NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544645 |
2lcr   |
17628 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcr
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 1546
_Distance_constraint_stats_list.Viol_count 1296
_Distance_constraint_stats_list.Viol_total 2199.467
_Distance_constraint_stats_list.Viol_max 0.963
_Distance_constraint_stats_list.Viol_rms 0.0436
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1131
_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 6 PRO 0.271 0.145 11 0 "[ . 1 .]"
1 7 VAL 2.578 0.571 14 1 "[ . 1 +.]"
1 8 LYS 0.627 0.244 6 0 "[ . 1 .]"
1 9 PRO 0.099 0.099 2 0 "[ . 1 .]"
1 10 SER 4.184 0.834 3 3 "[ + . -1 * .]"
1 11 ARG 3.594 0.571 14 1 "[ . 1 +.]"
1 12 GLY 0.298 0.145 1 0 "[ . 1 .]"
1 13 PRO 0.142 0.134 12 0 "[ . 1 .]"
1 14 LEU 3.156 0.817 15 1 "[ . 1 +]"
1 15 VAL 6.124 0.688 4 1 "[ +. 1 .]"
1 16 THR 2.995 0.394 4 0 "[ . 1 .]"
1 17 CYS 0.701 0.230 12 0 "[ . 1 .]"
1 18 THR 1.900 0.136 5 0 "[ . 1 .]"
1 19 CYS 3.691 0.399 8 0 "[ . 1 .]"
1 20 GLU 1.314 0.128 9 0 "[ . 1 .]"
1 21 SER 0.207 0.092 5 0 "[ . 1 .]"
1 22 PRO 4.415 0.542 6 2 "[ .+ 1 - .]"
1 23 HIS 6.215 0.293 9 0 "[ . 1 .]"
1 24 CYS 0.879 0.111 5 0 "[ . 1 .]"
1 25 LYS 5.543 0.766 9 6 "[ - .* +** *]"
1 26 GLY 12.803 0.746 3 7 "[-*+ ** *1 * .]"
1 27 PRO 17.055 0.766 9 7 "[ * .* +**- *]"
1 28 THR 7.986 0.746 3 5 "[- + ** 1 * .]"
1 29 CYS 0.391 0.230 12 0 "[ . 1 .]"
1 30 ARG 5.479 0.817 15 1 "[ . 1 +]"
1 31 GLY 2.995 0.548 15 1 "[ . 1 +]"
1 32 ALA 4.798 0.399 8 0 "[ . 1 .]"
1 33 TRP 7.070 0.515 12 2 "[ .- 1 + .]"
1 34 CYS 2.161 0.434 4 0 "[ . 1 .]"
1 35 THR 2.286 0.122 15 0 "[ . 1 .]"
1 36 VAL 8.791 0.571 14 1 "[ . 1 +.]"
1 37 VAL 3.702 0.726 5 1 "[ + 1 .]"
1 38 LEU 2.783 0.212 6 0 "[ . 1 .]"
1 39 VAL 1.412 0.210 12 0 "[ . 1 .]"
1 40 ARG 1.362 0.167 2 0 "[ . 1 .]"
1 41 GLU 5.475 0.922 12 3 "[ - . 1 +* .]"
1 42 GLU 0.718 0.180 2 0 "[ . 1 .]"
1 43 GLY 1.057 0.591 3 1 "[ + . 1 .]"
1 44 ARG 8.314 0.821 10 5 "[ * . *+ -*.]"
1 45 HIS 6.492 0.831 13 4 "[ . ** +-.]"
1 46 PRO 2.851 0.922 12 2 "[ - . 1 + .]"
1 47 GLN 2.530 0.963 13 1 "[ . 1 + .]"
1 48 GLU 2.781 0.436 1 0 "[ . 1 .]"
1 49 HIS 0.045 0.033 9 0 "[ . 1 .]"
1 50 ARG 1.337 0.358 8 0 "[ . 1 .]"
1 51 GLY 0.095 0.040 13 0 "[ . 1 .]"
1 52 CYS 6.358 0.310 1 0 "[ . 1 .]"
1 53 GLY 1.234 0.119 12 0 "[ . 1 .]"
1 54 ASN 4.533 0.834 3 3 "[ + . -1 * .]"
1 55 LEU 1.294 0.358 12 0 "[ . 1 .]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 57 ARG 3.517 0.773 6 1 "[ .+ 1 .]"
1 58 GLU 1.783 0.869 15 2 "[ .- 1 +]"
1 59 LEU 3.373 0.869 15 2 "[ .- 1 +]"
1 60 CYS 3.014 0.495 2 0 "[ . 1 .]"
1 61 ARG 5.041 0.773 6 2 "[ .+ 1 - .]"
1 62 GLY 0.848 0.448 1 0 "[ . 1 .]"
1 63 ARG 1.587 0.502 1 1 "[+ . 1 .]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 65 THR 3.007 0.281 1 0 "[ . 1 .]"
1 66 GLU 5.990 0.845 11 3 "[ . - 1+ *]"
1 67 PHE 3.403 0.527 13 1 "[ . 1 + .]"
1 68 VAL 6.719 0.845 11 3 "[ . - 1+ *]"
1 69 ASN 3.436 0.361 10 0 "[ . 1 .]"
1 70 HIS 3.869 0.726 5 1 "[ + 1 .]"
1 71 TYR 3.677 0.423 7 0 "[ . 1 .]"
1 72 CYS 3.971 0.515 12 2 "[ .- 1 + .]"
1 73 CYS 4.370 0.947 4 2 "[- +. 1 .]"
1 74 ASP 3.612 0.947 4 2 "[- +. 1 .]"
1 75 SER 7.164 0.780 2 4 "[ + *. -*1 .]"
1 76 HIS 5.153 0.780 2 3 "[ + . -*1 .]"
1 77 LEU 2.294 0.399 8 0 "[ . 1 .]"
1 78 CYS 2.830 0.260 4 0 "[ . 1 .]"
1 79 ASN 2.810 0.358 8 0 "[ . 1 .]"
1 80 HIS 1.429 0.143 15 0 "[ . 1 .]"
1 81 ASN 1.035 0.136 5 0 "[ . 1 .]"
1 82 VAL 1.342 0.121 2 0 "[ . 1 .]"
1 83 SER 0.065 0.030 3 0 "[ . 1 .]"
1 84 LEU 8.009 0.462 3 0 "[ . 1 .]"
1 85 VAL 8.536 0.547 10 2 "[ . + -.]"
1 86 LEU 3.093 0.324 7 0 "[ . 1 .]"
1 87 GLU 4.618 0.547 10 2 "[ . +- .]"
1 88 ALA 4.652 0.518 11 2 "[ . 1+ -.]"
1 89 THR 0.803 0.286 15 0 "[ . 1 .]"
1 90 GLN 2.368 0.436 1 0 "[ . 1 .]"
1 92 PRO 2.161 0.120 4 0 "[ . 1 .]"
1 93 SER 0.509 0.083 14 0 "[ . 1 .]"
1 94 GLU 2.363 0.571 14 1 "[ . 1 +.]"
1 95 GLN 0.167 0.054 8 0 "[ . 1 .]"
1 96 PRO 0.498 0.254 4 0 "[ . 1 .]"
1 97 GLY 0.498 0.254 4 0 "[ . 1 .]"
1 98 THR 0.154 0.124 8 0 "[ . 1 .]"
1 99 ASP 0.348 0.124 8 0 "[ . 1 .]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 101 GLN 1.806 0.527 13 1 "[ . 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 58 GLU HB3 1 59 LEU H 3.500 . 5.000 2.956 2.292 3.923 . 0 0 "[ . 1 .]" 1
2 1 59 LEU H 1 59 LEU HG 2.400 . 3.100 2.270 1.720 2.567 . 0 0 "[ . 1 .]" 1
3 1 59 LEU H 1 59 LEU HB2 2.500 . 3.300 2.606 2.398 3.557 0.257 6 0 "[ . 1 .]" 1
4 1 59 LEU H 1 59 LEU HB3 3.500 . 5.000 3.513 2.988 3.611 . 0 0 "[ . 1 .]" 1
5 1 59 LEU H 1 59 LEU MD1 3.300 . 4.700 3.513 2.441 3.811 . 0 0 "[ . 1 .]" 1
6 1 59 LEU H 1 59 LEU MD2 3.500 . 5.000 3.341 3.154 3.512 . 0 0 "[ . 1 .]" 1
7 1 21 SER QB 1 24 CYS H 3.400 . 6.000 5.582 5.396 5.682 . 0 0 "[ . 1 .]" 1
8 1 23 HIS HB3 1 24 CYS H 4.900 . 6.000 4.533 4.455 4.646 . 0 0 "[ . 1 .]" 1
9 1 23 HIS HB2 1 24 CYS H 3.500 . 5.100 3.816 3.515 4.338 . 0 0 "[ . 1 .]" 1
10 1 23 HIS HA 1 24 CYS H 3.100 . 4.300 3.151 2.773 3.286 . 0 0 "[ . 1 .]" 1
11 1 24 CYS H 1 24 CYS HA 2.500 . 3.300 2.915 2.873 2.931 . 0 0 "[ . 1 .]" 1
12 1 24 CYS H 1 24 CYS QB 2.900 . 3.100 2.852 2.566 3.098 . 0 0 "[ . 1 .]" 1
13 1 81 ASN HA 1 82 VAL H 3.300 . 4.600 2.758 2.262 3.152 . 0 0 "[ . 1 .]" 1
14 1 79 ASN HA 1 82 VAL H 4.700 . 6.000 3.407 2.744 4.212 . 0 0 "[ . 1 .]" 1
15 1 82 VAL H 1 82 VAL HA 2.900 . 4.000 2.903 2.814 2.962 . 0 0 "[ . 1 .]" 1
16 1 82 VAL H 1 82 VAL HB 2.500 . 3.300 2.696 2.422 3.060 . 0 0 "[ . 1 .]" 1
17 1 36 VAL MG1 1 82 VAL H 5.800 . 6.000 4.426 4.123 4.732 . 0 0 "[ . 1 .]" 1
18 1 82 VAL H 1 82 VAL MG1 2.500 . 3.300 2.099 1.921 2.263 . 0 0 "[ . 1 .]" 1
19 1 54 ASN HB3 1 54 ASN QD 3.500 . 5.000 2.793 2.169 3.330 . 0 0 "[ . 1 .]" 1
20 1 47 GLN HE22 1 47 GLN QG 3.400 . 4.900 3.353 3.206 3.498 . 0 0 "[ . 1 .]" 1
21 1 33 TRP HE1 1 53 GLY HA3 4.800 . 6.000 2.693 2.230 3.118 . 0 0 "[ . 1 .]" 1
22 1 33 TRP HE1 1 35 THR MG 2.700 . 3.600 2.465 2.228 2.822 . 0 0 "[ . 1 .]" 1
23 1 18 THR HA 1 19 CYS H 2.400 . 3.100 2.261 2.145 2.394 . 0 0 "[ . 1 .]" 1
24 1 18 THR MG 1 19 CYS H 2.900 . 3.900 2.737 2.109 3.767 . 0 0 "[ . 1 .]" 1
25 1 19 CYS H 1 28 THR MG 3.500 . 5.000 2.984 2.422 3.666 . 0 0 "[ . 1 .]" 1
26 1 38 LEU H 1 38 LEU HA 2.800 . 3.800 2.901 2.868 2.924 . 0 0 "[ . 1 .]" 1
27 1 37 VAL HA 1 38 LEU H 2.500 . 3.300 2.147 2.110 2.194 . 0 0 "[ . 1 .]" 1
28 1 38 LEU H 1 38 LEU HB3 2.800 . 3.800 2.442 2.301 2.580 . 0 0 "[ . 1 .]" 1
29 1 38 LEU H 1 38 LEU HB2 3.200 . 4.500 2.779 2.687 2.901 . 0 0 "[ . 1 .]" 1
30 1 19 CYS HA 1 20 GLU H 2.100 . 2.600 2.203 2.137 2.297 . 0 0 "[ . 1 .]" 1
31 1 20 GLU H 1 20 GLU HB3 3.000 . 4.100 2.959 2.554 3.236 . 0 0 "[ . 1 .]" 1
32 1 20 GLU H 1 20 GLU HB2 2.600 . 3.500 3.158 2.617 3.351 . 0 0 "[ . 1 .]" 1
33 1 19 CYS QB 1 20 GLU H 4.300 . 5.000 3.374 2.827 3.956 . 0 0 "[ . 1 .]" 1
34 1 18 THR MG 1 20 GLU H 4.000 . 6.000 4.378 3.490 4.702 . 0 0 "[ . 1 .]" 1
35 1 39 VAL MG1 1 40 ARG H 3.200 . 4.500 3.158 2.618 3.508 . 0 0 "[ . 1 .]" 1
36 1 39 VAL HA 1 40 ARG H 2.300 . 3.000 2.180 2.102 2.246 . 0 0 "[ . 1 .]" 1
37 1 83 SER HA 1 84 LEU H 3.000 . 4.100 2.206 2.138 2.377 . 0 0 "[ . 1 .]" 1
38 1 84 LEU H 1 84 LEU QB 3.100 . 4.300 2.498 2.134 3.122 . 0 0 "[ . 1 .]" 1
39 1 84 LEU H 1 84 LEU HG 3.600 . 5.200 3.781 2.517 4.795 . 0 0 "[ . 1 .]" 1
40 1 7 VAL HB 1 8 LYS H 5.200 . 6.000 3.429 2.243 4.400 . 0 0 "[ . 1 .]" 1
41 1 8 LYS H 1 8 LYS QB . . 4.300 2.764 2.268 3.428 . 0 0 "[ . 1 .]" 1
42 1 7 VAL MG1 1 8 LYS H 4.300 . 6.000 3.668 2.331 4.342 . 0 0 "[ . 1 .]" 1
43 1 38 LEU HA 1 39 VAL H 2.300 . 2.900 2.144 2.110 2.205 . 0 0 "[ . 1 .]" 1
44 1 39 VAL H 1 39 VAL HB 2.700 . 3.600 2.541 2.359 2.615 . 0 0 "[ . 1 .]" 1
45 1 38 LEU HG 1 39 VAL H 3.900 . 5.800 3.265 2.820 3.741 . 0 0 "[ . 1 .]" 1
46 1 38 LEU MD1 1 39 VAL H 2.700 . 3.600 2.867 2.444 3.350 . 0 0 "[ . 1 .]" 1
47 1 39 VAL H 1 39 VAL MG2 3.000 . 4.100 2.262 2.165 2.612 . 0 0 "[ . 1 .]" 1
48 1 70 HIS QB 1 71 TYR H 4.600 . 5.600 3.565 2.817 3.898 . 0 0 "[ . 1 .]" 1
49 1 37 VAL QG 1 71 TYR H 3.100 . 4.300 3.470 3.110 3.651 . 0 0 "[ . 1 .]" 1
50 1 71 TYR H 1 84 LEU QD 4.700 . 6.000 3.597 2.964 4.211 . 0 0 "[ . 1 .]" 1
51 1 70 HIS HA 1 71 TYR H 2.200 . 2.800 2.152 2.015 2.293 . 0 0 "[ . 1 .]" 1
52 1 71 TYR H 1 71 TYR HA 3.000 . 4.100 2.950 2.924 2.964 . 0 0 "[ . 1 .]" 1
53 1 71 TYR H 1 71 TYR HB3 2.500 . 3.300 2.544 2.460 2.721 . 0 0 "[ . 1 .]" 1
54 1 71 TYR H 1 71 TYR HB2 2.800 . 3.800 2.923 2.718 3.255 . 0 0 "[ . 1 .]" 1
55 1 36 VAL HB 1 71 TYR H 5.300 . 6.000 4.586 4.391 4.880 . 0 0 "[ . 1 .]" 1
56 1 36 VAL HA 1 37 VAL H 2.200 . 2.800 2.317 2.170 2.411 . 0 0 "[ . 1 .]" 1
57 1 37 VAL H 1 37 VAL HB 2.900 . 3.900 3.562 3.292 3.723 . 0 0 "[ . 1 .]" 1
58 1 36 VAL MG1 1 37 VAL H 4.600 . 6.000 3.808 3.509 4.166 . 0 0 "[ . 1 .]" 1
59 1 36 VAL MG2 1 37 VAL H 2.800 . 3.800 3.433 3.111 3.680 . 0 0 "[ . 1 .]" 1
60 1 37 VAL H 1 37 VAL QG 3.200 . 4.400 2.451 2.214 2.606 . 0 0 "[ . 1 .]" 1
61 1 16 THR HA 1 17 CYS H 2.200 . 2.800 2.172 2.127 2.249 . 0 0 "[ . 1 .]" 1
62 1 17 CYS H 1 17 CYS HB2 2.900 . 4.000 2.795 2.614 2.951 . 0 0 "[ . 1 .]" 1
63 1 17 CYS H 1 30 ARG QG 5.200 . 6.000 5.299 4.214 6.013 0.013 15 0 "[ . 1 .]" 1
64 1 16 THR MG 1 17 CYS H 2.700 . 3.600 2.397 2.235 2.561 . 0 0 "[ . 1 .]" 1
65 1 40 ARG HA 1 41 GLU H 2.100 . 2.600 2.362 2.060 2.721 0.121 3 0 "[ . 1 .]" 1
66 1 41 GLU H 1 41 GLU HA 2.600 . 3.400 2.727 2.250 2.911 . 0 0 "[ . 1 .]" 1
67 1 41 GLU H 1 41 GLU QG 3.100 . 4.300 3.591 2.108 4.223 . 0 0 "[ . 1 .]" 1
68 1 41 GLU H 1 41 GLU QB 2.900 . 3.900 2.444 2.146 3.001 . 0 0 "[ . 1 .]" 1
69 1 40 ARG QG 1 41 GLU H 3.300 . 4.700 3.644 1.881 4.498 0.119 5 0 "[ . 1 .]" 1
70 1 86 LEU H 1 86 LEU HA 2.900 . 4.000 2.583 2.265 2.913 . 0 0 "[ . 1 .]" 1
71 1 86 LEU H 1 86 LEU QB 2.400 . 3.100 2.618 2.152 3.148 0.048 11 0 "[ . 1 .]" 1
72 1 85 VAL QG 1 86 LEU H 2.800 . 3.800 3.075 2.440 3.643 . 0 0 "[ . 1 .]" 1
73 1 85 VAL HA 1 86 LEU H 2.400 . 3.100 2.745 2.108 3.424 0.324 7 0 "[ . 1 .]" 1
74 1 101 GLN H 1 101 GLN QG 4.900 . 6.000 3.458 1.959 4.367 . 0 0 "[ . 1 .]" 1
75 1 101 GLN H 1 101 GLN HB2 3.500 . 5.100 3.101 2.471 4.023 . 0 0 "[ . 1 .]" 1
76 1 87 GLU HA 1 101 GLN H 3.000 . 6.000 5.128 3.275 6.175 0.175 15 0 "[ . 1 .]" 1
77 1 56 HIS HA 1 57 ARG H 3.300 . 4.600 2.181 2.089 2.532 . 0 0 "[ . 1 .]" 1
78 1 88 ALA H 1 88 ALA HA 2.900 . 3.900 2.621 2.258 2.944 . 0 0 "[ . 1 .]" 1
79 1 87 GLU HA 1 88 ALA H 2.400 . 3.100 2.831 2.148 3.422 0.322 12 0 "[ . 1 .]" 1
80 1 87 GLU QG 1 88 ALA H 4.600 . 6.000 3.437 1.859 4.493 0.041 13 0 "[ . 1 .]" 1
81 1 87 GLU HB2 1 88 ALA H 3.800 . 6.000 4.043 3.107 4.688 . 0 0 "[ . 1 .]" 1
82 1 87 GLU HB3 1 88 ALA H 3.800 . 5.600 3.251 1.482 4.477 0.518 11 1 "[ . 1+ .]" 1
83 1 88 ALA H 1 88 ALA MB 2.700 . 3.600 2.717 2.217 3.079 . 0 0 "[ . 1 .]" 1
84 1 85 VAL QG 1 88 ALA H 3.600 . 5.200 3.560 1.627 5.703 0.503 14 1 "[ . 1 +.]" 1
85 1 71 TYR HA 1 72 CYS H 2.400 . 3.100 2.286 2.062 2.428 . 0 0 "[ . 1 .]" 1
86 1 72 CYS H 1 72 CYS HB3 3.300 . 4.600 3.680 3.071 3.980 . 0 0 "[ . 1 .]" 1
87 1 32 ALA H 1 52 CYS HB2 4.000 . 6.000 2.877 2.614 3.337 . 0 0 "[ . 1 .]" 1
88 1 15 VAL QG 1 32 ALA H 6.000 . 6.000 4.335 3.391 5.007 . 0 0 "[ . 1 .]" 1
89 1 31 GLY QA 1 32 ALA H 3.200 . 4.500 2.065 2.017 2.138 . 0 0 "[ . 1 .]" 1
90 1 32 ALA H 1 32 ALA MB 2.300 . 3.000 2.464 2.275 2.592 . 0 0 "[ . 1 .]" 1
91 1 14 LEU HA 1 32 ALA H 5.500 . 6.000 4.906 4.533 5.296 . 0 0 "[ . 1 .]" 1
92 1 89 THR HA 1 90 GLN H 2.400 . 3.100 2.580 2.107 3.193 0.093 4 0 "[ . 1 .]" 1
93 1 90 GLN H 1 90 GLN QG 3.500 . 5.100 3.003 2.156 4.255 . 0 0 "[ . 1 .]" 1
94 1 90 GLN H 1 90 GLN HB2 3.700 . 5.400 2.908 2.385 3.939 . 0 0 "[ . 1 .]" 1
95 1 89 THR MG 1 90 GLN H 4.300 . 6.000 3.861 3.236 4.368 . 0 0 "[ . 1 .]" 1
96 1 21 SER H 1 25 LYS HA 3.400 . 4.800 4.038 3.208 4.762 . 0 0 "[ . 1 .]" 1
97 1 21 SER H 1 22 PRO QD . . 4.800 2.093 2.024 2.146 . 0 0 "[ . 1 .]" 1
98 1 21 SER H 1 25 LYS QE 3.300 . 6.000 5.237 3.472 6.092 0.092 5 0 "[ . 1 .]" 1
99 1 20 GLU QG 1 21 SER H 4.300 . 6.000 3.959 3.454 4.341 . 0 0 "[ . 1 .]" 1
100 1 20 GLU HB3 1 21 SER H 3.900 . 5.800 4.409 4.299 4.509 . 0 0 "[ . 1 .]" 1
101 1 20 GLU HB2 1 21 SER H 4.300 . 6.000 4.593 4.528 4.677 . 0 0 "[ . 1 .]" 1
102 1 42 GLU H 1 42 GLU HA 2.600 . 3.400 2.690 2.248 2.944 . 0 0 "[ . 1 .]" 1
103 1 42 GLU H 1 42 GLU QG 3.200 . 4.500 3.924 1.968 4.357 . 0 0 "[ . 1 .]" 1
104 1 42 GLU H 1 42 GLU QB 2.200 . 2.800 2.502 2.022 2.822 0.022 10 0 "[ . 1 .]" 1
105 1 41 GLU QB 1 42 GLU H 3.600 . 5.200 3.131 1.820 4.024 0.180 2 0 "[ . 1 .]" 1
106 1 17 CYS HA 1 77 LEU H 2.900 . 3.900 2.562 2.254 3.058 . 0 0 "[ . 1 .]" 1
107 1 76 HIS HA 1 77 LEU H 2.200 . 2.800 2.158 2.098 2.209 . 0 0 "[ . 1 .]" 1
108 1 77 LEU H 1 78 CYS HA 5.600 . 6.000 5.173 5.058 5.325 . 0 0 "[ . 1 .]" 1
109 1 77 LEU H 1 77 LEU HA 2.300 . 2.900 2.271 2.263 2.280 . 0 0 "[ . 1 .]" 1
110 1 76 HIS QB 1 77 LEU H 3.600 . 5.200 2.994 2.804 3.112 . 0 0 "[ . 1 .]" 1
111 1 77 LEU H 1 77 LEU QB 3.300 . 4.700 2.900 2.741 3.209 . 0 0 "[ . 1 .]" 1
112 1 15 VAL MG1 1 77 LEU H 4.300 . 6.000 3.230 2.859 5.312 . 0 0 "[ . 1 .]" 1
113 1 77 LEU H 1 77 LEU QD 3.800 . 3.800 2.497 2.102 2.758 . 0 0 "[ . 1 .]" 1
114 1 38 LEU HA 1 49 HIS H 3.700 . 5.400 3.056 2.812 3.441 . 0 0 "[ . 1 .]" 1
115 1 49 HIS H 1 49 HIS QB . . 3.700 2.505 2.424 2.621 . 0 0 "[ . 1 .]" 1
116 1 37 VAL QG 1 49 HIS H 3.500 . 5.000 3.736 3.324 4.135 . 0 0 "[ . 1 .]" 1
117 1 36 VAL H 1 72 CYS HA 4.800 . 6.000 3.558 3.335 3.871 . 0 0 "[ . 1 .]" 1
118 1 35 THR MG 1 36 VAL H 3.900 . 5.800 3.759 3.437 3.940 . 0 0 "[ . 1 .]" 1
119 1 36 VAL H 1 84 LEU QD 4.200 . 6.000 4.171 3.728 4.601 . 0 0 "[ . 1 .]" 1
120 1 11 ARG H 1 55 LEU HA 3.400 . 4.800 4.447 3.283 4.916 0.116 3 0 "[ . 1 .]" 1
121 1 11 ARG H 1 11 ARG QG 4.100 . 6.000 3.726 2.396 4.500 . 0 0 "[ . 1 .]" 1
122 1 8 LYS QB 1 11 ARG H 3.600 . 5.200 3.456 2.112 4.635 . 0 0 "[ . 1 .]" 1
123 1 49 HIS QB 1 50 ARG H 3.900 . 4.100 3.307 2.825 3.596 . 0 0 "[ . 1 .]" 1
124 1 20 GLU HB3 1 50 ARG H 3.500 . 5.000 2.657 2.225 2.976 . 0 0 "[ . 1 .]" 1
125 1 50 ARG H 1 50 ARG QG 3.100 . 4.300 2.178 1.943 2.540 . 0 0 "[ . 1 .]" 1
126 1 81 ASN HA 1 94 GLU H 4.100 . 6.000 3.923 2.872 6.046 0.046 13 0 "[ . 1 .]" 1
127 1 93 SER QB 1 94 GLU H 4.300 . 6.000 3.155 1.916 4.053 . 0 0 "[ . 1 .]" 1
128 1 8 LYS HA 1 11 ARG H 4.800 . 6.000 4.708 2.794 5.742 . 0 0 "[ . 1 .]" 1
129 1 49 HIS HA 1 50 ARG H 2.300 . 2.900 2.163 2.086 2.342 . 0 0 "[ . 1 .]" 1
130 1 47 GLN HA 1 48 GLU H 2.300 . 2.900 2.153 2.096 2.226 . 0 0 "[ . 1 .]" 1
131 1 47 GLN QG 1 48 GLU H 4.600 . 6.000 4.222 3.912 4.586 . 0 0 "[ . 1 .]" 1
132 1 38 LEU MD1 1 48 GLU H 3.600 . 5.200 3.167 2.693 3.705 . 0 0 "[ . 1 .]" 1
133 1 98 THR HA 1 99 ASP H 2.900 . 3.900 2.499 2.109 3.522 . 0 0 "[ . 1 .]" 1
134 1 98 THR HB 1 99 ASP H 4.300 . 6.000 3.770 1.876 4.443 0.124 8 0 "[ . 1 .]" 1
135 1 99 ASP H 1 99 ASP QB 3.400 . 4.900 2.684 2.281 3.295 . 0 0 "[ . 1 .]" 1
136 1 88 ALA HA 1 99 ASP H 2.600 . 6.000 5.624 3.225 6.081 0.081 8 0 "[ . 1 .]" 1
137 1 93 SER HA 1 94 GLU H 2.300 . 6.000 2.863 2.104 3.582 . 0 0 "[ . 1 .]" 1
138 1 92 PRO QB 1 94 GLU H 3.500 . 6.000 4.126 2.197 5.107 . 0 0 "[ . 1 .]" 1
139 1 94 GLU H 1 94 GLU HB3 2.700 . 6.000 3.329 2.394 4.117 . 0 0 "[ . 1 .]" 1
140 1 94 GLU H 1 94 GLU HB2 2.600 . 3.400 3.057 2.431 3.533 0.133 5 0 "[ . 1 .]" 1
141 1 83 SER HA 1 94 GLU H 4.900 . 6.000 4.228 2.874 6.030 0.030 13 0 "[ . 1 .]" 1
142 1 94 GLU H 1 95 GLN HA 4.000 . 6.000 5.176 4.568 5.629 . 0 0 "[ . 1 .]" 1
143 1 94 GLU HA 1 95 GLN H 3.300 . 4.600 2.846 2.175 3.604 . 0 0 "[ . 1 .]" 1
144 1 17 CYS HA 1 18 THR H 2.500 . 3.300 2.270 2.156 2.420 . 0 0 "[ . 1 .]" 1
145 1 18 THR H 1 77 LEU HA 3.300 . 4.700 2.979 2.596 3.371 . 0 0 "[ . 1 .]" 1
146 1 18 THR H 1 18 THR HB 2.400 . 3.100 2.544 2.418 2.706 . 0 0 "[ . 1 .]" 1
147 1 17 CYS HB3 1 18 THR H 2.900 . 4.000 3.021 2.725 3.260 . 0 0 "[ . 1 .]" 1
148 1 17 CYS HB2 1 18 THR H 3.800 . 5.600 4.003 3.698 4.215 . 0 0 "[ . 1 .]" 1
149 1 18 THR H 1 18 THR MG 4.100 . 6.000 3.745 3.704 3.771 . 0 0 "[ . 1 .]" 1
150 1 18 THR H 1 77 LEU QD 3.600 . 5.200 2.890 2.505 3.398 . 0 0 "[ . 1 .]" 1
151 1 69 ASN HA 1 70 HIS H 2.800 . 3.800 2.380 2.118 2.898 . 0 0 "[ . 1 .]" 1
152 1 68 VAL QG 1 70 HIS H 3.700 . 5.400 3.125 2.575 3.912 . 0 0 "[ . 1 .]" 1
153 1 68 VAL HA 1 69 ASN H 2.600 . 3.400 2.374 2.088 3.517 0.117 7 0 "[ . 1 .]" 1
154 1 68 VAL MG2 1 69 ASN H 3.200 . 4.500 2.631 1.858 4.107 0.042 6 0 "[ . 1 .]" 1
155 1 62 GLY HA3 1 63 ARG H 2.800 . 3.800 2.662 2.129 3.564 . 0 0 "[ . 1 .]" 1
156 1 63 ARG H 1 63 ARG HB3 3.500 . 5.100 3.709 2.930 3.893 . 0 0 "[ . 1 .]" 1
157 1 63 ARG H 1 63 ARG HB2 2.400 . 3.100 2.836 2.639 3.602 0.502 1 1 "[+ . 1 .]" 1
158 1 86 LEU HA 1 87 GLU H 2.400 . 3.100 2.703 2.126 3.241 0.141 2 0 "[ . 1 .]" 1
159 1 87 GLU H 1 87 GLU QG 3.700 . 5.500 4.202 3.931 4.439 . 0 0 "[ . 1 .]" 1
160 1 87 GLU H 1 87 GLU HB2 3.100 . 6.000 3.096 2.348 3.574 . 0 0 "[ . 1 .]" 1
161 1 87 GLU H 1 87 GLU HB3 2.800 . 3.800 3.031 2.543 3.597 . 0 0 "[ . 1 .]" 1
162 1 86 LEU QB 1 87 GLU H 3.000 . 4.100 3.720 3.120 4.033 . 0 0 "[ . 1 .]" 1
163 1 85 VAL QG 1 87 GLU H 3.200 . 4.500 3.046 1.353 4.201 0.547 10 1 "[ . + .]" 1
164 1 15 VAL HA 1 16 THR H 2.200 . 2.800 2.168 2.136 2.235 . 0 0 "[ . 1 .]" 1
165 1 16 THR H 1 16 THR HB 2.500 . 3.300 2.385 2.245 2.506 . 0 0 "[ . 1 .]" 1
166 1 15 VAL HB 1 16 THR H 3.200 . 4.500 4.319 3.244 4.505 0.005 6 0 "[ . 1 .]" 1
167 1 16 THR H 1 16 THR MG 4.000 . 6.000 3.720 3.600 3.787 . 0 0 "[ . 1 .]" 1
168 1 15 VAL MG1 1 16 THR H 2.900 . 3.900 3.140 2.938 4.294 0.394 4 0 "[ . 1 .]" 1
169 1 15 VAL H 1 76 HIS HA 2.700 . 6.000 6.001 5.488 6.070 0.070 8 0 "[ . 1 .]" 1
170 1 14 LEU HB2 1 15 VAL H 3.300 . 4.600 4.392 4.231 4.585 . 0 0 "[ . 1 .]" 1
171 1 15 VAL H 1 15 VAL MG2 2.500 . 3.300 2.745 2.500 3.083 . 0 0 "[ . 1 .]" 1
172 1 14 LEU QD 1 15 VAL H 3.300 . 4.700 3.419 2.511 3.678 . 0 0 "[ . 1 .]" 1
173 1 74 ASP H 1 74 ASP HA 2.800 . 3.800 2.940 2.915 2.954 . 0 0 "[ . 1 .]" 1
174 1 38 LEU HA 1 47 GLN H 3.300 . 4.700 4.089 3.520 4.327 . 0 0 "[ . 1 .]" 1
175 1 73 CYS HA 1 74 ASP H 2.300 . 3.000 2.452 2.197 2.688 . 0 0 "[ . 1 .]" 1
176 1 74 ASP H 1 78 CYS HB3 6.000 . 6.000 4.875 4.356 5.868 . 0 0 "[ . 1 .]" 1
177 1 73 CYS HB2 1 74 ASP H 3.200 . 4.500 3.644 2.827 4.135 . 0 0 "[ . 1 .]" 1
178 1 74 ASP H 1 78 CYS HB2 6.000 . 6.000 4.753 4.148 5.635 . 0 0 "[ . 1 .]" 1
179 1 73 CYS HB3 1 74 ASP H 2.300 . 3.000 2.982 1.896 3.947 0.947 4 2 "[- +. 1 .]" 1
180 1 74 ASP H 1 74 ASP HB3 2.900 . 4.000 3.126 2.462 3.837 . 0 0 "[ . 1 .]" 1
181 1 74 ASP H 1 74 ASP HB2 2.700 . 3.600 2.967 2.405 3.828 0.228 8 0 "[ . 1 .]" 1
182 1 46 PRO HA 1 47 GLN H 2.100 . 2.600 2.171 2.105 2.288 . 0 0 "[ . 1 .]" 1
183 1 40 ARG HA 1 47 GLN H 2.900 . 6.000 4.207 3.151 5.826 . 0 0 "[ . 1 .]" 1
184 1 47 GLN H 1 47 GLN QG 3.000 . 4.200 2.840 2.183 3.416 . 0 0 "[ . 1 .]" 1
185 1 46 PRO HB3 1 47 GLN H 3.100 . 4.300 4.009 3.490 4.458 0.158 6 0 "[ . 1 .]" 1
186 1 47 GLN H 1 47 GLN HB2 2.200 . 2.800 2.770 2.545 3.763 0.963 13 1 "[ . 1 + .]" 1
187 1 38 LEU MD1 1 47 GLN H 2.700 . 3.600 2.779 2.342 3.112 . 0 0 "[ . 1 .]" 1
188 1 39 VAL MG2 1 47 GLN H 4.400 . 6.000 4.006 3.199 4.940 . 0 0 "[ . 1 .]" 1
189 1 6 PRO HA 1 7 VAL H 2.300 . 3.000 2.500 2.140 3.145 0.145 11 0 "[ . 1 .]" 1
190 1 6 PRO HB3 1 7 VAL H 4.600 . 6.000 4.096 3.305 4.675 . 0 0 "[ . 1 .]" 1
191 1 7 VAL H 1 7 VAL HB 2.800 . 3.800 3.300 2.548 3.976 0.176 12 0 "[ . 1 .]" 1
192 1 6 PRO HB2 1 7 VAL H 3.800 . 5.600 3.757 2.416 4.307 . 0 0 "[ . 1 .]" 1
193 1 7 VAL H 1 7 VAL MG1 3.200 . 4.500 3.020 2.116 3.914 . 0 0 "[ . 1 .]" 1
194 1 7 VAL H 1 55 LEU MD2 5.200 . 6.000 5.161 3.145 6.042 0.042 7 0 "[ . 1 .]" 1
195 1 13 PRO HD2 1 14 LEU H 3.800 . 5.600 5.185 4.304 5.734 0.134 12 0 "[ . 1 .]" 1
196 1 14 LEU H 1 14 LEU QD 3.600 . 5.200 3.218 2.304 3.815 . 0 0 "[ . 1 .]" 1
197 1 14 LEU H 1 14 LEU HA 2.300 . 3.000 2.830 2.358 2.938 . 0 0 "[ . 1 .]" 1
198 1 13 PRO HA 1 14 LEU H 2.200 . 2.800 2.314 2.158 2.644 . 0 0 "[ . 1 .]" 1
199 1 13 PRO HB3 1 14 LEU H 3.800 . 5.600 3.837 3.067 4.585 . 0 0 "[ . 1 .]" 1
200 1 13 PRO HB2 1 14 LEU H 3.200 . 4.500 3.578 2.323 4.325 . 0 0 "[ . 1 .]" 1
201 1 14 LEU H 1 14 LEU HB3 2.800 . 3.800 3.520 2.561 3.774 . 0 0 "[ . 1 .]" 1
202 1 14 LEU H 1 14 LEU HB2 2.800 . 3.700 2.545 2.157 3.052 . 0 0 "[ . 1 .]" 1
203 1 67 PHE HA 1 68 VAL H 2.700 . 3.600 2.993 2.619 3.417 . 0 0 "[ . 1 .]" 1
204 1 65 THR HB 1 68 VAL H 5.100 . 6.000 5.066 2.692 6.079 0.079 14 0 "[ . 1 .]" 1
205 1 67 PHE QB 1 68 VAL H 3.600 . 5.200 3.874 3.386 4.044 . 0 0 "[ . 1 .]" 1
206 1 68 VAL H 1 68 VAL HB 2.700 . 3.600 3.048 2.395 3.651 0.051 9 0 "[ . 1 .]" 1
207 1 68 VAL H 1 68 VAL MG1 2.600 . 3.400 2.567 2.029 3.697 0.297 7 0 "[ . 1 .]" 1
208 1 68 VAL H 1 68 VAL HA 2.700 . 6.000 2.824 2.279 2.937 . 0 0 "[ . 1 .]" 1
209 1 77 LEU HA 1 80 HIS H 3.900 . 5.800 3.544 3.240 3.783 . 0 0 "[ . 1 .]" 1
210 1 18 THR HB 1 80 HIS H 4.700 . 6.000 4.157 3.848 4.741 . 0 0 "[ . 1 .]" 1
211 1 80 HIS H 1 80 HIS HB2 2.400 . 3.100 2.594 2.418 2.868 . 0 0 "[ . 1 .]" 1
212 1 80 HIS H 1 80 HIS HB3 2.400 . 3.100 2.500 2.272 2.696 . 0 0 "[ . 1 .]" 1
213 1 77 LEU HB3 1 80 HIS H 4.100 . 6.000 4.316 3.907 4.571 . 0 0 "[ . 1 .]" 1
214 1 45 HIS H 1 45 HIS HB2 3.000 . 4.100 3.245 2.516 4.061 . 0 0 "[ . 1 .]" 1
215 1 45 HIS H 1 45 HIS HB3 3.300 . 4.600 3.384 2.290 3.848 . 0 0 "[ . 1 .]" 1
216 1 65 THR HB 1 66 GLU H 2.600 . 3.400 2.684 1.771 3.527 0.127 4 0 "[ . 1 .]" 1
217 1 66 GLU H 1 66 GLU QG 3.400 . 4.900 2.932 1.988 4.432 . 0 0 "[ . 1 .]" 1
218 1 66 GLU H 1 66 GLU QB 2.800 . 3.800 2.769 2.298 3.432 . 0 0 "[ . 1 .]" 1
219 1 65 THR MG 1 66 GLU H 4.700 . 6.000 2.786 1.831 3.716 0.169 14 0 "[ . 1 .]" 1
220 1 29 CYS HA 1 30 ARG H 2.400 . 3.100 2.204 2.008 2.400 . 0 0 "[ . 1 .]" 1
221 1 29 CYS QB 1 30 ARG H 2.700 . 3.600 3.052 2.387 3.539 . 0 0 "[ . 1 .]" 1
222 1 30 ARG H 1 30 ARG QB 2.400 . 3.100 2.121 1.877 2.281 . 0 0 "[ . 1 .]" 1
223 1 75 SER HB3 1 76 HIS H 3.300 . 4.600 3.309 2.644 3.938 . 0 0 "[ . 1 .]" 1
224 1 76 HIS H 1 76 HIS QB 2.300 . 3.000 2.522 2.336 2.771 . 0 0 "[ . 1 .]" 1
225 1 15 VAL MG1 1 76 HIS H 3.200 . 4.500 3.041 2.801 3.469 . 0 0 "[ . 1 .]" 1
226 1 60 CYS HA 1 61 ARG H 3.100 . 4.300 3.048 2.363 3.554 . 0 0 "[ . 1 .]" 1
227 1 61 ARG H 1 61 ARG HB3 3.700 . 6.000 3.597 3.052 3.936 . 0 0 "[ . 1 .]" 1
228 1 61 ARG H 1 61 ARG QG 3.500 . 5.100 3.257 2.259 4.466 . 0 0 "[ . 1 .]" 1
229 1 51 GLY HA2 1 52 CYS H 2.900 . 3.900 2.957 2.847 3.280 . 0 0 "[ . 1 .]" 1
230 1 51 GLY HA3 1 52 CYS H 2.500 . 3.300 2.259 2.136 2.329 . 0 0 "[ . 1 .]" 1
231 1 58 GLU H 1 58 GLU HB3 2.900 . 4.000 2.434 2.149 2.673 . 0 0 "[ . 1 .]" 1
232 1 58 GLU H 1 58 GLU HB2 3.900 . 5.800 3.336 2.626 3.609 . 0 0 "[ . 1 .]" 1
233 1 57 ARG HB3 1 58 GLU H 4.500 . 6.000 3.044 2.842 3.495 . 0 0 "[ . 1 .]" 1
234 1 77 LEU HA 1 79 ASN H 3.400 . 4.900 3.671 3.472 4.086 . 0 0 "[ . 1 .]" 1
235 1 34 CYS HB3 1 79 ASN H 2.500 . 3.300 2.831 2.554 3.246 . 0 0 "[ . 1 .]" 1
236 1 79 ASN H 1 79 ASN HB2 3.100 . 4.300 3.214 2.282 3.661 . 0 0 "[ . 1 .]" 1
237 1 43 GLY HA2 1 44 ARG H 2.900 . 4.000 3.391 2.623 3.618 . 0 0 "[ . 1 .]" 1
238 1 44 ARG H 1 44 ARG QD 4.200 . 6.000 3.937 1.919 5.050 0.081 13 0 "[ . 1 .]" 1
239 1 41 GLU QB 1 44 ARG H 5.300 . 6.000 3.867 2.535 4.996 . 0 0 "[ . 1 .]" 1
240 1 44 ARG H 1 44 ARG QB 2.700 . 3.600 2.602 2.129 3.349 . 0 0 "[ . 1 .]" 1
241 1 44 ARG H 1 44 ARG QG 2.900 . 4.000 3.664 2.650 4.111 0.111 9 0 "[ . 1 .]" 1
242 1 65 THR HB 1 67 PHE H 4.700 . 6.000 4.344 2.692 6.029 0.029 7 0 "[ . 1 .]" 1
243 1 67 PHE H 1 67 PHE QB 3.100 . 4.000 2.977 2.424 3.406 . 0 0 "[ . 1 .]" 1
244 1 66 GLU QG 1 67 PHE H 3.700 . 5.400 3.904 2.153 4.474 . 0 0 "[ . 1 .]" 1
245 1 67 PHE H 1 68 VAL MG1 4.100 . 6.000 3.741 2.256 6.041 0.041 7 0 "[ . 1 .]" 1
246 1 67 PHE H 1 67 PHE HA 2.700 . 3.600 2.669 2.214 2.946 . 0 0 "[ . 1 .]" 1
247 1 66 GLU HA 1 67 PHE H 2.600 . 3.500 3.312 2.496 3.585 0.085 2 0 "[ . 1 .]" 1
248 1 66 GLU QB 1 67 PHE H 2.800 . 3.800 2.836 1.937 3.734 . 0 0 "[ . 1 .]" 1
249 1 84 LEU HA 1 85 VAL H 2.800 . 3.800 2.706 2.059 3.474 . 0 0 "[ . 1 .]" 1
250 1 84 LEU QB 1 85 VAL H 3.200 . 4.500 3.670 1.985 4.023 . 0 0 "[ . 1 .]" 1
251 1 38 LEU HB2 1 85 VAL H 4.000 . 6.000 5.001 3.653 5.999 . 0 0 "[ . 1 .]" 1
252 1 85 VAL H 1 85 VAL QG 2.700 . 3.600 2.142 1.769 2.721 0.031 9 0 "[ . 1 .]" 1
253 1 77 LEU QD 1 78 CYS H 4.500 . 6.000 4.074 3.822 4.184 . 0 0 "[ . 1 .]" 1
254 1 76 HIS HA 1 78 CYS H 3.500 . 5.100 3.764 3.411 3.977 . 0 0 "[ . 1 .]" 1
255 1 78 CYS H 1 78 CYS HB3 2.400 . 3.100 2.474 2.339 2.579 . 0 0 "[ . 1 .]" 1
256 1 15 VAL QG 1 34 CYS H 3.800 . 5.600 3.048 2.701 3.498 . 0 0 "[ . 1 .]" 1
257 1 33 TRP HA 1 34 CYS H 2.800 . 3.800 2.612 2.519 2.677 . 0 0 "[ . 1 .]" 1
258 1 33 TRP HB2 1 34 CYS H 2.200 . 2.800 2.081 1.956 2.214 . 0 0 "[ . 1 .]" 1
259 1 34 CYS H 1 34 CYS QB 2.600 . 3.400 2.409 2.320 2.471 . 0 0 "[ . 1 .]" 1
260 1 92 PRO HA 1 93 SER H 2.300 . 3.000 2.358 2.131 3.083 0.083 14 0 "[ . 1 .]" 1
261 1 92 PRO QB 1 93 SER H 6.000 . 6.000 2.831 1.384 3.716 . 0 0 "[ . 1 .]" 1
262 1 93 SER H 1 94 GLU HA 3.500 . 6.000 5.048 4.100 6.053 0.053 5 0 "[ . 1 .]" 1
263 1 81 ASN HA 1 93 SER H 4.800 . 6.000 5.598 4.355 6.076 0.076 14 0 "[ . 1 .]" 1
264 1 72 CYS HA 1 73 CYS H 2.300 . 2.900 2.209 2.111 2.405 . 0 0 "[ . 1 .]" 1
265 1 72 CYS HB2 1 73 CYS H 3.500 . 5.000 3.373 2.827 4.000 . 0 0 "[ . 1 .]" 1
266 1 33 TRP HB2 1 73 CYS H 3.600 . 5.200 3.334 2.770 3.763 . 0 0 "[ . 1 .]" 1
267 1 72 CYS HB3 1 73 CYS H 3.200 . 4.400 3.301 2.702 3.945 . 0 0 "[ . 1 .]" 1
268 1 7 VAL HB 1 10 SER H 5.300 . 6.000 5.729 4.687 6.039 0.039 3 0 "[ . 1 .]" 1
269 1 10 SER H 1 55 LEU HA 4.600 . 6.000 4.896 3.088 6.017 0.017 2 0 "[ . 1 .]" 1
270 1 8 LYS HA 1 10 SER H 3.800 . 6.000 4.635 2.974 5.858 . 0 0 "[ . 1 .]" 1
271 1 10 SER H 1 10 SER QB 3.000 . 6.000 3.146 2.500 3.481 . 0 0 "[ . 1 .]" 1
272 1 9 PRO HB3 1 10 SER H 4.400 . 6.000 4.305 3.746 4.649 . 0 0 "[ . 1 .]" 1
273 1 9 PRO HB2 1 10 SER H 3.600 . 5.300 4.123 3.791 4.329 . 0 0 "[ . 1 .]" 1
274 1 53 GLY HA3 1 54 ASN H 3.200 . 4.500 3.079 2.643 3.480 . 0 0 "[ . 1 .]" 1
275 1 28 THR HA 1 29 CYS H 2.400 . 3.100 2.393 2.140 2.675 . 0 0 "[ . 1 .]" 1
276 1 29 CYS H 1 29 CYS HA 3.000 . 4.100 2.881 2.757 2.925 . 0 0 "[ . 1 .]" 1
277 1 28 THR HB 1 29 CYS H 2.500 . 3.300 2.544 2.023 3.131 . 0 0 "[ . 1 .]" 1
278 1 29 CYS H 1 29 CYS QB 6.000 . 6.000 3.054 2.713 3.289 . 0 0 "[ . 1 .]" 1
279 1 16 THR MG 1 29 CYS H 3.300 . 4.600 2.741 2.335 3.030 . 0 0 "[ . 1 .]" 1
280 1 28 THR MG 1 29 CYS H 3.800 . 5.600 3.471 3.091 3.721 . 0 0 "[ . 1 .]" 1
281 1 60 CYS H 1 60 CYS QB 2.500 . 3.300 2.581 2.308 2.957 . 0 0 "[ . 1 .]" 1
282 1 59 LEU HB2 1 60 CYS H 3.500 . 5.000 3.769 3.364 4.366 . 0 0 "[ . 1 .]" 1
283 1 36 VAL HA 1 51 GLY H 4.300 . 6.000 3.301 2.946 3.749 . 0 0 "[ . 1 .]" 1
284 1 51 GLY H 1 51 GLY HA2 2.900 . 3.900 2.758 2.680 2.869 . 0 0 "[ . 1 .]" 1
285 1 50 ARG QB 1 51 GLY H 3.000 . 4.100 2.772 2.526 3.010 . 0 0 "[ . 1 .]" 1
286 1 50 ARG HA 1 51 GLY H 2.300 . 2.900 2.350 2.255 2.446 . 0 0 "[ . 1 .]" 1
287 1 73 CYS HA 1 75 SER H 4.700 . 6.000 4.380 3.879 5.171 . 0 0 "[ . 1 .]" 1
288 1 74 ASP HA 1 75 SER H 2.800 . 3.800 2.942 2.412 3.427 . 0 0 "[ . 1 .]" 1
289 1 75 SER H 1 75 SER HA 2.700 . 3.600 2.900 2.762 2.943 . 0 0 "[ . 1 .]" 1
290 1 75 SER H 1 75 SER HB2 3.000 . 4.200 3.233 2.707 4.064 . 0 0 "[ . 1 .]" 1
291 1 75 SER H 1 78 CYS HB2 2.900 . 4.000 3.362 3.125 3.754 . 0 0 "[ . 1 .]" 1
292 1 74 ASP HB3 1 75 SER H 4.400 . 6.000 4.234 3.363 4.652 . 0 0 "[ . 1 .]" 1
293 1 74 ASP HB2 1 75 SER H 4.300 . 6.000 4.347 3.751 4.633 . 0 0 "[ . 1 .]" 1
294 1 88 ALA HA 1 89 THR H 2.300 . 3.000 2.511 2.075 3.092 0.092 2 0 "[ . 1 .]" 1
295 1 89 THR H 1 89 THR HB 3.200 . 4.400 3.238 2.640 3.758 . 0 0 "[ . 1 .]" 1
296 1 88 ALA MB 1 89 THR H 3.300 . 4.700 2.920 1.874 3.713 0.026 13 0 "[ . 1 .]" 1
297 1 89 THR H 1 89 THR MG 3.400 . 4.900 3.147 2.027 4.063 . 0 0 "[ . 1 .]" 1
298 1 97 GLY HA3 1 98 THR H 3.100 . 4.300 2.881 2.314 3.534 . 0 0 "[ . 1 .]" 1
299 1 97 GLY HA2 1 98 THR H 3.100 . 4.300 2.791 2.122 3.555 . 0 0 "[ . 1 .]" 1
300 1 33 TRP H 1 52 CYS HA 4.000 . 6.000 3.618 3.412 3.794 . 0 0 "[ . 1 .]" 1
301 1 33 TRP H 1 33 TRP HA 2.900 . 4.000 2.790 2.768 2.811 . 0 0 "[ . 1 .]" 1
302 1 33 TRP H 1 33 TRP HB3 4.200 . 6.000 3.635 3.547 3.702 . 0 0 "[ . 1 .]" 1
303 1 32 ALA MB 1 33 TRP H 2.600 . 3.500 2.559 2.380 2.769 . 0 0 "[ . 1 .]" 1
304 1 15 VAL QG 1 33 TRP H 4.100 . 6.000 3.629 3.115 4.017 . 0 0 "[ . 1 .]" 1
305 1 47 GLN HE21 1 47 GLN QG 4.100 . 6.000 2.425 2.135 2.837 . 0 0 "[ . 1 .]" 1
306 1 52 CYS HB2 1 53 GLY H 3.300 . 4.700 3.395 3.151 3.791 . 0 0 "[ . 1 .]" 1
307 1 52 CYS HA 1 53 GLY H 2.200 . 2.800 2.188 2.140 2.233 . 0 0 "[ . 1 .]" 1
308 1 35 THR MG 1 53 GLY H 3.300 . 4.700 3.094 2.102 3.799 . 0 0 "[ . 1 .]" 1
309 1 43 GLY H 1 43 GLY HA3 2.800 . 3.800 2.899 2.771 2.949 . 0 0 "[ . 1 .]" 1
310 1 42 GLU QG 1 43 GLY H 4.000 . 6.000 3.975 3.333 4.700 . 0 0 "[ . 1 .]" 1
311 1 42 GLU QB 1 43 GLY H 3.600 . 5.200 3.955 3.627 4.039 . 0 0 "[ . 1 .]" 1
312 1 30 ARG HA 1 31 GLY H 2.100 . 2.700 2.157 2.061 2.448 . 0 0 "[ . 1 .]" 1
313 1 16 THR HA 1 31 GLY H 4.300 . 6.000 3.420 2.916 4.088 . 0 0 "[ . 1 .]" 1
314 1 14 LEU HA 1 31 GLY H 4.200 . 6.000 3.777 2.896 4.527 . 0 0 "[ . 1 .]" 1
315 1 31 GLY H 1 31 GLY QA 2.600 . 3.500 2.401 2.272 2.500 . 0 0 "[ . 1 .]" 1
316 1 14 LEU HB2 1 31 GLY H 2.900 . 6.000 5.791 5.019 6.548 0.548 15 1 "[ . 1 +]" 1
317 1 14 LEU QD 1 31 GLY H 3.700 . 5.400 3.698 2.974 4.378 . 0 0 "[ . 1 .]" 1
318 1 65 THR H 1 65 THR MG 3.600 . 5.300 3.258 2.420 3.982 . 0 0 "[ . 1 .]" 1
319 1 34 CYS HA 1 35 THR H 2.200 . 2.800 2.156 2.102 2.211 . 0 0 "[ . 1 .]" 1
320 1 35 THR H 1 52 CYS HA 3.100 . 4.300 3.038 2.361 3.517 . 0 0 "[ . 1 .]" 1
321 1 34 CYS HB3 1 35 THR H 3.100 . 4.300 3.413 3.014 3.623 . 0 0 "[ . 1 .]" 1
322 1 35 THR H 1 35 THR MG 3.000 . 4.200 3.116 2.759 3.382 . 0 0 "[ . 1 .]" 1
323 1 11 ARG HA 1 12 GLY H 2.500 . 3.300 2.844 2.112 3.445 0.145 1 0 "[ . 1 .]" 1
324 1 12 GLY H 1 12 GLY HA3 2.800 . 3.800 2.754 2.306 2.956 . 0 0 "[ . 1 .]" 1
325 1 12 GLY H 1 13 PRO QD 4.900 . 6.000 3.439 1.891 4.382 0.009 12 0 "[ . 1 .]" 1
326 1 11 ARG HG2 1 12 GLY H 4.700 . 6.000 4.676 3.697 5.878 . 0 0 "[ . 1 .]" 1
327 1 12 GLY H 1 12 GLY HA2 3.000 . 4.100 2.698 2.343 2.951 . 0 0 "[ . 1 .]" 1
328 1 8 LYS QB 1 12 GLY H 2.900 . 6.000 4.397 1.845 5.791 . 0 0 "[ . 1 .]" 1
329 1 96 PRO HB3 1 97 GLY H 5.700 . 6.000 4.025 3.060 4.681 . 0 0 "[ . 1 .]" 1
330 1 96 PRO HA 1 97 GLY H 2.500 . 3.300 2.772 2.191 3.474 0.174 14 0 "[ . 1 .]" 1
331 1 97 GLY H 1 97 GLY HA3 2.800 . 3.800 2.688 2.304 2.943 . 0 0 "[ . 1 .]" 1
332 1 97 GLY H 1 97 GLY HA2 2.900 . 4.000 2.671 2.303 2.940 . 0 0 "[ . 1 .]" 1
333 1 99 ASP HA 1 100 GLY H 3.800 . 5.600 2.888 2.130 3.601 . 0 0 "[ . 1 .]" 1
334 1 25 LYS HA 1 26 GLY H 2.600 . 3.400 2.983 2.665 3.424 0.024 2 0 "[ . 1 .]" 1
335 1 26 GLY H 1 26 GLY HA2 2.200 . 2.800 2.733 2.534 2.890 0.090 14 0 "[ . 1 .]" 1
336 1 26 GLY H 1 27 PRO HD2 3.200 . 4.500 2.934 1.978 4.149 . 0 0 "[ . 1 .]" 1
337 1 26 GLY H 1 27 PRO HD3 2.600 . 3.500 3.049 1.860 3.453 . 0 0 "[ . 1 .]" 1
338 1 24 CYS QB 1 26 GLY H 2.700 . 3.600 2.646 2.175 3.653 0.053 13 0 "[ . 1 .]" 1
339 1 25 LYS HB2 1 26 GLY H 3.600 . 5.200 4.258 3.538 4.744 . 0 0 "[ . 1 .]" 1
340 1 19 CYS QB 1 28 THR H 3.900 . 5.800 3.384 2.633 4.011 . 0 0 "[ . 1 .]" 1
341 1 27 PRO HA 1 28 THR H 3.800 . 5.600 3.447 3.367 3.552 . 0 0 "[ . 1 .]" 1
342 1 27 PRO HD3 1 28 THR H 4.100 . 6.000 4.291 3.680 4.682 . 0 0 "[ . 1 .]" 1
343 1 27 PRO QB 1 28 THR H 2.600 . 3.400 2.224 1.692 3.353 0.308 3 0 "[ . 1 .]" 1
344 1 27 PRO QG 1 28 THR H 2.900 . 6.000 2.690 1.738 4.587 . 0 0 "[ . 1 .]" 1
345 1 28 THR H 1 28 THR MG 2.900 . 4.000 3.356 3.113 3.625 . 0 0 "[ . 1 .]" 1
346 1 61 ARG HA 1 62 GLY H 2.600 . 3.500 2.635 2.102 3.529 0.029 10 0 "[ . 1 .]" 1
347 1 62 GLY H 1 62 GLY HA3 2.800 . 3.800 2.703 2.311 2.954 . 0 0 "[ . 1 .]" 1
348 1 62 GLY H 1 62 GLY HA2 2.800 . 3.800 2.733 2.307 2.960 . 0 0 "[ . 1 .]" 1
349 1 61 ARG HB2 1 62 GLY H 3.700 . 5.400 3.618 1.875 4.593 0.125 4 0 "[ . 1 .]" 1
350 1 28 THR H 1 28 THR HA 2.700 . 3.600 2.904 2.883 2.927 . 0 0 "[ . 1 .]" 1
351 1 28 THR H 1 28 THR HB 2.900 . 3.900 3.817 3.661 3.935 0.035 2 0 "[ . 1 .]" 1
352 1 20 GLU H 1 21 SER H 4.200 . 6.000 3.527 3.310 4.008 . 0 0 "[ . 1 .]" 1
353 1 71 TYR H 1 71 TYR QD 4.400 . 6.000 4.252 4.200 4.314 . 0 0 "[ . 1 .]" 1
354 1 76 HIS H 1 77 LEU H 4.700 . 6.000 4.561 4.507 4.597 . 0 0 "[ . 1 .]" 1
355 1 36 VAL H 1 71 TYR QD 3.800 . 5.600 3.842 3.618 3.978 . 0 0 "[ . 1 .]" 1
356 1 30 ARG H 1 31 GLY H 4.100 . 6.000 4.370 4.014 4.584 . 0 0 "[ . 1 .]" 1
357 1 23 HIS HE1 1 35 THR H 3.000 . 4.200 3.405 3.059 3.727 . 0 0 "[ . 1 .]" 1
358 1 20 GLU H 1 50 ARG H 2.900 . 4.000 2.729 2.338 3.061 . 0 0 "[ . 1 .]" 1
359 1 15 VAL H 1 31 GLY H 2.600 . 3.400 2.771 2.250 3.418 0.018 3 0 "[ . 1 .]" 1
360 1 58 GLU H 1 60 CYS H 4.000 . 6.000 4.301 3.993 4.632 . 0 0 "[ . 1 .]" 1
361 1 15 VAL H 1 30 ARG HA 4.200 . 6.000 4.091 3.397 4.548 . 0 0 "[ . 1 .]" 1
362 1 15 VAL H 1 31 GLY QA 5.600 . 6.000 3.846 3.621 4.256 . 0 0 "[ . 1 .]" 1
363 1 15 VAL H 1 30 ARG QD 5.600 . 6.000 5.657 5.306 6.028 0.028 6 0 "[ . 1 .]" 1
364 1 15 VAL H 1 32 ALA H 4.400 . 6.000 4.002 3.555 4.812 . 0 0 "[ . 1 .]" 1
365 1 16 THR H 1 77 LEU H 4.000 . 6.000 4.520 4.072 4.881 . 0 0 "[ . 1 .]" 1
366 1 16 THR H 1 30 ARG HA 4.900 . 6.000 3.725 3.478 3.939 . 0 0 "[ . 1 .]" 1
367 1 16 THR H 1 76 HIS QB 3.500 . 5.000 2.770 2.310 3.596 . 0 0 "[ . 1 .]" 1
368 1 16 THR H 1 77 LEU QD 5.300 . 6.000 4.468 3.628 4.711 . 0 0 "[ . 1 .]" 1
369 1 17 CYS H 1 28 THR HA 4.300 . 6.000 4.488 4.152 4.723 . 0 0 "[ . 1 .]" 1
370 1 17 CYS H 1 77 LEU QD 4.300 . 6.000 3.837 3.645 4.018 . 0 0 "[ . 1 .]" 1
371 1 15 VAL QG 1 17 CYS H 5.200 . 6.000 4.163 3.717 4.353 . 0 0 "[ . 1 .]" 1
372 1 17 CYS H 1 28 THR MG 4.400 . 6.000 4.424 4.020 4.684 . 0 0 "[ . 1 .]" 1
373 1 16 THR HB 1 17 CYS H 4.700 . 6.000 4.112 3.966 4.210 . 0 0 "[ . 1 .]" 1
374 1 18 THR H 1 77 LEU H 4.700 . 6.000 4.400 3.931 4.800 . 0 0 "[ . 1 .]" 1
375 1 18 THR H 1 80 HIS HA 4.300 . 6.000 4.196 3.316 4.953 . 0 0 "[ . 1 .]" 1
376 1 18 THR H 1 50 ARG QB 4.800 . 6.000 5.213 4.343 5.689 . 0 0 "[ . 1 .]" 1
377 1 18 THR H 1 77 LEU QB 5.100 . 6.000 4.476 4.112 5.015 . 0 0 "[ . 1 .]" 1
378 1 18 THR H 1 80 HIS HB2 2.900 . 4.000 3.374 2.981 3.819 . 0 0 "[ . 1 .]" 1
379 1 17 CYS H 1 18 THR H 4.500 . 6.000 4.341 4.244 4.384 . 0 0 "[ . 1 .]" 1
380 1 19 CYS H 1 77 LEU QD 3.900 . 5.800 5.643 5.374 5.753 . 0 0 "[ . 1 .]" 1
381 1 19 CYS H 1 27 PRO QB 5.000 . 6.000 4.842 3.542 5.792 . 0 0 "[ . 1 .]" 1
382 1 19 CYS H 1 50 ARG QB 4.900 . 6.000 5.654 4.711 6.049 0.049 9 0 "[ . 1 .]" 1
383 1 18 THR HB 1 19 CYS H 4.000 . 6.000 4.178 3.834 4.479 . 0 0 "[ . 1 .]" 1
384 1 19 CYS H 1 28 THR HB 4.300 . 6.000 4.896 4.008 5.716 . 0 0 "[ . 1 .]" 1
385 1 19 CYS H 1 29 CYS H 4.000 . 6.000 4.693 3.273 5.357 . 0 0 "[ . 1 .]" 1
386 1 19 CYS H 1 20 GLU H 4.100 . 6.000 4.321 3.604 4.589 . 0 0 "[ . 1 .]" 1
387 1 28 THR H 1 29 CYS H 3.800 . 5.600 4.353 4.242 4.418 . 0 0 "[ . 1 .]" 1
388 1 19 CYS H 1 28 THR H 3.500 . 5.000 4.638 4.176 5.190 0.190 6 0 "[ . 1 .]" 1
389 1 17 CYS H 1 29 CYS H 2.900 . 4.000 2.839 2.533 3.094 . 0 0 "[ . 1 .]" 1
390 1 18 THR HA 1 29 CYS H 4.200 . 6.000 4.830 4.467 5.194 . 0 0 "[ . 1 .]" 1
391 1 17 CYS HB3 1 29 CYS H 4.800 . 6.000 5.591 4.688 6.230 0.230 12 0 "[ . 1 .]" 1
392 1 17 CYS H 1 30 ARG H 5.500 . 6.000 5.208 4.599 5.742 . 0 0 "[ . 1 .]" 1
393 1 16 THR HB 1 30 ARG H 4.800 . 6.000 6.073 6.018 6.113 0.113 1 0 "[ . 1 .]" 1
394 1 30 ARG H 1 30 ARG QD 4.500 . 6.000 4.108 3.759 4.752 . 0 0 "[ . 1 .]" 1
395 1 31 GLY H 1 52 CYS HB2 3.800 . 5.600 2.818 1.928 3.939 0.072 3 0 "[ . 1 .]" 1
396 1 15 VAL HB 1 31 GLY H 5.000 . 6.000 3.962 3.374 5.352 . 0 0 "[ . 1 .]" 1
397 1 30 ARG QD 1 31 GLY H 2.900 . 6.000 5.248 4.613 5.928 . 0 0 "[ . 1 .]" 1
398 1 33 TRP H 1 33 TRP HE1 6.000 . 6.000 4.637 4.512 4.779 . 0 0 "[ . 1 .]" 1
399 1 33 TRP H 1 34 CYS H 3.800 . 5.600 4.285 4.266 4.331 . 0 0 "[ . 1 .]" 1
400 1 33 TRP H 1 53 GLY H 2.800 . 3.800 2.926 2.582 3.333 . 0 0 "[ . 1 .]" 1
401 1 33 TRP H 1 34 CYS HA 4.800 . 6.000 4.494 4.401 4.577 . 0 0 "[ . 1 .]" 1
402 1 33 TRP H 1 52 CYS HB3 4.300 . 6.000 4.550 3.978 5.163 . 0 0 "[ . 1 .]" 1
403 1 33 TRP H 1 52 CYS HB2 4.400 . 6.000 3.468 3.005 3.991 . 0 0 "[ . 1 .]" 1
404 1 33 TRP H 1 53 GLY HA3 5.000 . 6.000 4.397 3.771 5.024 . 0 0 "[ . 1 .]" 1
405 1 33 TRP H 1 35 THR MG 4.900 . 6.000 4.679 4.321 5.127 . 0 0 "[ . 1 .]" 1
406 1 33 TRP HD1 1 34 CYS H 4.700 . 6.000 3.855 3.685 4.246 . 0 0 "[ . 1 .]" 1
407 1 34 CYS H 1 53 GLY H 5.700 . 6.000 4.790 4.651 5.001 . 0 0 "[ . 1 .]" 1
408 1 34 CYS H 1 72 CYS HB3 3.900 . 5.800 5.124 4.467 5.902 0.102 14 0 "[ . 1 .]" 1
409 1 34 CYS H 1 72 CYS HB2 5.600 . 6.000 5.463 4.537 6.028 0.028 4 0 "[ . 1 .]" 1
410 1 34 CYS H 1 35 THR MG 5.200 . 6.000 4.350 3.974 4.562 . 0 0 "[ . 1 .]" 1
411 1 34 CYS H 1 73 CYS HA 3.500 . 5.000 4.764 4.610 4.933 . 0 0 "[ . 1 .]" 1
412 1 34 CYS H 1 72 CYS HA 4.200 . 6.000 4.605 4.307 4.857 . 0 0 "[ . 1 .]" 1
413 1 34 CYS H 1 35 THR H 4.400 . 6.000 4.402 4.282 4.488 . 0 0 "[ . 1 .]" 1
414 1 33 TRP HE1 1 34 CYS H 6.000 . 6.000 6.031 5.948 6.079 0.079 3 0 "[ . 1 .]" 1
415 1 35 THR H 1 36 VAL MG1 3.600 . 5.300 4.159 3.745 4.662 . 0 0 "[ . 1 .]" 1
416 1 35 THR H 1 50 ARG QB 4.600 . 6.000 5.244 4.744 5.803 . 0 0 "[ . 1 .]" 1
417 1 17 CYS HB3 1 35 THR H 3.700 . 5.400 4.552 4.152 4.928 . 0 0 "[ . 1 .]" 1
418 1 35 THR H 1 51 GLY HA2 5.000 . 6.000 4.508 4.245 4.812 . 0 0 "[ . 1 .]" 1
419 1 35 THR H 1 35 THR HB 3.900 . 5.800 3.725 3.579 3.832 . 0 0 "[ . 1 .]" 1
420 1 33 TRP HA 1 35 THR H 6.000 . 6.000 5.961 5.782 6.109 0.109 7 0 "[ . 1 .]" 1
421 1 35 THR H 1 36 VAL HA 4.100 . 6.000 4.794 4.637 4.984 . 0 0 "[ . 1 .]" 1
422 1 23 HIS HD2 1 35 THR H 4.700 . 6.000 6.014 5.188 6.122 0.122 15 0 "[ . 1 .]" 1
423 1 35 THR H 1 52 CYS H 3.900 . 5.800 4.487 3.747 4.785 . 0 0 "[ . 1 .]" 1
424 1 35 THR H 1 79 ASN H 4.900 . 6.000 6.013 5.818 6.101 0.101 3 0 "[ . 1 .]" 1
425 1 35 THR H 1 53 GLY H 3.500 . 5.000 3.284 2.810 3.893 . 0 0 "[ . 1 .]" 1
426 1 33 TRP HE1 1 35 THR H 6.000 . 6.000 5.742 5.391 6.019 0.019 5 0 "[ . 1 .]" 1
427 1 36 VAL H 1 36 VAL MG2 3.200 . 4.500 2.175 1.960 2.409 . 0 0 "[ . 1 .]" 1
428 1 36 VAL H 1 36 VAL HA 2.900 . 4.000 2.941 2.936 2.947 . 0 0 "[ . 1 .]" 1
429 1 36 VAL H 1 70 HIS HA 4.300 . 6.000 4.186 3.828 4.643 . 0 0 "[ . 1 .]" 1
430 1 36 VAL H 1 82 VAL MG2 6.000 . 6.000 4.563 4.098 4.915 . 0 0 "[ . 1 .]" 1
431 1 37 VAL H 1 82 VAL MG2 6.000 . 6.000 5.925 5.417 6.121 0.121 2 0 "[ . 1 .]" 1
432 1 37 VAL H 1 84 LEU QD 4.100 . 4.900 2.405 1.938 2.852 0.062 5 0 "[ . 1 .]" 1
433 1 37 VAL H 1 49 HIS QB 3.400 . 4.800 3.933 3.533 4.345 . 0 0 "[ . 1 .]" 1
434 1 35 THR HB 1 37 VAL H 4.800 . 6.000 5.850 5.573 6.007 0.007 14 0 "[ . 1 .]" 1
435 1 37 VAL H 1 38 LEU HA 2.800 . 6.000 4.512 4.223 4.666 . 0 0 "[ . 1 .]" 1
436 1 37 VAL H 1 49 HIS HA 3.900 . 5.800 4.878 4.705 5.064 . 0 0 "[ . 1 .]" 1
437 1 37 VAL H 1 69 ASN QD 6.000 . 6.000 5.709 5.363 5.964 . 0 0 "[ . 1 .]" 1
438 1 37 VAL H 1 38 LEU H 3.800 . 5.600 3.857 3.528 4.057 . 0 0 "[ . 1 .]" 1
439 1 36 VAL H 1 37 VAL H 3.800 . 5.600 4.481 4.436 4.524 . 0 0 "[ . 1 .]" 1
440 1 37 VAL H 1 49 HIS H 2.800 . 3.800 3.311 3.088 3.585 . 0 0 "[ . 1 .]" 1
441 1 38 LEU H 1 39 VAL H 4.100 . 6.000 4.355 4.152 4.517 . 0 0 "[ . 1 .]" 1
442 1 38 LEU H 1 69 ASN QB 3.500 . 5.000 2.803 1.788 4.103 0.212 6 0 "[ . 1 .]" 1
443 1 37 VAL HB 1 38 LEU H 3.400 . 4.800 3.791 3.594 3.982 . 0 0 "[ . 1 .]" 1
444 1 36 VAL MG2 1 38 LEU H 5.500 . 6.000 4.305 3.944 4.849 . 0 0 "[ . 1 .]" 1
445 1 38 LEU H 1 84 LEU QD 4.000 . 5.000 2.256 1.950 2.668 0.050 10 0 "[ . 1 .]" 1
446 1 37 VAL QG 1 39 VAL H 4.200 . 6.000 4.761 4.352 5.104 . 0 0 "[ . 1 .]" 1
447 1 39 VAL H 1 47 GLN QG 6.000 . 6.000 4.777 2.689 5.352 . 0 0 "[ . 1 .]" 1
448 1 39 VAL H 1 46 PRO HA 3.900 . 5.800 4.285 3.364 5.144 . 0 0 "[ . 1 .]" 1
449 1 39 VAL H 1 40 ARG HA 3.900 . 5.800 5.031 4.796 5.250 . 0 0 "[ . 1 .]" 1
450 1 39 VAL H 1 40 ARG H 4.400 . 6.000 4.254 3.998 4.498 . 0 0 "[ . 1 .]" 1
451 1 40 ARG H 1 68 VAL MG2 5.300 . 6.000 4.547 2.106 5.619 . 0 0 "[ . 1 .]" 1
452 1 40 ARG H 1 40 ARG QD 4.300 . 6.000 3.677 1.957 4.306 0.043 14 0 "[ . 1 .]" 1
453 1 40 ARG H 1 41 GLU H 3.900 . 5.800 4.028 2.811 4.637 . 0 0 "[ . 1 .]" 1
454 1 40 ARG H 1 46 PRO HA 3.600 . 5.200 4.555 3.568 5.134 . 0 0 "[ . 1 .]" 1
455 1 39 VAL MG2 1 48 GLU H 5.200 . 6.000 5.734 5.216 6.041 0.041 2 0 "[ . 1 .]" 1
456 1 48 GLU H 1 49 HIS HA 5.500 . 6.000 5.171 5.061 5.309 . 0 0 "[ . 1 .]" 1
457 1 38 LEU HA 1 48 GLU H 3.800 . 5.600 4.525 3.999 4.910 . 0 0 "[ . 1 .]" 1
458 1 48 GLU H 1 49 HIS HD2 6.000 . 6.000 4.176 3.698 4.612 . 0 0 "[ . 1 .]" 1
459 1 48 GLU H 1 49 HIS H 3.500 . 5.100 4.264 4.125 4.464 . 0 0 "[ . 1 .]" 1
460 1 36 VAL MG2 1 49 HIS H 4.100 . 6.000 5.883 5.638 6.033 0.033 9 0 "[ . 1 .]" 1
461 1 49 HIS H 1 50 ARG HA 2.600 . 6.000 4.950 4.796 5.190 . 0 0 "[ . 1 .]" 1
462 1 47 GLN HA 1 49 HIS H 4.700 . 6.000 5.482 5.215 5.868 . 0 0 "[ . 1 .]" 1
463 1 49 HIS H 1 49 HIS HD2 3.800 . 5.600 3.666 3.007 3.984 . 0 0 "[ . 1 .]" 1
464 1 47 GLN H 1 49 HIS H 4.000 . 6.000 5.593 5.195 5.891 . 0 0 "[ . 1 .]" 1
465 1 38 LEU H 1 49 HIS H 5.600 . 6.000 4.684 4.064 5.055 . 0 0 "[ . 1 .]" 1
466 1 49 HIS H 1 50 ARG H 3.600 . 5.200 4.321 4.141 4.552 . 0 0 "[ . 1 .]" 1
467 1 51 GLY H 1 84 LEU QD 6.000 . 6.000 5.572 5.034 5.891 . 0 0 "[ . 1 .]" 1
468 1 36 VAL MG2 1 51 GLY H 5.900 . 6.000 5.311 4.954 5.767 . 0 0 "[ . 1 .]" 1
469 1 35 THR MG 1 51 GLY H 4.200 . 6.000 5.441 5.171 5.617 . 0 0 "[ . 1 .]" 1
470 1 36 VAL MG1 1 51 GLY H 3.900 . 5.800 3.165 2.785 3.719 . 0 0 "[ . 1 .]" 1
471 1 50 ARG QG 1 51 GLY H 4.100 . 6.000 4.203 3.662 4.548 . 0 0 "[ . 1 .]" 1
472 1 35 THR H 1 51 GLY H 3.000 . 4.100 3.145 2.687 3.639 . 0 0 "[ . 1 .]" 1
473 1 51 GLY H 1 53 GLY H 3.700 . 6.000 5.855 5.599 6.021 0.021 8 0 "[ . 1 .]" 1
474 1 19 CYS HA 1 52 CYS H 4.900 . 6.000 4.556 3.834 4.867 . 0 0 "[ . 1 .]" 1
475 1 22 PRO HG2 1 52 CYS H 4.200 . 6.000 4.337 3.702 4.808 . 0 0 "[ . 1 .]" 1
476 1 32 ALA H 1 52 CYS H 6.000 . 6.000 6.118 6.032 6.195 0.195 8 0 "[ . 1 .]" 1
477 1 23 HIS HD2 1 53 GLY H 4.900 . 6.000 5.567 3.659 6.057 0.057 14 0 "[ . 1 .]" 1
478 1 52 CYS H 1 53 GLY H 4.100 . 6.000 4.406 4.101 4.510 . 0 0 "[ . 1 .]" 1
479 1 53 GLY H 1 54 ASN H 3.500 . 5.000 3.138 2.255 4.555 . 0 0 "[ . 1 .]" 1
480 1 31 GLY QA 1 53 GLY H 4.100 . 6.000 4.228 4.040 4.361 . 0 0 "[ . 1 .]" 1
481 1 67 PHE H 1 67 PHE QD 3.100 . 4.300 2.821 1.860 3.945 0.040 6 0 "[ . 1 .]" 1
482 1 66 GLU H 1 67 PHE H 3.000 . 4.200 2.649 1.891 4.169 . 0 0 "[ . 1 .]" 1
483 1 67 PHE H 1 68 VAL H 2.500 . 3.300 2.449 1.636 3.061 0.064 9 0 "[ . 1 .]" 1
484 1 67 PHE H 1 86 LEU QD 4.900 . 6.000 4.929 2.944 5.969 . 0 0 "[ . 1 .]" 1
485 1 65 THR MG 1 67 PHE H 3.200 . 4.500 3.881 2.079 4.780 0.280 7 0 "[ . 1 .]" 1
486 1 67 PHE H 1 68 VAL HB 4.300 . 6.000 4.708 4.081 5.125 . 0 0 "[ . 1 .]" 1
487 1 68 VAL H 1 69 ASN H 3.800 . 5.600 4.208 2.789 4.649 . 0 0 "[ . 1 .]" 1
488 1 69 ASN H 1 70 HIS H 2.900 . 4.000 3.612 3.096 4.104 0.104 1 0 "[ . 1 .]" 1
489 1 38 LEU HB2 1 69 ASN H 5.700 . 6.000 5.027 4.121 6.009 0.009 7 0 "[ . 1 .]" 1
490 1 69 ASN H 1 86 LEU QD 3.700 . 5.400 4.260 3.197 5.398 . 0 0 "[ . 1 .]" 1
491 1 38 LEU HB3 1 69 ASN H 5.000 . 6.000 3.683 2.959 4.437 . 0 0 "[ . 1 .]" 1
492 1 69 ASN H 1 70 HIS QB 5.800 . 6.000 4.956 4.516 5.384 . 0 0 "[ . 1 .]" 1
493 1 39 VAL MG2 1 69 ASN H 4.100 . 6.000 5.307 4.623 6.042 0.042 1 0 "[ . 1 .]" 1
494 1 38 LEU H 1 71 TYR H 3.000 . 6.000 5.215 4.808 5.555 . 0 0 "[ . 1 .]" 1
495 1 35 THR HA 1 71 TYR H 4.500 . 6.000 4.399 4.179 4.585 . 0 0 "[ . 1 .]" 1
496 1 35 THR HB 1 71 TYR H 4.300 . 6.000 4.688 4.498 4.992 . 0 0 "[ . 1 .]" 1
497 1 36 VAL MG1 1 71 TYR H 4.600 . 6.000 4.457 4.035 4.827 . 0 0 "[ . 1 .]" 1
498 1 35 THR MG 1 71 TYR H 4.600 . 6.000 4.877 4.190 5.330 . 0 0 "[ . 1 .]" 1
499 1 71 TYR H 1 84 LEU HG 4.900 . 6.000 5.738 3.824 6.125 0.125 6 0 "[ . 1 .]" 1
500 1 37 VAL HB 1 71 TYR H 4.300 . 6.000 6.040 5.798 6.100 0.100 11 0 "[ . 1 .]" 1
501 1 71 TYR QD 1 72 CYS H 3.200 . 4.500 3.268 2.937 3.766 . 0 0 "[ . 1 .]" 1
502 1 71 TYR QE 1 72 CYS H 4.200 . 6.000 4.134 3.753 4.902 . 0 0 "[ . 1 .]" 1
503 1 71 TYR QE 1 73 CYS H 4.200 . 6.000 4.837 4.291 5.268 . 0 0 "[ . 1 .]" 1
504 1 73 CYS H 1 74 ASP HA 4.100 . 6.000 4.771 4.393 5.220 . 0 0 "[ . 1 .]" 1
505 1 35 THR MG 1 73 CYS H 4.200 . 6.000 3.779 3.635 4.152 . 0 0 "[ . 1 .]" 1
506 1 34 CYS H 1 73 CYS H 2.800 . 3.700 2.892 2.656 3.091 . 0 0 "[ . 1 .]" 1
507 1 72 CYS H 1 73 CYS H 4.400 . 6.000 4.392 4.237 4.586 . 0 0 "[ . 1 .]" 1
508 1 35 THR HB 1 73 CYS H 4.300 . 6.000 5.977 5.795 6.059 0.059 7 0 "[ . 1 .]" 1
509 1 33 TRP HA 1 73 CYS H 4.700 . 6.000 5.260 4.932 5.578 . 0 0 "[ . 1 .]" 1
510 1 71 TYR QD 1 73 CYS H 4.500 . 6.000 4.622 4.032 4.909 . 0 0 "[ . 1 .]" 1
511 1 71 TYR H 1 72 CYS H 4.400 . 6.000 4.508 4.309 4.613 . 0 0 "[ . 1 .]" 1
512 1 20 GLU H 1 50 ARG HA 4.100 . 6.000 4.801 4.427 4.989 . 0 0 "[ . 1 .]" 1
513 1 14 LEU H 1 15 VAL H 3.800 . 5.600 4.204 3.677 4.501 . 0 0 "[ . 1 .]" 1
514 1 22 PRO HB3 1 24 CYS H 6.000 . 6.000 4.777 4.530 4.930 . 0 0 "[ . 1 .]" 1
515 1 22 PRO HB2 1 24 CYS H 6.000 . 6.000 3.804 3.402 4.055 . 0 0 "[ . 1 .]" 1
516 1 19 CYS QB 1 24 CYS H 4.300 . 6.000 4.384 4.009 5.175 . 0 0 "[ . 1 .]" 1
517 1 24 CYS H 1 51 GLY HA3 4.400 . 6.000 5.388 4.940 5.776 . 0 0 "[ . 1 .]" 1
518 1 23 HIS HE1 1 24 CYS H 6.000 . 6.000 5.961 5.676 6.071 0.071 4 0 "[ . 1 .]" 1
519 1 23 HIS H 1 24 CYS H 2.500 . 3.300 2.124 1.888 2.628 . 0 0 "[ . 1 .]" 1
520 1 22 PRO HG2 1 24 CYS H 6.000 . 6.000 3.384 3.037 3.610 . 0 0 "[ . 1 .]" 1
521 1 25 LYS QD 1 26 GLY H 2.900 . 6.000 4.942 4.097 5.768 . 0 0 "[ . 1 .]" 1
522 1 26 GLY H 1 27 PRO QB 5.600 . 6.000 5.210 4.816 5.557 . 0 0 "[ . 1 .]" 1
523 1 26 GLY H 1 27 PRO HA 3.400 . 4.900 4.833 4.154 5.039 0.139 1 0 "[ . 1 .]" 1
524 1 19 CYS HA 1 26 GLY H 4.900 . 6.000 5.958 5.648 6.098 0.098 15 0 "[ . 1 .]" 1
525 1 24 CYS H 1 26 GLY H 3.200 . 4.500 4.439 4.335 4.593 0.093 6 0 "[ . 1 .]" 1
526 1 16 THR MG 1 28 THR H 4.200 . 6.000 5.568 5.262 5.984 . 0 0 "[ . 1 .]" 1
527 1 28 THR H 1 29 CYS QB 4.900 . 6.000 4.475 4.031 4.816 . 0 0 "[ . 1 .]" 1
528 1 24 CYS QB 1 28 THR H 5.700 . 6.000 4.223 3.629 5.296 . 0 0 "[ . 1 .]" 1
529 1 18 THR HA 1 28 THR H 4.800 . 6.000 5.777 5.353 6.080 0.080 5 0 "[ . 1 .]" 1
530 1 29 CYS H 1 77 LEU QD 4.300 . 6.000 5.152 4.903 5.368 . 0 0 "[ . 1 .]" 1
531 1 16 THR MG 1 30 ARG H 5.500 . 6.000 4.365 3.736 5.098 . 0 0 "[ . 1 .]" 1
532 1 15 VAL MG1 1 31 GLY H 3.400 . 4.900 4.309 4.020 4.531 . 0 0 "[ . 1 .]" 1
533 1 29 CYS QB 1 31 GLY H 4.800 . 6.000 5.193 4.492 5.739 . 0 0 "[ . 1 .]" 1
534 1 32 ALA H 1 52 CYS HB3 4.400 . 6.000 4.366 3.973 4.741 . 0 0 "[ . 1 .]" 1
535 1 32 ALA H 1 54 ASN HB2 6.000 . 6.000 4.838 3.842 6.013 0.013 15 0 "[ . 1 .]" 1
536 1 32 ALA H 1 33 TRP H 2.000 . 2.500 1.845 1.611 2.237 . 0 0 "[ . 1 .]" 1
537 1 31 GLY H 1 32 ALA H 3.600 . 5.300 3.592 3.118 4.069 . 0 0 "[ . 1 .]" 1
538 1 14 LEU HA 1 33 TRP H 2.700 . 6.000 5.707 5.557 5.929 . 0 0 "[ . 1 .]" 1
539 1 31 GLY H 1 33 TRP H 4.600 . 6.000 4.462 4.043 5.138 . 0 0 "[ . 1 .]" 1
540 1 34 CYS H 1 76 HIS HA 4.600 . 6.000 5.601 5.241 6.025 0.025 9 0 "[ . 1 .]" 1
541 1 36 VAL H 1 71 TYR HB3 2.900 . 4.000 3.219 2.885 3.496 . 0 0 "[ . 1 .]" 1
542 1 36 VAL H 1 71 TYR HB2 5.100 . 6.000 4.693 4.433 4.938 . 0 0 "[ . 1 .]" 1
543 1 36 VAL H 1 71 TYR HA 5.100 . 6.000 4.546 4.443 4.644 . 0 0 "[ . 1 .]" 1
544 1 36 VAL H 1 71 TYR QE 6.000 . 6.000 5.975 5.761 6.062 0.062 7 0 "[ . 1 .]" 1
545 1 23 HIS HE1 1 36 VAL H 5.600 . 6.000 5.418 4.864 5.768 . 0 0 "[ . 1 .]" 1
546 1 36 VAL H 1 51 GLY H 5.300 . 6.000 4.773 4.531 5.062 . 0 0 "[ . 1 .]" 1
547 1 38 LEU HA 1 40 ARG H 6.000 . 6.000 5.406 4.954 5.893 . 0 0 "[ . 1 .]" 1
548 1 41 GLU H 1 42 GLU HA 3.900 . 5.800 5.344 4.571 5.953 0.153 13 0 "[ . 1 .]" 1
549 1 44 ARG H 1 45 HIS HB2 4.600 . 6.000 5.529 3.564 6.821 0.821 10 3 "[ . *+ -.]" 1
550 1 41 GLU QG 1 44 ARG H 4.400 . 6.000 4.190 2.791 5.729 . 0 0 "[ . 1 .]" 1
551 1 42 GLU QG 1 44 ARG H 3.300 . 6.000 5.253 4.279 6.012 0.012 2 0 "[ . 1 .]" 1
552 1 38 LEU HG 1 47 GLN H 3.600 . 5.200 3.614 2.491 4.142 . 0 0 "[ . 1 .]" 1
553 1 74 ASP H 1 75 SER H 2.600 . 3.400 2.673 1.907 3.339 . 0 0 "[ . 1 .]" 1
554 1 39 VAL H 1 47 GLN H 2.600 . 3.500 2.815 2.422 3.411 . 0 0 "[ . 1 .]" 1
555 1 44 ARG QG 1 45 HIS H 3.800 . 5.600 2.905 1.937 4.232 0.063 10 0 "[ . 1 .]" 1
556 1 44 ARG QB 1 45 HIS H 3.200 . 4.400 2.594 1.854 3.946 0.146 1 0 "[ . 1 .]" 1
557 1 45 HIS H 1 45 HIS HA 2.800 . 3.800 2.867 2.752 2.956 . 0 0 "[ . 1 .]" 1
558 1 44 ARG H 1 45 HIS H 3.700 . 5.400 3.075 1.952 4.218 0.048 13 0 "[ . 1 .]" 1
559 1 45 HIS H 1 46 PRO QD 4.700 . 6.000 3.756 2.574 4.427 . 0 0 "[ . 1 .]" 1
560 1 45 HIS H 1 47 GLN QG 5.300 . 6.000 5.012 3.787 6.022 0.022 12 0 "[ . 1 .]" 1
561 1 20 GLU HA 1 50 ARG H 4.400 . 6.000 4.758 4.493 5.170 . 0 0 "[ . 1 .]" 1
562 1 49 HIS HD2 1 50 ARG H 4.800 . 6.000 4.445 4.184 4.655 . 0 0 "[ . 1 .]" 1
563 1 34 CYS HA 1 52 CYS H 4.600 . 6.000 4.678 4.435 4.932 . 0 0 "[ . 1 .]" 1
564 1 29 CYS QB 1 52 CYS H 4.500 . 6.000 4.006 2.352 4.643 . 0 0 "[ . 1 .]" 1
565 1 32 ALA H 1 53 GLY H 3.700 . 5.500 3.538 3.243 3.872 . 0 0 "[ . 1 .]" 1
566 1 32 ALA MB 1 53 GLY H 4.700 . 6.000 4.051 3.517 4.698 . 0 0 "[ . 1 .]" 1
567 1 32 ALA MB 1 54 ASN H 5.300 . 6.000 3.378 2.201 4.614 . 0 0 "[ . 1 .]" 1
568 1 54 ASN H 1 54 ASN HB3 4.100 . 6.000 3.577 2.776 4.086 . 0 0 "[ . 1 .]" 1
569 1 54 ASN H 1 54 ASN HB2 3.200 . 4.400 3.250 2.482 4.032 . 0 0 "[ . 1 .]" 1
570 1 54 ASN H 1 55 LEU HA 3.600 . 6.000 5.474 5.083 5.928 . 0 0 "[ . 1 .]" 1
571 1 54 ASN H 1 54 ASN QD 4.900 . 6.000 3.458 1.945 4.260 . 0 0 "[ . 1 .]" 1
572 1 57 ARG HB2 1 58 GLU H 4.400 . 6.000 3.929 3.584 4.187 . 0 0 "[ . 1 .]" 1
573 1 58 GLU H 1 58 GLU HG2 3.400 . 4.800 2.839 1.981 4.543 0.019 1 0 "[ . 1 .]" 1
574 1 57 ARG HA 1 58 GLU H 3.900 . 5.800 3.422 3.355 3.486 . 0 0 "[ . 1 .]" 1
575 1 56 HIS HB2 1 58 GLU H 6.000 . 6.000 4.602 4.263 5.006 . 0 0 "[ . 1 .]" 1
576 1 56 HIS HA 1 58 GLU H 3.600 . 5.200 3.389 2.797 3.919 . 0 0 "[ . 1 .]" 1
577 1 58 GLU H 1 59 LEU H 2.900 . 3.900 2.708 2.551 2.956 . 0 0 "[ . 1 .]" 1
578 1 59 LEU H 1 70 HIS HD2 5.000 . 6.000 5.719 4.647 6.054 0.054 3 0 "[ . 1 .]" 1
579 1 56 HIS HA 1 59 LEU H 5.000 . 6.000 4.543 3.613 5.075 . 0 0 "[ . 1 .]" 1
580 1 59 LEU H 1 60 CYS HA 6.000 . 6.000 5.198 5.032 5.399 . 0 0 "[ . 1 .]" 1
581 1 56 HIS HB3 1 59 LEU H 3.700 . 5.400 3.054 2.482 3.497 . 0 0 "[ . 1 .]" 1
582 1 57 ARG HA 1 59 LEU H 3.600 . 5.200 3.738 3.303 4.216 . 0 0 "[ . 1 .]" 1
583 1 56 HIS HB2 1 59 LEU H 4.000 . 6.000 3.884 3.048 4.508 . 0 0 "[ . 1 .]" 1
584 1 59 LEU H 1 60 CYS QB 3.900 . 5.800 4.421 4.147 4.731 . 0 0 "[ . 1 .]" 1
585 1 58 GLU HB2 1 59 LEU H 3.700 . 5.400 3.974 3.659 4.154 . 0 0 "[ . 1 .]" 1
586 1 60 CYS H 1 70 HIS HD2 4.300 . 6.000 4.547 3.493 5.131 . 0 0 "[ . 1 .]" 1
587 1 58 GLU HB3 1 60 CYS H 3.800 . 5.600 4.603 4.140 5.074 . 0 0 "[ . 1 .]" 1
588 1 59 LEU HG 1 60 CYS H 3.900 . 5.800 4.663 3.868 5.061 . 0 0 "[ . 1 .]" 1
589 1 57 ARG HG3 1 60 CYS H 4.700 . 6.000 5.071 4.036 6.423 0.423 5 0 "[ . 1 .]" 1
590 1 59 LEU HB3 1 60 CYS H 3.900 . 5.800 4.366 4.243 4.645 . 0 0 "[ . 1 .]" 1
591 1 33 TRP HZ2 1 60 CYS H 4.300 . 6.000 5.168 3.822 6.024 0.024 11 0 "[ . 1 .]" 1
592 1 59 LEU H 1 60 CYS H 2.700 . 3.600 2.724 2.538 3.126 . 0 0 "[ . 1 .]" 1
593 1 60 CYS H 1 61 ARG HA 6.000 . 6.000 4.607 4.153 4.909 . 0 0 "[ . 1 .]" 1
594 1 61 ARG H 1 62 GLY H 3.300 . 4.700 3.490 1.885 4.373 0.015 1 0 "[ . 1 .]" 1
595 1 60 CYS H 1 61 ARG H 2.000 . 2.500 2.274 1.752 2.810 0.310 8 0 "[ . 1 .]" 1
596 1 60 CYS QB 1 61 ARG H 3.400 . 4.800 3.585 2.797 4.019 . 0 0 "[ . 1 .]" 1
597 1 61 ARG QG 1 62 GLY H 3.800 . 5.600 3.855 2.269 4.901 . 0 0 "[ . 1 .]" 1
598 1 62 GLY H 1 68 VAL QG 5.000 . 6.000 5.351 3.534 6.084 0.084 2 0 "[ . 1 .]" 1
599 1 61 ARG HB3 1 62 GLY H 3.400 . 6.000 3.578 1.686 4.406 . 0 0 "[ . 1 .]" 1
600 1 63 ARG H 1 68 VAL QG 4.200 . 6.000 3.819 2.195 5.586 . 0 0 "[ . 1 .]" 1
601 1 63 ARG H 1 65 THR MG 5.400 . 6.000 5.174 3.354 6.106 0.106 10 0 "[ . 1 .]" 1
602 1 63 ARG H 1 63 ARG QD 4.500 . 6.000 4.314 3.795 4.899 . 0 0 "[ . 1 .]" 1
603 1 63 ARG H 1 64 PRO HD3 4.500 . 6.000 4.298 3.400 4.825 . 0 0 "[ . 1 .]" 1
604 1 65 THR H 1 68 VAL QG 3.800 . 5.600 3.434 2.366 5.438 . 0 0 "[ . 1 .]" 1
605 1 63 ARG HB2 1 65 THR H 4.000 . 6.000 4.655 3.239 5.902 . 0 0 "[ . 1 .]" 1
606 1 63 ARG HB3 1 65 THR H 3.800 . 5.600 4.681 3.455 5.881 0.281 1 0 "[ . 1 .]" 1
607 1 64 PRO HB3 1 65 THR H 3.900 . 5.800 4.310 3.778 4.657 . 0 0 "[ . 1 .]" 1
608 1 65 THR H 1 68 VAL HB 3.200 . 6.000 5.731 5.233 6.059 0.059 11 0 "[ . 1 .]" 1
609 1 64 PRO HD3 1 65 THR H 5.700 . 6.000 5.126 4.413 5.617 . 0 0 "[ . 1 .]" 1
610 1 64 PRO HD2 1 65 THR H 5.200 . 6.000 4.825 3.912 5.445 . 0 0 "[ . 1 .]" 1
611 1 65 THR H 1 68 VAL H 3.800 . 5.600 4.260 3.361 5.531 . 0 0 "[ . 1 .]" 1
612 1 65 THR H 1 66 GLU H 3.200 . 4.500 3.263 1.862 4.397 0.038 1 0 "[ . 1 .]" 1
613 1 65 THR H 1 67 PHE QE 5.700 . 6.000 5.885 4.638 6.190 0.190 11 0 "[ . 1 .]" 1
614 1 66 GLU HB3 1 68 VAL H 3.400 . 4.800 4.751 3.979 5.645 0.845 11 2 "[ . 1+ -]" 1
615 1 77 LEU QD 1 80 HIS H 4.300 . 6.000 4.564 4.113 4.723 . 0 0 "[ . 1 .]" 1
616 1 65 THR MG 1 68 VAL H 2.600 . 6.000 4.518 2.429 6.011 0.011 15 0 "[ . 1 .]" 1
617 1 66 GLU QG 1 68 VAL H 2.800 . 6.000 4.992 4.218 5.461 . 0 0 "[ . 1 .]" 1
618 1 80 HIS H 1 82 VAL H 4.500 . 6.000 4.395 3.792 5.328 . 0 0 "[ . 1 .]" 1
619 1 66 GLU H 1 68 VAL H 2.900 . 3.900 3.565 2.381 4.061 0.161 4 0 "[ . 1 .]" 1
620 1 80 HIS H 1 81 ASN H 2.300 . 2.900 2.533 2.158 2.843 . 0 0 "[ . 1 .]" 1
621 1 18 THR H 1 80 HIS H 3.800 . 5.600 4.144 3.630 4.647 . 0 0 "[ . 1 .]" 1
622 1 69 ASN H 1 70 HIS HA 5.700 . 6.000 4.580 4.238 5.272 . 0 0 "[ . 1 .]" 1
623 1 36 VAL MG2 1 69 ASN H 4.000 . 6.000 5.880 5.357 6.122 0.122 3 0 "[ . 1 .]" 1
624 1 75 SER H 1 76 HIS H 3.600 . 5.200 4.340 4.174 4.427 . 0 0 "[ . 1 .]" 1
625 1 40 ARG H 1 67 PHE QD 5.400 . 6.000 4.967 3.223 6.137 0.137 11 0 "[ . 1 .]" 1
626 1 96 PRO HB2 1 97 GLY H 4.700 . 6.000 3.417 1.746 4.367 0.254 4 0 "[ . 1 .]" 1
627 1 77 LEU QD 1 79 ASN H 4.500 . 6.000 4.905 4.672 5.252 . 0 0 "[ . 1 .]" 1
628 1 79 ASN H 1 82 VAL MG1 4.600 . 6.000 4.866 4.341 5.218 . 0 0 "[ . 1 .]" 1
629 1 36 VAL MG1 1 79 ASN H 4.000 . 6.000 4.395 4.061 4.685 . 0 0 "[ . 1 .]" 1
630 1 77 LEU QB 1 79 ASN H 4.300 . 6.000 5.002 4.836 5.322 . 0 0 "[ . 1 .]" 1
631 1 77 LEU H 1 79 ASN H 4.300 . 6.000 4.351 4.136 4.632 . 0 0 "[ . 1 .]" 1
632 1 18 THR H 1 79 ASN H 3.300 . 4.600 4.356 3.797 4.698 0.098 11 0 "[ . 1 .]" 1
633 1 79 ASN H 1 80 HIS H 2.400 . 3.100 2.539 2.460 2.661 . 0 0 "[ . 1 .]" 1
634 1 88 ALA MB 1 90 GLN H 3.000 . 6.000 4.219 2.366 5.856 . 0 0 "[ . 1 .]" 1
635 1 90 GLN H 1 92 PRO HD2 4.500 . 6.000 5.265 3.229 6.068 0.068 1 0 "[ . 1 .]" 1
636 1 90 GLN H 1 92 PRO HD3 3.400 . 4.900 4.076 3.198 5.020 0.120 4 0 "[ . 1 .]" 1
637 1 83 SER HA 1 85 VAL H 4.100 . 6.000 4.137 3.010 5.566 . 0 0 "[ . 1 .]" 1
638 1 84 LEU H 1 85 VAL H 2.800 . 3.800 2.968 1.802 4.044 0.244 14 0 "[ . 1 .]" 1
639 1 36 VAL MG2 1 85 VAL H 3.600 . 5.200 5.306 5.049 5.490 0.290 2 0 "[ . 1 .]" 1
640 1 83 SER QB 1 85 VAL H 4.400 . 6.000 3.791 3.161 4.424 . 0 0 "[ . 1 .]" 1
641 1 82 VAL MG2 1 84 LEU H 5.400 . 6.000 3.853 2.985 4.838 . 0 0 "[ . 1 .]" 1
642 1 83 SER QB 1 84 LEU H 4.000 . 6.000 3.453 2.666 3.783 . 0 0 "[ . 1 .]" 1
643 1 84 LEU H 1 85 VAL HA 6.000 . 6.000 4.689 3.991 5.352 . 0 0 "[ . 1 .]" 1
644 1 84 LEU H 1 84 LEU QD 3.800 . 5.600 2.657 1.849 3.808 0.151 10 0 "[ . 1 .]" 1
645 1 36 VAL MG2 1 84 LEU H 4.000 . 6.000 4.598 3.848 5.571 . 0 0 "[ . 1 .]" 1
646 1 48 GLU QG 1 84 LEU H 3.900 . 5.800 4.627 2.865 5.798 . 0 0 "[ . 1 .]" 1
647 1 36 VAL HB 1 84 LEU H 4.100 . 6.000 5.618 4.835 6.085 0.085 11 0 "[ . 1 .]" 1
648 1 85 VAL H 1 87 GLU HB3 4.500 . 6.000 5.750 4.512 6.090 0.090 12 0 "[ . 1 .]" 1
649 1 81 ASN HB2 1 82 VAL H 4.100 . 6.000 4.377 3.786 4.629 . 0 0 "[ . 1 .]" 1
650 1 81 ASN HB3 1 82 VAL H 4.300 . 6.000 4.499 4.122 4.684 . 0 0 "[ . 1 .]" 1
651 1 50 ARG QD 1 82 VAL H 3.400 . 4.800 4.221 3.643 4.879 0.079 3 0 "[ . 1 .]" 1
652 1 80 HIS HA 1 82 VAL H 3.900 . 5.800 4.358 3.997 5.109 . 0 0 "[ . 1 .]" 1
653 1 81 ASN H 1 82 VAL H 2.700 . 3.600 2.549 1.771 3.594 0.029 3 0 "[ . 1 .]" 1
654 1 81 ASN H 1 82 VAL MG1 4.500 . 6.000 3.855 2.897 4.391 . 0 0 "[ . 1 .]" 1
655 1 18 THR MG 1 81 ASN H 4.300 . 6.000 6.036 5.917 6.136 0.136 5 0 "[ . 1 .]" 1
656 1 81 ASN H 1 82 VAL HB 4.500 . 6.000 3.756 3.314 4.088 . 0 0 "[ . 1 .]" 1
657 1 80 HIS HB2 1 81 ASN H 4.500 . 6.000 4.110 3.882 4.455 . 0 0 "[ . 1 .]" 1
658 1 17 CYS HA 1 79 ASN H 3.900 . 5.800 4.320 3.725 4.739 . 0 0 "[ . 1 .]" 1
659 1 77 LEU H 1 78 CYS H 2.700 . 3.600 2.660 2.502 2.889 . 0 0 "[ . 1 .]" 1
660 1 75 SER H 1 78 CYS H 4.100 . 6.000 5.013 4.654 5.244 . 0 0 "[ . 1 .]" 1
661 1 17 CYS HA 1 78 CYS H 4.200 . 6.000 3.833 3.479 4.172 . 0 0 "[ . 1 .]" 1
662 1 78 CYS H 1 80 HIS HA 5.400 . 6.000 6.095 6.054 6.143 0.143 15 0 "[ . 1 .]" 1
663 1 77 LEU QB 1 78 CYS H 3.700 . 5.500 3.846 3.773 3.875 . 0 0 "[ . 1 .]" 1
664 1 15 VAL MG1 1 78 CYS H 4.100 . 6.000 4.182 3.768 6.144 0.144 4 0 "[ . 1 .]" 1
665 1 16 THR MG 1 78 CYS H 4.000 . 6.000 6.060 6.008 6.116 0.116 12 0 "[ . 1 .]" 1
666 1 34 CYS HB3 1 78 CYS H 4.100 . 6.000 3.921 3.629 4.222 . 0 0 "[ . 1 .]" 1
667 1 16 THR MG 1 77 LEU H 4.000 . 6.000 4.047 3.859 4.195 . 0 0 "[ . 1 .]" 1
668 1 16 THR HB 1 77 LEU H 3.900 . 5.800 4.571 4.008 5.210 . 0 0 "[ . 1 .]" 1
669 1 17 CYS H 1 77 LEU H 4.700 . 6.000 4.582 4.411 4.867 . 0 0 "[ . 1 .]" 1
670 1 77 LEU H 1 78 CYS HB2 4.800 . 6.000 4.909 4.633 5.119 . 0 0 "[ . 1 .]" 1
671 1 76 HIS H 1 76 HIS HD2 3.900 . 5.800 3.646 2.054 4.671 . 0 0 "[ . 1 .]" 1
672 1 16 THR H 1 76 HIS H 4.800 . 6.000 5.462 5.033 5.973 . 0 0 "[ . 1 .]" 1
673 1 15 VAL HB 1 76 HIS H 5.800 . 6.000 5.647 3.116 6.028 0.028 9 0 "[ . 1 .]" 1
674 1 76 HIS H 1 77 LEU QD 5.500 . 6.000 5.392 4.523 5.530 . 0 0 "[ . 1 .]" 1
675 1 15 VAL MG1 1 75 SER H 2.900 . 3.900 3.464 3.091 4.263 0.363 4 0 "[ . 1 .]" 1
676 1 15 VAL HB 1 75 SER H 5.900 . 6.000 5.709 4.937 6.054 0.054 15 0 "[ . 1 .]" 1
677 1 75 SER H 1 76 HIS HA 3.800 . 5.600 4.805 4.361 5.014 . 0 0 "[ . 1 .]" 1
678 1 75 SER H 1 77 LEU H 5.700 . 6.000 5.998 5.701 6.079 0.079 15 0 "[ . 1 .]" 1
679 1 69 ASN QB 1 70 HIS H 3.800 . 5.600 3.828 3.524 4.066 . 0 0 "[ . 1 .]" 1
680 1 37 VAL QG 1 70 HIS H 3.800 . 6.000 3.284 2.883 3.799 . 0 0 "[ . 1 .]" 1
681 1 61 ARG H 1 70 HIS H 5.000 . 6.000 5.978 5.023 6.103 0.103 10 0 "[ . 1 .]" 1
682 1 70 HIS H 1 71 TYR H 4.700 . 6.000 4.186 4.030 4.515 . 0 0 "[ . 1 .]" 1
683 1 39 VAL MG2 1 47 GLN HE21 5.900 . 6.000 4.584 2.598 6.070 0.070 3 0 "[ . 1 .]" 1
684 1 45 HIS HB3 1 47 GLN HE21 3.300 . 6.000 5.015 2.104 6.304 0.304 10 0 "[ . 1 .]" 1
685 1 31 GLY QA 1 54 ASN QD 4.800 . 6.000 2.219 1.571 2.794 0.429 9 0 "[ . 1 .]" 1
686 1 54 ASN HA 1 54 ASN QD 4.600 . 6.000 2.987 1.856 3.865 0.044 6 0 "[ . 1 .]" 1
687 1 54 ASN QD 1 55 LEU QD 5.600 . 6.000 4.370 3.568 5.314 . 0 0 "[ . 1 .]" 1
688 1 69 ASN QD 1 84 LEU QD 4.400 . 6.000 2.291 1.690 3.452 0.310 1 0 "[ . 1 .]" 1
689 1 69 ASN QD 1 85 VAL QG 4.100 . 6.000 4.147 3.288 4.980 . 0 0 "[ . 1 .]" 1
690 1 69 ASN QD 1 84 LEU HG 4.100 . 6.000 3.610 1.946 4.612 0.054 3 0 "[ . 1 .]" 1
691 1 69 ASN QD 1 84 LEU QB 4.000 . 6.000 3.207 1.932 4.690 0.068 6 0 "[ . 1 .]" 1
692 1 69 ASN QD 1 87 GLU HB2 4.300 . 6.000 5.261 3.235 5.881 . 0 0 "[ . 1 .]" 1
693 1 69 ASN HA 1 69 ASN QD 5.100 . 6.000 4.077 3.622 4.397 . 0 0 "[ . 1 .]" 1
694 1 33 TRP HE1 1 53 GLY H 4.700 . 6.000 3.929 3.645 4.272 . 0 0 "[ . 1 .]" 1
695 1 33 TRP HE1 1 72 CYS HA 6.000 . 6.000 5.683 4.977 6.034 0.034 13 0 "[ . 1 .]" 1
696 1 33 TRP HE1 1 72 CYS HB3 3.900 . 5.800 4.171 3.410 4.886 . 0 0 "[ . 1 .]" 1
697 1 33 TRP HZ2 1 57 ARG H 4.500 . 6.000 5.408 4.104 6.094 0.094 3 0 "[ . 1 .]" 1
698 1 57 ARG H 1 59 LEU H 6.000 . 6.000 4.128 3.842 4.302 . 0 0 "[ . 1 .]" 1
699 1 57 ARG H 1 58 GLU H 3.200 . 4.500 2.266 1.996 2.549 . 0 0 "[ . 1 .]" 1
700 1 56 HIS HB3 1 57 ARG H 5.400 . 6.000 3.605 2.955 4.312 . 0 0 "[ . 1 .]" 1
701 1 57 ARG H 1 57 ARG HD3 6.000 . 6.000 4.995 4.443 5.954 . 0 0 "[ . 1 .]" 1
702 1 57 ARG H 1 57 ARG HG2 4.700 . 6.000 4.526 3.877 4.708 . 0 0 "[ . 1 .]" 1
703 1 57 ARG H 1 57 ARG HG3 4.200 . 6.000 4.473 4.285 4.573 . 0 0 "[ . 1 .]" 1
704 1 16 THR H 1 30 ARG QG 6.000 . 6.000 4.228 2.774 5.803 . 0 0 "[ . 1 .]" 1
705 1 31 GLY H 1 54 ASN QD 6.000 . 6.000 4.402 3.880 5.035 . 0 0 "[ . 1 .]" 1
706 1 30 ARG HA 1 54 ASN QD 6.000 . 6.000 5.352 4.765 5.807 . 0 0 "[ . 1 .]" 1
707 1 61 ARG H 1 70 HIS HD2 6.000 . 6.000 3.559 1.593 5.341 . 0 0 "[ . 1 .]" 1
708 1 35 THR HB 1 36 VAL H 2.800 . 3.800 3.312 3.073 3.476 . 0 0 "[ . 1 .]" 1
709 1 35 THR HA 1 35 THR HB 2.500 . 3.300 2.555 2.486 2.660 . 0 0 "[ . 1 .]" 1
710 1 75 SER HB2 1 76 HIS H 2.900 . 4.000 3.530 2.744 4.162 0.162 8 0 "[ . 1 .]" 1
711 1 75 SER HA 1 75 SER HB3 2.400 . 3.100 2.501 2.310 3.026 . 0 0 "[ . 1 .]" 1
712 1 64 PRO HA 1 65 THR H 2.800 . 3.800 2.377 2.143 2.829 . 0 0 "[ . 1 .]" 1
713 1 82 VAL HA 1 94 GLU H 2.200 . 6.000 4.060 2.914 4.978 . 0 0 "[ . 1 .]" 1
714 1 7 VAL HA 1 8 LYS H 2.300 . 3.000 2.522 2.157 3.244 0.244 6 0 "[ . 1 .]" 1
715 1 78 CYS H 1 78 CYS HA 2.700 . 3.600 2.923 2.889 2.944 . 0 0 "[ . 1 .]" 1
716 1 10 SER HA 1 11 ARG H 2.500 . 3.300 3.165 2.531 3.536 0.236 11 0 "[ . 1 .]" 1
717 1 42 GLU HA 1 43 GLY H 2.000 . 2.500 2.259 2.109 2.414 . 0 0 "[ . 1 .]" 1
718 1 60 CYS H 1 60 CYS HA 2.500 . 3.300 2.924 2.812 2.952 . 0 0 "[ . 1 .]" 1
719 1 43 GLY H 1 43 GLY HA2 2.800 . 3.800 2.388 2.279 2.609 . 0 0 "[ . 1 .]" 1
720 1 62 GLY HA2 1 63 ARG H 2.700 . 3.600 2.943 2.134 3.541 . 0 0 "[ . 1 .]" 1
721 1 16 THR MG 1 28 THR HB 2.500 . 3.300 2.518 1.948 3.299 . 0 0 "[ . 1 .]" 1
722 1 28 THR HB 1 28 THR MG 2.300 . 2.900 2.132 2.129 2.135 . 0 0 "[ . 1 .]" 1
723 1 35 THR HB 1 37 VAL QG 2.800 . 3.800 3.384 3.038 3.633 . 0 0 "[ . 1 .]" 1
724 1 98 THR HB 1 98 THR MG 3.000 . 4.100 2.134 2.125 2.138 . 0 0 "[ . 1 .]" 1
725 1 89 THR HB 1 89 THR MG 2.300 . 3.000 2.135 2.130 2.141 . 0 0 "[ . 1 .]" 1
726 1 18 THR HB 1 18 THR MG 2.400 . 3.100 2.136 2.123 2.146 . 0 0 "[ . 1 .]" 1
727 1 18 THR HA 1 18 THR MG 3.100 . 4.300 2.454 2.362 2.560 . 0 0 "[ . 1 .]" 1
728 1 8 LYS QB 1 9 PRO HA 5.000 . 6.000 4.601 4.204 5.037 . 0 0 "[ . 1 .]" 1
729 1 13 PRO HA 1 14 LEU HB3 5.700 . 6.000 5.596 4.707 5.797 . 0 0 "[ . 1 .]" 1
730 1 38 LEU MD2 1 85 VAL HA 2.200 . 6.000 2.722 1.462 5.835 . 0 0 "[ . 1 .]" 1
731 1 7 VAL HA 1 7 VAL QG 3.100 . 4.300 2.215 2.133 2.293 . 0 0 "[ . 1 .]" 1
732 1 89 THR HA 1 89 THR MG 3.000 . 4.100 2.535 2.223 3.219 . 0 0 "[ . 1 .]" 1
733 1 65 THR HA 1 65 THR MG 3.100 . 4.300 2.563 2.161 3.218 . 0 0 "[ . 1 .]" 1
734 1 15 VAL HA 1 15 VAL QG 2.500 . 3.300 2.163 2.123 2.523 . 0 0 "[ . 1 .]" 1
735 1 58 GLU HA 1 58 GLU HB3 2.500 . 3.300 2.470 2.369 2.764 . 0 0 "[ . 1 .]" 1
736 1 42 GLU HA 1 42 GLU QG 3.200 . 4.500 2.718 2.289 3.333 . 0 0 "[ . 1 .]" 1
737 1 42 GLU HA 1 42 GLU QB 2.200 . 2.800 2.407 2.161 2.532 . 0 0 "[ . 1 .]" 1
738 1 66 GLU HA 1 66 GLU QG 2.800 . 3.800 2.590 2.425 3.352 . 0 0 "[ . 1 .]" 1
739 1 66 GLU HA 1 66 GLU QB 2.300 . 3.000 2.339 2.180 2.421 . 0 0 "[ . 1 .]" 1
740 1 87 GLU HA 1 87 GLU HB2 2.500 . 6.000 2.550 2.432 2.776 . 0 0 "[ . 1 .]" 1
741 1 11 ARG HA 1 11 ARG QG 2.800 . 3.800 2.720 2.286 3.336 . 0 0 "[ . 1 .]" 1
742 1 8 LYS QG 1 11 ARG HA 3.700 . 6.000 5.128 4.029 6.224 0.224 11 0 "[ . 1 .]" 1
743 1 41 GLU HA 1 41 GLU QG 2.800 . 3.800 2.746 2.295 3.506 . 0 0 "[ . 1 .]" 1
744 1 41 GLU HA 1 41 GLU QB 2.500 . 3.300 2.315 2.131 2.487 . 0 0 "[ . 1 .]" 1
745 1 32 ALA HA 1 32 ALA MB 2.100 . 2.700 2.132 2.121 2.138 . 0 0 "[ . 1 .]" 1
746 1 14 LEU QD 1 32 ALA HA 3.300 . 4.600 3.907 3.288 4.514 . 0 0 "[ . 1 .]" 1
747 1 32 ALA MB 1 54 ASN HA 2.400 . 3.100 2.537 1.687 3.220 0.120 10 0 "[ . 1 .]" 1
748 1 79 ASN HA 1 82 VAL MG1 3.300 . 4.700 2.635 2.087 3.264 . 0 0 "[ . 1 .]" 1
749 1 88 ALA HA 1 88 ALA MB 2.400 . 3.100 2.128 2.115 2.147 . 0 0 "[ . 1 .]" 1
750 1 92 PRO HD2 1 92 PRO QG 2.000 . 2.500 2.181 2.148 2.226 . 0 0 "[ . 1 .]" 1
751 1 46 PRO HB3 1 46 PRO QD 3.000 . 4.100 3.259 2.909 3.552 . 0 0 "[ . 1 .]" 1
752 1 27 PRO QB 1 27 PRO HD3 4.000 . 4.700 3.250 2.863 3.546 . 0 0 "[ . 1 .]" 1
753 1 40 ARG QB 1 40 ARG HD3 2.800 . 3.700 2.743 2.325 3.478 . 0 0 "[ . 1 .]" 1
754 1 40 ARG HD2 1 40 ARG QG 2.500 . 3.300 2.337 2.164 2.456 . 0 0 "[ . 1 .]" 1
755 1 30 ARG HD3 1 30 ARG QG 2.000 . 2.500 2.305 2.168 2.409 . 0 0 "[ . 1 .]" 1
756 1 11 ARG QB 1 11 ARG QD 2.600 . 3.400 2.327 2.094 2.796 . 0 0 "[ . 1 .]" 1
757 1 11 ARG QD 1 11 ARG QG 1.900 . 2.400 2.048 1.986 2.089 . 0 0 "[ . 1 .]" 1
758 1 12 GLY HA3 1 13 PRO HD2 2.500 . 3.300 2.728 2.103 3.195 . 0 0 "[ . 1 .]" 1
759 1 26 GLY HA2 1 28 THR H 6.000 . 6.000 5.769 3.658 6.746 0.746 3 5 "[- + ** 1 * .]" 1
760 1 26 GLY HA2 1 27 PRO QG 3.800 . 6.000 4.783 3.724 5.329 . 0 0 "[ . 1 .]" 1
761 1 26 GLY HA2 1 27 PRO QB 3.600 . 5.200 5.017 4.147 5.519 0.319 9 0 "[ . 1 .]" 1
762 1 15 VAL H 1 15 VAL HA 2.900 . 4.000 2.924 2.911 2.941 . 0 0 "[ . 1 .]" 1
763 1 15 VAL HA 1 16 THR HA 3.300 . 6.000 4.415 4.382 4.440 . 0 0 "[ . 1 .]" 1
764 1 16 THR H 1 16 THR HA 2.700 . 3.600 2.883 2.872 2.893 . 0 0 "[ . 1 .]" 1
765 1 16 THR HA 1 17 CYS HA 2.400 . 6.000 4.401 4.377 4.432 . 0 0 "[ . 1 .]" 1
766 1 16 THR HA 1 16 THR MG 2.700 . 3.600 2.527 2.403 2.689 . 0 0 "[ . 1 .]" 1
767 1 17 CYS HA 1 77 LEU QD 2.500 . 3.300 2.166 1.839 2.488 . 0 0 "[ . 1 .]" 1
768 1 16 THR HB 1 77 LEU QD 3.300 . 4.700 3.228 2.648 3.762 . 0 0 "[ . 1 .]" 1
769 1 15 VAL MG1 1 16 THR HB 5.200 . 6.000 4.629 4.360 6.201 0.201 4 0 "[ . 1 .]" 1
770 1 16 THR HB 1 76 HIS QB 3.600 . 5.200 3.260 2.738 3.878 . 0 0 "[ . 1 .]" 1
771 1 15 VAL HA 1 16 THR HB 4.000 . 6.000 4.531 4.370 4.698 . 0 0 "[ . 1 .]" 1
772 1 18 THR HA 1 77 LEU QD 3.400 . 4.900 3.991 3.593 4.336 . 0 0 "[ . 1 .]" 1
773 1 18 THR HA 1 28 THR MG 2.700 . 3.600 2.272 1.765 3.293 0.035 2 0 "[ . 1 .]" 1
774 1 18 THR HA 1 18 THR HB 3.000 . 4.100 3.030 3.024 3.037 . 0 0 "[ . 1 .]" 1
775 1 18 THR HA 1 28 THR HA 3.100 . 4.300 3.444 3.088 3.806 . 0 0 "[ . 1 .]" 1
776 1 18 THR H 1 18 THR HA 2.900 . 3.900 2.757 2.727 2.845 . 0 0 "[ . 1 .]" 1
777 1 18 THR HB 1 79 ASN H 5.300 . 6.000 5.043 4.593 5.733 . 0 0 "[ . 1 .]" 1
778 1 17 CYS HA 1 18 THR HB 4.400 . 6.000 4.724 4.530 4.964 . 0 0 "[ . 1 .]" 1
779 1 18 THR HB 1 77 LEU HA 4.300 . 6.000 4.940 4.464 5.372 . 0 0 "[ . 1 .]" 1
780 1 18 THR HB 1 50 ARG QD 2.700 . 3.600 3.280 2.220 3.638 0.038 2 0 "[ . 1 .]" 1
781 1 17 CYS HB3 1 18 THR HB 5.500 . 6.000 4.376 4.044 4.610 . 0 0 "[ . 1 .]" 1
782 1 17 CYS HB2 1 18 THR HB 5.900 . 6.000 5.627 5.216 6.017 0.017 11 0 "[ . 1 .]" 1
783 1 18 THR HB 1 50 ARG QB 3.200 . 4.500 3.820 3.228 4.310 . 0 0 "[ . 1 .]" 1
784 1 18 THR HB 1 50 ARG QG 3.900 . 5.800 4.064 2.630 5.281 . 0 0 "[ . 1 .]" 1
785 1 18 THR HB 1 77 LEU QD 4.200 . 6.000 4.621 4.207 4.907 . 0 0 "[ . 1 .]" 1
786 1 19 CYS HA 1 50 ARG H 4.100 . 6.000 3.936 3.480 4.185 . 0 0 "[ . 1 .]" 1
787 1 19 CYS H 1 19 CYS HA 3.000 . 4.100 2.919 2.767 2.955 . 0 0 "[ . 1 .]" 1
788 1 19 CYS HA 1 51 GLY HA3 2.500 . 3.300 2.660 1.953 2.913 . 0 0 "[ . 1 .]" 1
789 1 19 CYS HA 1 50 ARG QB 3.700 . 5.400 4.133 3.201 4.557 . 0 0 "[ . 1 .]" 1
790 1 19 CYS HA 1 50 ARG QG 4.100 . 6.000 4.036 2.946 5.608 . 0 0 "[ . 1 .]" 1
791 1 19 CYS HA 1 51 GLY HA2 3.000 . 4.100 2.841 2.427 3.071 . 0 0 "[ . 1 .]" 1
792 1 20 GLU HA 1 21 SER H 2.000 . 2.500 2.239 2.187 2.301 . 0 0 "[ . 1 .]" 1
793 1 21 SER HA 1 22 PRO QD 2.800 . 3.400 2.968 2.756 3.043 . 0 0 "[ . 1 .]" 1
794 1 21 SER H 1 21 SER HA 2.700 . 3.600 2.270 2.259 2.285 . 0 0 "[ . 1 .]" 1
795 1 21 SER H 1 21 SER QB 3.500 . 5.000 3.058 2.906 3.365 . 0 0 "[ . 1 .]" 1
796 1 21 SER QB 1 50 ARG H 5.100 . 6.000 5.160 4.818 5.479 . 0 0 "[ . 1 .]" 1
797 1 20 GLU H 1 21 SER QB 5.300 . 6.000 4.834 4.683 5.242 . 0 0 "[ . 1 .]" 1
798 1 21 SER QB 1 49 HIS QB 3.300 . 4.300 3.429 3.242 3.536 . 0 0 "[ . 1 .]" 1
799 1 21 SER QB 1 22 PRO QD 3.100 . 4.300 3.639 3.562 3.726 . 0 0 "[ . 1 .]" 1
800 1 21 SER QB 1 49 HIS HA 3.500 . 5.000 3.992 3.589 4.369 . 0 0 "[ . 1 .]" 1
801 1 24 CYS HA 1 24 CYS QB 2.800 . 3.800 2.253 2.172 2.414 . 0 0 "[ . 1 .]" 1
802 1 19 CYS H 1 28 THR HA 2.500 . 3.300 2.772 1.996 3.335 0.035 11 0 "[ . 1 .]" 1
803 1 28 THR HA 1 29 CYS HA 4.000 . 6.000 4.508 4.406 4.591 . 0 0 "[ . 1 .]" 1
804 1 19 CYS HA 1 28 THR HA 5.800 . 6.000 4.446 4.079 5.369 . 0 0 "[ . 1 .]" 1
805 1 28 THR HA 1 28 THR HB 2.400 . 3.100 2.569 2.508 2.654 . 0 0 "[ . 1 .]" 1
806 1 19 CYS QB 1 28 THR HA . . 3.600 2.111 1.763 3.306 0.237 6 0 "[ . 1 .]" 1
807 1 24 CYS QB 1 28 THR HA 5.400 . 6.000 4.584 4.254 5.416 . 0 0 "[ . 1 .]" 1
808 1 28 THR HA 1 29 CYS QB 5.200 . 6.000 4.064 3.706 4.295 . 0 0 "[ . 1 .]" 1
809 1 16 THR MG 1 28 THR HA 3.500 . 5.000 3.938 3.393 4.286 . 0 0 "[ . 1 .]" 1
810 1 28 THR HA 1 28 THR MG 2.400 . 3.100 2.279 2.173 2.350 . 0 0 "[ . 1 .]" 1
811 1 28 THR HA 1 77 LEU QD 4.100 . 6.000 5.390 5.116 5.812 . 0 0 "[ . 1 .]" 1
812 1 27 PRO QG 1 28 THR HA 5.600 . 6.000 5.009 4.291 6.092 0.092 14 0 "[ . 1 .]" 1
813 1 17 CYS H 1 30 ARG HA 3.800 . 5.600 3.924 3.306 4.464 . 0 0 "[ . 1 .]" 1
814 1 16 THR HA 1 30 ARG HA 2.600 . 3.400 2.135 1.711 2.556 0.089 3 0 "[ . 1 .]" 1
815 1 16 THR MG 1 30 ARG HA 3.600 . 5.200 3.862 3.303 4.330 . 0 0 "[ . 1 .]" 1
816 1 15 VAL MG1 1 30 ARG HA 3.700 . 5.400 4.797 4.361 5.297 . 0 0 "[ . 1 .]" 1
817 1 31 GLY QA 1 32 ALA HA 2.600 . 6.000 3.934 3.864 3.985 . 0 0 "[ . 1 .]" 1
818 1 31 GLY QA 1 32 ALA MB 4.000 . 6.000 3.624 3.549 3.710 . 0 0 "[ . 1 .]" 1
819 1 15 VAL MG2 1 31 GLY QA 4.200 . 6.000 5.270 4.243 5.430 . 0 0 "[ . 1 .]" 1
820 1 14 LEU QD 1 31 GLY QA 3.500 . 4.000 3.124 2.555 3.593 . 0 0 "[ . 1 .]" 1
821 1 31 GLY QA 1 52 CYS HB3 4.600 . 4.700 3.413 2.913 3.734 . 0 0 "[ . 1 .]" 1
822 1 31 GLY QA 1 54 ASN HA 4.200 . 4.800 2.692 1.899 4.006 0.101 8 0 "[ . 1 .]" 1
823 1 31 GLY QA 1 52 CYS HA 6.000 . 6.000 4.139 3.753 4.328 . 0 0 "[ . 1 .]" 1
824 1 30 ARG HA 1 31 GLY QA 6.000 . 6.000 3.866 3.801 3.924 . 0 0 "[ . 1 .]" 1
825 1 31 GLY QA 1 33 TRP H 5.000 . 6.000 3.522 3.337 3.655 . 0 0 "[ . 1 .]" 1
826 1 30 ARG QB 1 31 GLY QA 5.200 . 6.000 3.952 3.710 4.255 . 0 0 "[ . 1 .]" 1
827 1 15 VAL MG2 1 32 ALA HA 3.200 . 4.500 3.895 3.425 4.539 0.039 1 0 "[ . 1 .]" 1
828 1 32 ALA HA 1 33 TRP H 3.400 . 4.900 3.437 3.397 3.479 . 0 0 "[ . 1 .]" 1
829 1 17 CYS H 1 28 THR HB 3.700 . 5.400 4.296 3.539 5.175 . 0 0 "[ . 1 .]" 1
830 1 28 THR HB 1 29 CYS HA 3.600 . 5.200 4.030 3.689 4.280 . 0 0 "[ . 1 .]" 1
831 1 28 THR HB 1 77 LEU QD 2.700 . 6.000 4.594 3.957 5.492 . 0 0 "[ . 1 .]" 1
832 1 28 THR HB 1 30 ARG QG 5.200 . 6.000 5.525 4.953 6.031 0.031 15 0 "[ . 1 .]" 1
833 1 25 LYS H 1 29 CYS QB 2.800 . 6.000 5.583 4.556 5.816 . 0 0 "[ . 1 .]" 1
834 1 19 CYS QB 1 29 CYS QB 3.700 . 3.900 3.463 3.289 3.672 . 0 0 "[ . 1 .]" 1
835 1 29 CYS QB 1 30 ARG QB 3.800 . 5.600 4.926 4.664 5.280 . 0 0 "[ . 1 .]" 1
836 1 34 CYS H 1 34 CYS HA 3.000 . 4.100 2.922 2.905 2.942 . 0 0 "[ . 1 .]" 1
837 1 34 CYS HA 1 53 GLY H 3.400 . 4.800 3.498 3.232 3.783 . 0 0 "[ . 1 .]" 1
838 1 23 HIS HE1 1 34 CYS HA 4.200 . 6.000 5.052 4.696 5.602 . 0 0 "[ . 1 .]" 1
839 1 34 CYS HA 1 51 GLY H 5.300 . 6.000 4.322 4.000 4.700 . 0 0 "[ . 1 .]" 1
840 1 34 CYS HA 1 52 CYS HA 2.500 . 3.300 2.475 2.052 2.920 . 0 0 "[ . 1 .]" 1
841 1 15 VAL MG1 1 34 CYS HA 3.900 . 5.800 3.987 3.585 6.091 0.291 4 0 "[ . 1 .]" 1
842 1 34 CYS HA 1 34 CYS QB 2.300 . 3.000 2.393 2.349 2.436 . 0 0 "[ . 1 .]" 1
843 1 33 TRP HB2 1 34 CYS HA 3.700 . 5.400 4.594 4.515 4.719 . 0 0 "[ . 1 .]" 1
844 1 34 CYS HA 1 52 CYS HB3 3.800 . 5.600 4.297 3.408 5.148 . 0 0 "[ . 1 .]" 1
845 1 17 CYS HB3 1 34 CYS HA 3.200 . 4.500 3.544 3.171 3.893 . 0 0 "[ . 1 .]" 1
846 1 35 THR H 1 35 THR HA 2.400 . 3.100 2.938 2.923 2.949 . 0 0 "[ . 1 .]" 1
847 1 35 THR HA 1 36 VAL H 2.100 . 2.600 2.119 2.095 2.152 . 0 0 "[ . 1 .]" 1
848 1 35 THR HA 1 71 TYR QD 5.100 . 6.000 4.576 4.163 4.821 . 0 0 "[ . 1 .]" 1
849 1 35 THR HA 1 72 CYS HA 1.900 . 2.400 2.244 2.114 2.401 0.001 10 0 "[ . 1 .]" 1
850 1 35 THR HA 1 36 VAL HA 4.200 . 6.000 4.364 4.349 4.384 . 0 0 "[ . 1 .]" 1
851 1 35 THR HA 1 72 CYS HB3 4.200 . 6.000 3.688 3.144 4.231 . 0 0 "[ . 1 .]" 1
852 1 35 THR HA 1 36 VAL HB 5.700 . 6.000 5.665 5.573 5.763 . 0 0 "[ . 1 .]" 1
853 1 35 THR HA 1 35 THR MG 2.400 . 3.100 2.264 2.180 2.334 . 0 0 "[ . 1 .]" 1
854 1 35 THR HA 1 36 VAL MG1 3.600 . 5.200 3.601 3.282 3.943 . 0 0 "[ . 1 .]" 1
855 1 35 THR HA 1 37 VAL QG 5.500 . 6.000 4.659 4.374 4.856 . 0 0 "[ . 1 .]" 1
856 1 35 THR HA 1 36 VAL MG2 6.000 . 6.000 3.832 3.485 4.177 . 0 0 "[ . 1 .]" 1
857 1 35 THR HB 1 36 VAL MG1 4.400 . 6.000 5.010 4.790 5.197 . 0 0 "[ . 1 .]" 1
858 1 35 THR HB 1 72 CYS HA 4.400 . 6.000 4.338 4.134 4.545 . 0 0 "[ . 1 .]" 1
859 1 39 VAL HA 1 39 VAL MG2 2.900 . 4.000 2.415 2.172 2.479 . 0 0 "[ . 1 .]" 1
860 1 39 VAL HA 1 39 VAL MG1 2.800 . 3.800 2.385 2.338 2.545 . 0 0 "[ . 1 .]" 1
861 1 42 GLU HA 1 43 GLY HA3 3.500 . 5.000 4.371 4.273 4.479 . 0 0 "[ . 1 .]" 1
862 1 41 GLU HA 1 42 GLU HA 4.200 . 6.000 4.556 4.104 5.279 . 0 0 "[ . 1 .]" 1
863 1 41 GLU QB 1 42 GLU HA 4.900 . 6.000 4.556 3.751 5.457 . 0 0 "[ . 1 .]" 1
864 1 42 GLU HA 1 44 ARG H 3.700 . 5.400 4.203 3.698 4.797 . 0 0 "[ . 1 .]" 1
865 1 43 GLY HA3 1 44 ARG H 3.000 . 4.100 2.960 2.524 3.566 . 0 0 "[ . 1 .]" 1
866 1 43 GLY HA3 1 44 ARG HA 3.600 . 5.300 4.493 4.299 4.845 . 0 0 "[ . 1 .]" 1
867 1 42 GLU QG 1 43 GLY HA3 4.100 . 6.000 4.443 3.905 5.601 . 0 0 "[ . 1 .]" 1
868 1 42 GLU QB 1 43 GLY HA3 3.300 . 6.000 4.569 4.148 4.941 . 0 0 "[ . 1 .]" 1
869 1 43 GLY HA3 1 44 ARG QG 3.900 . 5.800 5.227 3.715 6.391 0.591 3 1 "[ + . 1 .]" 1
870 1 48 GLU HA 1 49 HIS H 2.100 . 2.600 2.187 2.090 2.277 . 0 0 "[ . 1 .]" 1
871 1 39 VAL H 1 48 GLU HA 3.500 . 5.000 3.691 3.016 4.276 . 0 0 "[ . 1 .]" 1
872 1 48 GLU H 1 48 GLU HA 2.800 . 3.800 2.900 2.882 2.921 . 0 0 "[ . 1 .]" 1
873 1 38 LEU HA 1 48 GLU HA 2.200 . 2.800 2.343 1.872 2.761 . 0 0 "[ . 1 .]" 1
874 1 48 GLU HA 1 48 GLU QG 2.500 . 3.300 2.638 2.191 3.350 0.050 14 0 "[ . 1 .]" 1
875 1 48 GLU HA 1 48 GLU QB 2.300 . 2.900 2.334 2.137 2.499 . 0 0 "[ . 1 .]" 1
876 1 36 VAL MG2 1 48 GLU HA 5.000 . 6.000 5.948 5.464 6.108 0.108 10 0 "[ . 1 .]" 1
877 1 38 LEU MD1 1 48 GLU HA 2.500 . 3.300 2.624 2.123 2.911 . 0 0 "[ . 1 .]" 1
878 1 49 HIS H 1 49 HIS HA 2.900 . 4.000 2.940 2.918 2.951 . 0 0 "[ . 1 .]" 1
879 1 20 GLU H 1 49 HIS HA 5.100 . 6.000 4.024 3.567 4.423 . 0 0 "[ . 1 .]" 1
880 1 49 HIS HA 1 49 HIS HD2 3.000 . 4.100 2.406 2.248 2.634 . 0 0 "[ . 1 .]" 1
881 1 49 HIS HA 1 49 HIS QB 2.200 . 2.800 2.395 2.332 2.435 . 0 0 "[ . 1 .]" 1
882 1 20 GLU HB3 1 49 HIS HA 3.700 . 5.400 2.769 2.125 3.173 . 0 0 "[ . 1 .]" 1
883 1 48 GLU QB 1 49 HIS HA 2.800 . 6.000 4.300 4.096 4.523 . 0 0 "[ . 1 .]" 1
884 1 48 GLU HA 1 49 HIS HA 4.300 . 6.000 4.395 4.361 4.439 . 0 0 "[ . 1 .]" 1
885 1 49 HIS HA 1 50 ARG HA 4.200 . 6.000 4.414 4.384 4.485 . 0 0 "[ . 1 .]" 1
886 1 49 HIS HA 1 50 ARG QG 5.300 . 6.000 3.310 2.795 3.972 . 0 0 "[ . 1 .]" 1
887 1 37 VAL H 1 50 ARG HA 3.600 . 5.200 3.289 2.901 3.643 . 0 0 "[ . 1 .]" 1
888 1 50 ARG H 1 50 ARG HA 2.900 . 3.900 2.948 2.916 2.962 . 0 0 "[ . 1 .]" 1
889 1 23 HIS HE1 1 50 ARG HA 3.200 . 4.500 3.327 3.010 3.702 . 0 0 "[ . 1 .]" 1
890 1 36 VAL HA 1 50 ARG HA 2.500 . 3.300 2.016 1.797 2.278 . 0 0 "[ . 1 .]" 1
891 1 36 VAL MG2 1 50 ARG HA 4.200 . 6.000 4.602 4.337 4.994 . 0 0 "[ . 1 .]" 1
892 1 50 ARG HA 1 50 ARG QG 3.300 . 4.700 3.117 2.605 3.347 . 0 0 "[ . 1 .]" 1
893 1 50 ARG HA 1 50 ARG QB 2.300 . 2.900 2.200 2.145 2.309 . 0 0 "[ . 1 .]" 1
894 1 20 GLU H 1 51 GLY HA3 4.200 . 6.000 4.090 3.670 4.330 . 0 0 "[ . 1 .]" 1
895 1 20 GLU H 1 51 GLY HA2 5.400 . 6.000 4.711 4.284 4.994 . 0 0 "[ . 1 .]" 1
896 1 51 GLY HA2 1 52 CYS HA 4.000 . 6.000 4.382 4.293 4.575 . 0 0 "[ . 1 .]" 1
897 1 35 THR MG 1 52 CYS HA 4.100 . 6.000 4.476 3.606 4.995 . 0 0 "[ . 1 .]" 1
898 1 52 CYS HA 1 53 GLY HA3 5.400 . 6.000 4.413 4.367 4.455 . 0 0 "[ . 1 .]" 1
899 1 52 CYS HA 1 52 CYS HB2 2.800 . 3.800 2.493 2.356 2.736 . 0 0 "[ . 1 .]" 1
900 1 52 CYS HA 1 52 CYS HB3 2.600 . 3.500 2.440 2.270 2.619 . 0 0 "[ . 1 .]" 1
901 1 34 CYS QB 1 52 CYS HA 3.300 . 4.700 4.538 4.144 4.940 0.240 1 0 "[ . 1 .]" 1
902 1 31 GLY H 1 52 CYS HB3 3.200 . 4.500 3.256 2.406 4.474 . 0 0 "[ . 1 .]" 1
903 1 52 CYS HB3 1 53 GLY H 4.000 . 6.000 4.232 3.935 4.471 . 0 0 "[ . 1 .]" 1
904 1 52 CYS H 1 52 CYS HB3 2.700 . 3.600 2.886 2.441 3.566 . 0 0 "[ . 1 .]" 1
905 1 52 CYS HB3 1 54 ASN QD 5.700 . 6.000 4.689 3.848 5.794 . 0 0 "[ . 1 .]" 1
906 1 51 GLY HA2 1 52 CYS HB3 4.400 . 6.000 4.615 4.471 4.884 . 0 0 "[ . 1 .]" 1
907 1 29 CYS QB 1 52 CYS HB3 4.300 . 6.000 4.283 1.999 5.062 0.001 1 0 "[ . 1 .]" 1
908 1 35 THR MG 1 72 CYS HB3 4.300 . 6.000 2.249 1.724 2.704 . 0 0 "[ . 1 .]" 1
909 1 52 CYS H 1 52 CYS HB2 3.100 . 4.300 3.580 3.392 3.698 . 0 0 "[ . 1 .]" 1
910 1 52 CYS HB2 1 54 ASN QD 5.500 . 6.000 3.571 2.564 4.213 . 0 0 "[ . 1 .]" 1
911 1 31 GLY QA 1 52 CYS HB2 2.400 . 3.100 1.998 1.690 2.279 0.310 1 0 "[ . 1 .]" 1
912 1 51 GLY HA2 1 52 CYS HB2 3.800 . 6.000 5.856 5.751 5.910 . 0 0 "[ . 1 .]" 1
913 1 54 ASN HA 1 54 ASN HB2 2.900 . 3.900 2.761 2.471 3.030 . 0 0 "[ . 1 .]" 1
914 1 33 TRP H 1 54 ASN HA 5.000 . 6.000 4.180 3.143 4.653 . 0 0 "[ . 1 .]" 1
915 1 32 ALA H 1 54 ASN HA 2.800 . 3.800 2.704 1.825 3.453 . 0 0 "[ . 1 .]" 1
916 1 55 LEU QB 1 56 HIS HD2 6.000 . 6.000 4.104 2.507 5.199 . 0 0 "[ . 1 .]" 1
917 1 55 LEU HA 1 55 LEU QB 3.000 . 4.100 2.250 2.136 2.383 . 0 0 "[ . 1 .]" 1
918 1 11 ARG QB 1 55 LEU QB 3.500 . 5.000 4.036 2.297 4.675 . 0 0 "[ . 1 .]" 1
919 1 55 LEU QB 1 55 LEU HG 2.500 . 3.300 2.430 2.343 2.529 . 0 0 "[ . 1 .]" 1
920 1 55 LEU QB 1 55 LEU MD1 3.000 . 4.200 2.172 2.088 2.282 . 0 0 "[ . 1 .]" 1
921 1 55 LEU QB 1 55 LEU MD2 2.900 . 3.900 2.144 2.065 2.328 . 0 0 "[ . 1 .]" 1
922 1 57 ARG HA 1 60 CYS H 4.000 . 6.000 4.055 3.491 4.628 . 0 0 "[ . 1 .]" 1
923 1 33 TRP HZ2 1 57 ARG HA 3.100 . 4.300 2.906 2.171 3.678 . 0 0 "[ . 1 .]" 1
924 1 57 ARG HA 1 57 ARG HD3 2.800 . 3.800 2.820 2.069 4.127 0.327 9 0 "[ . 1 .]" 1
925 1 57 ARG HA 1 57 ARG HD2 3.000 . 4.200 2.985 1.943 3.855 . 0 0 "[ . 1 .]" 1
926 1 57 ARG HA 1 57 ARG HB3 3.000 . 4.100 3.006 2.846 3.029 . 0 0 "[ . 1 .]" 1
927 1 57 ARG HA 1 57 ARG HB2 2.500 . 3.300 2.553 2.403 2.852 . 0 0 "[ . 1 .]" 1
928 1 57 ARG HA 1 57 ARG HG3 3.200 . 4.500 3.182 2.729 3.622 . 0 0 "[ . 1 .]" 1
929 1 57 ARG HA 1 57 ARG HG2 3.200 . 4.500 3.387 2.280 3.873 . 0 0 "[ . 1 .]" 1
930 1 58 GLU H 1 58 GLU HA 2.800 . 3.800 2.790 2.712 2.854 . 0 0 "[ . 1 .]" 1
931 1 58 GLU HA 1 60 CYS H 3.200 . 4.400 3.454 3.134 3.769 . 0 0 "[ . 1 .]" 1
932 1 58 GLU HA 1 59 LEU H 3.300 . 4.700 3.461 3.342 3.552 . 0 0 "[ . 1 .]" 1
933 1 58 GLU HA 1 58 GLU HG2 3.300 . 4.700 3.624 3.256 3.886 . 0 0 "[ . 1 .]" 1
934 1 59 LEU HA 1 60 CYS H 3.600 . 5.200 3.176 2.914 3.322 . 0 0 "[ . 1 .]" 1
935 1 59 LEU HA 1 59 LEU HG 3.500 . 5.000 3.195 3.044 3.643 . 0 0 "[ . 1 .]" 1
936 1 59 LEU HA 1 59 LEU HB3 2.700 . 3.600 2.439 2.264 2.503 . 0 0 "[ . 1 .]" 1
937 1 60 CYS HA 1 60 CYS QB 2.400 . 6.000 2.407 2.329 2.494 . 0 0 "[ . 1 .]" 1
938 1 60 CYS HA 1 70 HIS HD2 3.500 . 5.000 4.150 2.044 4.897 . 0 0 "[ . 1 .]" 1
939 1 65 THR HA 1 66 GLU H 3.200 . 4.500 3.177 2.256 3.574 . 0 0 "[ . 1 .]" 1
940 1 65 THR H 1 65 THR HA 3.000 . 4.100 2.851 2.244 2.938 . 0 0 "[ . 1 .]" 1
941 1 66 GLU HA 1 68 VAL H 3.700 . 5.400 4.130 2.992 5.286 . 0 0 "[ . 1 .]" 1
942 1 69 ASN HA 1 86 LEU QD 2.900 . 6.000 3.767 2.053 4.732 . 0 0 "[ . 1 .]" 1
943 1 68 VAL MG1 1 69 ASN HA 2.600 . 6.000 4.056 3.014 5.359 . 0 0 "[ . 1 .]" 1
944 1 38 LEU H 1 70 HIS HA 3.800 . 5.600 4.597 3.983 5.216 . 0 0 "[ . 1 .]" 1
945 1 37 VAL HA 1 70 HIS HA 2.500 . 3.300 2.784 2.290 3.214 . 0 0 "[ . 1 .]" 1
946 1 70 HIS HA 1 70 HIS QB 2.600 . 3.400 2.261 2.142 2.500 . 0 0 "[ . 1 .]" 1
947 1 71 TYR HA 1 72 CYS HA 5.300 . 6.000 4.414 4.367 4.473 . 0 0 "[ . 1 .]" 1
948 1 72 CYS HA 1 73 CYS HA 5.900 . 6.000 4.430 4.354 4.510 . 0 0 "[ . 1 .]" 1
949 1 72 CYS HA 1 73 CYS HB3 5.600 . 6.000 5.111 4.535 5.693 . 0 0 "[ . 1 .]" 1
950 1 72 CYS HA 1 72 CYS HB3 2.400 . 3.100 2.313 2.210 2.427 . 0 0 "[ . 1 .]" 1
951 1 35 THR MG 1 72 CYS HA 3.200 . 4.500 2.641 2.346 2.924 . 0 0 "[ . 1 .]" 1
952 1 72 CYS H 1 72 CYS HB2 3.100 . 4.300 3.280 2.854 3.806 . 0 0 "[ . 1 .]" 1
953 1 33 TRP HZ2 1 72 CYS HB2 4.000 . 6.000 5.362 4.474 6.443 0.443 6 0 "[ . 1 .]" 1
954 1 71 TYR HA 1 72 CYS HB2 3.300 . 6.000 5.208 4.770 5.704 . 0 0 "[ . 1 .]" 1
955 1 60 CYS HA 1 72 CYS HB2 3.200 . 6.000 5.295 3.410 6.495 0.495 2 0 "[ . 1 .]" 1
956 1 33 TRP HB3 1 72 CYS HB2 5.500 . 6.000 5.740 4.663 6.515 0.515 12 2 "[ .- 1 + .]" 1
957 1 33 TRP HB2 1 72 CYS HB2 5.400 . 6.000 4.602 3.566 5.295 . 0 0 "[ . 1 .]" 1
958 1 73 CYS H 1 73 CYS HB2 3.600 . 5.200 2.889 2.355 3.990 . 0 0 "[ . 1 .]" 1
959 1 73 CYS HB2 1 75 SER H 4.700 . 6.000 3.961 2.990 5.277 . 0 0 "[ . 1 .]" 1
960 1 71 TYR QE 1 73 CYS HB2 3.100 . 4.300 3.732 2.658 4.723 0.423 7 0 "[ . 1 .]" 1
961 1 73 CYS HB2 1 74 ASP HA 5.200 . 6.000 5.242 4.403 5.823 . 0 0 "[ . 1 .]" 1
962 1 73 CYS HA 1 73 CYS HB2 2.700 . 3.600 2.758 2.496 3.033 . 0 0 "[ . 1 .]" 1
963 1 73 CYS HB2 1 78 CYS HB3 3.500 . 5.000 2.984 2.056 4.148 . 0 0 "[ . 1 .]" 1
964 1 34 CYS H 1 74 ASP HA 3.800 . 5.600 3.875 3.210 4.672 . 0 0 "[ . 1 .]" 1
965 1 15 VAL MG2 1 74 ASP HA 2.700 . 6.000 3.779 2.790 4.380 . 0 0 "[ . 1 .]" 1
966 1 74 ASP HA 1 74 ASP HB2 2.600 . 3.400 2.689 2.393 3.032 . 0 0 "[ . 1 .]" 1
967 1 74 ASP HA 1 74 ASP HB3 2.500 . 3.300 2.708 2.424 3.030 . 0 0 "[ . 1 .]" 1
968 1 33 TRP HB3 1 74 ASP HA 3.100 . 4.300 3.047 2.242 3.840 . 0 0 "[ . 1 .]" 1
969 1 33 TRP HB2 1 74 ASP HA 3.100 . 4.300 2.928 2.273 3.940 . 0 0 "[ . 1 .]" 1
970 1 34 CYS HB2 1 74 ASP HA 4.300 . 6.000 5.421 4.721 6.016 0.016 14 0 "[ . 1 .]" 1
971 1 74 ASP HA 1 75 SER HA 3.800 . 5.600 4.430 4.272 4.549 . 0 0 "[ . 1 .]" 1
972 1 15 VAL MG2 1 75 SER HA 2.600 . 3.500 3.467 2.907 4.188 0.688 4 1 "[ +. 1 .]" 1
973 1 75 SER HA 1 75 SER HB2 2.600 . 3.400 2.805 2.498 3.037 . 0 0 "[ . 1 .]" 1
974 1 75 SER HA 1 76 HIS H 2.400 . 3.100 2.280 2.192 2.412 . 0 0 "[ . 1 .]" 1
975 1 15 VAL QG 1 75 SER HB3 4.700 . 6.000 4.618 4.317 4.819 . 0 0 "[ . 1 .]" 1
976 1 75 SER H 1 75 SER HB3 3.600 . 5.200 3.616 2.875 3.992 . 0 0 "[ . 1 .]" 1
977 1 15 VAL QG 1 75 SER HB2 3.900 . 5.800 4.551 4.377 4.829 . 0 0 "[ . 1 .]" 1
978 1 75 SER HB2 1 76 HIS HB3 4.700 . 6.000 6.061 5.062 6.780 0.780 2 3 "[ + . -*1 .]" 1
979 1 77 LEU HA 1 77 LEU QB 2.600 . 3.400 2.339 2.313 2.378 . 0 0 "[ . 1 .]" 1
980 1 17 CYS HA 1 77 LEU HA 2.700 . 3.600 2.443 2.165 2.717 . 0 0 "[ . 1 .]" 1
981 1 76 HIS HA 1 77 LEU HA 5.600 . 6.000 4.370 4.315 4.398 . 0 0 "[ . 1 .]" 1
982 1 77 LEU HA 1 78 CYS H 4.000 . 6.000 2.731 2.589 2.932 . 0 0 "[ . 1 .]" 1
983 1 78 CYS HA 1 78 CYS HB3 2.700 . 3.600 3.028 3.018 3.035 . 0 0 "[ . 1 .]" 1
984 1 78 CYS H 1 78 CYS HB2 2.800 . 3.800 2.882 2.741 2.981 . 0 0 "[ . 1 .]" 1
985 1 78 CYS HA 1 78 CYS HB2 2.400 . 3.100 2.436 2.383 2.484 . 0 0 "[ . 1 .]" 1
986 1 73 CYS HB3 1 78 CYS HB2 3.800 . 6.000 3.387 2.562 5.388 . 0 0 "[ . 1 .]" 1
987 1 75 SER HB2 1 78 CYS HB2 3.800 . 5.600 3.053 1.740 4.996 0.260 4 0 "[ . 1 .]" 1
988 1 79 ASN HA 1 82 VAL MG2 4.200 . 6.000 3.277 2.862 3.502 . 0 0 "[ . 1 .]" 1
989 1 36 VAL MG1 1 79 ASN HA 3.000 . 4.100 2.921 2.433 3.496 . 0 0 "[ . 1 .]" 1
990 1 79 ASN HA 1 82 VAL HB 2.700 . 3.600 1.878 1.744 2.119 0.056 4 0 "[ . 1 .]" 1
991 1 79 ASN HA 1 79 ASN HB3 2.400 . 3.100 2.505 2.443 2.603 . 0 0 "[ . 1 .]" 1
992 1 34 CYS QB 1 79 ASN HA 3.200 . 4.500 3.897 3.422 4.135 . 0 0 "[ . 1 .]" 1
993 1 79 ASN H 1 79 ASN HA 2.800 . 3.800 2.875 2.842 2.907 . 0 0 "[ . 1 .]" 1
994 1 80 HIS HA 1 81 ASN H 3.000 . 4.100 3.358 3.002 3.516 . 0 0 "[ . 1 .]" 1
995 1 80 HIS H 1 80 HIS HA 2.800 . 3.800 2.824 2.711 2.897 . 0 0 "[ . 1 .]" 1
996 1 80 HIS HA 1 80 HIS HD2 4.800 . 6.000 3.862 2.508 4.789 . 0 0 "[ . 1 .]" 1
997 1 18 THR MG 1 80 HIS HA 3.200 . 4.500 3.225 3.004 3.580 . 0 0 "[ . 1 .]" 1
998 1 80 HIS HA 1 80 HIS HB3 2.700 . 3.600 3.022 3.009 3.028 . 0 0 "[ . 1 .]" 1
999 1 80 HIS HA 1 80 HIS HB2 2.400 . 3.100 2.453 2.360 2.537 . 0 0 "[ . 1 .]" 1
1000 1 18 THR HB 1 80 HIS HA 2.700 . 3.600 2.751 2.043 3.268 . 0 0 "[ . 1 .]" 1
1001 1 82 VAL HA 1 82 VAL HB 2.700 . 3.600 2.505 2.435 2.595 . 0 0 "[ . 1 .]" 1
1002 1 81 ASN HB3 1 82 VAL HA 5.000 . 6.000 5.494 4.666 5.946 . 0 0 "[ . 1 .]" 1
1003 1 83 SER HA 1 83 SER QB 2.500 . 3.300 2.301 2.143 2.405 . 0 0 "[ . 1 .]" 1
1004 1 83 SER QB 1 85 VAL QG 3.300 . 4.700 3.040 2.038 4.175 . 0 0 "[ . 1 .]" 1
1005 1 83 SER QB 1 84 LEU QB 4.000 . 5.600 4.969 4.688 5.166 . 0 0 "[ . 1 .]" 1
1006 1 83 SER QB 1 92 PRO QG 3.600 . 5.300 3.343 1.970 4.717 0.030 3 0 "[ . 1 .]" 1
1007 1 84 LEU HA 1 84 LEU HG 3.100 . 4.300 3.406 2.744 4.262 . 0 0 "[ . 1 .]" 1
1008 1 84 LEU HA 1 84 LEU QB 2.500 . 3.300 2.343 2.127 2.528 . 0 0 "[ . 1 .]" 1
1009 1 84 LEU QB 1 85 VAL HA 2.800 . 6.000 4.414 3.793 4.876 . 0 0 "[ . 1 .]" 1
1010 1 86 LEU HA 1 86 LEU QD 2.800 . 3.800 2.201 1.855 3.275 . 0 0 "[ . 1 .]" 1
1011 1 87 GLU H 1 87 GLU HA 2.700 . 3.600 2.807 2.245 2.952 . 0 0 "[ . 1 .]" 1
1012 1 87 GLU HA 1 87 GLU QG 2.900 . 4.000 2.647 2.194 3.083 . 0 0 "[ . 1 .]" 1
1013 1 87 GLU HA 1 88 ALA MB 4.100 . 6.000 4.217 3.829 4.669 . 0 0 "[ . 1 .]" 1
1014 1 88 ALA MB 1 89 THR HA 3.200 . 4.500 4.284 3.850 4.786 0.286 15 0 "[ . 1 .]" 1
1015 1 89 THR HA 1 92 PRO QG 3.500 . 6.000 4.800 2.747 5.220 . 0 0 "[ . 1 .]" 1
1016 1 89 THR H 1 89 THR HA 3.000 . 4.100 2.756 2.239 2.944 . 0 0 "[ . 1 .]" 1
1017 1 89 THR HB 1 90 GLN QG 4.300 . 6.000 5.073 3.263 6.065 0.065 2 0 "[ . 1 .]" 1
1018 1 89 THR HB 1 90 GLN H 3.400 . 4.800 4.306 3.857 4.541 . 0 0 "[ . 1 .]" 1
1019 1 14 LEU HB3 1 15 VAL H 3.300 . 4.600 3.726 3.193 4.084 . 0 0 "[ . 1 .]" 1
1020 1 14 LEU HA 1 14 LEU HB3 2.800 . 3.800 2.571 2.410 3.013 . 0 0 "[ . 1 .]" 1
1021 1 14 LEU HB3 1 14 LEU QD 2.800 . 2.800 2.144 2.111 2.283 . 0 0 "[ . 1 .]" 1
1022 1 14 LEU HB2 1 14 LEU QD 2.800 . 3.800 2.278 2.112 2.435 . 0 0 "[ . 1 .]" 1
1023 1 38 LEU HB3 1 69 ASN QB 3.400 . 4.100 3.093 1.857 3.880 0.043 5 0 "[ . 1 .]" 1
1024 1 38 LEU HB3 1 38 LEU MD2 2.600 . 3.400 2.245 2.164 2.302 . 0 0 "[ . 1 .]" 1
1025 1 38 LEU HA 1 38 LEU HB2 2.900 . 3.900 2.440 2.393 2.495 . 0 0 "[ . 1 .]" 1
1026 1 83 SER QB 1 84 LEU QD 5.600 . 6.000 4.549 3.948 5.097 . 0 0 "[ . 1 .]" 1
1027 1 82 VAL MG2 1 83 SER QB 6.000 . 6.000 3.840 3.432 4.254 . 0 0 "[ . 1 .]" 1
1028 1 22 PRO QD 1 23 HIS HE1 6.000 . 6.000 5.000 4.726 5.318 . 0 0 "[ . 1 .]" 1
1029 1 22 PRO QD 1 23 HIS H 6.000 . 6.000 2.085 1.707 2.829 0.293 9 0 "[ . 1 .]" 1
1030 1 22 PRO QD 1 23 HIS HA 4.500 . 6.000 4.162 4.026 4.292 . 0 0 "[ . 1 .]" 1
1031 1 19 CYS QB 1 22 PRO QD 2.400 . 6.000 3.265 2.990 3.795 . 0 0 "[ . 1 .]" 1
1032 1 22 PRO QD 1 24 CYS QB 3.100 . 4.300 2.675 1.909 3.028 . 0 0 "[ . 1 .]" 1
1033 1 22 PRO HB2 1 22 PRO QD 4.000 . 6.000 3.153 2.956 3.341 . 0 0 "[ . 1 .]" 1
1034 1 22 PRO QD 1 22 PRO HG2 2.400 . 3.100 2.188 2.161 2.204 . 0 0 "[ . 1 .]" 1
1035 1 22 PRO HB3 1 22 PRO QD 4.300 . 6.000 3.447 3.391 3.474 . 0 0 "[ . 1 .]" 1
1036 1 20 GLU HB3 1 22 PRO QD 5.000 . 6.000 4.249 4.113 4.585 . 0 0 "[ . 1 .]" 1
1037 1 22 PRO QD 1 23 HIS HD2 6.000 . 6.000 5.704 4.112 5.879 . 0 0 "[ . 1 .]" 1
1038 1 25 LYS HA 1 27 PRO HD3 3.400 . 4.800 4.803 4.124 5.566 0.766 9 3 "[ - .* +1 .]" 1
1039 1 26 GLY HA2 1 27 PRO HD3 2.500 . 3.300 3.428 2.426 4.040 0.740 9 2 "[ - . +1 .]" 1
1040 1 22 PRO QD 1 27 PRO HD3 3.400 . 6.000 5.767 5.054 6.542 0.542 6 2 "[ .+ 1 - .]" 1
1041 1 25 LYS HB2 1 27 PRO HD3 5.100 . 6.000 5.117 3.073 6.665 0.665 15 3 "[ . -* +]" 1
1042 1 27 PRO HD3 1 27 PRO QG 2.500 . 6.000 2.201 2.179 2.217 . 0 0 "[ . 1 .]" 1
1043 1 27 PRO HD2 1 28 THR H 3.300 . 4.700 3.416 2.179 4.269 . 0 0 "[ . 1 .]" 1
1044 1 46 PRO HA 1 46 PRO QD 3.200 . 4.500 3.408 3.140 3.546 . 0 0 "[ . 1 .]" 1
1045 1 41 GLU HA 1 46 PRO QD 4.000 . 6.000 4.744 2.928 6.922 0.922 12 1 "[ . 1 + .]" 1
1046 1 46 PRO HB2 1 46 PRO QD 3.300 . 4.600 3.259 2.847 3.567 . 0 0 "[ . 1 .]" 1
1047 1 41 GLU HG2 1 46 PRO QD 3.100 . 6.000 4.959 2.266 6.677 0.677 2 1 "[ + . 1 .]" 1
1048 1 46 PRO QD 1 47 GLN QG 3.900 . 5.800 4.511 3.718 5.455 . 0 0 "[ . 1 .]" 1
1049 1 38 LEU MD1 1 46 PRO QD 2.700 . 6.000 4.858 4.355 5.413 . 0 0 "[ . 1 .]" 1
1050 1 44 ARG QG 1 46 PRO QD 4.000 . 6.000 5.042 3.548 5.662 . 0 0 "[ . 1 .]" 1
1051 1 45 HIS HA 1 46 PRO QD 2.400 . 2.900 2.085 1.773 2.527 . 0 0 "[ . 1 .]" 1
1052 1 16 THR HA 1 30 ARG QD 2.600 . 6.000 5.259 4.544 5.980 . 0 0 "[ . 1 .]" 1
1053 1 30 ARG HA 1 30 ARG QD 3.600 . 5.200 4.118 3.849 4.579 . 0 0 "[ . 1 .]" 1
1054 1 14 LEU QD 1 30 ARG QD 2.900 . 4.000 2.494 1.770 3.488 0.030 8 0 "[ . 1 .]" 1
1055 1 16 THR MG 1 30 ARG QD 2.600 . 6.000 5.034 4.380 5.855 . 0 0 "[ . 1 .]" 1
1056 1 56 HIS HA 1 56 HIS HB3 2.900 . 3.900 2.519 2.425 2.607 . 0 0 "[ . 1 .]" 1
1057 1 56 HIS HA 1 56 HIS HB2 2.900 . 3.900 3.018 3.001 3.029 . 0 0 "[ . 1 .]" 1
1058 1 62 GLY HA3 1 63 ARG HB2 6.000 . 6.000 5.019 4.320 6.448 0.448 1 0 "[ . 1 .]" 1
1059 1 54 ASN HA 1 54 ASN HB3 2.500 . 3.300 2.608 2.303 3.007 . 0 0 "[ . 1 .]" 1
1060 1 15 VAL HA 1 15 VAL HB 2.400 . 3.100 2.976 2.279 3.032 . 0 0 "[ . 1 .]" 1
1061 1 90 GLN HA 1 90 GLN QG 2.800 . 3.800 2.687 2.272 3.439 . 0 0 "[ . 1 .]" 1
1062 1 85 VAL H 1 85 VAL HB 2.800 . 3.800 3.092 2.200 3.927 0.127 2 0 "[ . 1 .]" 1
1063 1 27 PRO HA 1 27 PRO QB . . 4.000 2.184 2.134 2.272 . 0 0 "[ . 1 .]" 1
1064 1 46 PRO HA 1 46 PRO HB3 2.800 . 3.800 2.289 2.235 2.348 . 0 0 "[ . 1 .]" 1
1065 1 44 ARG HA 1 44 ARG QB 4.200 . 5.400 2.324 2.150 2.496 . 0 0 "[ . 1 .]" 1
1066 1 8 LYS HA 1 8 LYS QB 2.500 . 6.000 2.366 2.162 2.529 . 0 0 "[ . 1 .]" 1
1067 1 25 LYS HA 1 25 LYS HB3 2.400 . 3.100 2.728 2.441 3.021 . 0 0 "[ . 1 .]" 1
1068 1 19 CYS QB 1 22 PRO HB2 5.200 . 6.000 5.493 4.379 5.808 . 0 0 "[ . 1 .]" 1
1069 1 96 PRO HA 1 96 PRO HB3 2.600 . 3.500 2.296 2.256 2.355 . 0 0 "[ . 1 .]" 1
1070 1 76 HIS HA 1 76 HIS QB 3.500 . 5.000 2.202 2.174 2.351 . 0 0 "[ . 1 .]" 1
1071 1 40 ARG HA 1 40 ARG QB 3.300 . 3.800 2.417 2.319 2.534 . 0 0 "[ . 1 .]" 1
1072 1 90 GLN H 1 90 GLN HB3 3.900 . 5.800 3.622 3.105 3.954 . 0 0 "[ . 1 .]" 1
1073 1 92 PRO HD2 1 92 PRO HG2 1.700 . 2.200 2.256 2.229 2.298 0.098 11 0 "[ . 1 .]" 1
1074 1 92 PRO HD3 1 92 PRO HG3 1.700 . 2.200 2.256 2.231 2.293 0.093 11 0 "[ . 1 .]" 1
1075 1 61 ARG HA 1 61 ARG QG 3.700 . 5.400 2.845 2.367 3.357 . 0 0 "[ . 1 .]" 1
1076 1 38 LEU HA 1 38 LEU MD1 3.200 . 4.500 2.219 2.045 2.454 . 0 0 "[ . 1 .]" 1
1077 1 36 VAL HA 1 36 VAL MG1 3.200 . 4.400 2.393 2.265 2.568 . 0 0 "[ . 1 .]" 1
1078 1 36 VAL MG1 1 79 ASN HB3 2.400 . 3.100 2.282 1.751 2.643 . 0 0 "[ . 1 .]" 1
1079 1 55 LEU HA 1 55 LEU MD2 3.300 . 4.600 3.231 1.923 4.058 0.077 4 0 "[ . 1 .]" 1
1080 1 35 THR HB 1 35 THR MG 2.300 . 2.900 2.132 2.128 2.136 . 0 0 "[ . 1 .]" 1
1081 1 23 HIS HD2 1 35 THR MG 4.700 . 6.000 5.176 4.893 6.091 0.091 5 0 "[ . 1 .]" 1
1082 1 14 LEU HA 1 14 LEU QD 2.600 . 3.500 1.919 1.803 1.992 . 0 0 "[ . 1 .]" 1
1083 1 13 PRO HA 1 14 LEU QD 2.200 . 6.000 4.376 3.507 5.145 . 0 0 "[ . 1 .]" 1
1084 1 77 LEU HA 1 77 LEU QD 2.900 . 3.900 2.027 1.907 2.108 . 0 0 "[ . 1 .]" 1
1085 1 59 LEU HA 1 59 LEU MD2 2.700 . 3.600 2.275 1.891 4.064 0.464 6 0 "[ . 1 .]" 1
1086 1 84 LEU HA 1 84 LEU QD 2.600 . 3.400 2.430 1.760 3.400 0.140 5 0 "[ . 1 .]" 1
1087 1 15 VAL MG2 1 52 CYS HA 4.200 . 6.000 5.888 3.998 6.084 0.084 12 0 "[ . 1 .]" 1
1088 1 65 THR HB 1 65 THR MG 2.100 . 2.700 2.127 2.093 2.140 . 0 0 "[ . 1 .]" 1
1089 1 16 THR HB 1 16 THR MG 2.000 . 2.500 2.134 2.127 2.140 . 0 0 "[ . 1 .]" 1
1090 1 15 VAL MG2 1 16 THR H 3.800 . 5.600 4.045 3.367 4.181 . 0 0 "[ . 1 .]" 1
1091 1 15 VAL HA 1 15 VAL MG2 2.400 . 3.100 2.402 2.265 3.162 0.062 4 0 "[ . 1 .]" 1
1092 1 98 THR H 1 98 THR MG 4.400 . 6.000 3.259 1.970 4.095 0.030 12 0 "[ . 1 .]" 1
1093 1 98 THR HA 1 98 THR MG 3.300 . 4.700 2.503 2.210 3.221 . 0 0 "[ . 1 .]" 1
1094 1 67 PHE HA 1 68 VAL MG1 3.900 . 6.000 4.595 3.488 5.719 . 0 0 "[ . 1 .]" 1
1095 1 68 VAL MG2 1 69 ASN HA 4.500 . 6.000 3.934 2.884 5.244 . 0 0 "[ . 1 .]" 1
1096 1 36 VAL MG2 1 71 TYR H 2.700 . 3.600 2.328 2.079 2.744 . 0 0 "[ . 1 .]" 1
1097 1 36 VAL HA 1 36 VAL MG2 2.900 . 4.000 3.202 3.185 3.225 . 0 0 "[ . 1 .]" 1
1098 1 82 VAL MG1 1 85 VAL H 4.900 . 6.000 5.509 4.349 6.067 0.067 11 0 "[ . 1 .]" 1
1099 1 71 TYR QE 1 82 VAL MG1 2.400 . 6.000 5.410 5.058 6.010 0.010 5 0 "[ . 1 .]" 1
1100 1 82 VAL HA 1 82 VAL MG1 2.600 . 3.400 3.199 3.185 3.211 . 0 0 "[ . 1 .]" 1
1101 1 66 GLU H 1 68 VAL MG1 3.300 . 4.700 4.064 2.780 5.334 0.634 7 1 "[ . + 1 .]" 1
1102 1 68 VAL HA 1 68 VAL MG2 2.400 . 3.100 2.449 2.177 3.184 0.084 11 0 "[ . 1 .]" 1
1103 1 7 VAL HA 1 7 VAL MG2 4.000 . 6.000 2.916 2.307 3.235 . 0 0 "[ . 1 .]" 1
1104 1 37 VAL H 1 82 VAL MG1 5.100 . 6.000 5.057 4.715 5.497 . 0 0 "[ . 1 .]" 1
1105 1 37 VAL QG 1 50 ARG HA 3.300 . 6.000 3.567 2.754 3.819 . 0 0 "[ . 1 .]" 1
1106 1 7 VAL HA 1 7 VAL MG1 3.800 . 5.600 2.369 2.187 3.220 . 0 0 "[ . 1 .]" 1
1107 1 39 VAL MG1 1 41 GLU H 3.100 . 6.000 3.912 2.146 5.366 . 0 0 "[ . 1 .]" 1
1108 1 37 VAL HA 1 37 VAL QG 2.900 . 3.800 2.102 2.063 2.131 . 0 0 "[ . 1 .]" 1
1109 1 15 VAL H 1 15 VAL MG1 3.100 . 4.300 3.669 2.051 3.887 . 0 0 "[ . 1 .]" 1
1110 1 15 VAL HA 1 15 VAL MG1 2.600 . 6.000 2.477 2.413 2.651 . 0 0 "[ . 1 .]" 1
1111 1 15 VAL MG1 1 33 TRP HA 3.000 . 4.100 2.333 1.965 2.965 . 0 0 "[ . 1 .]" 1
1112 1 85 VAL HA 1 85 VAL QG 2.900 . 6.000 2.281 2.115 2.460 . 0 0 "[ . 1 .]" 1
1113 1 82 VAL MG2 1 94 GLU H 3.400 . 6.000 5.127 4.578 5.606 . 0 0 "[ . 1 .]" 1
1114 1 82 VAL HA 1 82 VAL MG2 2.700 . 3.600 2.337 2.255 2.444 . 0 0 "[ . 1 .]" 1
1115 1 32 ALA MB 1 33 TRP HD1 2.500 . 3.300 3.242 2.329 3.416 0.116 6 0 "[ . 1 .]" 1
1116 1 33 TRP HE1 1 53 GLY HA2 3.300 . 4.600 4.352 3.882 4.719 0.119 12 0 "[ . 1 .]" 1
1117 1 53 GLY H 1 53 GLY HA2 2.800 . 3.800 2.893 2.826 2.952 . 0 0 "[ . 1 .]" 1
1118 1 53 GLY HA2 1 54 ASN H 3.100 . 4.300 3.007 2.174 3.554 . 0 0 "[ . 1 .]" 1
1119 1 23 HIS HA 1 53 GLY HA2 3.900 . 6.000 5.998 5.494 6.091 0.091 13 0 "[ . 1 .]" 1
1120 1 52 CYS HB2 1 53 GLY HA2 4.600 . 6.000 4.977 4.644 5.361 . 0 0 "[ . 1 .]" 1
1121 1 35 THR MG 1 53 GLY HA2 3.000 . 4.100 3.628 3.146 4.110 0.010 13 0 "[ . 1 .]" 1
1122 1 33 TRP HZ2 1 53 GLY HA3 5.800 . 6.000 5.290 4.860 5.671 . 0 0 "[ . 1 .]" 1
1123 1 35 THR MG 1 53 GLY HA3 3.700 . 5.400 2.629 2.063 3.381 . 0 0 "[ . 1 .]" 1
1124 1 41 GLU QG 1 42 GLU H 3.400 . 4.800 3.299 1.948 4.471 0.052 10 0 "[ . 1 .]" 1
1125 1 15 VAL H 1 15 VAL HB 2.500 . 3.300 2.625 2.411 3.670 0.370 4 0 "[ . 1 .]" 1
1126 1 15 VAL HB 1 15 VAL QG 2.100 . 2.600 1.892 1.886 1.895 . 0 0 "[ . 1 .]" 1
1127 1 47 GLN H 1 47 GLN HB3 3.900 . 5.800 3.741 3.062 3.879 . 0 0 "[ . 1 .]" 1
1128 1 47 GLN HB3 1 48 GLU H 3.000 . 4.100 3.414 3.076 4.232 0.132 13 0 "[ . 1 .]" 1
1129 1 7 VAL HA 1 7 VAL HB 3.000 . 4.100 2.675 2.449 3.030 . 0 0 "[ . 1 .]" 1
1130 1 47 GLN HB2 1 48 GLU H 3.900 . 5.800 4.134 3.433 4.429 . 0 0 "[ . 1 .]" 1
1131 1 8 LYS QB 1 10 SER QB 4.700 . 6.000 4.759 2.399 5.543 . 0 0 "[ . 1 .]" 1
1132 1 44 ARG QB 1 44 ARG QD 3.200 . 4.500 2.420 2.082 2.882 . 0 0 "[ . 1 .]" 1
1133 1 14 LEU QD 1 32 ALA H 4.000 . 6.000 4.795 4.242 4.926 . 0 0 "[ . 1 .]" 1
1134 1 15 VAL HB 1 77 LEU H 6.000 . 6.000 5.800 4.247 6.021 0.021 3 0 "[ . 1 .]" 1
1135 1 15 VAL HB 1 15 VAL MG2 2.300 . 3.000 2.124 2.119 2.130 . 0 0 "[ . 1 .]" 1
1136 1 17 CYS HB3 1 23 HIS HE1 4.200 . 6.000 5.519 5.043 6.103 0.103 13 0 "[ . 1 .]" 1
1137 1 17 CYS HA 1 17 CYS HB3 2.600 . 3.400 2.609 2.360 2.941 . 0 0 "[ . 1 .]" 1
1138 1 17 CYS HB2 1 23 HIS HE1 4.200 . 6.000 5.457 4.785 6.116 0.116 5 0 "[ . 1 .]" 1
1139 1 17 CYS HA 1 17 CYS HB2 2.900 . 3.900 2.945 2.752 3.030 . 0 0 "[ . 1 .]" 1
1140 1 17 CYS HB2 1 34 CYS QB 4.500 . 6.000 3.965 3.427 4.430 . 0 0 "[ . 1 .]" 1
1141 1 18 THR MG 1 50 ARG QD 2.900 . 3.900 3.022 2.208 3.573 . 0 0 "[ . 1 .]" 1
1142 1 18 THR MG 1 20 GLU HB2 2.500 . 3.300 3.340 3.132 3.428 0.128 9 0 "[ . 1 .]" 1
1143 1 19 CYS QB 1 29 CYS H 4.600 . 5.400 3.318 2.652 3.822 . 0 0 "[ . 1 .]" 1
1144 1 19 CYS H 1 19 CYS QB 3.100 . 3.800 2.478 2.065 2.807 . 0 0 "[ . 1 .]" 1
1145 1 19 CYS QB 1 27 PRO HA 3.400 . 4.800 3.930 2.523 4.556 . 0 0 "[ . 1 .]" 1
1146 1 19 CYS QB 1 28 THR HB 6.000 . 6.000 4.399 3.882 5.455 . 0 0 "[ . 1 .]" 1
1147 1 18 THR HA 1 19 CYS QB 4.900 . 6.000 4.021 3.865 4.225 . 0 0 "[ . 1 .]" 1
1148 1 19 CYS QB 1 24 CYS QB 3.400 . 4.800 2.147 1.889 2.750 0.111 5 0 "[ . 1 .]" 1
1149 1 19 CYS QB 1 26 GLY H 5.700 . 6.000 3.620 3.215 4.184 . 0 0 "[ . 1 .]" 1
1150 1 18 THR MG 1 19 CYS QB 4.600 . 6.000 4.399 4.137 4.779 . 0 0 "[ . 1 .]" 1
1151 1 19 CYS QB 1 28 THR MG 6.000 . 6.000 3.665 3.262 4.581 . 0 0 "[ . 1 .]" 1
1152 1 22 PRO HG3 1 49 HIS HD2 6.000 . 6.000 5.275 4.914 5.928 . 0 0 "[ . 1 .]" 1
1153 1 22 PRO QD 1 22 PRO HG3 2.300 . 3.000 2.232 2.182 2.260 . 0 0 "[ . 1 .]" 1
1154 1 21 SER HA 1 22 PRO HG3 4.600 . 6.000 5.025 4.721 5.195 . 0 0 "[ . 1 .]" 1
1155 1 22 PRO HB3 1 23 HIS HD2 4.700 . 6.000 5.229 4.646 6.024 0.024 5 0 "[ . 1 .]" 1
1156 1 23 HIS H 1 23 HIS HB3 3.900 . 5.800 3.573 2.870 3.759 . 0 0 "[ . 1 .]" 1
1157 1 23 HIS HB3 1 23 HIS HD2 3.500 . 5.000 2.946 2.752 3.903 . 0 0 "[ . 1 .]" 1
1158 1 33 TRP HB2 1 52 CYS HA 4.300 . 6.000 5.741 5.478 5.951 . 0 0 "[ . 1 .]" 1
1159 1 15 VAL QG 1 33 TRP HB2 4.000 . 6.000 3.616 3.394 4.056 . 0 0 "[ . 1 .]" 1
1160 1 33 TRP HA 1 33 TRP HB2 2.300 . 3.000 2.531 2.460 2.589 . 0 0 "[ . 1 .]" 1
1161 1 23 HIS H 1 23 HIS HB2 3.500 . 5.000 3.057 2.814 3.558 . 0 0 "[ . 1 .]" 1
1162 1 23 HIS HB2 1 23 HIS HD2 3.900 . 5.800 3.740 2.655 3.928 . 0 0 "[ . 1 .]" 1
1163 1 27 PRO QB 1 28 THR MG 2.900 . 6.000 3.364 3.111 3.777 . 0 0 "[ . 1 .]" 1
1164 1 27 PRO QB 1 27 PRO HD2 3.900 . 5.800 3.310 2.961 3.528 . 0 0 "[ . 1 .]" 1
1165 1 30 ARG HB3 1 31 GLY H 3.300 . 4.700 3.536 2.455 4.362 . 0 0 "[ . 1 .]" 1
1166 1 30 ARG H 1 30 ARG HB3 3.300 . 4.700 3.481 2.900 3.703 . 0 0 "[ . 1 .]" 1
1167 1 30 ARG HA 1 30 ARG HB3 2.700 . 3.600 2.457 2.281 2.730 . 0 0 "[ . 1 .]" 1
1168 1 16 THR HA 1 30 ARG QG 4.700 . 6.000 3.702 2.437 4.610 . 0 0 "[ . 1 .]" 1
1169 1 14 LEU HB2 1 30 ARG HB3 3.900 . 5.800 4.539 3.368 6.617 0.817 15 1 "[ . 1 +]" 1
1170 1 14 LEU QD 1 30 ARG HB3 3.000 . 4.100 2.893 1.763 4.543 0.443 7 0 "[ . 1 .]" 1
1171 1 14 LEU QD 1 32 ALA MB 2.300 . 6.000 4.517 3.889 5.139 . 0 0 "[ . 1 .]" 1
1172 1 15 VAL MG2 1 32 ALA MB 3.500 . 5.100 4.502 4.190 4.930 . 0 0 "[ . 1 .]" 1
1173 1 32 ALA MB 1 35 THR MG 3.100 . 6.000 4.737 4.386 5.378 . 0 0 "[ . 1 .]" 1
1174 1 32 ALA MB 1 54 ASN HB2 4.100 . 6.000 4.471 3.019 5.238 . 0 0 "[ . 1 .]" 1
1175 1 32 ALA MB 1 54 ASN HB3 4.000 . 6.000 4.208 2.596 5.366 . 0 0 "[ . 1 .]" 1
1176 1 32 ALA MB 1 33 TRP HZ2 3.600 . 5.200 4.681 4.011 5.288 0.088 2 0 "[ . 1 .]" 1
1177 1 10 SER QB 1 32 ALA MB 3.400 . 4.800 3.451 1.966 4.998 0.198 7 0 "[ . 1 .]" 1
1178 1 15 VAL MG1 1 33 TRP HB3 4.400 . 6.000 4.212 3.966 4.708 . 0 0 "[ . 1 .]" 1
1179 1 32 ALA MB 1 33 TRP HB3 4.500 . 6.000 3.762 3.607 3.940 . 0 0 "[ . 1 .]" 1
1180 1 33 TRP HA 1 33 TRP HB3 2.700 . 3.600 2.401 2.366 2.460 . 0 0 "[ . 1 .]" 1
1181 1 33 TRP HB3 1 33 TRP HD1 3.200 . 4.500 3.791 3.535 3.870 . 0 0 "[ . 1 .]" 1
1182 1 33 TRP HB3 1 34 CYS H 4.300 . 6.000 3.519 3.404 3.636 . 0 0 "[ . 1 .]" 1
1183 1 15 VAL MG1 1 34 CYS QB 3.700 . 5.400 3.905 3.469 5.834 0.434 4 0 "[ . 1 .]" 1
1184 1 34 CYS HB2 1 36 VAL MG1 4.000 . 6.000 4.570 4.057 4.997 . 0 0 "[ . 1 .]" 1
1185 1 17 CYS HA 1 34 CYS QB 5.700 . 6.000 4.954 4.629 5.149 . 0 0 "[ . 1 .]" 1
1186 1 34 CYS HB2 1 52 CYS HA 6.000 . 6.000 5.445 5.069 5.896 . 0 0 "[ . 1 .]" 1
1187 1 34 CYS QB 1 35 THR H 3.300 . 4.600 3.286 2.938 3.466 . 0 0 "[ . 1 .]" 1
1188 1 34 CYS HB2 1 79 ASN H 3.900 . 5.800 3.566 3.135 3.926 . 0 0 "[ . 1 .]" 1
1189 1 36 VAL HB 1 37 VAL H 3.100 . 4.300 2.650 2.263 3.047 . 0 0 "[ . 1 .]" 1
1190 1 36 VAL H 1 36 VAL HB 3.300 . 4.700 3.750 3.705 3.800 . 0 0 "[ . 1 .]" 1
1191 1 36 VAL HB 1 71 TYR QD 3.900 . 5.800 5.173 4.854 5.427 . 0 0 "[ . 1 .]" 1
1192 1 36 VAL HB 1 71 TYR HB3 3.400 . 4.900 4.286 4.220 4.403 . 0 0 "[ . 1 .]" 1
1193 1 36 VAL HB 1 71 TYR HB2 3.800 . 5.600 5.623 5.436 5.703 0.103 12 0 "[ . 1 .]" 1
1194 1 36 VAL HB 1 84 LEU QB 5.000 . 6.000 3.983 3.058 4.928 . 0 0 "[ . 1 .]" 1
1195 1 36 VAL HB 1 84 LEU HG 4.300 . 6.000 3.409 1.981 4.820 0.019 5 0 "[ . 1 .]" 1
1196 1 36 VAL HB 1 36 VAL MG1 2.300 . 2.900 2.119 2.114 2.128 . 0 0 "[ . 1 .]" 1
1197 1 36 VAL HB 1 36 VAL MG2 2.200 . 2.800 2.121 2.110 2.128 . 0 0 "[ . 1 .]" 1
1198 1 36 VAL HB 1 84 LEU QD 2.600 . 3.400 1.844 1.604 2.632 0.296 11 0 "[ . 1 .]" 1
1199 1 36 VAL H 1 36 VAL MG1 2.900 . 4.000 2.584 2.217 2.958 . 0 0 "[ . 1 .]" 1
1200 1 23 HIS HE1 1 36 VAL MG1 3.800 . 5.600 4.741 4.222 5.230 . 0 0 "[ . 1 .]" 1
1201 1 36 VAL MG1 1 50 ARG HA 4.400 . 6.000 2.718 1.974 4.059 0.026 11 0 "[ . 1 .]" 1
1202 1 36 VAL MG1 1 79 ASN HB2 2.800 . 3.800 2.309 1.691 3.640 0.109 7 0 "[ . 1 .]" 1
1203 1 36 VAL MG1 1 82 VAL HB 2.800 . 3.800 2.906 2.615 3.473 . 0 0 "[ . 1 .]" 1
1204 1 36 VAL MG1 1 50 ARG QB 2.300 . 3.000 1.960 1.650 2.746 . 0 0 "[ . 1 .]" 1
1205 1 36 VAL MG1 1 36 VAL MG2 2.000 . 2.500 2.078 2.067 2.089 . 0 0 "[ . 1 .]" 1
1206 1 36 VAL MG1 1 82 VAL MG2 2.500 . 3.300 2.189 1.782 2.828 . 0 0 "[ . 1 .]" 1
1207 1 36 VAL MG1 1 84 LEU QD 4.100 . 5.800 2.918 2.372 3.570 . 0 0 "[ . 1 .]" 1
1208 1 36 VAL MG1 1 84 LEU HG 4.300 . 6.000 4.442 2.689 5.681 . 0 0 "[ . 1 .]" 1
1209 1 37 VAL HB 1 49 HIS H 3.400 . 4.800 4.143 3.659 4.568 . 0 0 "[ . 1 .]" 1
1210 1 37 VAL HA 1 37 VAL HB 2.800 . 3.800 2.818 2.735 2.927 . 0 0 "[ . 1 .]" 1
1211 1 37 VAL HB 1 70 HIS HA 6.000 . 6.000 4.625 4.436 4.784 . 0 0 "[ . 1 .]" 1
1212 1 37 VAL HB 1 49 HIS QB 2.800 . 3.800 3.505 2.888 3.774 . 0 0 "[ . 1 .]" 1
1213 1 35 THR MG 1 37 VAL QG 3.500 . 5.000 4.349 4.107 4.596 . 0 0 "[ . 1 .]" 1
1214 1 37 VAL QG 1 70 HIS QB 3.200 . 3.600 2.264 1.274 3.148 0.726 5 1 "[ + 1 .]" 1
1215 1 37 VAL QG 1 70 HIS HA 2.700 . 3.600 1.976 1.568 2.231 0.232 9 0 "[ . 1 .]" 1
1216 1 37 VAL QG 1 38 LEU H 3.300 . 4.700 3.261 3.027 3.441 . 0 0 "[ . 1 .]" 1
1217 1 38 LEU HG 1 40 ARG H 3.500 . 5.000 3.858 3.056 4.623 . 0 0 "[ . 1 .]" 1
1218 1 38 LEU H 1 38 LEU HG 3.800 . 5.600 4.404 4.304 4.521 . 0 0 "[ . 1 .]" 1
1219 1 38 LEU HA 1 38 LEU HG 3.300 . 4.700 3.046 2.829 3.164 . 0 0 "[ . 1 .]" 1
1220 1 38 LEU HG 1 40 ARG HA 3.000 . 4.100 3.472 2.480 4.157 0.057 2 0 "[ . 1 .]" 1
1221 1 38 LEU HG 1 40 ARG QD 2.700 . 3.600 3.522 3.153 3.738 0.138 13 0 "[ . 1 .]" 1
1222 1 38 LEU HG 1 46 PRO HB3 3.200 . 4.500 3.599 2.215 4.326 . 0 0 "[ . 1 .]" 1
1223 1 39 VAL HB 1 40 ARG H 4.000 . 6.000 4.345 4.117 4.461 . 0 0 "[ . 1 .]" 1
1224 1 39 VAL HB 1 47 GLN H 3.300 . 4.700 2.858 1.950 4.213 . 0 0 "[ . 1 .]" 1
1225 1 38 LEU HA 1 39 VAL HB 5.800 . 6.000 4.668 4.433 4.788 . 0 0 "[ . 1 .]" 1
1226 1 39 VAL HB 1 39 VAL MG2 2.400 . 3.100 2.128 2.123 2.131 . 0 0 "[ . 1 .]" 1
1227 1 39 VAL HB 1 39 VAL MG1 2.300 . 3.000 2.128 2.122 2.135 . 0 0 "[ . 1 .]" 1
1228 1 39 VAL MG2 1 49 HIS QB 3.400 . 4.800 3.355 2.367 4.013 . 0 0 "[ . 1 .]" 1
1229 1 39 VAL MG2 1 47 GLN QG 4.500 . 6.000 4.587 3.015 5.454 . 0 0 "[ . 1 .]" 1
1230 1 39 VAL MG2 1 40 ARG H 4.100 . 6.000 4.200 3.810 4.299 . 0 0 "[ . 1 .]" 1
1231 1 40 ARG H 1 40 ARG QB 3.200 . 4.400 2.277 2.053 2.567 . 0 0 "[ . 1 .]" 1
1232 1 40 ARG QB 1 41 GLU H 3.700 . 5.400 3.414 1.976 3.989 0.024 14 0 "[ . 1 .]" 1
1233 1 40 ARG QB 1 40 ARG QD 2.900 . 3.900 2.442 2.275 2.752 . 0 0 "[ . 1 .]" 1
1234 1 40 ARG QB 1 86 LEU QD 3.700 . 5.400 4.176 1.949 5.567 0.167 2 0 "[ . 1 .]" 1
1235 1 40 ARG QB 1 41 GLU QB 3.400 . 6.000 4.718 4.083 5.195 . 0 0 "[ . 1 .]" 1
1236 1 40 ARG H 1 40 ARG QG 3.700 . 5.400 3.351 2.005 4.083 . 0 0 "[ . 1 .]" 1
1237 1 40 ARG HA 1 40 ARG QG 3.200 . 4.500 2.659 2.223 2.973 . 0 0 "[ . 1 .]" 1
1238 1 40 ARG QG 1 86 LEU QD 3.300 . 6.000 3.634 2.057 5.146 . 0 0 "[ . 1 .]" 1
1239 1 44 ARG QG 1 45 HIS HD2 4.300 . 6.000 4.244 1.978 6.033 0.033 7 0 "[ . 1 .]" 1
1240 1 45 HIS HA 1 45 HIS HB3 2.600 . 3.400 2.627 2.420 3.033 . 0 0 "[ . 1 .]" 1
1241 1 45 HIS HB3 1 46 PRO QD 3.400 . 4.900 3.594 1.850 4.360 0.050 13 0 "[ . 1 .]" 1
1242 1 45 HIS HA 1 45 HIS HB2 2.800 . 3.800 2.693 2.361 3.023 . 0 0 "[ . 1 .]" 1
1243 1 45 HIS HB2 1 46 PRO QD 3.400 . 6.000 3.372 1.901 4.415 . 0 0 "[ . 1 .]" 1
1244 1 41 GLU QB 1 45 HIS HB2 3.500 . 5.100 3.410 1.069 4.936 0.831 13 1 "[ . 1 + .]" 1
1245 1 48 GLU QG 1 49 HIS H 3.900 . 5.800 4.308 3.158 4.929 . 0 0 "[ . 1 .]" 1
1246 1 48 GLU H 1 48 GLU QG 3.000 . 4.100 2.683 1.866 3.993 0.034 13 0 "[ . 1 .]" 1
1247 1 38 LEU HA 1 48 GLU QG 3.900 . 5.800 3.987 3.109 5.324 . 0 0 "[ . 1 .]" 1
1248 1 37 VAL QG 1 49 HIS QB 3.100 . 3.600 2.761 1.994 3.327 0.006 8 0 "[ . 1 .]" 1
1249 1 48 GLU HA 1 49 HIS QB 5.600 . 6.000 4.484 4.295 4.630 . 0 0 "[ . 1 .]" 1
1250 1 54 ASN HB2 1 55 LEU MD2 5.200 . 6.000 4.789 3.531 5.721 . 0 0 "[ . 1 .]" 1
1251 1 54 ASN HB2 1 54 ASN QD 3.000 . 4.100 2.823 2.185 3.319 . 0 0 "[ . 1 .]" 1
1252 1 56 HIS HB3 1 56 HIS HD2 3.500 . 5.000 3.673 2.866 3.973 . 0 0 "[ . 1 .]" 1
1253 1 56 HIS HB3 1 59 LEU HG 2.600 . 3.500 2.326 1.807 2.767 . 0 0 "[ . 1 .]" 1
1254 1 56 HIS HB3 1 59 LEU MD1 2.800 . 3.800 3.104 2.578 3.717 . 0 0 "[ . 1 .]" 1
1255 1 56 HIS HB2 1 56 HIS HD2 3.500 . 5.000 3.239 2.784 3.973 . 0 0 "[ . 1 .]" 1
1256 1 56 HIS HB2 1 59 LEU HG 3.000 . 4.200 2.754 2.037 3.481 . 0 0 "[ . 1 .]" 1
1257 1 56 HIS HB2 1 59 LEU MD1 2.500 . 3.300 2.380 1.963 3.120 . 0 0 "[ . 1 .]" 1
1258 1 57 ARG H 1 57 ARG HB3 2.900 . 4.000 2.645 2.384 3.242 . 0 0 "[ . 1 .]" 1
1259 1 57 ARG HB3 1 57 ARG HD3 4.100 . 6.000 3.687 3.210 3.823 . 0 0 "[ . 1 .]" 1
1260 1 57 ARG HB3 1 57 ARG HD2 3.500 . 5.000 3.643 2.453 4.236 . 0 0 "[ . 1 .]" 1
1261 1 57 ARG HB3 1 57 ARG HG2 2.900 . 3.900 2.561 2.351 3.009 . 0 0 "[ . 1 .]" 1
1262 1 57 ARG HB3 1 57 ARG HG3 2.600 . 3.400 2.481 2.396 2.560 . 0 0 "[ . 1 .]" 1
1263 1 57 ARG HB2 1 57 ARG HG2 2.900 . 4.000 2.474 2.388 2.570 . 0 0 "[ . 1 .]" 1
1264 1 57 ARG HB2 1 57 ARG HG3 2.900 . 3.900 2.831 2.310 3.013 . 0 0 "[ . 1 .]" 1
1265 1 57 ARG HB2 1 57 ARG HD2 3.100 . 4.300 3.458 2.928 3.736 . 0 0 "[ . 1 .]" 1
1266 1 57 ARG HB2 1 57 ARG HD3 4.200 . 6.000 3.171 2.424 4.233 . 0 0 "[ . 1 .]" 1
1267 1 33 TRP HZ2 1 57 ARG HB2 5.700 . 6.000 4.533 2.728 5.948 . 0 0 "[ . 1 .]" 1
1268 1 57 ARG H 1 57 ARG HB2 2.900 . 4.000 2.541 2.231 2.956 . 0 0 "[ . 1 .]" 1
1269 1 58 GLU H 1 58 GLU HG3 3.900 . 5.800 3.736 3.029 4.548 . 0 0 "[ . 1 .]" 1
1270 1 58 GLU HG3 1 59 LEU H 3.500 . 5.000 3.505 2.307 4.628 . 0 0 "[ . 1 .]" 1
1271 1 58 GLU HG3 1 59 LEU MD2 3.000 . 4.100 3.380 2.517 4.622 0.522 6 1 "[ .+ 1 .]" 1
1272 1 58 GLU HG2 1 59 LEU H 3.600 . 5.200 2.898 1.969 4.664 0.031 6 0 "[ . 1 .]" 1
1273 1 58 GLU HG2 1 59 LEU HG 3.500 . 5.000 3.140 2.316 4.859 . 0 0 "[ . 1 .]" 1
1274 1 63 ARG HB2 1 64 PRO HD2 4.000 . 6.000 4.265 2.186 5.285 . 0 0 "[ . 1 .]" 1
1275 1 63 ARG HB2 1 64 PRO HD3 4.600 . 6.000 4.441 3.090 5.311 . 0 0 "[ . 1 .]" 1
1276 1 63 ARG HB2 1 63 ARG QD 3.100 . 4.300 2.718 2.273 3.509 . 0 0 "[ . 1 .]" 1
1277 1 63 ARG HB2 1 65 THR MG 4.600 . 6.000 4.095 2.564 5.629 . 0 0 "[ . 1 .]" 1
1278 1 67 PHE HA 1 67 PHE QB 3.500 . 5.000 2.239 2.150 2.499 . 0 0 "[ . 1 .]" 1
1279 1 67 PHE QB 1 68 VAL QG 4.700 . 6.000 4.374 3.738 4.915 . 0 0 "[ . 1 .]" 1
1280 1 68 VAL HB 1 69 ASN H 3.600 . 5.200 3.782 1.974 4.465 0.026 11 0 "[ . 1 .]" 1
1281 1 68 VAL HB 1 68 VAL MG2 2.000 . 2.500 2.124 2.112 2.129 . 0 0 "[ . 1 .]" 1
1282 1 39 VAL MG2 1 68 VAL HB 2.800 . 6.000 5.160 3.996 6.113 0.113 7 0 "[ . 1 .]" 1
1283 1 69 ASN H 1 69 ASN QB 3.100 . 4.300 2.812 2.194 3.304 . 0 0 "[ . 1 .]" 1
1284 1 69 ASN QB 1 69 ASN QD 3.800 . 4.300 2.110 2.039 2.207 . 0 0 "[ . 1 .]" 1
1285 1 38 LEU HB2 1 69 ASN QB 3.900 . 5.800 3.910 2.763 4.918 . 0 0 "[ . 1 .]" 1
1286 1 69 ASN QB 1 86 LEU QD 3.200 . 6.000 2.875 1.704 3.979 . 0 0 "[ . 1 .]" 1
1287 1 68 VAL MG2 1 70 HIS QB 4.800 . 6.000 3.875 2.850 6.264 0.264 7 0 "[ . 1 .]" 1
1288 1 60 CYS HA 1 70 HIS QB 4.400 . 5.600 2.805 1.951 4.212 0.049 2 0 "[ . 1 .]" 1
1289 1 70 HIS H 1 70 HIS QB 3.100 . 4.300 2.714 2.244 3.104 . 0 0 "[ . 1 .]" 1
1290 1 70 HIS QB 1 71 TYR HA 4.200 . 6.000 4.388 4.005 4.659 . 0 0 "[ . 1 .]" 1
1291 1 71 TYR HB2 1 84 LEU QD 4.500 . 6.000 3.867 2.097 4.596 . 0 0 "[ . 1 .]" 1
1292 1 73 CYS HA 1 74 ASP HB2 4.700 . 6.000 4.652 4.139 5.662 . 0 0 "[ . 1 .]" 1
1293 1 15 VAL QG 1 74 ASP HB2 3.800 . 5.600 5.183 3.468 5.655 0.055 6 0 "[ . 1 .]" 1
1294 1 76 HIS QB 1 76 HIS HD2 3.300 . 4.700 2.872 2.731 3.047 . 0 0 "[ . 1 .]" 1
1295 1 75 SER HA 1 76 HIS QB 4.100 . 6.000 4.403 4.245 4.644 . 0 0 "[ . 1 .]" 1
1296 1 75 SER HB2 1 76 HIS QB 4.500 . 6.000 5.518 4.781 6.161 0.161 8 0 "[ . 1 .]" 1
1297 1 15 VAL MG1 1 76 HIS QB 3.500 . 5.000 2.632 2.245 3.195 . 0 0 "[ . 1 .]" 1
1298 1 76 HIS QB 1 77 LEU QD 3.700 . 5.400 3.246 1.889 3.531 0.111 2 0 "[ . 1 .]" 1
1299 1 76 HIS HD2 1 77 LEU QD 4.000 . 6.000 3.780 2.326 5.203 . 0 0 "[ . 1 .]" 1
1300 1 16 THR MG 1 77 LEU QD . . 2.800 2.138 1.902 2.495 0.098 2 0 "[ . 1 .]" 1
1301 1 28 THR MG 1 77 LEU QD 2.900 . 6.000 3.496 3.246 3.853 . 0 0 "[ . 1 .]" 1
1302 1 79 ASN H 1 79 ASN HB3 3.600 . 5.200 2.914 2.417 3.646 . 0 0 "[ . 1 .]" 1
1303 1 50 ARG QB 1 79 ASN HB3 4.800 . 6.000 2.973 1.542 3.894 0.358 8 0 "[ . 1 .]" 1
1304 1 34 CYS HA 1 79 ASN HB2 5.300 . 6.000 5.246 3.898 6.048 0.048 12 0 "[ . 1 .]" 1
1305 1 79 ASN HA 1 79 ASN HB2 2.700 . 3.600 2.609 2.370 3.023 . 0 0 "[ . 1 .]" 1
1306 1 79 ASN HB2 1 82 VAL MG1 4.900 . 6.000 3.136 2.113 4.529 . 0 0 "[ . 1 .]" 1
1307 1 79 ASN HB2 1 82 VAL HB 6.000 . 6.000 3.974 3.012 5.061 . 0 0 "[ . 1 .]" 1
1308 1 50 ARG QB 1 79 ASN HB2 4.400 . 6.000 2.494 1.835 3.885 0.165 4 0 "[ . 1 .]" 1
1309 1 80 HIS HB3 1 81 ASN H 3.100 . 4.300 3.108 2.673 3.897 . 0 0 "[ . 1 .]" 1
1310 1 77 LEU HB3 1 80 HIS HB3 2.800 . 3.800 3.257 2.486 3.740 . 0 0 "[ . 1 .]" 1
1311 1 77 LEU QD 1 80 HIS HB3 4.100 . 6.000 4.077 3.554 4.492 . 0 0 "[ . 1 .]" 1
1312 1 18 THR HB 1 80 HIS HB2 2.900 . 4.000 3.555 3.381 3.685 . 0 0 "[ . 1 .]" 1
1313 1 77 LEU HB3 1 80 HIS HB2 2.600 . 3.500 3.069 2.415 3.449 . 0 0 "[ . 1 .]" 1
1314 1 18 THR MG 1 80 HIS HB2 2.900 . 6.000 4.204 3.699 4.530 . 0 0 "[ . 1 .]" 1
1315 1 77 LEU QD 1 80 HIS HB2 . . 4.600 3.273 2.650 3.580 . 0 0 "[ . 1 .]" 1
1316 1 81 ASN H 1 81 ASN HB3 3.800 . 5.600 3.447 2.984 3.834 . 0 0 "[ . 1 .]" 1
1317 1 81 ASN HB3 1 81 ASN HD22 3.800 . 5.600 3.691 3.456 4.064 . 0 0 "[ . 1 .]" 1
1318 1 81 ASN HB3 1 81 ASN HD21 3.600 . 5.200 2.690 2.177 3.479 . 0 0 "[ . 1 .]" 1
1319 1 81 ASN H 1 81 ASN HB2 3.400 . 4.900 3.497 2.564 4.075 . 0 0 "[ . 1 .]" 1
1320 1 81 ASN HB2 1 81 ASN HD22 3.700 . 5.400 3.724 3.465 4.040 . 0 0 "[ . 1 .]" 1
1321 1 81 ASN HB2 1 81 ASN HD21 3.200 . 4.500 2.769 2.187 3.453 . 0 0 "[ . 1 .]" 1
1322 1 81 ASN HA 1 81 ASN HB2 2.900 . 3.900 2.644 2.434 3.039 . 0 0 "[ . 1 .]" 1
1323 1 81 ASN HB2 1 82 VAL MG1 6.000 . 6.000 5.807 5.354 6.027 0.027 14 0 "[ . 1 .]" 1
1324 1 81 ASN HB2 1 94 GLU HB2 6.000 . 6.000 4.332 1.884 5.813 . 0 0 "[ . 1 .]" 1
1325 1 82 VAL HB 1 94 GLU H 4.000 . 6.000 5.806 4.798 6.060 0.060 11 0 "[ . 1 .]" 1
1326 1 71 TYR QD 1 82 VAL HB 3.700 . 5.500 4.612 4.149 5.036 . 0 0 "[ . 1 .]" 1
1327 1 71 TYR QE 1 82 VAL HB 3.400 . 6.000 4.916 4.366 5.764 . 0 0 "[ . 1 .]" 1
1328 1 71 TYR HB3 1 82 VAL HB 6.000 . 6.000 5.905 5.459 6.082 0.082 8 0 "[ . 1 .]" 1
1329 1 82 VAL HB 1 82 VAL MG2 2.200 . 2.800 2.125 2.120 2.130 . 0 0 "[ . 1 .]" 1
1330 1 82 VAL HB 1 82 VAL MG1 2.200 . 2.800 2.123 2.114 2.127 . 0 0 "[ . 1 .]" 1
1331 1 82 VAL MG1 1 82 VAL MG2 2.100 . 2.600 2.089 2.063 2.111 . 0 0 "[ . 1 .]" 1
1332 1 71 TYR QE 1 82 VAL MG2 2.600 . 6.000 3.202 2.527 3.976 . 0 0 "[ . 1 .]" 1
1333 1 82 VAL H 1 82 VAL MG2 3.900 . 5.800 3.818 3.747 3.917 . 0 0 "[ . 1 .]" 1
1334 1 71 TYR QD 1 82 VAL MG2 3.900 . 5.800 2.622 2.181 3.118 . 0 0 "[ . 1 .]" 1
1335 1 36 VAL HB 1 82 VAL MG2 3.700 . 5.400 3.726 3.387 4.023 . 0 0 "[ . 1 .]" 1
1336 1 82 VAL MG2 1 83 SER HA 4.600 . 6.000 3.718 3.390 3.918 . 0 0 "[ . 1 .]" 1
1337 1 84 LEU QB 1 86 LEU H 4.100 . 6.000 4.517 2.992 5.729 . 0 0 "[ . 1 .]" 1
1338 1 48 GLU HA 1 84 LEU QD 4.400 . 6.000 2.865 1.901 3.721 . 0 0 "[ . 1 .]" 1
1339 1 38 LEU HA 1 84 LEU QD 3.200 . 4.500 3.149 2.392 3.859 . 0 0 "[ . 1 .]" 1
1340 1 71 TYR HB3 1 84 LEU QD 2.500 . 6.000 3.515 2.048 4.109 . 0 0 "[ . 1 .]" 1
1341 1 69 ASN QB 1 84 LEU QD 3.100 . 4.300 2.669 1.539 4.104 0.361 10 0 "[ . 1 .]" 1
1342 1 38 LEU HB3 1 84 LEU QD 3.600 . 5.300 3.118 2.521 3.844 . 0 0 "[ . 1 .]" 1
1343 1 84 LEU QB 1 84 LEU QD 2.500 . 3.300 1.961 1.849 2.056 . 0 0 "[ . 1 .]" 1
1344 1 84 LEU QD 1 85 VAL H 4.000 . 6.000 3.139 2.139 3.705 . 0 0 "[ . 1 .]" 1
1345 1 36 VAL MG2 1 84 LEU QD 2.600 . 3.400 1.812 1.338 2.253 0.462 3 0 "[ . 1 .]" 1
1346 1 84 LEU MD1 1 84 LEU MD2 1.500 . 2.200 2.072 2.049 2.110 . 0 0 "[ . 1 .]" 1
1347 1 82 VAL MG2 1 84 LEU QD 3.800 . 5.600 3.085 2.438 3.701 . 0 0 "[ . 1 .]" 1
1348 1 85 VAL HB 1 85 VAL QG 1.900 . 2.400 1.892 1.887 1.897 . 0 0 "[ . 1 .]" 1
1349 1 85 VAL HA 1 85 VAL HB 2.600 . 3.400 2.509 2.331 3.027 . 0 0 "[ . 1 .]" 1
1350 1 85 VAL HB 1 86 LEU H 3.300 . 4.700 4.310 4.121 4.439 . 0 0 "[ . 1 .]" 1
1351 1 54 ASN HB3 1 55 LEU HG 3.300 . 4.600 3.212 2.157 4.958 0.358 12 0 "[ . 1 .]" 1
1352 1 54 ASN HB3 1 55 LEU MD1 3.800 . 5.600 3.591 1.810 5.679 0.190 2 0 "[ . 1 .]" 1
1353 1 7 VAL MG1 1 55 LEU QB 2.100 . 6.000 4.566 2.428 6.209 0.209 3 0 "[ . 1 .]" 1
1354 1 18 THR MG 1 77 LEU QD 4.000 . 6.000 4.658 4.299 4.870 . 0 0 "[ . 1 .]" 1
1355 1 38 LEU MD1 1 46 PRO HB3 2.800 . 3.800 2.812 1.857 3.615 . 0 0 "[ . 1 .]" 1
1356 1 38 LEU MD1 1 38 LEU HG 2.400 . 3.100 2.122 2.117 2.127 . 0 0 "[ . 1 .]" 1
1357 1 14 LEU QD 1 33 TRP H 6.000 . 6.000 5.840 5.312 5.902 . 0 0 "[ . 1 .]" 1
1358 1 54 ASN HB2 1 55 LEU HG 3.900 . 5.800 3.704 2.514 4.817 . 0 0 "[ . 1 .]" 1
1359 1 39 VAL MG2 1 47 GLN HB2 5.500 . 6.000 3.456 2.178 5.021 . 0 0 "[ . 1 .]" 1
1360 1 45 HIS HA 1 46 PRO HB2 6.000 . 6.000 5.366 4.583 5.688 . 0 0 "[ . 1 .]" 1
1361 1 38 LEU MD1 1 46 PRO HB2 4.000 . 6.000 2.474 1.888 3.270 0.112 1 0 "[ . 1 .]" 1
1362 1 41 GLU HA 1 42 GLU QB 5.300 . 6.000 4.329 4.000 4.753 . 0 0 "[ . 1 .]" 1
1363 1 41 GLU QB 1 44 ARG QD 5.300 . 6.000 5.121 3.870 5.722 . 0 0 "[ . 1 .]" 1
1364 1 10 SER HA 1 54 ASN HB3 6.000 . 6.000 5.430 2.722 6.834 0.834 3 3 "[ + . -1 * .]" 1
1365 1 54 ASN HB3 1 55 LEU HA 6.000 . 6.000 4.679 3.932 5.571 . 0 0 "[ . 1 .]" 1
1366 1 32 ALA H 1 54 ASN HB3 6.000 . 6.000 4.569 2.588 6.019 0.019 13 0 "[ . 1 .]" 1
1367 1 56 HIS HB3 1 59 LEU HB2 6.000 . 6.000 4.084 2.714 5.441 . 0 0 "[ . 1 .]" 1
1368 1 53 GLY HA3 1 56 HIS HB2 6.000 . 6.000 4.415 3.681 5.548 . 0 0 "[ . 1 .]" 1
1369 1 31 GLY QA 1 55 LEU HG 5.800 . 6.000 5.539 5.295 5.708 . 0 0 "[ . 1 .]" 1
1370 1 57 ARG HD3 1 60 CYS HB2 6.000 . 6.000 4.455 3.049 5.863 . 0 0 "[ . 1 .]" 1
1371 1 58 GLU HG2 1 59 LEU MD2 6.000 . 6.000 3.410 2.420 4.056 . 0 0 "[ . 1 .]" 1
1372 1 58 GLU HG2 1 59 LEU HB3 6.000 . 6.000 5.297 3.332 6.869 0.869 15 1 "[ . 1 +]" 1
1373 1 58 GLU HG3 1 59 LEU HG 5.900 . 6.000 3.630 2.066 5.219 . 0 0 "[ . 1 .]" 1
1374 1 57 ARG HG2 1 61 ARG QG 4.400 . 6.000 5.434 2.704 6.773 0.773 6 1 "[ .+ 1 .]" 1
1375 1 58 GLU HA 1 59 LEU H 2.800 . 3.800 2.731 2.693 2.754 . 0 0 "[ . 1 .]" 1
1376 1 37 VAL QG 1 38 LEU H 3.300 . 4.700 3.080 2.919 3.209 . 0 0 "[ . 1 .]" 1
1377 1 37 VAL QG 1 38 LEU H 3.200 . 4.500 2.205 1.940 2.502 . 0 0 "[ . 1 .]" 1
1378 1 20 GLU H 1 20 GLU HA 2.800 . 3.800 2.826 2.783 2.863 . 0 0 "[ . 1 .]" 1
1379 1 20 GLU H 1 22 PRO HB3 3.800 . 6.000 3.397 2.669 4.031 . 0 0 "[ . 1 .]" 1
1380 1 39 VAL HB 1 40 ARG H 3.000 . 4.100 2.268 2.049 2.548 . 0 0 "[ . 1 .]" 1
1381 1 82 VAL MG1 1 84 LEU H 3.800 . 5.600 3.031 2.515 3.618 . 0 0 "[ . 1 .]" 1
1382 1 36 VAL HA 1 71 TYR H 4.100 . 6.000 3.546 3.355 3.665 . 0 0 "[ . 1 .]" 1
1383 1 37 VAL QG 1 71 TYR H 4.000 . 6.000 3.128 2.778 3.409 . 0 0 "[ . 1 .]" 1
1384 1 37 VAL H 1 37 VAL QG 2.900 . 3.900 2.131 1.870 2.325 0.030 5 0 "[ . 1 .]" 1
1385 1 41 GLU H 1 44 ARG QD 4.500 . 6.000 5.330 4.030 6.334 0.334 9 0 "[ . 1 .]" 1
1386 1 40 ARG QB 1 41 GLU H 2.400 . 3.100 2.300 1.927 2.742 . 0 0 "[ . 1 .]" 1
1387 1 85 VAL HB 1 86 LEU H 3.600 . 5.200 3.987 3.762 4.232 . 0 0 "[ . 1 .]" 1
1388 1 31 GLY QA 1 32 ALA H 2.000 . 2.500 2.027 1.986 2.090 . 0 0 "[ . 1 .]" 1
1389 1 32 ALA H 1 53 GLY HA2 2.900 . 3.900 2.690 1.824 3.417 0.076 8 0 "[ . 1 .]" 1
1390 1 19 CYS QB 1 21 SER H 3.400 . 4.800 2.987 2.854 3.240 . 0 0 "[ . 1 .]" 1
1391 1 20 GLU HA 1 21 SER H 1.900 . 2.300 2.008 1.984 2.032 . 0 0 "[ . 1 .]" 1
1392 1 21 SER H 1 24 CYS QB 4.400 . 6.000 3.865 3.364 5.099 . 0 0 "[ . 1 .]" 1
1393 1 37 VAL HB 1 49 HIS H 3.200 . 4.500 3.590 3.288 3.865 . 0 0 "[ . 1 .]" 1
1394 1 7 VAL MG2 1 11 ARG H 5.500 . 6.000 5.345 3.489 6.571 0.571 14 1 "[ . 1 +.]" 1
1395 1 20 GLU HB2 1 50 ARG H 3.000 . 4.200 2.886 2.429 3.120 . 0 0 "[ . 1 .]" 1
1396 1 47 GLN HB3 1 48 GLU H 2.600 . 3.400 2.520 1.864 3.268 . 0 0 "[ . 1 .]" 1
1397 1 47 GLN HB2 1 48 GLU H 2.400 . 3.100 2.467 2.237 2.946 . 0 0 "[ . 1 .]" 1
1398 1 94 GLU QG 1 95 GLN H 3.600 . 5.200 2.740 1.946 3.704 0.054 8 0 "[ . 1 .]" 1
1399 1 94 GLU HB3 1 95 GLN H 3.000 . 4.100 2.519 1.855 3.558 0.045 14 0 "[ . 1 .]" 1
1400 1 14 LEU HA 1 16 THR H 3.000 . 4.100 3.650 3.279 3.848 . 0 0 "[ . 1 .]" 1
1401 1 14 LEU HB3 1 15 VAL H 2.700 . 3.600 3.474 3.089 3.676 0.076 4 0 "[ . 1 .]" 1
1402 1 41 GLU QB 1 45 HIS H 3.000 . 4.100 2.291 1.718 3.473 0.182 7 0 "[ . 1 .]" 1
1403 1 17 CYS HB2 1 52 CYS H 2.800 . 3.800 2.668 2.349 3.336 . 0 0 "[ . 1 .]" 1
1404 1 78 CYS HB2 1 79 ASN H 4.600 . 6.000 3.757 3.710 3.814 . 0 0 "[ . 1 .]" 1
1405 1 78 CYS HA 1 79 ASN H 2.600 . 3.500 2.747 2.719 2.779 . 0 0 "[ . 1 .]" 1
1406 1 41 GLU QB 1 44 ARG H 2.900 . 4.000 2.500 2.127 2.962 . 0 0 "[ . 1 .]" 1
1407 1 34 CYS H 1 52 CYS HA 4.300 . 6.000 3.674 3.170 4.216 . 0 0 "[ . 1 .]" 1
1408 1 33 TRP HB3 1 34 CYS H 3.800 . 5.600 3.107 2.359 3.507 . 0 0 "[ . 1 .]" 1
1409 1 34 CYS HA 1 73 CYS H 3.800 . 5.600 3.541 3.414 3.776 . 0 0 "[ . 1 .]" 1
1410 1 33 TRP HB3 1 73 CYS H 3.700 . 5.400 2.850 2.351 3.717 . 0 0 "[ . 1 .]" 1
1411 1 34 CYS QB 1 73 CYS H 3.300 . 4.600 2.674 2.391 3.160 . 0 0 "[ . 1 .]" 1
1412 1 53 GLY HA2 1 54 ASN H 3.000 . 4.100 2.197 2.117 2.235 . 0 0 "[ . 1 .]" 1
1413 1 58 GLU HA 1 60 CYS H 3.100 . 4.300 2.923 2.771 3.079 . 0 0 "[ . 1 .]" 1
1414 1 57 ARG HA 1 60 CYS H 4.100 . 6.000 3.607 3.180 4.153 . 0 0 "[ . 1 .]" 1
1415 1 15 VAL HA 1 75 SER H 4.200 . 6.000 5.463 5.333 5.675 . 0 0 "[ . 1 .]" 1
1416 1 75 SER H 1 75 SER HB3 2.800 . 3.800 3.200 2.804 3.566 . 0 0 "[ . 1 .]" 1
1417 1 33 TRP HB3 1 75 SER H 4.100 . 6.000 3.728 2.974 4.509 . 0 0 "[ . 1 .]" 1
1418 1 34 CYS HB2 1 75 SER H 3.700 . 5.400 2.886 2.196 3.866 . 0 0 "[ . 1 .]" 1
1419 1 31 GLY QA 1 33 TRP H 3.300 . 4.700 3.097 2.999 3.163 . 0 0 "[ . 1 .]" 1
1420 1 33 TRP H 1 53 GLY HA2 4.500 . 6.000 4.002 3.129 4.281 . 0 0 "[ . 1 .]" 1
1421 1 31 GLY QA 1 33 TRP H 3.800 . 5.600 3.299 3.185 3.376 . 0 0 "[ . 1 .]" 1
1422 1 42 GLU HA 1 43 GLY H 2.100 . 2.600 2.057 1.968 2.151 . 0 0 "[ . 1 .]" 1
1423 1 14 LEU HB3 1 31 GLY H 2.700 . 3.600 3.087 2.378 3.482 . 0 0 "[ . 1 .]" 1
1424 1 64 PRO HA 1 65 THR H 2.500 . 3.300 2.310 2.128 2.759 . 0 0 "[ . 1 .]" 1
1425 1 64 PRO HB2 1 65 THR H 5.000 . 6.000 3.978 2.810 4.243 . 0 0 "[ . 1 .]" 1
1426 1 25 LYS HB3 1 26 GLY H 3.900 . 5.800 3.811 3.158 4.162 . 0 0 "[ . 1 .]" 1
1427 1 19 CYS QB 1 28 THR H 3.000 . 4.200 2.902 2.161 3.495 . 0 0 "[ . 1 .]" 1
1428 1 19 CYS H 1 20 GLU H 4.600 . 6.000 4.120 3.524 4.324 . 0 0 "[ . 1 .]" 1
1429 1 16 THR H 1 17 CYS H 2.800 . 3.800 2.811 2.520 3.045 . 0 0 "[ . 1 .]" 1
1430 1 16 THR H 1 77 LEU H 4.400 . 6.000 3.945 3.734 4.085 . 0 0 "[ . 1 .]" 1
1431 1 17 CYS H 1 30 ARG QD 4.400 . 6.000 5.290 5.027 6.008 0.008 2 0 "[ . 1 .]" 1
1432 1 18 THR H 1 34 CYS HB3 3.600 . 5.200 4.384 3.999 4.666 . 0 0 "[ . 1 .]" 1
1433 1 19 CYS H 1 21 SER H 5.500 . 6.000 5.490 4.927 5.914 . 0 0 "[ . 1 .]" 1
1434 1 29 CYS H 1 30 ARG H 3.700 . 5.400 3.809 3.654 3.901 . 0 0 "[ . 1 .]" 1
1435 1 14 LEU QD 1 30 ARG H 6.000 . 6.000 4.666 3.989 5.502 . 0 0 "[ . 1 .]" 1
1436 1 14 LEU QD 1 33 TRP H 3.300 . 6.000 5.666 5.219 5.738 . 0 0 "[ . 1 .]" 1
1437 1 35 THR H 1 37 VAL QG 5.300 . 6.000 5.154 4.949 5.330 . 0 0 "[ . 1 .]" 1
1438 1 15 VAL QG 1 35 THR H 4.900 . 6.000 4.732 4.532 5.168 . 0 0 "[ . 1 .]" 1
1439 1 32 ALA MB 1 35 THR H 6.000 . 6.000 5.698 5.537 5.876 . 0 0 "[ . 1 .]" 1
1440 1 35 THR H 1 52 CYS HB2 4.000 . 6.000 4.711 4.122 5.031 . 0 0 "[ . 1 .]" 1
1441 1 17 CYS HB2 1 35 THR H 3.900 . 5.800 4.215 3.821 4.487 . 0 0 "[ . 1 .]" 1
1442 1 36 VAL H 1 37 VAL H 2.800 . 3.800 2.827 2.622 3.037 . 0 0 "[ . 1 .]" 1
1443 1 37 VAL H 1 48 GLU HA 3.600 . 5.200 4.037 3.817 4.216 . 0 0 "[ . 1 .]" 1
1444 1 38 LEU H 1 48 GLU HA 4.100 . 6.000 4.009 3.819 4.312 . 0 0 "[ . 1 .]" 1
1445 1 37 VAL H 1 38 LEU H 3.800 . 5.600 3.756 3.468 3.930 . 0 0 "[ . 1 .]" 1
1446 1 38 LEU HG 1 40 ARG H 3.400 . 4.800 2.969 2.001 3.725 . 0 0 "[ . 1 .]" 1
1447 1 38 LEU HG 1 48 GLU H 4.800 . 6.000 5.386 4.787 6.026 0.026 8 0 "[ . 1 .]" 1
1448 1 37 VAL QG 1 49 HIS H 3.600 . 5.200 3.105 2.569 3.429 . 0 0 "[ . 1 .]" 1
1449 1 39 VAL MG2 1 49 HIS H 3.700 . 5.400 3.141 2.564 3.597 . 0 0 "[ . 1 .]" 1
1450 1 38 LEU HB2 1 49 HIS H 5.000 . 6.000 4.304 2.777 5.001 . 0 0 "[ . 1 .]" 1
1451 1 36 VAL HA 1 49 HIS H 3.900 . 5.800 4.491 4.313 4.660 . 0 0 "[ . 1 .]" 1
1452 1 19 CYS QB 1 50 ARG H 6.000 . 6.000 4.755 4.532 5.098 . 0 0 "[ . 1 .]" 1
1453 1 34 CYS QB 1 51 GLY H 3.600 . 5.200 4.013 3.775 4.478 . 0 0 "[ . 1 .]" 1
1454 1 34 CYS HA 1 51 GLY H 3.900 . 5.800 4.029 3.810 4.262 . 0 0 "[ . 1 .]" 1
1455 1 36 VAL H 1 51 GLY H 3.400 . 4.800 4.110 3.985 4.209 . 0 0 "[ . 1 .]" 1
1456 1 15 VAL H 1 52 CYS H 4.100 . 6.000 5.950 5.572 6.114 0.114 4 0 "[ . 1 .]" 1
1457 1 23 HIS HA 1 52 CYS H 3.700 . 6.000 6.124 6.037 6.222 0.222 5 0 "[ . 1 .]" 1
1458 1 31 GLY QA 1 53 GLY H 5.000 . 6.000 4.153 3.957 4.292 . 0 0 "[ . 1 .]" 1
1459 1 65 THR HA 1 67 PHE H 4.400 . 6.000 4.110 3.384 5.123 . 0 0 "[ . 1 .]" 1
1460 1 36 VAL H 1 72 CYS H 4.100 . 6.000 4.056 3.937 4.122 . 0 0 "[ . 1 .]" 1
1461 1 20 GLU H 1 28 THR HA 4.100 . 6.000 3.966 3.538 4.311 . 0 0 "[ . 1 .]" 1
1462 1 18 THR HA 1 20 GLU H 4.400 . 6.000 4.636 4.560 4.805 . 0 0 "[ . 1 .]" 1
1463 1 20 GLU H 1 22 PRO QD 3.900 . 5.800 2.346 2.105 3.194 . 0 0 "[ . 1 .]" 1
1464 1 15 VAL H 1 15 VAL HA 2.500 . 3.300 2.683 2.460 2.804 . 0 0 "[ . 1 .]" 1
1465 1 19 CYS QB 1 32 ALA H 3.000 . 6.000 6.038 5.582 6.399 0.399 8 0 "[ . 1 .]" 1
1466 1 36 VAL H 1 37 VAL QG 4.300 . 6.000 3.716 3.616 3.953 . 0 0 "[ . 1 .]" 1
1467 1 38 LEU MD1 1 44 ARG H 3.600 . 6.000 5.838 4.490 6.210 0.210 12 0 "[ . 1 .]" 1
1468 1 15 VAL MG1 1 53 GLY H 4.300 . 6.000 4.381 3.767 5.605 . 0 0 "[ . 1 .]" 1
1469 1 35 THR MG 1 54 ASN H 6.000 . 6.000 4.664 3.808 5.299 . 0 0 "[ . 1 .]" 1
1470 1 57 ARG HG2 1 58 GLU H 4.600 . 6.000 4.213 3.880 4.437 . 0 0 "[ . 1 .]" 1
1471 1 58 GLU H 1 60 CYS H 5.200 . 6.000 4.181 3.870 4.538 . 0 0 "[ . 1 .]" 1
1472 1 56 HIS H 1 59 LEU H 4.600 . 6.000 4.006 3.780 4.230 . 0 0 "[ . 1 .]" 1
1473 1 59 LEU H 1 60 CYS H 2.800 . 3.800 2.701 2.509 3.083 . 0 0 "[ . 1 .]" 1
1474 1 57 ARG HD3 1 60 CYS H 3.900 . 5.800 4.564 3.971 5.197 . 0 0 "[ . 1 .]" 1
1475 1 57 ARG HG2 1 60 CYS H 2.600 . 6.000 4.031 2.488 4.330 . 0 0 "[ . 1 .]" 1
1476 1 36 VAL H 1 60 CYS H 6.000 . 6.000 5.549 5.176 6.014 0.014 10 0 "[ . 1 .]" 1
1477 1 60 CYS H 1 62 GLY H 3.200 . 4.500 3.445 1.878 4.298 0.022 1 0 "[ . 1 .]" 1
1478 1 61 ARG HA 1 63 ARG H 3.200 . 6.000 4.318 3.870 4.660 . 0 0 "[ . 1 .]" 1
1479 1 38 LEU MD2 1 68 VAL H 3.500 . 5.100 4.463 4.117 4.844 . 0 0 "[ . 1 .]" 1
1480 1 38 LEU H 1 86 LEU H 2.700 . 6.000 5.463 3.905 6.073 0.073 14 0 "[ . 1 .]" 1
1481 1 85 VAL H 1 86 LEU H 3.100 . 4.300 3.047 1.887 4.240 0.013 1 0 "[ . 1 .]" 1
1482 1 48 GLU QG 1 85 VAL H 3.600 . 5.200 5.072 3.603 5.636 0.436 1 0 "[ . 1 .]" 1
1483 1 84 LEU H 1 93 SER H 3.400 . 6.000 5.019 3.296 6.049 0.049 13 0 "[ . 1 .]" 1
1484 1 84 LEU H 1 86 LEU H 5.800 . 6.000 5.288 4.145 6.071 0.071 13 0 "[ . 1 .]" 1
1485 1 33 TRP HE1 1 34 CYS HA 6.000 . 6.000 5.248 5.019 5.565 . 0 0 "[ . 1 .]" 1
1486 1 33 TRP HA 1 33 TRP HE1 5.900 . 6.000 5.558 4.810 5.778 . 0 0 "[ . 1 .]" 1
1487 1 33 TRP HB2 1 33 TRP HE1 3.900 . 5.800 4.011 3.445 4.666 . 0 0 "[ . 1 .]" 1
1488 1 83 SER QB 1 93 SER H 3.800 . 4.800 3.760 2.895 4.546 . 0 0 "[ . 1 .]" 1
1489 1 9 PRO HA 1 10 SER H 2.400 . 3.100 2.506 2.098 3.199 0.099 2 0 "[ . 1 .]" 1
1490 1 85 VAL HA 1 86 LEU H 2.700 . 3.600 2.632 2.106 3.272 . 0 0 "[ . 1 .]" 1
1491 1 6 PRO HA 1 6 PRO HB3 1.900 . 2.400 1.790 1.779 1.809 . 0 0 "[ . 1 .]" 1
1492 1 6 PRO HA 1 6 PRO QG 2.300 . 3.000 2.549 2.423 2.650 . 0 0 "[ . 1 .]" 1
1493 1 6 PRO HD2 1 6 PRO QG 1.700 . 2.200 1.949 1.926 1.961 . 0 0 "[ . 1 .]" 1
1494 1 6 PRO HD3 1 6 PRO QG 2.300 . 3.000 2.183 2.168 2.220 . 0 0 "[ . 1 .]" 1
1495 1 41 GLU QB 1 46 PRO QD 2.200 . 6.000 2.938 1.352 5.093 . 0 0 "[ . 1 .]" 1
1496 1 18 THR HB 1 51 GLY HA2 4.800 . 6.000 4.574 4.353 4.969 . 0 0 "[ . 1 .]" 1
1497 1 14 LEU QD 1 31 GLY QA 3.700 . 5.400 3.065 2.530 3.409 . 0 0 "[ . 1 .]" 1
1498 1 34 CYS HA 1 52 CYS HB2 4.200 . 6.000 4.344 3.642 4.851 . 0 0 "[ . 1 .]" 1
1499 1 35 THR HA 1 60 CYS HB2 4.700 . 6.000 5.359 3.989 5.985 . 0 0 "[ . 1 .]" 1
1500 1 35 THR HA 1 37 VAL QG 4.300 . 6.000 4.461 4.278 4.638 . 0 0 "[ . 1 .]" 1
1501 1 35 THR HB 1 37 VAL H 3.800 . 5.600 4.504 4.367 4.757 . 0 0 "[ . 1 .]" 1
1502 1 39 VAL MG2 1 48 GLU HA 4.200 . 6.000 2.819 1.900 3.539 0.100 5 0 "[ . 1 .]" 1
1503 1 58 GLU HA 1 59 LEU HG 3.400 . 4.900 3.545 1.871 4.939 0.039 6 0 "[ . 1 .]" 1
1504 1 57 ARG HA 1 60 CYS HA 4.600 . 6.000 2.789 1.951 4.106 0.049 2 0 "[ . 1 .]" 1
1505 1 83 SER QB 1 92 PRO HA 4.500 . 6.000 3.521 2.131 5.166 . 0 0 "[ . 1 .]" 1
1506 1 38 LEU MD2 1 84 LEU HA 4.100 . 6.000 3.717 3.127 4.239 . 0 0 "[ . 1 .]" 1
1507 1 93 SER H 1 93 SER QB 2.900 . 4.000 2.539 1.861 3.140 . 0 0 "[ . 1 .]" 1
1508 1 14 LEU HB2 1 16 THR H 4.700 . 6.000 5.178 4.698 5.871 . 0 0 "[ . 1 .]" 1
1509 1 22 PRO HA 1 22 PRO QD 3.600 . 5.300 3.158 3.062 3.236 . 0 0 "[ . 1 .]" 1
1510 1 21 SER H 1 22 PRO QD 4.600 . 6.000 2.079 2.009 2.137 . 0 0 "[ . 1 .]" 1
1511 1 16 THR H 1 30 ARG QD 3.500 . 5.000 4.593 4.192 4.993 . 0 0 "[ . 1 .]" 1
1512 1 56 HIS H 1 56 HIS HA 2.800 . 3.800 2.122 2.047 2.387 . 0 0 "[ . 1 .]" 1
1513 1 55 LEU QB 1 56 HIS HA 4.900 . 6.000 4.149 3.865 4.389 . 0 0 "[ . 1 .]" 1
1514 1 6 PRO HA 1 6 PRO QG 3.400 . 4.900 2.685 2.512 2.852 . 0 0 "[ . 1 .]" 1
1515 1 16 THR MG 1 51 GLY HA2 3.800 . 5.600 5.548 5.432 5.640 0.040 13 0 "[ . 1 .]" 1
1516 1 14 LEU HA 1 15 VAL MG2 3.500 . 5.000 3.263 2.221 3.496 . 0 0 "[ . 1 .]" 1
1517 1 15 VAL MG2 1 16 THR HA 3.100 . 4.300 3.388 2.898 3.682 . 0 0 "[ . 1 .]" 1
1518 1 16 THR MG 1 28 THR HB 2.300 . 2.900 1.996 1.806 2.110 . 0 0 "[ . 1 .]" 1
1519 1 82 VAL MG1 1 93 SER H 3.500 . 5.100 4.230 3.166 4.984 . 0 0 "[ . 1 .]" 1
1520 1 69 ASN QD 1 82 VAL MG1 4.400 . 6.000 4.041 3.265 4.822 . 0 0 "[ . 1 .]" 1
1521 1 37 VAL QG 1 69 ASN QD 5.200 . 6.000 3.822 3.231 4.191 . 0 0 "[ . 1 .]" 1
1522 1 15 VAL MG1 1 16 THR HA 4.800 . 6.000 3.168 2.951 3.372 . 0 0 "[ . 1 .]" 1
1523 1 15 VAL HB 1 16 THR HA 4.900 . 6.000 4.731 4.121 4.857 . 0 0 "[ . 1 .]" 1
1524 1 14 LEU HA 1 15 VAL HB 4.200 . 6.000 3.894 2.242 4.122 . 0 0 "[ . 1 .]" 1
1525 1 19 CYS QB 1 21 SER H 4.800 . 6.000 3.441 3.109 3.985 . 0 0 "[ . 1 .]" 1
1526 1 19 CYS QB 1 22 PRO HG3 4.700 . 6.000 3.896 3.125 4.051 . 0 0 "[ . 1 .]" 1
1527 1 33 TRP HB3 1 72 CYS HB3 6.000 . 6.000 4.686 3.514 5.610 . 0 0 "[ . 1 .]" 1
1528 1 36 VAL H 1 37 VAL QG 4.000 . 6.000 3.685 3.548 3.945 . 0 0 "[ . 1 .]" 1
1529 1 36 VAL HB 1 38 LEU HG 3.900 . 5.800 5.124 4.194 5.584 . 0 0 "[ . 1 .]" 1
1530 1 20 GLU HB3 1 49 HIS QB 6.000 . 6.000 4.368 3.961 4.780 . 0 0 "[ . 1 .]" 1
1531 1 32 ALA MB 1 54 ASN HB2 4.100 . 6.000 3.980 2.972 4.665 . 0 0 "[ . 1 .]" 1
1532 1 56 HIS H 1 56 HIS HB3 4.500 . 6.000 3.214 2.847 3.466 . 0 0 "[ . 1 .]" 1
1533 1 58 GLU HA 1 58 GLU HG3 3.000 . 4.200 3.350 2.733 4.041 . 0 0 "[ . 1 .]" 1
1534 1 58 GLU HA 1 58 GLU HG2 3.300 . 4.600 3.364 2.751 3.768 . 0 0 "[ . 1 .]" 1
1535 1 44 ARG QB 1 67 PHE QB 4.300 . 6.000 5.607 4.324 6.527 0.527 13 1 "[ . 1 + .]" 1
1536 1 37 VAL QG 1 68 VAL HB 4.700 . 6.000 3.914 2.424 4.763 . 0 0 "[ . 1 .]" 1
1537 1 38 LEU MD2 1 69 ASN QB 3.100 . 4.300 2.753 1.697 3.692 0.203 5 0 "[ . 1 .]" 1
1538 1 16 THR MG 1 17 CYS HB2 5.200 . 6.000 4.194 3.984 4.352 . 0 0 "[ . 1 .]" 1
1539 1 23 HIS HE1 1 79 ASN HB3 2.500 . 6.000 5.936 5.553 6.138 0.138 13 0 "[ . 1 .]" 1
1540 1 23 HIS HE1 1 79 ASN HB2 2.400 . 6.000 5.939 5.690 6.092 0.092 5 0 "[ . 1 .]" 1
1541 1 36 VAL HA 1 84 LEU QD 3.800 . 5.600 2.575 2.224 2.783 . 0 0 "[ . 1 .]" 1
1542 1 85 VAL HB 1 92 PRO QB 2.000 . 6.000 5.062 3.515 6.047 0.047 10 0 "[ . 1 .]" 1
1543 1 32 ALA MB 1 54 ASN HB3 3.700 . 5.400 3.581 2.592 4.028 . 0 0 "[ . 1 .]" 1
1544 1 38 LEU MD1 1 46 PRO HB2 2.800 . 3.800 2.411 1.882 3.160 . 0 0 "[ . 1 .]" 1
1545 1 38 LEU QD 1 41 GLU QB 4.400 . 6.000 3.793 1.850 5.254 0.150 4 0 "[ . 1 .]" 1
1546 1 28 THR MG 1 30 ARG QG 4.500 . 6.000 5.829 5.539 6.084 0.084 7 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 5
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 17 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 72 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 73 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 78 CYS 0.000 0.000 . 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 17 CYS SG 1 34 CYS SG 2.020 . 2.120 2.029 2.024 2.034 . 0 0 "[ . 1 .]" 2
2 1 19 CYS SG 1 24 CYS SG 2.020 . 2.120 2.031 2.024 2.037 . 0 0 "[ . 1 .]" 2
3 1 29 CYS SG 1 52 CYS SG 2.020 . 2.120 2.029 2.023 2.036 . 0 0 "[ . 1 .]" 2
4 1 60 CYS SG 1 72 CYS SG 2.020 . 2.120 2.031 2.028 2.034 . 0 0 "[ . 1 .]" 2
5 1 73 CYS SG 1 78 CYS SG 2.020 . 2.120 2.032 2.028 2.038 . 0 0 "[ . 1 .]" 2
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