 2.637 . 0 0 "[ . 1 . ]" 1
280 1 95 THR HA 1 95 THR HB 2.600 . 2.800 2.301 2.238 2.544 . 0 0 "[ . 1 . ]" 1
281 1 95 THR HA 1 95 THR MG 3.400 . 3.600 2.758 2.068 2.994 . 0 0 "[ . 1 . ]" 1
282 1 96 LEU H 1 96 LEU QB 3.800 2.300 4.000 2.321 2.098 2.741 0.202 7 0 "[ . 1 . ]" 1
283 1 96 LEU H 1 96 LEU HG 4.100 2.600 4.300 4.215 3.900 4.492 0.192 11 0 "[ . 1 . ]" 1
284 1 96 LEU HA 1 96 LEU MD1 3.600 2.100 3.800 1.999 1.840 2.294 0.260 11 0 "[ . 1 . ]" 1
285 1 96 LEU HA 1 96 LEU MD2 4.200 2.700 4.400 3.407 2.004 3.797 0.696 7 1 "[ . + 1 . ]" 1
286 1 97 THR H 1 97 THR HB 2.800 . 3.000 3.097 3.023 3.203 0.203 5 0 "[ . 1 . ]" 1
287 1 100 LYS H 1 100 LYS QB 3.600 2.100 3.800 2.449 2.156 3.260 . 0 0 "[ . 1 . ]" 1
288 1 100 LYS H 1 100 LYS HG3 3.600 2.100 3.800 3.353 2.113 3.862 0.062 14 0 "[ . 1 . ]" 1
289 1 100 LYS H 1 100 LYS HG2 3.600 2.100 3.800 2.476 2.083 3.777 0.017 10 0 "[ . 1 . ]" 1
290 1 100 LYS H 1 100 LYS QD 3.800 2.300 4.000 3.016 2.149 3.648 0.151 9 0 "[ . 1 . ]" 1
291 1 10 ARG QB 1 11 ILE H 4.000 . 4.200 3.031 1.886 3.758 . 0 0 "[ . 1 . ]" 1
292 1 11 ILE HB 1 12 LEU H 4.500 . 4.700 4.424 4.230 4.500 . 0 0 "[ . 1 . ]" 1
293 1 12 LEU H 1 13 THR HB 5.700 3.200 5.900 5.292 4.844 5.560 . 0 0 "[ . 1 . ]" 1
294 1 12 LEU HB2 1 13 THR H 3.600 . 3.800 2.683 2.389 2.913 . 0 0 "[ . 1 . ]" 1
295 1 12 LEU HB3 1 13 THR H 3.800 . 4.000 3.404 2.773 3.979 . 0 0 "[ . 1 . ]" 1
296 1 13 THR HB 1 14 LYS H 4.300 . 4.500 4.091 3.874 4.342 . 0 0 "[ . 1 . ]" 1
297 1 13 THR MG 1 14 LYS H 4.600 2.100 4.800 2.535 2.116 3.191 . 0 0 "[ . 1 . ]" 1
298 1 14 LYS H 1 15 PRO QD 4.800 2.300 5.000 4.415 4.348 4.431 . 0 0 "[ . 1 . ]" 1
299 1 14 LYS HA 1 15 PRO QD 3.000 . 3.200 2.051 1.994 2.176 . 0 0 "[ . 1 . ]" 1
300 1 15 PRO QB 1 16 ARG H 4.400 . 4.600 2.901 1.932 3.392 . 0 0 "[ . 1 . ]" 1
301 1 16 ARG QB 1 17 SER H 4.300 . 4.500 2.118 1.913 4.050 . 0 0 "[ . 1 . ]" 1
302 1 16 ARG QG 1 17 SER H 3.800 . 4.000 2.651 1.955 3.587 . 0 0 "[ . 1 . ]" 1
303 1 17 SER HB2 1 18 MET H 3.000 . 3.200 3.218 3.078 3.579 0.379 13 0 "[ . 1 . ]" 1
304 1 17 SER HB3 1 18 MET H 2.700 . 2.900 2.424 2.059 3.015 0.115 13 0 "[ . 1 . ]" 1
305 1 18 MET HB3 1 19 THR H 2.900 . 3.100 3.172 2.344 3.342 0.242 10 0 "[ . 1 . ]" 1
306 1 18 MET HB2 1 19 THR H 3.500 . 3.700 2.103 1.812 3.719 0.019 8 0 "[ . 1 . ]" 1
307 1 18 MET QG 1 19 THR H 5.000 2.500 5.200 3.247 2.478 3.502 0.022 8 0 "[ . 1 . ]" 1
308 1 19 THR HB 1 20 VAL H 4.500 . 4.700 4.388 4.115 4.498 . 0 0 "[ . 1 . ]" 1
309 1 20 VAL HB 1 21 TYR H 3.600 . 3.800 2.394 1.883 3.776 . 0 0 "[ . 1 . ]" 1
310 1 21 TYR HB3 1 22 GLU H 3.200 . 3.400 2.613 2.162 3.461 0.061 7 0 "[ . 1 . ]" 1
311 1 21 TYR HB2 1 22 GLU H 3.500 . 3.700 2.672 2.332 3.722 0.022 4 0 "[ . 1 . ]" 1
312 1 22 GLU QB 1 23 GLY H 4.300 . 4.500 3.608 1.900 4.051 . 0 0 "[ . 1 . ]" 1
313 1 22 GLU HG3 1 23 GLY H 4.800 2.300 5.000 4.044 2.254 5.056 0.056 5 0 "[ . 1 . ]" 1
314 1 22 GLU HG2 1 23 GLY H 4.300 . 4.500 3.854 2.970 4.579 0.079 14 0 "[ . 1 . ]" 1
315 1 25 SER HB3 1 26 ALA H 2.700 . 2.900 2.405 1.921 3.033 0.133 13 0 "[ . 1 . ]" 1
316 1 25 SER HB2 1 26 ALA H 3.200 . 3.400 2.641 1.775 3.561 0.161 8 0 "[ . 1 . ]" 1
317 1 26 ALA MB 1 27 ARG H 3.900 . 4.100 3.368 1.800 3.678 . 0 0 "[ . 1 . ]" 1
318 1 28 PHE QB 1 29 SER H 4.200 . 4.400 3.323 2.535 3.931 . 0 0 "[ . 1 . ]" 1
319 1 29 SER QB 1 30 CYS H 4.300 . 4.500 3.819 3.160 4.013 . 0 0 "[ . 1 . ]" 1
320 1 30 CYS HB3 1 31 ASP H 3.400 . 3.600 3.622 3.041 3.707 0.107 5 0 "[ . 1 . ]" 1
321 1 31 ASP HA 1 32 THR MG 4.500 . 4.700 3.519 3.140 3.749 . 0 0 "[ . 1 . ]" 1
322 1 31 ASP HB3 1 32 THR H 3.800 . 4.000 3.774 2.584 4.008 0.008 12 0 "[ . 1 . ]" 1
323 1 32 THR HB 1 33 ASP H 4.000 . 4.200 3.714 3.216 4.327 0.127 14 0 "[ . 1 . ]" 1
324 1 32 THR MG 1 33 ASP H 4.900 2.400 5.100 3.817 3.676 3.931 . 0 0 "[ . 1 . ]" 1
325 1 33 ASP HB2 1 34 GLY H 3.300 . 3.500 3.092 2.252 3.712 0.212 11 0 "[ . 1 . ]" 1
326 1 33 ASP HB3 1 34 GLY H 3.500 . 3.700 3.790 3.707 3.866 0.166 4 0 "[ . 1 . ]" 1
327 1 36 PRO QB 1 37 VAL H 4.400 . 4.600 3.233 1.914 3.578 . 0 0 "[ . 1 . ]" 1
328 1 38 PRO QB 1 39 THR H 3.800 . 4.000 1.977 1.901 2.194 . 0 0 "[ . 1 . ]" 1
329 1 38 PRO QG 1 39 THR H 4.600 2.100 4.800 3.642 3.542 3.854 . 0 0 "[ . 1 . ]" 1
330 1 39 THR HB 1 40 VAL H 3.100 . 3.300 3.306 2.569 3.464 0.164 12 0 "[ . 1 . ]" 1
331 1 39 THR MG 1 40 VAL H 4.200 . 4.400 2.598 2.019 3.706 . 0 0 "[ . 1 . ]" 1
332 1 40 VAL HB 1 41 THR H 4.000 . 4.200 4.163 4.090 4.236 0.036 3 0 "[ . 1 . ]" 1
333 1 40 VAL MG1 1 41 THR H 4.800 2.300 5.000 3.412 3.224 3.715 . 0 0 "[ . 1 . ]" 1
334 1 40 VAL MG2 1 41 THR H 4.100 . 4.300 2.043 1.896 2.277 . 0 0 "[ . 1 . ]" 1
335 1 41 THR MG 1 42 TRP H 4.700 2.200 4.900 3.747 3.543 3.961 . 0 0 "[ . 1 . ]" 1
336 1 42 TRP HB2 1 43 LEU H 4.400 . 4.600 4.245 4.082 4.399 . 0 0 "[ . 1 . ]" 1
337 1 43 LEU QD 1 44 ARG H 5.500 3.000 5.700 3.772 3.585 4.217 . 0 0 "[ . 1 . ]" 1
338 1 45 LYS HB3 1 46 GLY H 4.300 . 4.500 3.975 3.686 4.443 . 0 0 "[ . 1 . ]" 1
339 1 45 LYS HB2 1 46 GLY H 4.600 2.100 4.800 4.217 3.058 4.526 . 0 0 "[ . 1 . ]" 1
340 1 47 GLN H 1 48 VAL MG1 5.500 3.000 5.700 4.356 3.791 4.787 . 0 0 "[ . 1 . ]" 1
341 1 47 GLN H 1 49 LEU MD1 5.500 3.000 5.700 4.222 3.308 4.841 . 0 0 "[ . 1 . ]" 1
342 1 47 GLN QB 1 48 VAL H 4.400 . 4.600 3.583 1.826 3.979 0.074 11 0 "[ . 1 . ]" 1
343 1 47 GLN QG 1 48 VAL H 5.000 2.500 5.200 4.141 2.368 4.494 0.132 3 0 "[ . 1 . ]" 1
344 1 49 LEU QB 1 50 SER H 4.400 . 4.600 2.928 1.743 3.864 0.157 16 0 "[ . 1 . ]" 1
345 1 49 LEU HG 1 50 SER H 5.400 2.900 5.600 5.092 4.332 5.855 0.255 7 0 "[ . 1 . ]" 1
346 1 49 LEU MD1 1 50 SER H 5.800 3.300 6.000 4.029 3.642 4.664 . 0 0 "[ . 1 . ]" 1
347 1 49 LEU MD2 1 50 SER H 6.000 3.500 6.200 4.498 3.336 5.429 0.164 16 0 "[ . 1 . ]" 1
348 1 50 SER QB 1 51 THR H 4.300 . 4.500 3.237 1.945 4.082 . 0 0 "[ . 1 . ]" 1
349 1 51 THR MG 1 52 SER H 5.000 2.500 5.200 4.257 4.076 4.347 . 0 0 "[ . 1 . ]" 1
350 1 54 ARG H 1 55 HIS QB 5.300 2.800 5.500 3.983 3.453 4.545 . 0 0 "[ . 1 . ]" 1
351 1 53 ALA MB 1 54 ARG H 3.900 . 4.100 2.580 1.899 3.519 . 0 0 "[ . 1 . ]" 1
352 1 54 ARG QB 1 55 HIS H 3.800 . 4.000 3.298 2.629 3.787 . 0 0 "[ . 1 . ]" 1
353 1 54 ARG QG 1 55 HIS H 4.800 2.300 5.000 4.249 2.015 4.589 0.285 16 0 "[ . 1 . ]" 1
354 1 55 HIS HB2 1 56 GLN H 3.600 . 3.800 3.671 2.835 3.963 0.163 1 0 "[ . 1 . ]" 1
355 1 55 HIS HB3 1 56 GLN H 3.200 . 3.400 2.752 2.103 3.249 . 0 0 "[ . 1 . ]" 1
356 1 56 GLN QG 1 57 VAL H 4.400 . 4.600 4.141 3.878 4.246 . 0 0 "[ . 1 . ]" 1
357 1 58 THR MG 1 59 THR H 5.000 2.500 5.200 3.851 3.106 4.287 . 0 0 "[ . 1 . ]" 1
358 1 59 THR MG 1 60 THR H 4.600 2.100 4.800 2.556 1.864 3.974 0.236 11 0 "[ . 1 . ]" 1
359 1 61 LYS HB3 1 62 TYR H 2.900 . 3.100 2.453 1.914 3.346 0.246 13 0 "[ . 1 . ]" 1
360 1 61 LYS HB2 1 62 TYR H 2.600 . 2.800 2.609 1.910 2.865 0.065 10 0 "[ . 1 . ]" 1
361 1 63 LYS QB 1 64 SER H 4.300 . 4.500 2.815 1.912 3.421 . 0 0 "[ . 1 . ]" 1
362 1 63 LYS QG 1 64 SER H 5.200 2.700 5.400 4.093 3.709 4.367 . 0 0 "[ . 1 . ]" 1
363 1 64 SER HB2 1 65 THR H 5.000 2.500 5.200 4.011 3.449 4.683 . 0 0 "[ . 1 . ]" 1
364 1 65 THR HB 1 66 PHE H 4.000 . 4.200 4.038 3.089 4.350 0.150 11 0 "[ . 1 . ]" 1
365 1 65 THR MG 1 66 PHE H 4.500 . 4.700 2.903 2.221 4.067 . 0 0 "[ . 1 . ]" 1
366 1 69 SER HB3 1 70 SER H 3.600 . 3.800 3.842 3.664 3.935 0.135 8 0 "[ . 1 . ]" 1
367 1 72 GLN HB2 1 73 ALA H 3.900 . 4.100 3.442 2.515 4.249 0.149 11 0 "[ . 1 . ]" 1
368 1 72 GLN HB3 1 73 ALA H 3.000 . 3.200 2.307 1.907 3.288 0.088 11 0 "[ . 1 . ]" 1
369 1 72 GLN QG 1 73 ALA H 4.900 2.400 5.100 3.287 2.041 4.464 0.359 15 0 "[ . 1 . ]" 1
370 1 75 ASP H 1 76 GLU QG 5.500 3.000 5.700 4.591 3.116 5.211 . 0 0 "[ . 1 . ]" 1
371 1 74 SER QB 1 75 ASP H 4.100 . 4.300 3.685 2.223 4.034 . 0 0 "[ . 1 . ]" 1
372 1 75 ASP H 1 76 GLU HA 5.000 2.500 5.200 4.446 4.066 5.316 0.116 1 0 "[ . 1 . ]" 1
373 1 76 GLU HB3 1 77 GLY H 3.700 . 3.900 3.878 3.443 4.332 0.432 7 0 "[ . 1 . ]" 1
374 1 76 GLU HB2 1 77 GLY H 3.700 . 3.900 3.095 1.853 4.113 0.213 16 0 "[ . 1 . ]" 1
375 1 76 GLU QG 1 77 GLY H 4.800 2.300 5.000 2.614 1.938 4.221 0.362 11 0 "[ . 1 . ]" 1
376 1 78 ASN HB3 1 79 TYR H 4.200 . 4.400 4.152 3.777 4.305 . 0 0 "[ . 1 . ]" 1
377 1 78 ASN HB2 1 79 TYR H 4.200 . 4.400 4.305 3.715 4.440 0.040 3 0 "[ . 1 . ]" 1
378 1 79 TYR QB 1 80 SER H 4.000 . 4.200 3.060 1.874 3.577 . 0 0 "[ . 1 . ]" 1
379 1 80 SER HB3 1 81 VAL H 3.100 . 3.300 2.962 2.129 3.501 0.201 12 0 "[ . 1 . ]" 1
380 1 80 SER HB2 1 81 VAL H 3.300 . 3.500 3.297 2.355 3.621 0.121 5 0 "[ . 1 . ]" 1
381 1 81 VAL HB 1 82 VAL H 4.400 . 4.600 4.497 4.446 4.583 . 0 0 "[ . 1 . ]" 1
382 1 81 VAL MG2 1 82 VAL H 4.000 . 4.200 3.119 2.942 3.370 . 0 0 "[ . 1 . ]" 1
383 1 83 VAL QG 1 84 GLU H 6.500 4.000 6.700 3.003 2.473 3.668 1.527 16 13 "[*- ***** ** ***+]" 1
384 1 84 GLU HA 1 85 ASN HB3 4.300 . 4.500 4.370 4.125 4.566 0.066 14 0 "[ . 1 . ]" 1
385 1 85 ASN HB3 1 86 SER H 4.200 . 4.400 3.933 3.481 4.404 0.004 16 0 "[ . 1 . ]" 1
386 1 86 SER H 1 87 GLU QB 5.800 3.300 6.000 5.006 4.667 5.294 . 0 0 "[ . 1 . ]" 1
387 1 86 SER QB 1 87 GLU H 4.000 . 4.200 3.594 2.958 3.913 . 0 0 "[ . 1 . ]" 1
388 1 87 GLU QB 1 88 GLY H 4.600 2.100 4.800 3.496 2.636 4.090 . 0 0 "[ . 1 . ]" 1
389 1 87 GLU QG 1 88 GLY H 4.500 . 4.700 3.822 3.467 4.325 . 0 0 "[ . 1 . ]" 1
390 1 89 LYS QG 1 90 GLN H 5.900 3.400 6.100 3.523 2.502 4.408 0.898 4 6 "[- +* * 1* * ]" 1
391 1 89 LYS QD 1 90 GLN H 5.000 2.500 5.200 3.886 2.865 4.608 . 0 0 "[ . 1 . ]" 1
392 1 90 GLN QB 1 91 GLU H 4.400 . 4.600 2.297 2.001 3.777 . 0 0 "[ . 1 . ]" 1
393 1 91 GLU HA 1 92 ALA MB 4.800 2.300 5.000 3.657 3.569 3.817 . 0 0 "[ . 1 . ]" 1
394 1 91 GLU QB 1 92 ALA H 4.100 . 4.300 2.426 2.031 3.079 . 0 0 "[ . 1 . ]" 1
395 1 91 GLU QG 1 92 ALA H 5.100 2.600 5.300 3.721 3.388 4.202 . 0 0 "[ . 1 . ]" 1
396 1 92 ALA MB 1 93 GLU H 4.100 . 4.300 2.753 2.277 3.615 . 0 0 "[ . 1 . ]" 1
397 1 94 PHE HB3 1 95 THR H 3.900 . 4.100 3.645 3.509 3.930 . 0 0 "[ . 1 . ]" 1
398 1 94 PHE HB2 1 95 THR H 3.600 . 3.800 2.138 1.914 2.714 . 0 0 "[ . 1 . ]" 1
399 1 95 THR HB 1 96 LEU H 3.700 . 3.900 3.485 2.723 3.958 0.058 1 0 "[ . 1 . ]" 1
400 1 97 THR HB 1 98 ILE H 4.600 2.100 4.800 2.734 2.118 3.479 . 0 0 "[ . 1 . ]" 1
401 1 97 THR MG 1 98 ILE H 5.200 2.700 5.400 2.283 1.937 2.894 0.763 3 7 "[ *+ .**- 1 * *. ]" 1
402 1 98 ILE HB 1 99 GLN H 5.100 2.600 5.300 3.574 2.510 4.556 0.090 9 0 "[ . 1 . ]" 1
403 1 98 ILE QG 1 99 GLN H 5.300 2.800 5.500 4.283 3.941 4.704 . 0 0 "[ . 1 . ]" 1
404 1 98 ILE MD 1 99 GLN H 5.600 3.100 5.800 4.658 3.847 4.920 . 0 0 "[ . 1 . ]" 1
405 1 99 GLN QE 1 100 LYS H 4.300 . 4.500 3.786 3.260 4.103 . 0 0 "[ . 1 . ]" 1
406 1 11 ILE H 1 33 ASP H 3.200 . 3.300 3.345 3.250 3.455 0.155 11 0 "[ . 1 . ]" 1
407 1 12 LEU H 1 13 THR H 2.600 . 2.700 2.637 1.993 2.793 0.093 5 0 "[ . 1 . ]" 1
408 1 13 THR H 1 31 ASP H 3.000 . 3.100 2.774 2.656 2.891 . 0 0 "[ . 1 . ]" 1
409 1 18 MET H 1 95 THR H 3.300 . 3.400 3.491 3.398 3.643 0.243 7 0 "[ . 1 . ]" 1
410 1 20 VAL H 1 97 THR H 3.300 . 3.400 3.590 2.857 3.771 0.371 2 0 "[ . 1 . ]" 1
411 1 22 GLU H 1 24 GLU H 4.400 2.900 4.500 2.966 2.839 3.496 0.061 8 0 "[ . 1 . ]" 1
412 1 23 GLY H 1 24 GLU H 3.000 . 3.100 2.697 2.166 3.199 0.099 7 0 "[ . 1 . ]" 1
413 1 23 GLY H 1 71 VAL H 3.000 . 3.100 3.045 2.455 3.190 0.090 12 0 "[ . 1 . ]" 1
414 1 28 PHE H 1 66 PHE H 3.100 . 3.200 3.220 2.848 3.358 0.158 12 0 "[ . 1 . ]" 1
415 1 30 CYS H 1 64 SER H 3.100 . 3.200 3.297 3.237 3.375 0.175 5 0 "[ . 1 . ]" 1
416 1 34 GLY H 1 37 VAL H 4.200 2.700 4.300 4.255 3.979 4.455 0.155 12 0 "[ . 1 . ]" 1
417 1 39 THR H 1 84 GLU H 3.100 . 3.200 3.193 2.564 3.332 0.132 12 0 "[ . 1 . ]" 1
418 1 41 THR H 1 82 VAL H 3.000 . 3.100 3.210 3.179 3.261 0.161 1 0 "[ . 1 . ]" 1
419 1 43 LEU H 1 80 SER H 3.000 . 3.100 3.113 2.458 3.314 0.214 2 0 "[ . 1 . ]" 1
420 1 44 ARG H 1 47 GLN H 4.000 2.500 4.100 3.725 2.463 4.315 0.215 10 0 "[ . 1 . ]" 1
421 1 45 LYS H 1 46 GLY H 2.800 2.300 2.900 2.575 2.198 2.704 0.102 14 0 "[ . 1 . ]" 1
422 1 47 GLN H 1 48 VAL H 3.700 2.200 3.800 2.771 2.115 4.025 0.225 3 0 "[ . 1 . ]" 1
423 1 49 LEU H 1 50 SER H 4.000 2.500 4.100 3.111 2.489 4.204 0.104 5 0 "[ . 1 . ]" 1
424 1 51 THR H 1 52 SER H 3.100 . 3.200 3.022 1.861 3.417 0.217 15 0 "[ . 1 . ]" 1
425 1 52 SER H 1 55 HIS H 3.300 . 3.400 3.229 2.589 3.610 0.210 15 0 "[ . 1 . ]" 1
426 1 53 ALA H 1 54 ARG H 3.200 . 3.300 2.673 1.926 3.299 . 0 0 "[ . 1 . ]" 1
427 1 54 ARG H 1 55 HIS H 2.800 . 2.900 2.004 1.837 2.385 . 0 0 "[ . 1 . ]" 1
428 1 56 GLN H 1 67 GLU H 3.300 . 3.400 3.455 3.100 3.558 0.158 7 0 "[ . 1 . ]" 1
429 1 58 THR H 1 65 THR H 3.100 . 3.200 3.319 3.203 3.465 0.265 10 0 "[ . 1 . ]" 1
430 1 60 THR H 1 63 LYS H 3.200 . 3.300 3.443 3.368 3.552 0.252 13 0 "[ . 1 . ]" 1
431 1 62 TYR H 1 63 LYS H 2.600 . 2.700 2.494 2.263 2.763 0.063 12 0 "[ . 1 . ]" 1
432 1 70 SER H 1 71 VAL H 3.600 2.100 3.700 2.639 2.053 3.345 0.047 8 0 "[ . 1 . ]" 1
433 1 72 GLN H 1 73 ALA H 4.400 2.900 4.500 4.425 4.150 4.632 0.132 6 0 "[ . 1 . ]" 1
434 1 75 ASP H 1 76 GLU H 3.000 . 3.100 2.391 1.747 3.597 0.497 10 0 "[ . 1 . ]" 1
435 1 77 GLY H 1 96 LEU H 3.900 2.400 4.000 4.223 4.059 4.359 0.359 9 0 "[ . 1 . ]" 1
436 1 77 GLY H 1 78 ASN H 4.500 3.000 4.600 3.262 2.811 4.293 0.189 8 0 "[ . 1 . ]" 1
437 1 79 TYR H 1 94 PHE H 3.100 . 3.200 3.353 3.293 3.470 0.270 7 0 "[ . 1 . ]" 1
438 1 81 VAL H 1 92 ALA H 3.000 . 3.100 2.715 2.447 2.977 . 0 0 "[ . 1 . ]" 1
439 1 83 VAL H 1 90 GLN H 3.200 . 3.300 3.586 3.535 3.720 0.420 2 0 "[ . 1 . ]" 1
440 1 85 ASN H 1 88 GLY H 3.000 . 3.100 2.889 2.603 3.203 0.103 9 0 "[ . 1 . ]" 1
441 1 87 GLU H 1 88 GLY H 2.400 . 2.500 2.229 1.889 2.515 0.015 12 0 "[ . 1 . ]" 1
442 1 99 GLN H 1 100 LYS H 3.700 2.200 3.800 3.670 3.263 4.213 0.413 10 0 "[ . 1 . ]" 1
443 1 12 LEU HA 1 33 ASP H 4.500 3.000 4.600 4.836 4.715 4.942 0.342 4 0 "[ . 1 . ]" 1
444 1 14 LYS HA 1 31 ASP H 4.000 2.500 4.100 4.122 4.048 4.172 0.072 5 0 "[ . 1 . ]" 1
445 1 17 SER HA 1 95 THR H 3.200 . 3.300 2.809 2.078 3.194 . 0 0 "[ . 1 . ]" 1
446 1 19 THR HA 1 97 THR H 3.200 . 3.300 2.192 1.900 2.384 . 0 0 "[ . 1 . ]" 1
447 1 21 TYR HA 1 99 GLN H 3.200 . 3.300 2.256 1.869 3.311 0.011 16 0 "[ . 1 . ]" 1
448 1 27 ARG HA 1 68 ILE H 3.400 . 3.500 3.583 3.320 3.696 0.196 14 0 "[ . 1 . ]" 1
449 1 29 SER HA 1 66 PHE H 3.100 . 3.200 3.301 3.227 3.438 0.238 11 0 "[ . 1 . ]" 1
450 1 31 ASP HA 1 64 SER H 3.100 . 3.200 3.267 3.191 3.312 0.112 6 0 "[ . 1 . ]" 1
451 1 13 THR H 1 32 THR HA 4.300 2.800 4.400 4.242 4.077 4.410 0.010 4 0 "[ . 1 . ]" 1
452 1 35 GLU HA 1 37 VAL H 4.300 2.800 4.400 3.208 2.745 4.420 0.055 3 0 "[ . 1 . ]" 1
453 1 42 TRP HA 1 82 VAL H 3.200 . 3.300 3.336 3.124 3.425 0.125 13 0 "[ . 1 . ]" 1
454 1 43 LEU HA 1 48 VAL H 4.600 3.100 4.700 3.543 3.034 4.524 0.066 9 0 "[ . 1 . ]" 1
455 1 43 LEU HA 1 49 LEU H 4.300 2.800 4.400 2.950 2.587 3.349 0.213 11 0 "[ . 1 . ]" 1
456 1 44 ARG HA 1 80 SER H 3.500 . 3.600 3.624 2.668 3.882 0.282 13 0 "[ . 1 . ]" 1
457 1 46 GLY HA3 1 48 VAL H 5.000 3.500 5.100 4.586 4.048 4.974 . 0 0 "[ . 1 . ]" 1
458 1 51 THR HA 1 55 HIS H 4.700 3.200 4.800 3.672 3.086 4.692 0.114 15 0 "[ . 1 . ]" 1
459 1 51 THR HA 1 57 VAL H 4.500 3.000 4.600 3.147 2.862 4.094 0.138 13 0 "[ . 1 . ]" 1
460 1 57 VAL HA 1 67 GLU H 3.200 . 3.300 2.683 2.193 3.365 0.065 2 0 "[ . 1 . ]" 1
461 1 59 THR HA 1 65 THR H 3.000 . 3.100 2.657 1.871 3.172 0.072 7 0 "[ . 1 . ]" 1
462 1 32 THR H 1 63 LYS HA 3.100 . 3.200 3.060 2.625 3.264 0.064 5 0 "[ . 1 . ]" 1
463 1 60 THR H 1 64 SER HA 3.000 . 3.100 2.559 1.949 3.021 . 0 0 "[ . 1 . ]" 1
464 1 30 CYS H 1 65 THR HA 3.000 . 3.100 3.149 2.997 3.335 0.235 11 0 "[ . 1 . ]" 1
465 1 58 THR H 1 66 PHE HA 3.100 . 3.200 3.045 2.367 3.253 0.053 2 0 "[ . 1 . ]" 1
466 1 28 PHE H 1 67 GLU HA 3.300 . 3.400 3.180 2.711 3.441 0.041 8 0 "[ . 1 . ]" 1
467 1 56 GLN H 1 68 ILE HA 3.400 . 3.500 3.022 2.417 3.551 0.051 6 0 "[ . 1 . ]" 1
468 1 25 SER H 1 69 SER HA 5.300 3.800 5.600 5.288 4.594 5.680 0.080 15 0 "[ . 1 . ]" 1
469 1 78 ASN HA 1 96 LEU H 3.400 . 3.500 3.525 1.896 3.813 0.313 12 0 "[ . 1 . ]" 1
470 1 80 SER HA 1 94 PHE H 2.900 . 3.000 2.972 2.682 3.100 0.100 14 0 "[ . 1 . ]" 1
471 1 43 LEU H 1 81 VAL HA 3.000 . 3.100 3.191 3.122 3.293 0.193 12 0 "[ . 1 . ]" 1
472 1 82 VAL HA 1 92 ALA H 3.100 . 3.200 3.405 3.319 3.478 0.278 5 0 "[ . 1 . ]" 1
473 1 41 THR H 1 83 VAL HA 3.000 . 3.100 3.183 3.128 3.239 0.139 15 0 "[ . 1 . ]" 1
474 1 84 GLU HA 1 90 GLN H 3.000 . 3.100 2.650 2.337 3.153 0.053 14 0 "[ . 1 . ]" 1
475 1 39 THR H 1 85 ASN HA 3.300 . 3.400 3.260 2.990 3.448 0.048 9 0 "[ . 1 . ]" 1
476 1 83 VAL H 1 91 GLU HA 3.000 . 3.100 2.224 2.056 2.440 . 0 0 "[ . 1 . ]" 1
477 1 81 VAL H 1 93 GLU HA 3.100 . 3.200 3.324 3.213 3.421 0.221 14 0 "[ . 1 . ]" 1
478 1 79 TYR H 1 95 THR HA 2.900 . 3.000 2.170 1.878 2.965 . 0 0 "[ . 1 . ]" 1
479 1 18 MET H 1 96 LEU HA 3.200 . 3.300 2.995 2.808 3.383 0.083 13 0 "[ . 1 . ]" 1
480 1 20 VAL H 1 98 ILE HA 3.200 . 3.300 3.414 3.317 3.505 0.205 15 0 "[ . 1 . ]" 1
481 1 27 ARG HA 1 67 GLU HA 2.900 . 3.000 2.247 1.876 2.646 . 0 0 "[ . 1 . ]" 1
482 1 29 SER HA 1 65 THR HA 2.700 . 2.800 1.837 1.706 1.917 . 0 0 "[ . 1 . ]" 1
483 1 31 ASP HA 1 63 LYS HA 2.700 . 2.800 2.063 1.933 2.364 . 0 0 "[ . 1 . ]" 1
484 1 40 VAL HA 1 83 VAL HA 2.600 . 2.700 1.878 1.819 2.014 . 0 0 "[ . 1 . ]" 1
485 1 42 TRP HA 1 81 VAL HA 2.800 . 2.900 2.005 1.842 2.138 . 0 0 "[ . 1 . ]" 1
486 1 55 HIS HA 1 68 ILE HA 3.000 . 3.100 2.596 1.867 3.071 . 0 0 "[ . 1 . ]" 1
487 1 57 VAL HA 1 66 PHE HA 3.000 . 3.100 1.824 1.658 2.182 . 0 0 "[ . 1 . ]" 1
488 1 59 THR HA 1 64 SER HA 2.400 . 2.500 1.794 1.551 1.926 . 0 0 "[ . 1 . ]" 1
489 1 78 ASN HA 1 95 THR HA 2.400 . 2.500 1.859 1.402 1.940 . 0 0 "[ . 1 . ]" 1
490 1 80 SER HA 1 93 GLU HA 2.300 . 2.400 1.896 1.803 2.163 . 0 0 "[ . 1 . ]" 1
491 1 82 VAL HA 1 91 GLU HA 2.600 . 2.700 2.144 1.927 2.724 0.024 2 0 "[ . 1 . ]" 1
492 1 21 TYR QD 1 22 GLU H 4.600 . 4.800 4.266 4.070 4.454 . 0 0 "[ . 1 . ]" 1
493 1 21 TYR H 1 21 TYR QD 4.100 . 4.300 3.005 1.973 4.165 . 0 0 "[ . 1 . ]" 1
494 1 21 TYR QD 1 99 GLN QG 4.400 . 4.600 3.413 2.325 3.927 . 0 0 "[ . 1 . ]" 1
495 1 21 TYR QD 1 24 GLU QG 5.000 . 5.200 4.082 3.610 4.357 . 0 0 "[ . 1 . ]" 1
496 1 21 TYR QE 1 99 GLN QB 4.800 . 5.000 3.248 2.738 4.324 . 0 0 "[ . 1 . ]" 1
497 1 21 TYR QE 1 99 GLN H 5.500 . 5.700 5.282 4.679 5.480 . 0 0 "[ . 1 . ]" 1
498 1 21 TYR QE 1 99 GLN QG 4.600 . 4.800 2.810 2.180 3.519 . 0 0 "[ . 1 . ]" 1
499 1 28 PHE H 1 28 PHE QD 4.000 . 4.200 3.415 2.473 4.024 . 0 0 "[ . 1 . ]" 1
500 1 28 PHE QD 1 66 PHE H 5.400 . 5.600 4.705 3.752 5.145 . 0 0 "[ . 1 . ]" 1
501 1 28 PHE QD 1 68 ILE MD 6.000 . 6.200 3.410 2.095 4.493 . 0 0 "[ . 1 . ]" 1
502 1 26 ALA MB 1 28 PHE QD 6.000 . 6.200 3.973 3.519 4.674 . 0 0 "[ . 1 . ]" 1
503 1 15 PRO QB 1 28 PHE QD 6.000 . 6.200 2.131 1.797 2.660 . 0 0 "[ . 1 . ]" 1
504 1 15 PRO QG 1 28 PHE QD 5.000 . 5.200 3.667 2.837 4.295 . 0 0 "[ . 1 . ]" 1
505 1 15 PRO HA 1 28 PHE QD 5.500 . 5.700 4.002 3.306 4.701 . 0 0 "[ . 1 . ]" 1
506 1 17 SER HA 1 28 PHE QE 6.000 . 6.200 2.672 1.930 3.796 . 0 0 "[ . 1 . ]" 1
507 1 40 VAL MG2 1 42 TRP HD1 4.400 . 4.600 2.870 2.392 3.220 . 0 0 "[ . 1 . ]" 1
508 1 42 TRP HD1 1 81 VAL MG2 5.200 . 5.400 3.716 3.479 3.990 . 0 0 "[ . 1 . ]" 1
509 1 42 TRP HD1 1 57 VAL QG 6.500 . 6.700 3.233 2.045 4.827 . 0 0 "[ . 1 . ]" 1
510 1 42 TRP HB3 1 42 TRP HD1 3.400 . 3.600 3.753 3.728 3.778 0.178 15 0 "[ . 1 . ]" 1
511 1 42 TRP HB2 1 42 TRP HD1 3.900 . 4.100 2.606 2.571 2.643 . 0 0 "[ . 1 . ]" 1
512 1 42 TRP HE1 1 64 SER HG 4.300 . 4.500 2.293 1.879 2.928 . 0 0 "[ . 1 . ]" 1
513 1 42 TRP HE1 1 64 SER HB2 3.900 . 4.100 3.498 2.727 4.142 0.042 9 0 "[ . 1 . ]" 1
514 1 42 TRP HE1 1 64 SER HB3 4.300 . 4.500 2.892 2.055 3.799 . 0 0 "[ . 1 . ]" 1
515 1 42 TRP HE1 1 81 VAL MG2 5.500 . 5.700 3.125 3.021 3.367 . 0 0 "[ . 1 . ]" 1
516 1 40 VAL HB 1 42 TRP HE1 5.600 . 5.800 4.251 3.879 4.460 . 0 0 "[ . 1 . ]" 1
517 1 40 VAL MG1 1 42 TRP HE1 5.500 . 5.700 2.605 2.089 3.129 . 0 0 "[ . 1 . ]" 1
518 1 40 VAL MG2 1 42 TRP HE1 4.900 . 5.100 2.090 1.926 2.280 . 0 0 "[ . 1 . ]" 1
519 1 42 TRP HE1 1 59 THR MG 6.500 . 6.700 4.061 3.535 5.603 . 0 0 "[ . 1 . ]" 1
520 1 40 VAL MG2 1 42 TRP HE3 6.000 . 6.200 5.125 4.933 5.207 . 0 0 "[ . 1 . ]" 1
521 1 42 TRP HE3 1 81 VAL MG2 5.300 . 5.500 3.792 3.427 3.964 . 0 0 "[ . 1 . ]" 1
522 1 42 TRP HE3 1 79 TYR QD 5.800 . 6.000 5.158 4.284 5.632 . 0 0 "[ . 1 . ]" 1
523 1 42 TRP HH2 1 81 VAL MG2 6.000 . 6.200 3.722 3.347 3.921 . 0 0 "[ . 1 . ]" 1
524 1 42 TRP HH2 1 81 VAL MG1 5.300 . 5.500 3.473 3.368 3.582 . 0 0 "[ . 1 . ]" 1
525 1 30 CYS HB2 1 42 TRP HH2 4.200 . 4.400 3.694 1.907 4.511 0.111 7 0 "[ . 1 . ]" 1
526 1 42 TRP HH2 1 65 THR HA 5.400 . 5.600 4.533 3.546 5.393 . 0 0 "[ . 1 . ]" 1
527 1 15 PRO HG3 1 42 TRP HH2 4.000 . 4.200 2.169 1.934 2.330 . 0 0 "[ . 1 . ]" 1
528 1 15 PRO HG2 1 42 TRP HH2 3.700 . 3.900 3.842 3.613 3.962 0.062 7 0 "[ . 1 . ]" 1
529 1 42 TRP HH2 1 49 LEU MD2 6.800 2.300 7.000 5.849 5.784 5.950 . 0 0 "[ . 1 . ]" 1
530 1 42 TRP HH2 1 94 PHE QE 7.000 2.500 7.200 4.107 3.450 4.465 . 0 0 "[ . 1 . ]" 1
531 1 42 TRP HZ2 1 66 PHE QD 7.000 2.500 7.200 5.699 4.927 6.198 . 0 0 "[ . 1 . ]" 1
532 1 42 TRP HZ2 1 81 VAL MG2 4.500 . 4.700 3.019 2.700 3.238 . 0 0 "[ . 1 . ]" 1
533 1 42 TRP HZ2 1 81 VAL MG1 5.000 . 5.200 4.236 4.069 4.329 . 0 0 "[ . 1 . ]" 1
534 1 42 TRP HZ2 1 81 VAL HB 4.600 . 4.800 4.135 3.864 4.357 . 0 0 "[ . 1 . ]" 1
535 1 30 CYS H 1 42 TRP HZ2 5.300 . 5.500 3.105 2.636 3.687 . 0 0 "[ . 1 . ]" 1
536 1 30 CYS HG 1 42 TRP HZ2 4.000 . 4.200 2.897 1.865 4.256 0.056 15 0 "[ . 1 . ]" 1
537 1 42 TRP HZ2 1 65 THR HA 5.000 . 5.200 3.752 2.978 4.453 . 0 0 "[ . 1 . ]" 1
538 1 42 TRP HZ2 1 64 SER HB3 4.400 . 4.600 2.605 2.373 3.122 . 0 0 "[ . 1 . ]" 1
539 1 42 TRP HZ2 1 64 SER HB2 4.000 . 4.200 4.165 3.747 4.250 0.050 16 0 "[ . 1 . ]" 1
540 1 42 TRP HZ3 1 81 VAL HA 5.200 . 5.400 4.916 4.686 5.127 . 0 0 "[ . 1 . ]" 1
541 1 42 TRP HZ3 1 81 VAL MG2 4.900 . 5.100 4.129 3.791 4.255 . 0 0 "[ . 1 . ]" 1
542 1 42 TRP HZ3 1 81 VAL MG1 6.500 . 6.700 3.528 3.310 3.741 . 0 0 "[ . 1 . ]" 1
543 1 15 PRO HG3 1 42 TRP HZ3 4.500 . 4.700 2.663 2.147 3.613 . 0 0 "[ . 1 . ]" 1
544 1 15 PRO HG2 1 42 TRP HZ3 4.100 . 4.300 3.472 2.965 4.310 0.010 16 0 "[ . 1 . ]" 1
545 1 49 LEU HA 1 55 HIS HD1 5.500 . 5.700 2.628 1.921 4.534 . 0 0 "[ . 1 . ]" 1
546 1 49 LEU MD1 1 55 HIS HD1 5.500 . 5.700 3.830 2.902 4.428 . 0 0 "[ . 1 . ]" 1
547 1 49 LEU QB 1 55 HIS HD1 5.000 . 5.200 2.861 1.901 4.301 . 0 0 "[ . 1 . ]" 1
548 1 52 SER H 1 55 HIS HD1 5.600 . 5.800 4.886 3.118 5.875 0.075 1 0 "[ . 1 . ]" 1
549 1 55 HIS HD1 1 66 PHE QE 6.000 . 6.200 3.001 1.967 4.101 . 0 0 "[ . 1 . ]" 1
550 1 55 HIS HD1 1 66 PHE QD 6.000 . 6.200 4.835 4.042 5.800 . 0 0 "[ . 1 . ]" 1
551 1 55 HIS HD1 1 66 PHE HZ 4.800 . 5.000 2.674 2.033 4.042 . 0 0 "[ . 1 . ]" 1
552 1 55 HIS HD1 1 68 ILE QG 5.000 . 5.200 4.054 2.282 4.698 . 0 0 "[ . 1 . ]" 1
553 1 33 ASP HA 1 62 TYR QE 6.000 . 6.200 2.381 1.930 3.345 . 0 0 "[ . 1 . ]" 1
554 1 37 VAL HA 1 62 TYR QE 5.400 . 5.600 3.095 2.377 4.241 . 0 0 "[ . 1 . ]" 1
555 1 37 VAL MG2 1 62 TYR QE 5.600 . 5.800 2.646 2.032 3.884 . 0 0 "[ . 1 . ]" 1
556 1 37 VAL MG1 1 62 TYR QE 6.400 . 6.600 4.053 3.541 4.647 . 0 0 "[ . 1 . ]" 1
557 1 34 GLY H 1 62 TYR QE 4.800 . 5.000 2.486 1.939 3.369 . 0 0 "[ . 1 . ]" 1
558 1 38 PRO QD 1 62 TYR QE 5.500 . 5.700 3.187 2.233 4.473 . 0 0 "[ . 1 . ]" 1
559 1 34 GLY H 1 62 TYR QD 5.300 . 5.500 4.337 3.554 5.024 . 0 0 "[ . 1 . ]" 1
560 1 37 VAL HA 1 62 TYR QD 6.000 . 6.200 3.919 3.322 4.667 . 0 0 "[ . 1 . ]" 1
561 1 37 VAL MG2 1 62 TYR QD 6.100 . 6.300 3.182 2.022 3.944 . 0 0 "[ . 1 . ]" 1
562 1 37 VAL MG1 1 62 TYR QD 6.400 . 6.600 3.754 3.047 4.455 . 0 0 "[ . 1 . ]" 1
563 1 38 PRO QD 1 62 TYR QD 6.500 . 6.700 3.570 2.629 4.606 . 0 0 "[ . 1 . ]" 1
564 1 33 ASP HA 1 62 TYR QD 5.300 . 5.500 2.873 1.946 3.623 . 0 0 "[ . 1 . ]" 1
565 1 62 TYR QD 1 63 LYS QG 5.200 . 5.400 4.399 4.213 4.571 . 0 0 "[ . 1 . ]" 1
566 1 55 HIS HA 1 66 PHE QD 6.000 . 6.200 5.055 4.513 5.732 . 0 0 "[ . 1 . ]" 1
567 1 55 HIS HB2 1 66 PHE QD 5.300 . 5.500 4.528 4.000 4.870 . 0 0 "[ . 1 . ]" 1
568 1 55 HIS HB3 1 66 PHE QD 5.300 . 5.500 3.405 2.841 4.041 . 0 0 "[ . 1 . ]" 1
569 1 66 PHE QD 1 67 GLU H 4.900 . 5.100 2.453 1.926 4.122 . 0 0 "[ . 1 . ]" 1
570 1 28 PHE H 1 66 PHE QD 5.500 . 5.700 4.894 3.788 5.243 . 0 0 "[ . 1 . ]" 1
571 1 49 LEU MD1 1 66 PHE QD 6.000 . 6.200 4.788 4.509 5.061 . 0 0 "[ . 1 . ]" 1
572 1 66 PHE QD 1 79 TYR QD 8.000 3.500 8.200 4.148 3.309 4.879 0.191 10 0 "[ . 1 . ]" 1
573 1 28 PHE QB 1 66 PHE QD 4.200 . 4.400 3.244 2.046 3.775 . 0 0 "[ . 1 . ]" 1
574 1 66 PHE QD 1 94 PHE QE 6.700 2.200 6.900 3.624 2.416 4.756 . 0 0 "[ . 1 . ]" 1
575 1 49 LEU MD2 1 66 PHE QE 5.700 . 5.900 2.575 1.795 3.586 . 0 0 "[ . 1 . ]" 1
576 1 57 VAL HA 1 66 PHE QE 5.000 . 5.200 4.471 4.038 4.758 . 0 0 "[ . 1 . ]" 1
577 1 66 PHE HZ 1 94 PHE QE 7.500 3.000 7.700 5.764 4.340 6.617 . 0 0 "[ . 1 . ]" 1
578 1 66 PHE HZ 1 96 LEU HG 6.000 . 6.200 6.189 5.705 6.324 0.124 9 0 "[ . 1 . ]" 1
579 1 49 LEU MD2 1 66 PHE HZ 5.800 . 6.000 3.842 2.587 4.621 . 0 0 "[ . 1 . ]" 1
580 1 75 ASP H 1 79 TYR HH 4.300 . 4.500 4.368 2.432 4.716 0.216 9 0 "[ . 1 . ]" 1
581 1 75 ASP HA 1 79 TYR HH 4.000 . 4.200 3.219 1.892 4.244 0.044 7 0 "[ . 1 . ]" 1
582 1 75 ASP HB3 1 79 TYR HH 3.400 . 3.600 2.305 1.845 3.765 0.165 10 0 "[ . 1 . ]" 1
583 1 75 ASP HB2 1 79 TYR HH 3.100 . 3.300 2.776 1.948 3.385 0.085 5 0 "[ . 1 . ]" 1
584 1 79 TYR HH 1 98 ILE MD 6.500 . 6.700 4.240 3.477 5.771 . 0 0 "[ . 1 . ]" 1
585 1 79 TYR HH 1 98 ILE QG 6.500 . 6.700 5.499 4.565 6.026 . 0 0 "[ . 1 . ]" 1
586 1 44 ARG HA 1 79 TYR QD 6.000 . 6.200 4.260 3.177 5.318 . 0 0 "[ . 1 . ]" 1
587 1 44 ARG HB3 1 79 TYR QD 4.800 . 5.000 2.271 1.829 2.748 . 0 0 "[ . 1 . ]" 1
588 1 49 LEU MD1 1 79 TYR QD 5.200 . 5.400 2.473 1.898 3.413 . 0 0 "[ . 1 . ]" 1
589 1 49 LEU MD2 1 79 TYR QD 4.400 . 4.600 2.870 2.193 3.613 . 0 0 "[ . 1 . ]" 1
590 1 49 LEU QB 1 79 TYR QD 5.500 . 5.700 4.532 3.666 4.902 . 0 0 "[ . 1 . ]" 1
591 1 68 ILE MD 1 79 TYR QD 6.000 . 6.200 2.815 2.234 3.590 . 0 0 "[ . 1 . ]" 1
592 1 78 ASN HA 1 79 TYR QD 5.500 . 5.700 4.901 4.428 5.241 . 0 0 "[ . 1 . ]" 1
593 1 76 GLU QG 1 79 TYR QD 5.400 . 5.600 4.370 3.511 4.746 . 0 0 "[ . 1 . ]" 1
594 1 79 TYR QD 1 95 THR HA 5.400 . 5.600 4.570 4.028 5.545 . 0 0 "[ . 1 . ]" 1
595 1 79 TYR QD 1 96 LEU QB 5.500 . 5.700 2.890 1.977 4.006 . 0 0 "[ . 1 . ]" 1
596 1 44 ARG HB3 1 79 TYR QE 4.600 . 4.800 3.325 2.680 3.688 . 0 0 "[ . 1 . ]" 1
597 1 44 ARG HB2 1 79 TYR QE 5.200 . 5.400 3.903 3.245 4.456 . 0 0 "[ . 1 . ]" 1
598 1 49 LEU MD1 1 79 TYR QE 5.600 . 5.800 2.692 2.037 3.200 . 0 0 "[ . 1 . ]" 1
599 1 49 LEU MD2 1 79 TYR QE 5.800 . 6.000 3.923 3.260 4.762 . 0 0 "[ . 1 . ]" 1
600 1 49 LEU QB 1 79 TYR QE 5.500 . 5.700 4.555 3.546 5.002 . 0 0 "[ . 1 . ]" 1
601 1 68 ILE MD 1 79 TYR QE 5.300 . 5.500 2.393 1.823 3.359 . 0 0 "[ . 1 . ]" 1
602 1 75 ASP HA 1 79 TYR QE 5.300 . 5.500 4.488 2.771 5.418 . 0 0 "[ . 1 . ]" 1
603 1 75 ASP HB3 1 79 TYR QE 4.700 . 4.900 3.890 3.127 4.891 . 0 0 "[ . 1 . ]" 1
604 1 75 ASP HB2 1 79 TYR QE 4.800 . 5.000 4.249 3.538 4.812 . 0 0 "[ . 1 . ]" 1
605 1 76 GLU HA 1 79 TYR QE 6.500 . 6.700 5.853 5.424 6.289 . 0 0 "[ . 1 . ]" 1
606 1 77 GLY H 1 79 TYR QE 5.900 . 6.100 4.500 3.352 5.382 . 0 0 "[ . 1 . ]" 1
607 1 79 TYR QE 1 96 LEU QB 5.400 . 5.600 3.590 2.774 4.547 . 0 0 "[ . 1 . ]" 1
608 1 15 PRO QB 1 94 PHE QE 6.000 . 6.200 4.131 3.676 4.586 . 0 0 "[ . 1 . ]" 1
609 1 13 THR H 1 31 ASP HB2 4.300 . 4.500 3.929 1.960 4.414 . 0 0 "[ . 1 . ]" 1
610 1 13 THR H 1 31 ASP HB3 3.600 . 3.800 2.581 2.333 3.527 . 0 0 "[ . 1 . ]" 1
611 1 11 ILE MG 1 14 LYS H 5.000 . 5.200 3.750 3.276 4.024 . 0 0 "[ . 1 . ]" 1
612 1 17 SER HA 1 94 PHE HB3 5.200 . 5.400 4.171 3.838 4.436 . 0 0 "[ . 1 . ]" 1
613 1 17 SER HA 1 94 PHE HB2 5.600 2.100 5.800 2.648 2.210 2.992 . 0 0 "[ . 1 . ]" 1
614 1 18 MET HA 1 96 LEU MD1 5.500 . 5.700 4.510 3.919 4.734 . 0 0 "[ . 1 . ]" 1
615 1 19 THR HA 1 97 THR HB 3.400 . 3.600 3.420 3.225 3.710 0.110 11 0 "[ . 1 . ]" 1
616 1 20 VAL H 1 97 THR HB 5.500 . 5.700 4.370 3.847 4.844 . 0 0 "[ . 1 . ]" 1
617 1 18 MET QG 1 20 VAL HA 6.000 2.500 6.200 5.336 5.157 5.559 . 0 0 "[ . 1 . ]" 1
618 1 22 GLU H 1 98 ILE MG 6.500 3.000 6.700 4.152 3.501 4.590 . 0 0 "[ . 1 . ]" 1
619 1 22 GLU HA 1 71 VAL MG1 4.500 . 4.700 2.396 1.851 3.960 . 0 0 "[ . 1 . ]" 1
620 1 22 GLU HA 1 71 VAL MG2 5.500 . 5.700 3.832 2.026 4.812 . 0 0 "[ . 1 . ]" 1
621 1 20 VAL MG2 1 22 GLU HA 4.800 . 5.000 3.891 3.482 4.098 . 0 0 "[ . 1 . ]" 1
622 1 23 GLY H 1 71 VAL MG2 5.000 . 5.200 4.135 2.866 4.437 . 0 0 "[ . 1 . ]" 1
623 1 23 GLY H 1 71 VAL HB 4.500 . 4.700 4.015 3.040 4.733 0.033 10 0 "[ . 1 . ]" 1
624 1 20 VAL MG2 1 23 GLY H 6.000 2.500 6.200 3.975 3.060 4.969 . 0 0 "[ . 1 . ]" 1
625 1 20 VAL MG1 1 24 GLU H 5.000 . 5.200 4.167 3.652 4.376 . 0 0 "[ . 1 . ]" 1
626 1 20 VAL MG2 1 24 GLU H 6.000 2.500 6.200 3.745 3.223 4.437 . 0 0 "[ . 1 . ]" 1
627 1 20 VAL MG1 1 25 SER H 5.300 . 5.500 3.067 2.240 3.637 . 0 0 "[ . 1 . ]" 1
628 1 20 VAL MG2 1 25 SER H 6.000 2.500 6.200 4.002 2.990 4.979 . 0 0 "[ . 1 . ]" 1
629 1 20 VAL MG1 1 25 SER HA 5.400 . 5.600 4.230 2.867 4.623 . 0 0 "[ . 1 . ]" 1
630 1 20 VAL MG1 1 26 ALA H 4.900 . 5.100 2.367 1.935 3.716 . 0 0 "[ . 1 . ]" 1
631 1 20 VAL MG2 1 26 ALA H 5.600 2.100 5.800 3.979 2.385 4.808 . 0 0 "[ . 1 . ]" 1
632 1 18 MET ME 1 27 ARG H 5.100 . 5.300 3.336 1.921 4.301 . 0 0 "[ . 1 . ]" 1
633 1 20 VAL MG1 1 27 ARG H 6.300 2.800 6.500 4.698 4.200 5.479 . 0 0 "[ . 1 . ]" 1
634 1 29 SER HA 1 65 THR HB 4.700 . 4.900 4.031 1.923 4.613 . 0 0 "[ . 1 . ]" 1
635 1 29 SER HA 1 65 THR MG 3.900 . 4.100 2.762 1.890 3.521 . 0 0 "[ . 1 . ]" 1
636 1 15 PRO QB 1 29 SER H 5.500 . 5.700 3.073 1.908 4.535 0.092 7 0 "[ . 1 . ]" 1
637 1 13 THR HB 1 31 ASP H 3.900 . 4.100 3.148 2.707 3.376 . 0 0 "[ . 1 . ]" 1
638 1 13 THR MG 1 31 ASP H 5.300 . 5.500 4.290 3.895 4.582 . 0 0 "[ . 1 . ]" 1
639 1 11 ILE MG 1 31 ASP H 5.500 . 5.700 4.246 3.566 4.656 . 0 0 "[ . 1 . ]" 1
640 1 12 LEU HG 1 32 THR H 5.000 . 5.200 4.966 2.753 5.347 0.147 16 0 "[ . 1 . ]" 1
641 1 12 LEU MD2 1 32 THR HA 5.000 . 5.200 2.943 2.182 3.872 . 0 0 "[ . 1 . ]" 1
642 1 10 ARG QG 1 33 ASP H 5.300 . 5.500 4.514 3.675 4.925 . 0 0 "[ . 1 . ]" 1
643 1 12 LEU HG 1 33 ASP H 4.300 . 4.500 4.171 2.699 4.590 0.090 5 0 "[ . 1 . ]" 1
644 1 39 THR H 1 83 VAL MG1 6.200 2.700 6.400 3.768 2.714 5.420 . 0 0 "[ . 1 . ]" 1
645 1 39 THR H 1 85 ASN HB2 5.500 . 5.700 4.833 4.290 5.168 . 0 0 "[ . 1 . ]" 1
646 1 40 VAL HA 1 81 VAL MG2 5.600 2.100 5.800 3.510 3.293 3.735 . 0 0 "[ . 1 . ]" 1
647 1 41 THR H 1 81 VAL MG1 6.000 2.500 6.200 4.967 4.737 5.127 . 0 0 "[ . 1 . ]" 1
648 1 41 THR H 1 81 VAL MG2 5.400 . 5.600 2.705 2.432 2.972 . 0 0 "[ . 1 . ]" 1
649 1 40 VAL MG2 1 42 TRP H 5.000 . 5.200 3.246 2.891 3.546 . 0 0 "[ . 1 . ]" 1
650 1 42 TRP HA 1 81 VAL MG2 4.700 . 4.900 3.080 2.793 3.302 . 0 0 "[ . 1 . ]" 1
651 1 42 TRP HA 1 81 VAL HB 3.800 . 4.000 3.476 3.296 3.638 . 0 0 "[ . 1 . ]" 1
652 1 42 TRP HA 1 49 LEU MD2 4.500 . 4.700 3.044 2.766 3.440 . 0 0 "[ . 1 . ]" 1
653 1 43 LEU H 1 49 LEU MD2 4.600 . 4.800 2.416 2.127 3.236 . 0 0 "[ . 1 . ]" 1
654 1 43 LEU H 1 49 LEU HG 4.800 . 5.000 5.120 5.041 5.192 0.192 11 0 "[ . 1 . ]" 1
655 1 43 LEU HA 1 49 LEU HG 4.200 . 4.400 4.512 4.133 4.639 0.239 1 0 "[ . 1 . ]" 1
656 1 43 LEU HA 1 49 LEU MD1 4.600 . 4.800 1.890 1.684 2.457 . 0 0 "[ . 1 . ]" 1
657 1 43 LEU H 1 81 VAL MG2 6.400 2.900 6.600 4.820 4.677 4.942 . 0 0 "[ . 1 . ]" 1
658 1 43 LEU HA 1 49 LEU MD2 4.600 . 4.800 2.912 2.185 3.862 . 0 0 "[ . 1 . ]" 1
659 1 44 ARG H 1 49 LEU MD2 5.400 . 5.600 4.100 3.575 4.612 . 0 0 "[ . 1 . ]" 1
660 1 43 LEU QD 1 45 LYS H 5.500 . 5.700 4.175 3.873 4.527 . 0 0 "[ . 1 . ]" 1
661 1 43 LEU QB 1 46 GLY H 5.500 . 5.700 3.857 2.495 4.712 . 0 0 "[ . 1 . ]" 1
662 1 43 LEU HG 1 46 GLY H 5.500 . 5.700 5.261 4.868 5.753 0.053 8 0 "[ . 1 . ]" 1
663 1 46 GLY HA2 1 49 LEU MD1 5.000 . 5.200 4.501 4.271 4.791 . 0 0 "[ . 1 . ]" 1
664 1 49 LEU HA 1 55 HIS HB3 4.600 . 4.800 4.578 3.768 5.005 0.205 8 0 "[ . 1 . ]" 1
665 1 49 LEU HA 1 55 HIS HB2 4.800 . 5.000 4.201 3.366 4.806 . 0 0 "[ . 1 . ]" 1
666 1 51 THR H 1 57 VAL HB 5.500 . 5.700 3.316 1.926 6.071 0.371 2 0 "[ . 1 . ]" 1
667 1 51 THR H 1 57 VAL QG . 3.000 5.600 2.414 1.802 3.602 1.198 9 11 "[ * - * +*******]" 1
668 1 52 SER H 1 55 HIS QB 5.400 . 5.600 3.028 1.904 4.047 . 0 0 "[ . 1 . ]" 1
669 1 53 ALA H 1 55 HIS QB 6.000 2.500 6.200 4.667 3.560 5.352 . 0 0 "[ . 1 . ]" 1
670 1 52 SER QB 1 54 ARG H 5.000 . 5.200 4.230 3.243 4.707 . 0 0 "[ . 1 . ]" 1
671 1 52 SER QB 1 55 HIS H 5.600 2.100 5.800 4.368 2.894 5.287 . 0 0 "[ . 1 . ]" 1
672 1 51 THR HB 1 55 HIS H 5.500 . 5.700 5.604 5.127 5.983 0.283 6 0 "[ . 1 . ]" 1
673 1 51 THR MG 1 57 VAL H 5.300 . 5.500 2.572 1.890 4.475 . 0 0 "[ . 1 . ]" 1
674 1 59 THR HA 1 64 SER HG 2.850 . 3.050 2.811 2.091 3.081 0.031 12 0 "[ . 1 . ]" 1
675 1 59 THR HA 1 64 SER HB3 3.900 . 4.100 4.071 3.655 4.355 0.255 10 0 "[ . 1 . ]" 1
676 1 59 THR HA 1 64 SER HB2 4.400 . 4.600 3.224 2.455 4.357 . 0 0 "[ . 1 . ]" 1
677 1 60 THR H 1 63 LYS QB 4.800 . 5.000 4.281 2.868 4.514 . 0 0 "[ . 1 . ]" 1
678 1 37 VAL MG2 1 61 LYS HA 5.400 . 5.600 3.991 3.006 4.536 . 0 0 "[ . 1 . ]" 1
679 1 64 SER HG 1 65 THR H 3.950 . 4.150 3.042 2.073 4.090 . 0 0 "[ . 1 . ]" 1
680 1 59 THR MG 1 65 THR H 5.600 2.100 5.800 4.121 3.608 4.725 . 0 0 "[ . 1 . ]" 1
681 1 29 SER QB 1 65 THR HA 5.000 . 5.200 3.405 2.874 3.744 . 0 0 "[ . 1 . ]" 1
682 1 29 SER QB 1 66 PHE H 5.000 . 5.200 4.393 4.161 4.546 . 0 0 "[ . 1 . ]" 1
683 1 28 PHE QB 1 66 PHE H 5.500 . 5.700 2.768 2.011 3.146 . 0 0 "[ . 1 . ]" 1
684 1 57 VAL QG 1 67 GLU H 5.000 . 5.200 3.455 3.051 4.034 . 0 0 "[ . 1 . ]" 1
685 1 68 ILE HA 1 71 VAL MG1 6.500 3.000 6.700 5.100 3.882 5.491 . 0 0 "[ . 1 . ]" 1
686 1 55 HIS QB 1 69 SER H 6.000 2.500 6.200 4.884 4.112 5.482 . 0 0 "[ . 1 . ]" 1
687 1 56 GLN QB 1 69 SER H 5.500 . 5.700 3.207 2.363 4.521 . 0 0 "[ . 1 . ]" 1
688 1 68 ILE MG 1 71 VAL HA 4.400 . 4.600 2.974 1.878 3.706 . 0 0 "[ . 1 . ]" 1
689 1 71 VAL HA 1 75 ASP HB2 4.600 . 4.800 4.522 3.677 4.896 0.096 11 0 "[ . 1 . ]" 1
690 1 72 GLN QB 1 74 SER H 6.000 2.500 6.200 3.215 2.242 4.770 0.258 13 0 "[ . 1 . ]" 1
691 1 54 ARG QD 1 74 SER H 5.500 . 5.700 4.911 3.671 5.212 . 0 0 "[ . 1 . ]" 1
692 1 75 ASP H 1 98 ILE QG 5.500 . 5.700 3.188 1.886 4.673 0.114 11 0 "[ . 1 . ]" 1
693 1 76 GLU H 1 98 ILE QG 4.500 . 4.700 3.421 2.821 4.000 . 0 0 "[ . 1 . ]" 1
694 1 76 GLU H 1 98 ILE MG 5.500 . 5.700 4.547 3.044 4.790 . 0 0 "[ . 1 . ]" 1
695 1 76 GLU H 1 97 THR MG 5.500 . 5.700 4.503 3.287 4.799 . 0 0 "[ . 1 . ]" 1
696 1 76 GLU HA 1 97 THR HB 4.800 . 5.000 5.198 5.098 5.296 0.296 5 0 "[ . 1 . ]" 1
697 1 77 GLY H 1 96 LEU HG 5.500 . 5.700 5.769 4.809 6.208 0.508 6 1 "[ .+ 1 . ]" 1
698 1 77 GLY H 1 98 ILE MD 5.000 . 5.200 3.386 1.946 4.311 . 0 0 "[ . 1 . ]" 1
699 1 77 GLY H 1 98 ILE QG 5.900 2.400 6.100 5.073 3.864 5.635 . 0 0 "[ . 1 . ]" 1
700 1 78 ASN H 1 95 THR MG 5.200 . 5.400 3.922 3.521 4.514 . 0 0 "[ . 1 . ]" 1
701 1 78 ASN HA 1 95 THR MG 3.600 . 3.800 2.372 1.926 3.075 . 0 0 "[ . 1 . ]" 1
702 1 79 TYR H 1 95 THR MG 5.200 . 5.400 3.686 3.459 3.975 . 0 0 "[ . 1 . ]" 1
703 1 49 LEU MD2 1 79 TYR H 6.500 3.000 6.700 5.211 4.882 5.507 . 0 0 "[ . 1 . ]" 1
704 1 43 LEU QB 1 80 SER H 6.000 2.500 6.200 5.237 4.812 5.436 . 0 0 "[ . 1 . ]" 1
705 1 49 LEU HG 1 80 SER H 5.800 2.300 6.000 5.659 5.370 5.980 . 0 0 "[ . 1 . ]" 1
706 1 80 SER HA 1 81 VAL MG1 4.600 . 4.800 3.738 3.459 3.872 . 0 0 "[ . 1 . ]" 1
707 1 81 VAL H 1 91 GLU QB 5.000 . 5.200 4.262 3.809 4.520 . 0 0 "[ . 1 . ]" 1
708 1 40 VAL MG2 1 82 VAL H 5.400 . 5.600 4.134 3.984 4.321 . 0 0 "[ . 1 . ]" 1
709 1 82 VAL HA 1 91 GLU HB3 3.600 . 3.800 2.218 1.944 2.607 . 0 0 "[ . 1 . ]" 1
710 1 82 VAL HA 1 91 GLU HB2 3.200 . 3.400 2.621 2.171 3.433 0.033 10 0 "[ . 1 . ]" 1
711 1 40 VAL MG2 1 83 VAL H 5.300 . 5.500 4.464 4.310 4.550 . 0 0 "[ . 1 . ]" 1
712 1 81 VAL MG2 1 83 VAL H 5.500 . 5.700 3.841 3.745 4.043 . 0 0 "[ . 1 . ]" 1
713 1 40 VAL MG2 1 83 VAL HA 4.300 . 4.500 3.263 3.114 3.445 . 0 0 "[ . 1 . ]" 1
714 1 40 VAL MG2 1 84 GLU H 5.900 2.400 6.100 4.976 4.883 5.043 . 0 0 "[ . 1 . ]" 1
715 1 84 GLU HA 1 89 LYS QB 4.000 . 4.200 3.665 3.215 3.892 . 0 0 "[ . 1 . ]" 1
716 1 85 ASN HB2 1 88 GLY H 4.200 . 4.400 4.220 3.918 4.414 0.014 14 0 "[ . 1 . ]" 1
717 1 85 ASN HB3 1 89 LYS HA 4.600 . 4.800 4.598 3.991 4.836 0.036 4 0 "[ . 1 . ]" 1
718 1 84 GLU QB 1 89 LYS HA 3.500 . 3.700 3.156 2.985 3.334 . 0 0 "[ . 1 . ]" 1
719 1 83 VAL QG 1 91 GLU H 6.500 3.000 6.700 4.539 3.221 5.074 . 0 0 "[ . 1 . ]" 1
720 1 81 VAL MG1 1 91 GLU HA 4.500 . 4.700 3.419 3.120 3.647 . 0 0 "[ . 1 . ]" 1
721 1 11 ILE MG 1 91 GLU HA 6.000 2.500 6.200 5.010 4.881 5.065 . 0 0 "[ . 1 . ]" 1
722 1 82 VAL QG 1 91 GLU HA 6.000 2.500 6.200 3.396 3.060 3.882 . 0 0 "[ . 1 . ]" 1
723 1 80 SER HB3 1 92 ALA H 4.000 . 4.200 4.061 3.609 4.264 0.064 9 0 "[ . 1 . ]" 1
724 1 81 VAL HB 1 92 ALA H 4.600 . 4.800 4.830 4.730 4.868 0.068 11 0 "[ . 1 . ]" 1
725 1 81 VAL MG2 1 92 ALA H 6.000 2.500 6.200 4.260 4.086 4.426 . 0 0 "[ . 1 . ]" 1
726 1 81 VAL MG1 1 92 ALA H 4.500 . 4.700 2.226 2.134 2.368 . 0 0 "[ . 1 . ]" 1
727 1 80 SER HB3 1 93 GLU HA 3.600 . 3.800 2.167 1.896 2.902 . 0 0 "[ . 1 . ]" 1
728 1 80 SER HB2 1 93 GLU HA 3.200 . 3.400 3.524 3.428 3.657 0.257 13 0 "[ . 1 . ]" 1
729 1 17 SER HB2 1 95 THR H 3.800 . 4.000 3.460 2.389 3.704 . 0 0 "[ . 1 . ]" 1
730 1 17 SER HB3 1 95 THR H 3.700 . 3.900 2.107 1.891 3.619 . 0 0 "[ . 1 . ]" 1
731 1 19 THR MG 1 97 THR H 5.100 . 5.300 3.372 2.960 3.682 . 0 0 "[ . 1 . ]" 1
732 1 11 ILE MD 1 15 PRO QD 6.500 . 6.700 4.831 4.488 4.932 . 0 0 "[ . 1 . ]" 1
733 1 11 ILE MD 1 92 ALA MB 5.000 . 5.200 2.626 2.066 3.278 . 0 0 "[ . 1 . ]" 1
734 1 11 ILE MG 1 92 ALA MB 5.500 . 5.700 2.807 2.507 3.176 . 0 0 "[ . 1 . ]" 1
735 1 12 LEU MD1 1 32 THR MG 5.200 . 5.400 3.538 3.354 3.858 . 0 0 "[ . 1 . ]" 1
736 1 12 LEU MD2 1 32 THR MG 6.000 . 6.200 4.057 3.939 4.369 . 0 0 "[ . 1 . ]" 1
737 1 12 LEU MD1 1 33 ASP HB2 4.500 . 4.700 2.666 1.890 3.709 . 0 0 "[ . 1 . ]" 1
738 1 12 LEU MD1 1 33 ASP HB3 4.200 . 4.400 2.158 1.836 3.368 . 0 0 "[ . 1 . ]" 1
739 1 12 LEU MD2 1 33 ASP HB2 4.400 . 4.600 3.073 2.209 3.770 . 0 0 "[ . 1 . ]" 1
740 1 12 LEU MD2 1 33 ASP HB3 4.700 . 4.900 2.928 1.809 3.897 . 0 0 "[ . 1 . ]" 1
741 1 13 THR HB 1 31 ASP HB3 3.600 . 3.800 2.654 2.230 3.836 0.036 5 0 "[ . 1 . ]" 1
742 1 13 THR HB 1 31 ASP HB2 4.000 . 4.200 2.973 2.389 3.485 . 0 0 "[ . 1 . ]" 1
743 1 15 PRO QD 1 30 CYS HB3 4.300 . 4.500 2.531 1.926 3.872 . 0 0 "[ . 1 . ]" 1
744 1 15 PRO QD 1 30 CYS HB2 4.800 . 5.000 2.565 2.077 3.174 . 0 0 "[ . 1 . ]" 1
745 1 15 PRO QD 1 30 CYS HG 4.800 . 5.000 3.616 2.886 4.211 . 0 0 "[ . 1 . ]" 1
746 1 15 PRO QD 1 81 VAL MG1 5.500 . 5.700 2.767 2.513 3.160 . 0 0 "[ . 1 . ]" 1
747 1 15 PRO QD 1 92 ALA MB 4.500 . 4.700 2.392 2.009 2.924 . 0 0 "[ . 1 . ]" 1
748 1 15 PRO QG 1 92 ALA MB 5.000 . 5.200 3.360 3.012 3.713 . 0 0 "[ . 1 . ]" 1
749 1 15 PRO QB 1 28 PHE QB 4.300 . 4.500 2.566 1.887 3.452 . 0 0 "[ . 1 . ]" 1
750 1 15 PRO QG 1 28 PHE QB 5.000 . 5.200 3.256 2.506 3.839 . 0 0 "[ . 1 . ]" 1
751 1 18 MET QB 1 20 VAL MG1 5.500 . 5.700 3.170 2.759 3.431 . 0 0 "[ . 1 . ]" 1
752 1 18 MET QB 1 20 VAL MG2 6.500 . 6.700 4.673 4.234 4.814 . 0 0 "[ . 1 . ]" 1
753 1 18 MET QG 1 26 ALA MB 5.300 . 5.500 3.662 3.090 4.050 . 0 0 "[ . 1 . ]" 1
754 1 18 MET QG 1 20 VAL MG1 5.400 . 5.600 2.885 2.403 4.131 . 0 0 "[ . 1 . ]" 1
755 1 19 THR MG 1 97 THR MG 5.000 . 5.200 3.455 3.308 3.552 . 0 0 "[ . 1 . ]" 1
756 1 19 THR MG 1 97 THR HB 4.500 . 4.700 2.149 1.912 2.339 . 0 0 "[ . 1 . ]" 1
757 1 19 THR MG 1 99 GLN QB 6.000 . 6.200 4.135 3.370 4.664 . 0 0 "[ . 1 . ]" 1
758 1 20 VAL MG1 1 26 ALA MB 5.000 . 5.200 2.308 1.851 2.853 . 0 0 "[ . 1 . ]" 1
759 1 20 VAL MG2 1 26 ALA MB 5.600 . 5.800 2.302 1.800 3.573 . 0 0 "[ . 1 . ]" 1
760 1 20 VAL MG2 1 71 VAL HB 5.800 . 6.000 4.562 2.635 4.986 . 0 0 "[ . 1 . ]" 1
761 1 20 VAL MG2 1 71 VAL MG2 6.500 . 6.700 3.983 2.851 4.580 . 0 0 "[ . 1 . ]" 1
762 1 21 TYR HB3 1 24 GLU QG 4.700 . 4.900 3.674 2.490 4.432 . 0 0 "[ . 1 . ]" 1
763 1 21 TYR HB2 1 24 GLU QG 5.000 . 5.200 2.836 2.235 3.762 . 0 0 "[ . 1 . ]" 1
764 1 21 TYR HB3 1 99 GLN QB 6.000 . 6.200 3.866 3.382 4.438 . 0 0 "[ . 1 . ]" 1
765 1 26 ALA MB 1 68 ILE HB 4.500 . 4.700 2.261 1.774 3.810 . 0 0 "[ . 1 . ]" 1
766 1 26 ALA MB 1 68 ILE MD 4.500 . 4.700 2.485 1.761 3.124 . 0 0 "[ . 1 . ]" 1
767 1 29 SER QB 1 65 THR MG 4.700 . 4.900 2.364 1.745 3.405 . 0 0 "[ . 1 . ]" 1
768 1 30 CYS HB3 1 81 VAL MG2 5.500 . 5.700 4.045 3.005 4.606 . 0 0 "[ . 1 . ]" 1
769 1 30 CYS HB2 1 81 VAL MG2 6.000 . 6.200 4.304 3.563 4.942 . 0 0 "[ . 1 . ]" 1
770 1 30 CYS HG 1 81 VAL MG2 4.200 . 4.400 2.859 2.096 3.436 . 0 0 "[ . 1 . ]" 1
771 1 31 ASP HB3 1 62 TYR HB3 6.300 . 6.500 6.302 4.436 6.562 0.062 2 0 "[ . 1 . ]" 1
772 1 31 ASP HB2 1 62 TYR HB3 5.800 . 6.000 6.035 5.862 6.125 0.125 13 0 "[ . 1 . ]" 1
773 1 37 VAL MG2 1 38 PRO HD2 4.600 . 4.800 3.813 3.458 3.955 . 0 0 "[ . 1 . ]" 1
774 1 37 VAL MG1 1 59 THR MG 6.400 . 6.600 4.416 3.865 4.637 . 0 0 "[ . 1 . ]" 1
775 1 39 THR MG 1 84 GLU QB 6.000 . 6.200 3.501 1.803 4.583 . 0 0 "[ . 1 . ]" 1
776 1 40 VAL MG2 1 81 VAL MG2 4.000 . 4.200 1.783 1.677 1.941 . 0 0 "[ . 1 . ]" 1
777 1 40 VAL MG1 1 81 VAL MG2 5.300 . 5.500 3.595 3.410 3.749 . 0 0 "[ . 1 . ]" 1
778 1 40 VAL MG2 1 64 SER HG 4.000 . 4.200 3.179 2.680 3.370 . 0 0 "[ . 1 . ]" 1
779 1 40 VAL MG2 1 64 SER HB3 4.000 . 4.200 2.890 2.430 3.355 . 0 0 "[ . 1 . ]" 1
780 1 40 VAL MG2 1 64 SER HB2 3.800 . 4.000 3.141 2.602 3.242 . 0 0 "[ . 1 . ]" 1
781 1 40 VAL MG2 1 83 VAL QG 6.000 . 6.200 1.703 1.628 2.161 . 0 0 "[ . 1 . ]" 1
782 1 41 THR HB 1 82 VAL HB 3.500 . 3.700 2.025 1.879 3.822 0.122 1 0 "[ . 1 . ]" 1
783 1 41 THR HB 1 82 VAL QG 4.600 . 4.800 2.578 1.736 2.950 . 0 0 "[ . 1 . ]" 1
784 1 41 THR HB 1 43 LEU QD 5.000 . 5.200 2.870 2.049 3.409 . 0 0 "[ . 1 . ]" 1
785 1 41 THR MG 1 82 VAL QG 5.000 . 5.200 3.073 2.490 3.202 . 0 0 "[ . 1 . ]" 1
786 1 41 THR MG 1 43 LEU QD . . 5.000 1.927 1.634 2.339 . 0 0 "[ . 1 . ]" 1
787 1 41 THR MG 1 48 VAL HB 5.000 . 5.200 4.153 3.782 4.391 . 0 0 "[ . 1 . ]" 1
788 1 41 THR MG 1 48 VAL MG1 5.500 . 5.700 3.328 2.822 3.729 . 0 0 "[ . 1 . ]" 1
789 1 42 TRP HB3 1 49 LEU MD2 3.900 . 4.100 1.794 1.753 1.855 . 0 0 "[ . 1 . ]" 1
790 1 42 TRP HB2 1 49 LEU MD2 3.700 . 3.900 3.034 2.808 3.125 . 0 0 "[ . 1 . ]" 1
791 1 43 LEU QD 1 48 VAL MG1 6.000 . 6.200 2.840 2.321 3.576 . 0 0 "[ . 1 . ]" 1
792 1 43 LEU QD 1 82 VAL HB 6.000 . 6.200 2.503 1.897 4.027 . 0 0 "[ . 1 . ]" 1
793 1 44 ARG HE 1 78 ASN HB3 4.500 . 4.700 3.366 1.945 4.689 . 0 0 "[ . 1 . ]" 1
794 1 44 ARG HE 1 78 ASN HB2 4.500 . 4.700 3.070 1.975 4.753 0.053 5 0 "[ . 1 . ]" 1
795 1 45 LYS QD 1 76 GLU QG 6.000 . 6.200 4.487 3.819 4.789 . 0 0 "[ . 1 . ]" 1
796 1 51 THR MG 1 57 VAL HB 4.400 . 4.600 2.400 1.739 3.886 . 0 0 "[ . 1 . ]" 1
797 1 51 THR MG 1 57 VAL QG 4.200 . 4.400 2.331 1.582 2.765 . 0 0 "[ . 1 . ]" 1
798 1 52 SER HB2 1 55 HIS HB2 6.500 . 6.700 4.783 3.312 6.706 0.006 6 0 "[ . 1 . ]" 1
799 1 52 SER HB2 1 57 VAL HB 6.500 . 6.700 6.735 6.085 7.129 0.429 5 0 "[ . 1 . ]" 1
800 1 54 ARG QB 1 72 GLN QG 5.000 . 5.200 3.713 2.143 4.237 . 0 0 "[ . 1 . ]" 1
801 1 54 ARG QG 1 72 GLN QG 5.500 . 5.700 3.420 1.923 4.492 . 0 0 "[ . 1 . ]" 1
802 1 54 ARG QB 1 70 SER HB3 5.800 . 6.000 4.774 3.605 5.385 . 0 0 "[ . 1 . ]" 1
803 1 55 HIS HB3 1 68 ILE MG 6.000 . 6.200 4.260 2.887 5.062 . 0 0 "[ . 1 . ]" 1
804 1 57 VAL QG 1 66 PHE QB 4.800 . 5.000 2.574 1.820 3.382 . 0 0 "[ . 1 . ]" 1
805 1 59 THR HB 1 64 SER QB 5.000 . 5.200 4.469 4.061 4.686 . 0 0 "[ . 1 . ]" 1
806 1 59 THR MG 1 64 SER HG 4.400 . 4.600 2.595 1.868 3.903 . 0 0 "[ . 1 . ]" 1
807 1 68 ILE HB 1 71 VAL HB 4.800 . 5.000 4.215 3.196 5.135 0.135 9 0 "[ . 1 . ]" 1
808 1 68 ILE HB 1 71 VAL MG1 5.000 . 5.200 4.091 2.783 4.329 . 0 0 "[ . 1 . ]" 1
809 1 71 VAL MG2 1 75 ASP HB3 4.400 . 4.600 3.222 1.766 3.755 . 0 0 "[ . 1 . ]" 1
810 1 71 VAL MG2 1 75 ASP HB2 4.600 . 4.800 2.421 1.781 3.976 . 0 0 "[ . 1 . ]" 1
811 1 76 GLU HB2 1 98 ILE MD 5.000 . 5.200 4.062 3.728 4.419 . 0 0 "[ . 1 . ]" 1
812 1 78 ASN HB3 1 95 THR MG 5.500 . 5.700 3.207 1.818 3.815 . 0 0 "[ . 1 . ]" 1
813 1 78 ASN HB2 1 95 THR MG 5.500 . 5.700 4.322 3.269 4.620 . 0 0 "[ . 1 . ]" 1
814 1 78 ASN HB3 1 95 THR HB 3.400 . 3.600 3.469 2.842 3.730 0.130 15 0 "[ . 1 . ]" 1
815 1 78 ASN HB2 1 95 THR HB 3.800 . 4.000 4.113 4.035 4.257 0.257 6 0 "[ . 1 . ]" 1
816 1 81 VAL MG1 1 83 VAL QG 5.500 . 5.700 2.491 2.065 2.705 . 0 0 "[ . 1 . ]" 1
817 1 81 VAL MG1 1 83 VAL HB 5.700 . 5.900 4.448 4.120 4.816 . 0 0 "[ . 1 . ]" 1
818 1 81 VAL MG2 1 83 VAL HB 4.600 . 4.800 3.882 3.613 4.019 . 0 0 "[ . 1 . ]" 1
819 1 81 VAL MG2 1 83 VAL QG 4.500 . 4.700 1.763 1.706 1.834 . 0 0 "[ . 1 . ]" 1
820 1 82 VAL HB 1 91 GLU QB 5.000 . 5.200 4.185 3.503 4.512 . 0 0 "[ . 1 . ]" 1
821 1 81 VAL HB 1 92 ALA MB 5.500 . 5.700 3.920 3.710 4.292 . 0 0 "[ . 1 . ]" 1
822 1 81 VAL MG1 1 92 ALA MB 4.500 . 4.700 1.772 1.678 1.966 . 0 0 "[ . 1 . ]" 1
823 1 81 VAL MG2 1 92 ALA MB 6.000 . 6.200 3.766 3.634 4.026 . 0 0 "[ . 1 . ]" 1
824 1 82 VAL QG 1 91 GLU QB 6.000 . 6.200 2.078 1.879 2.385 . 0 0 "[ . 1 . ]" 1
825 1 83 VAL HB 1 90 GLN QG 5.700 . 5.900 4.786 2.389 5.335 . 0 0 "[ . 1 . ]" 1
826 1 83 VAL HB 1 90 GLN QB 5.700 . 5.900 3.847 3.058 5.068 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 173.286
_Distance_constraint_stats_list.Viol_max 0.392
_Distance_constraint_stats_list.Viol_rms 0.0514
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.0994
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 MET 1.000 0.161 7 0 "[ . 1 . ]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 28 PHE 0.001 0.001 12 0 "[ . 1 . ]"
1 30 CYS 0.157 0.063 14 0 "[ . 1 . ]"
1 41 THR 0.101 0.037 16 0 "[ . 1 . ]"
1 43 LEU 0.464 0.162 15 0 "[ . 1 . ]"
1 56 GLN 0.537 0.082 11 0 "[ . 1 . ]"
1 58 THR 4.273 0.392 6 0 "[ . 1 . ]"
1 64 SER 0.157 0.063 14 0 "[ . 1 . ]"
1 65 THR 4.273 0.392 6 0 "[ . 1 . ]"
1 66 PHE 0.001 0.001 12 0 "[ . 1 . ]"
1 67 GLU 0.537 0.082 11 0 "[ . 1 . ]"
1 77 GLY 3.313 0.356 15 0 "[ . 1 . ]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 80 SER 0.464 0.162 15 0 "[ . 1 . ]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 82 VAL 0.101 0.037 16 0 "[ . 1 . ]"
1 83 VAL 0.023 0.019 11 0 "[ . 1 . ]"
1 85 ASN 0.962 0.103 10 0 "[ . 1 . ]"
1 88 GLY 0.962 0.103 10 0 "[ . 1 . ]"
1 90 GLN 0.023 0.019 11 0 "[ . 1 . ]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 94 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 96 LEU 3.313 0.356 15 0 "[ . 1 . ]"
1 97 THR 1.000 0.161 7 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 MET O 1 97 THR H 2.400 . 2.400 2.454 2.315 2.561 0.161 7 0 "[ . 1 . ]" 2
2 1 18 MET O 1 97 THR N 3.400 . 3.400 3.296 3.201 3.379 . 0 0 "[ . 1 . ]" 2
3 1 18 MET H 1 95 THR O 2.400 . 2.400 2.117 2.054 2.180 . 0 0 "[ . 1 . ]" 2
4 1 18 MET N 1 95 THR O 3.400 . 3.400 3.039 2.706 3.148 . 0 0 "[ . 1 . ]" 2
5 1 20 VAL H 1 97 THR O 2.400 . 2.400 2.127 2.083 2.216 . 0 0 "[ . 1 . ]" 2
6 1 20 VAL N 1 97 THR O 3.400 . 3.400 2.902 2.512 3.121 . 0 0 "[ . 1 . ]" 2
7 1 30 CYS O 1 64 SER H 2.400 . 2.400 2.276 2.072 2.463 0.063 14 0 "[ . 1 . ]" 2
8 1 30 CYS O 1 64 SER N 3.400 . 3.400 3.100 2.832 3.374 . 0 0 "[ . 1 . ]" 2
9 1 30 CYS H 1 64 SER O 2.400 . 2.400 2.110 2.020 2.158 . 0 0 "[ . 1 . ]" 2
10 1 30 CYS N 1 64 SER O 3.400 . 3.400 2.916 2.818 3.026 . 0 0 "[ . 1 . ]" 2
11 1 28 PHE O 1 66 PHE H 2.400 . 2.400 2.191 2.136 2.401 0.001 12 0 "[ . 1 . ]" 2
12 1 28 PHE O 1 66 PHE N 3.500 . 3.500 3.046 2.861 3.161 . 0 0 "[ . 1 . ]" 2
13 1 28 PHE H 1 66 PHE O 2.400 . 2.400 2.129 1.991 2.189 . 0 0 "[ . 1 . ]" 2
14 1 28 PHE N 1 66 PHE O 3.400 . 3.400 2.843 2.521 3.056 . 0 0 "[ . 1 . ]" 2
15 1 41 THR O 1 82 VAL H 2.400 . 2.400 2.270 2.149 2.437 0.037 16 0 "[ . 1 . ]" 2
16 1 41 THR O 1 82 VAL N 3.400 . 3.400 3.217 3.073 3.404 0.004 16 0 "[ . 1 . ]" 2
17 1 41 THR H 1 82 VAL O 2.400 . 2.400 2.119 2.083 2.153 . 0 0 "[ . 1 . ]" 2
18 1 41 THR N 1 82 VAL O 3.400 . 3.400 2.626 2.505 2.844 . 0 0 "[ . 1 . ]" 2
19 1 43 LEU O 1 80 SER H 2.400 . 2.400 2.312 2.145 2.562 0.162 15 0 "[ . 1 . ]" 2
20 1 43 LEU O 1 80 SER N 3.400 . 3.400 3.157 2.864 3.402 0.002 15 0 "[ . 1 . ]" 2
21 1 43 LEU H 1 80 SER O 2.400 . 2.400 2.076 2.019 2.113 . 0 0 "[ . 1 . ]" 2
22 1 43 LEU N 1 80 SER O 3.400 . 3.400 2.995 2.777 3.067 . 0 0 "[ . 1 . ]" 2
23 1 56 GLN O 1 67 GLU H 2.400 . 2.400 2.360 2.146 2.482 0.082 11 0 "[ . 1 . ]" 2
24 1 56 GLN O 1 67 GLU N 3.400 . 3.400 3.253 2.863 3.410 0.010 11 0 "[ . 1 . ]" 2
25 1 56 GLN H 1 67 GLU O 2.400 . 2.400 2.129 2.073 2.171 . 0 0 "[ . 1 . ]" 2
26 1 56 GLN N 1 67 GLU O 3.400 . 3.400 2.869 2.581 3.022 . 0 0 "[ . 1 . ]" 2
27 1 58 THR O 1 65 THR H 2.400 . 2.400 2.162 2.104 2.429 0.029 11 0 "[ . 1 . ]" 2
28 1 58 THR O 1 65 THR N 3.400 . 3.400 3.023 2.843 3.130 . 0 0 "[ . 1 . ]" 2
29 1 58 THR H 1 65 THR O 2.400 . 2.400 2.018 1.820 2.135 . 0 0 "[ . 1 . ]" 2
30 1 58 THR N 1 65 THR O 2.400 . 2.400 2.665 2.518 2.792 0.392 6 0 "[ . 1 . ]" 2
31 1 77 GLY O 1 96 LEU H 2.400 . 2.400 2.484 2.022 2.756 0.356 15 0 "[ . 1 . ]" 2
32 1 77 GLY O 1 96 LEU N 3.400 . 3.400 3.343 2.748 3.599 0.199 2 0 "[ . 1 . ]" 2
33 1 79 TYR O 1 94 PHE H 2.400 . 2.400 2.136 2.061 2.206 . 0 0 "[ . 1 . ]" 2
34 1 79 TYR O 1 94 PHE N 3.400 . 3.400 2.955 2.838 3.091 . 0 0 "[ . 1 . ]" 2
35 1 79 TYR H 1 94 PHE O 2.400 . 2.400 2.145 2.069 2.363 . 0 0 "[ . 1 . ]" 2
36 1 79 TYR N 1 94 PHE O 3.400 . 3.400 2.832 2.686 3.046 . 0 0 "[ . 1 . ]" 2
37 1 81 VAL O 1 92 ALA H 2.400 . 2.400 2.127 2.064 2.166 . 0 0 "[ . 1 . ]" 2
38 1 81 VAL O 1 92 ALA N 3.400 . 3.400 2.894 2.807 3.019 . 0 0 "[ . 1 . ]" 2
39 1 81 VAL H 1 92 ALA O 2.400 . 2.400 2.172 2.100 2.304 . 0 0 "[ . 1 . ]" 2
40 1 81 VAL N 1 92 ALA O 3.400 . 3.400 2.987 2.796 3.225 . 0 0 "[ . 1 . ]" 2
41 1 83 VAL O 1 90 GLN H 2.400 . 2.400 2.114 1.999 2.163 . 0 0 "[ . 1 . ]" 2
42 1 83 VAL O 1 90 GLN N 3.400 . 3.400 2.840 2.608 2.971 . 0 0 "[ . 1 . ]" 2
43 1 83 VAL H 1 90 GLN O 2.400 . 2.400 2.213 2.063 2.419 0.019 11 0 "[ . 1 . ]" 2
44 1 83 VAL N 1 90 GLN O 3.400 . 3.400 2.885 2.781 3.023 . 0 0 "[ . 1 . ]" 2
45 1 85 ASN O 1 88 GLY H 2.400 . 2.400 2.449 2.402 2.503 0.103 10 0 "[ . 1 . ]" 2
46 1 85 ASN O 1 88 GLY N 3.400 . 3.400 3.384 3.325 3.447 0.047 10 0 "[ . 1 . ]" 2
stop_
save_
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