NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400119 |
1ujy   |
11356 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ujy
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 1052
_Distance_constraint_stats_list.Viol_count 1524
_Distance_constraint_stats_list.Viol_total 6108.548
_Distance_constraint_stats_list.Viol_max 1.957
_Distance_constraint_stats_list.Viol_rms 0.0998
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.2004
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.136 0.037 15 0 "[ . 1 . 2]"
1 9 HIS 2.004 0.269 14 0 "[ . 1 . 2]"
1 10 GLN 13.418 0.673 20 6 "[ *. - 1* * .* +]"
1 11 LEU 8.033 0.553 19 1 "[ . 1 . +2]"
1 12 ILE 8.889 0.673 20 6 "[ *. - 1* * .* +]"
1 13 VAL 41.121 1.953 18 19 "[** ************-*+**]"
1 14 LYS 1.455 0.149 15 0 "[ . 1 . 2]"
1 15 ALA 1.213 0.123 16 0 "[ . 1 . 2]"
1 16 ARG 11.006 0.636 11 6 "[ . *1+ * .** *]"
1 17 PHE 21.381 1.056 4 20 [***+*************-**]
1 18 ASN 9.209 0.723 4 8 "[* *+* * * * . - 2]"
1 19 PHE 1.349 0.163 18 0 "[ . 1 . 2]"
1 20 LYS 3.491 0.772 16 3 "[ - 1* .+ 2]"
1 21 GLN 7.043 0.457 15 0 "[ . 1 . 2]"
1 22 THR 7.227 0.457 15 0 "[ . 1 . 2]"
1 23 ASN 4.259 0.389 13 0 "[ . 1 . 2]"
1 24 GLU 0.262 0.048 11 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 2.233 0.133 13 0 "[ . 1 . 2]"
1 27 LEU 3.043 0.359 16 0 "[ . 1 . 2]"
1 28 SER 7.409 0.772 16 5 "[- * * 1* .+ 2]"
1 29 VAL 4.285 0.624 16 3 "[- . * 1 .+ 2]"
1 30 CYS 1.113 0.565 4 1 "[ +. 1 . 2]"
1 31 LYS 10.497 0.723 4 8 "[* *+* * * * . - 2]"
1 32 GLY 15.449 1.056 4 19 "[** +*************-**]"
1 33 ASP 3.301 0.442 14 0 "[ . 1 . 2]"
1 34 ILE 9.007 0.900 10 4 "[ - . * + * . 2]"
1 35 ILE 11.361 0.900 10 4 "[ - . * + * . 2]"
1 36 TYR 7.372 0.219 13 0 "[ . 1 . 2]"
1 37 VAL 2.850 0.211 3 0 "[ . 1 . 2]"
1 38 THR 0.385 0.044 20 0 "[ . 1 . 2]"
1 39 ARG 9.772 0.732 20 2 "[ . 1- . +]"
1 40 VAL 4.873 0.265 14 0 "[ . 1 . 2]"
1 41 GLU 3.775 0.732 20 2 "[ . 1* . +]"
1 42 GLU 1.525 0.104 11 0 "[ . 1 . 2]"
1 43 GLY 0.201 0.087 11 0 "[ . 1 . 2]"
1 44 GLY 0.223 0.026 9 0 "[ . 1 . 2]"
1 45 TRP 2.339 0.113 17 0 "[ . 1 . 2]"
1 46 TRP 22.518 0.615 8 5 "[ * . + 1 * . -*2]"
1 47 GLU 10.007 1.729 8 8 "[ ** + ** . * -*]"
1 48 GLY 0.044 0.031 11 0 "[ . 1 . 2]"
1 49 THR 1.518 0.095 11 0 "[ . 1 . 2]"
1 50 LEU 5.045 0.388 16 0 "[ . 1 . 2]"
1 51 ASN 4.299 0.444 16 0 "[ . 1 . 2]"
1 52 GLY 0.175 0.060 11 0 "[ . 1 . 2]"
1 53 ARG 6.718 0.695 16 1 "[ . 1 .+ 2]"
1 54 THR 12.093 1.729 8 8 "[ ** + ** . * -*]"
1 55 GLY 0.092 0.049 15 0 "[ . 1 . 2]"
1 56 TRP 2.059 0.567 20 1 "[ . 1 . +]"
1 57 PHE 1.885 0.813 6 1 "[ .+ 1 . 2]"
1 58 PRO 0.279 0.205 8 0 "[ . 1 . 2]"
1 59 SER 16.617 0.813 6 6 "[ * .+ * 1 * . -*2]"
1 60 ASN 0.036 0.014 3 0 "[ . 1 . 2]"
1 61 TYR 2.972 0.594 16 1 "[ . 1 .+ 2]"
1 62 VAL 1.109 0.268 8 0 "[ . 1 . 2]"
1 63 ARG 0.357 0.357 3 0 "[ . 1 . 2]"
1 64 GLU 56.338 1.635 9 20 [****-***+***********]
1 65 ILE 56.422 1.953 18 20 [***************-*+**]
1 66 LYS 67.653 1.635 9 20 [****-***+***********]
1 67 SER 2.567 1.572 18 1 "[ . 1 . + 2]"
1 68 SER 1.953 0.113 12 0 "[ . 1 . 2]"
1 69 GLU 20.599 1.957 19 17 "[*** ***-***** .***+*]"
1 70 ARG 26.397 1.957 19 17 "[*** ***-***** .***+*]"
1 71 SER 4.909 0.267 6 0 "[ . 1 . 2]"
1 72 GLY 0.038 0.037 17 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
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 7 GLY QA 1 8 SER H . . 3.400 2.304 2.169 2.519 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER H 1 8 SER QB . . 3.690 2.817 2.015 3.383 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER HA 1 9 HIS H . . 3.610 2.617 2.216 3.647 0.037 15 0 "[ . 1 . 2]" 1
4 1 8 SER QB 1 9 HIS H . . 3.590 2.920 2.119 3.551 . 0 0 "[ . 1 . 2]" 1
5 1 9 HIS HA 1 10 GLN H . . 3.420 2.661 2.186 3.642 0.222 13 0 "[ . 1 . 2]" 1
6 1 9 HIS HB2 1 10 GLN H . . 4.200 3.583 2.262 4.469 0.269 14 0 "[ . 1 . 2]" 1
7 1 9 HIS HB3 1 10 GLN H . . 4.430 3.513 2.101 4.475 0.045 20 0 "[ . 1 . 2]" 1
8 1 10 GLN H 1 10 GLN HB2 . . 3.370 3.091 2.078 3.613 0.243 14 0 "[ . 1 . 2]" 1
9 1 10 GLN H 1 10 GLN HB3 . . 3.280 2.986 2.303 3.611 0.331 13 0 "[ . 1 . 2]" 1
10 1 10 GLN H 1 10 GLN QG . . 4.390 3.461 1.955 4.347 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLN HA 1 10 GLN HB3 . . 2.890 2.815 2.372 3.052 0.162 8 0 "[ . 1 . 2]" 1
12 1 10 GLN HA 1 10 GLN QG . . 3.550 2.604 2.036 3.394 . 0 0 "[ . 1 . 2]" 1
13 1 10 GLN HA 1 11 LEU H . . 2.830 2.254 2.202 2.354 . 0 0 "[ . 1 . 2]" 1
14 1 10 GLN HA 1 11 LEU HB2 . . 4.420 4.101 4.011 4.238 . 0 0 "[ . 1 . 2]" 1
15 1 10 GLN HB2 1 11 LEU H . . 4.410 3.971 2.840 4.648 0.238 4 0 "[ . 1 . 2]" 1
16 1 10 GLN HB2 1 12 ILE MD . . 4.540 4.714 4.033 5.213 0.673 20 5 "[ *. - 1 * .* +]" 1
17 1 10 GLN QG 1 11 LEU H . . 4.140 3.242 2.409 4.133 . 0 0 "[ . 1 . 2]" 1
18 1 10 GLN QG 1 11 LEU HA . . 4.730 4.355 3.731 4.734 0.004 19 0 "[ . 1 . 2]" 1
19 1 10 GLN QG 1 12 ILE MD . . 4.660 3.303 2.441 4.314 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLN QG 1 12 ILE HG13 . . 3.770 3.528 2.920 4.275 0.505 11 1 "[ . 1+ . 2]" 1
21 1 11 LEU H 1 11 LEU HB2 . . 3.470 2.489 2.360 2.632 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU H 1 11 LEU HB3 . . 3.410 3.000 2.933 3.070 . 0 0 "[ . 1 . 2]" 1
23 1 11 LEU H 1 11 LEU MD1 . . 4.760 4.424 4.323 4.525 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU H 1 11 LEU MD2 . . 5.410 4.268 4.217 4.307 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU H 1 37 VAL HB . . 4.150 2.848 2.699 2.980 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU H 1 37 VAL MG2 . . 4.000 3.640 3.442 3.756 . 0 0 "[ . 1 . 2]" 1
27 1 11 LEU HA 1 11 LEU MD1 . . 3.880 3.771 3.752 3.789 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU HA 1 11 LEU MD2 . . 3.240 2.222 2.124 2.396 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU HA 1 11 LEU HG . . 3.740 2.470 2.407 2.564 . 0 0 "[ . 1 . 2]" 1
30 1 11 LEU HA 1 12 ILE H . . 3.220 2.180 2.177 2.190 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU HA 1 12 ILE HB . . 4.540 4.414 4.368 4.444 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU HA 1 37 VAL HB . . 5.500 4.317 4.254 4.364 . 0 0 "[ . 1 . 2]" 1
33 1 11 LEU HA 1 37 VAL MG2 . . 4.310 4.434 4.224 4.521 0.211 3 0 "[ . 1 . 2]" 1
34 1 11 LEU HB2 1 11 LEU MD1 . . 3.460 2.413 2.362 2.483 . 0 0 "[ . 1 . 2]" 1
35 1 11 LEU HB2 1 11 LEU MD2 . . 3.450 3.219 3.206 3.222 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU HB2 1 13 VAL MG1 . . 4.420 4.231 4.120 4.419 . 0 0 "[ . 1 . 2]" 1
37 1 11 LEU HB2 1 37 VAL H . . 4.730 3.496 3.297 3.618 . 0 0 "[ . 1 . 2]" 1
38 1 11 LEU HB2 1 37 VAL HB . . 3.470 2.074 2.001 2.147 . 0 0 "[ . 1 . 2]" 1
39 1 11 LEU HB3 1 11 LEU MD1 . . 3.560 2.293 2.220 2.378 . 0 0 "[ . 1 . 2]" 1
40 1 11 LEU HB3 1 11 LEU MD2 . . 3.650 2.441 2.343 2.501 . 0 0 "[ . 1 . 2]" 1
41 1 11 LEU HB3 1 13 VAL MG1 . . 4.740 2.740 2.602 2.981 . 0 0 "[ . 1 . 2]" 1
42 1 11 LEU HB3 1 37 VAL H . . 5.500 2.841 2.664 2.951 . 0 0 "[ . 1 . 2]" 1
43 1 11 LEU HB3 1 37 VAL HB . . 3.600 1.990 1.977 2.014 . 0 0 "[ . 1 . 2]" 1
44 1 11 LEU HB3 1 37 VAL MG1 . . 5.500 3.477 3.416 3.528 . 0 0 "[ . 1 . 2]" 1
45 1 11 LEU HB3 1 37 VAL MG2 . . 3.550 1.970 1.954 2.043 . 0 0 "[ . 1 . 2]" 1
46 1 11 LEU MD1 1 13 VAL MG1 . . 3.080 3.036 2.824 3.087 0.007 12 0 "[ . 1 . 2]" 1
47 1 11 LEU MD1 1 37 VAL H . . 4.720 4.641 4.457 4.737 0.017 13 0 "[ . 1 . 2]" 1
48 1 11 LEU MD1 1 37 VAL HB . . 3.950 2.953 2.768 3.103 . 0 0 "[ . 1 . 2]" 1
49 1 11 LEU MD1 1 37 VAL MG1 . . 3.290 3.074 2.968 3.193 . 0 0 "[ . 1 . 2]" 1
50 1 11 LEU MD1 1 37 VAL MG2 . . 3.080 2.926 2.725 3.089 0.009 18 0 "[ . 1 . 2]" 1
51 1 11 LEU MD1 1 40 VAL QG . . 3.170 2.503 2.350 2.776 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU MD1 1 46 TRP HE3 . . 4.100 4.126 4.099 4.159 0.059 10 0 "[ . 1 . 2]" 1
53 1 11 LEU MD1 1 46 TRP HH2 . . 3.870 1.817 1.795 1.843 . 0 0 "[ . 1 . 2]" 1
54 1 11 LEU MD1 1 46 TRP HZ3 . . 3.690 2.310 2.234 2.519 . 0 0 "[ . 1 . 2]" 1
55 1 11 LEU MD1 1 64 GLU QB . . 4.230 4.021 3.492 4.567 0.337 19 0 "[ . 1 . 2]" 1
56 1 11 LEU MD2 1 12 ILE H . . 3.460 2.203 2.014 2.477 . 0 0 "[ . 1 . 2]" 1
57 1 11 LEU MD2 1 12 ILE HA . . 4.570 4.049 3.877 4.159 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU MD2 1 13 VAL HA . . 5.460 4.107 4.022 4.222 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU MD2 1 13 VAL MG1 . . 2.720 1.943 1.823 2.080 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU MD2 1 46 TRP HH2 . . 4.230 3.676 3.429 3.940 . 0 0 "[ . 1 . 2]" 1
61 1 11 LEU MD2 1 46 TRP HZ3 . . 4.310 3.379 3.091 3.855 . 0 0 "[ . 1 . 2]" 1
62 1 11 LEU MD2 1 64 GLU QB . . 3.230 3.299 2.931 3.783 0.553 19 1 "[ . 1 . +2]" 1
63 1 11 LEU MD2 1 64 GLU QG . . 3.600 2.438 1.819 3.160 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU HG 1 12 ILE H . . 5.210 4.067 4.028 4.094 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU HG 1 13 VAL MG1 . . 4.830 4.324 4.226 4.501 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU HG 1 37 VAL HB . . 4.540 4.339 4.236 4.386 . 0 0 "[ . 1 . 2]" 1
67 1 12 ILE H 1 12 ILE HB . . 3.580 2.292 2.229 2.321 . 0 0 "[ . 1 . 2]" 1
68 1 12 ILE H 1 12 ILE MD . . 3.860 2.407 2.290 2.543 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE H 1 12 ILE HG12 . . 4.170 4.196 4.158 4.234 0.064 13 0 "[ . 1 . 2]" 1
70 1 12 ILE H 1 12 ILE HG13 . . 3.890 3.199 3.097 3.278 . 0 0 "[ . 1 . 2]" 1
71 1 12 ILE H 1 12 ILE MG . . 3.950 3.668 3.630 3.683 . 0 0 "[ . 1 . 2]" 1
72 1 12 ILE H 1 13 VAL MG1 . . 4.900 3.776 3.631 3.915 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE HA 1 12 ILE MD . . 4.200 3.507 3.437 3.586 . 0 0 "[ . 1 . 2]" 1
74 1 12 ILE HA 1 12 ILE HG12 . . 3.810 3.247 3.167 3.319 . 0 0 "[ . 1 . 2]" 1
75 1 12 ILE HA 1 12 ILE HG13 . . 3.830 2.228 2.178 2.251 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE HA 1 12 ILE MG . . 3.130 2.529 2.495 2.597 . 0 0 "[ . 1 . 2]" 1
77 1 12 ILE HA 1 13 VAL MG1 . . 3.970 3.838 3.676 3.967 . 0 0 "[ . 1 . 2]" 1
78 1 12 ILE HA 1 13 VAL MG2 . . 4.110 3.840 3.684 3.952 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE HB 1 12 ILE MD . . 3.360 2.118 2.023 2.135 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE HB 1 13 VAL H . . 4.960 4.537 4.510 4.582 . 0 0 "[ . 1 . 2]" 1
81 1 12 ILE HB 1 13 VAL MG1 . . 4.850 4.669 4.542 4.829 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE HB 1 65 ILE H . . 4.550 4.394 4.160 4.574 0.024 19 0 "[ . 1 . 2]" 1
83 1 12 ILE HB 1 65 ILE HB . . 4.150 3.239 2.968 3.386 . 0 0 "[ . 1 . 2]" 1
84 1 12 ILE HB 1 65 ILE MG . . 4.220 4.036 3.816 4.220 . 0 0 "[ . 1 . 2]" 1
85 1 12 ILE MD 1 12 ILE MG . . 3.660 2.904 2.807 2.977 . 0 0 "[ . 1 . 2]" 1
86 1 12 ILE MD 1 36 TYR QD . . 3.500 3.390 3.332 3.456 . 0 0 "[ . 1 . 2]" 1
87 1 12 ILE MD 1 36 TYR QE . . 3.110 3.145 3.126 3.168 0.058 11 0 "[ . 1 . 2]" 1
88 1 12 ILE HG12 1 13 VAL H . . 5.150 5.143 5.025 5.178 0.028 1 0 "[ . 1 . 2]" 1
89 1 12 ILE HG12 1 36 TYR QD . . 3.360 3.279 3.115 3.370 0.010 14 0 "[ . 1 . 2]" 1
90 1 12 ILE HG12 1 36 TYR QE . . 3.230 2.100 2.008 2.173 . 0 0 "[ . 1 . 2]" 1
91 1 12 ILE HG13 1 13 VAL H . . 4.930 4.383 4.320 4.438 . 0 0 "[ . 1 . 2]" 1
92 1 12 ILE HG13 1 36 TYR QD . . 4.830 1.961 1.947 1.978 . 0 0 "[ . 1 . 2]" 1
93 1 12 ILE HG13 1 36 TYR QE . . 4.040 2.478 2.259 2.707 . 0 0 "[ . 1 . 2]" 1
94 1 12 ILE MG 1 13 VAL H . . 3.350 3.171 2.852 3.310 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE MG 1 13 VAL HA . . 4.960 3.522 3.422 3.670 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE MG 1 36 TYR QD . . 4.010 4.065 4.038 4.092 0.082 16 0 "[ . 1 . 2]" 1
97 1 12 ILE MG 1 36 TYR QE . . 4.170 3.441 3.278 3.568 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE MG 1 65 ILE HB . . 3.970 2.149 1.976 2.531 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE MG 1 65 ILE HG12 . . 4.120 3.270 2.620 4.117 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE MG 1 65 ILE HG13 . . 3.280 2.738 2.182 3.019 . 0 0 "[ . 1 . 2]" 1
101 1 13 VAL H 1 13 VAL MG1 . . 4.300 2.973 2.846 3.142 . 0 0 "[ . 1 . 2]" 1
102 1 13 VAL H 1 13 VAL MG2 . . 3.210 2.165 1.947 2.288 . 0 0 "[ . 1 . 2]" 1
103 1 13 VAL H 1 37 VAL MG2 . . 4.900 3.766 3.403 4.072 . 0 0 "[ . 1 . 2]" 1
104 1 13 VAL H 1 64 GLU HA . . 5.000 4.847 4.529 5.081 0.081 19 0 "[ . 1 . 2]" 1
105 1 13 VAL H 1 65 ILE H . . 4.770 4.780 4.514 4.849 0.079 17 0 "[ . 1 . 2]" 1
106 1 13 VAL H 1 65 ILE MD . . 4.200 5.778 4.531 6.153 1.953 18 19 "[** *-************+**]" 1
107 1 13 VAL HA 1 13 VAL MG1 . . 3.220 2.302 2.222 2.405 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL HA 1 64 GLU H . . 5.150 4.836 4.593 4.967 . 0 0 "[ . 1 . 2]" 1
109 1 13 VAL HA 1 64 GLU HA . . 3.980 2.260 2.005 2.501 . 0 0 "[ . 1 . 2]" 1
110 1 13 VAL HA 1 64 GLU QB . . 4.590 4.214 4.028 4.513 . 0 0 "[ . 1 . 2]" 1
111 1 13 VAL HA 1 65 ILE H . . 4.090 2.581 2.416 2.753 . 0 0 "[ . 1 . 2]" 1
112 1 13 VAL HA 1 65 ILE HB . . 5.500 3.763 3.349 4.030 . 0 0 "[ . 1 . 2]" 1
113 1 13 VAL HA 1 65 ILE MD . . 4.260 3.949 3.243 4.236 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL HA 1 65 ILE HG12 . . 4.360 2.703 2.025 3.982 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL HA 1 65 ILE HG13 . . 4.150 3.653 2.349 4.238 0.088 1 0 "[ . 1 . 2]" 1
116 1 13 VAL HB 1 14 LYS H . . 3.760 3.100 2.838 3.316 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL HB 1 37 VAL MG2 . . 5.500 4.221 4.041 4.495 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL HB 1 65 ILE H . . 3.980 4.391 4.215 4.638 0.658 14 3 "[ . 1 +*- 2]" 1
119 1 13 VAL MG1 1 14 LYS H . . 4.290 4.005 3.860 4.153 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL MG1 1 35 ILE MD . . 5.140 4.901 4.647 5.096 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL MG1 1 37 VAL MG2 . . 2.910 2.193 1.940 2.658 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL MG1 1 46 TRP HE3 . . 4.540 3.806 3.595 4.140 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL MG1 1 46 TRP HH2 . . 3.940 3.931 3.731 3.981 0.041 1 0 "[ . 1 . 2]" 1
124 1 13 VAL MG1 1 46 TRP HZ3 . . 3.200 2.418 2.262 2.507 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL MG1 1 64 GLU H . . 5.500 4.137 3.787 4.484 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL MG1 1 64 GLU HA . . 3.070 2.078 1.902 2.280 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL MG1 1 64 GLU QB . . 3.540 2.322 1.962 2.794 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL MG1 1 64 GLU QG . . 4.070 2.637 2.108 3.127 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL MG1 1 65 ILE H . . 4.060 2.765 2.442 2.936 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL MG2 1 35 ILE H . . 3.490 2.786 2.359 3.008 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL MG2 1 35 ILE HA . . 4.740 4.407 4.047 4.493 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL MG2 1 35 ILE HB . . 3.230 2.396 2.102 2.692 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL MG2 1 35 ILE MD . . 3.870 2.548 2.191 2.861 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL MG2 1 37 VAL MG2 . . 3.130 2.144 1.943 2.420 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL MG2 1 46 TRP HE3 . . 5.080 3.306 3.080 3.601 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL MG2 1 57 PHE QE . . 4.110 2.517 2.187 2.915 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL MG2 1 57 PHE HZ . . 4.370 2.649 2.374 2.989 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL MG2 1 64 GLU HA . . 4.770 4.056 3.825 4.281 . 0 0 "[ . 1 . 2]" 1
139 1 14 LYS H 1 14 LYS HB2 . . 4.190 2.654 2.478 2.858 . 0 0 "[ . 1 . 2]" 1
140 1 14 LYS H 1 14 LYS HB3 . . 4.030 2.602 2.487 2.753 . 0 0 "[ . 1 . 2]" 1
141 1 14 LYS H 1 14 LYS QG . . 4.340 4.059 4.008 4.085 . 0 0 "[ . 1 . 2]" 1
142 1 14 LYS H 1 15 ALA H . . 4.870 4.559 4.517 4.607 . 0 0 "[ . 1 . 2]" 1
143 1 14 LYS H 1 34 ILE MD . . 4.110 3.053 2.666 4.152 0.042 8 0 "[ . 1 . 2]" 1
144 1 14 LYS H 1 64 GLU H . . 5.500 4.800 4.539 5.055 . 0 0 "[ . 1 . 2]" 1
145 1 14 LYS H 1 64 GLU HA . . 4.950 3.412 3.142 3.651 . 0 0 "[ . 1 . 2]" 1
146 1 14 LYS H 1 65 ILE H . . 4.650 4.138 3.893 4.487 . 0 0 "[ . 1 . 2]" 1
147 1 14 LYS H 1 65 ILE MD . . 4.340 3.293 2.389 3.725 . 0 0 "[ . 1 . 2]" 1
148 1 14 LYS H 1 65 ILE HG12 . . 5.470 2.741 2.215 3.836 . 0 0 "[ . 1 . 2]" 1
149 1 14 LYS H 1 65 ILE HG13 . . 4.310 3.596 2.319 4.132 . 0 0 "[ . 1 . 2]" 1
150 1 14 LYS HA 1 14 LYS QD . . 5.000 2.241 1.945 2.529 . 0 0 "[ . 1 . 2]" 1
151 1 14 LYS HA 1 14 LYS QE . . 5.180 3.991 3.852 4.341 . 0 0 "[ . 1 . 2]" 1
152 1 14 LYS HA 1 14 LYS QG . . 3.420 2.591 2.374 2.835 . 0 0 "[ . 1 . 2]" 1
153 1 14 LYS HA 1 15 ALA H . . 3.220 2.269 2.204 2.373 . 0 0 "[ . 1 . 2]" 1
154 1 14 LYS HA 1 15 ALA HA . . 5.160 4.297 4.288 4.313 . 0 0 "[ . 1 . 2]" 1
155 1 14 LYS HA 1 15 ALA MB . . 4.200 3.985 3.945 4.007 . 0 0 "[ . 1 . 2]" 1
156 1 14 LYS HA 1 34 ILE H . . 5.500 3.908 2.750 4.306 . 0 0 "[ . 1 . 2]" 1
157 1 14 LYS HA 1 34 ILE HA . . 3.850 2.176 1.997 2.449 . 0 0 "[ . 1 . 2]" 1
158 1 14 LYS HA 1 34 ILE MD . . 3.740 2.351 2.013 3.343 . 0 0 "[ . 1 . 2]" 1
159 1 14 LYS HA 1 34 ILE MG . . 4.970 4.506 4.263 4.764 . 0 0 "[ . 1 . 2]" 1
160 1 14 LYS HA 1 35 ILE H . . 4.950 3.356 3.109 3.654 . 0 0 "[ . 1 . 2]" 1
161 1 14 LYS HA 1 35 ILE MD . . 5.450 3.326 2.845 3.992 . 0 0 "[ . 1 . 2]" 1
162 1 14 LYS HA 1 65 ILE MD . . 4.930 4.656 3.834 4.919 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS HB2 1 14 LYS QE . . 3.580 2.633 2.237 3.533 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS HB2 1 15 ALA H . . 4.920 4.240 4.150 4.314 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS HB2 1 34 ILE MD . . 3.610 2.019 1.936 2.626 . 0 0 "[ . 1 . 2]" 1
166 1 14 LYS HB3 1 34 ILE MD . . 3.930 3.436 3.298 3.958 0.028 20 0 "[ . 1 . 2]" 1
167 1 14 LYS QD 1 15 ALA H . . 4.160 3.096 2.468 3.429 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS QD 1 32 GLY HA2 . . 4.220 2.147 1.898 2.376 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS QD 1 32 GLY HA3 . . 5.500 3.473 3.320 3.637 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS QD 1 33 ASP H . . 5.500 2.256 1.874 3.123 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS QD 1 33 ASP HA . . 4.950 3.370 3.130 4.426 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS QD 1 34 ILE H . . 3.850 2.399 1.883 2.554 . 0 0 "[ . 1 . 2]" 1
173 1 14 LYS QD 1 34 ILE HB . . 3.270 3.196 2.972 3.347 0.077 20 0 "[ . 1 . 2]" 1
174 1 14 LYS QD 1 34 ILE MD . . 3.330 2.130 1.848 2.251 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS QD 1 34 ILE QG . . 2.730 1.978 1.740 2.268 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS QD 1 35 ILE H . . 5.420 4.344 4.009 4.781 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS QE 1 14 LYS QG . . 3.140 2.154 1.942 2.534 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS QE 1 32 GLY HA2 . . 4.060 2.874 1.970 3.262 . 0 0 "[ . 1 . 2]" 1
179 1 14 LYS QE 1 32 GLY HA3 . . 4.460 3.881 3.022 4.365 . 0 0 "[ . 1 . 2]" 1
180 1 14 LYS QE 1 34 ILE MD . . 3.230 2.756 1.785 3.379 0.149 15 0 "[ . 1 . 2]" 1
181 1 14 LYS QE 1 34 ILE QG . . 5.350 2.359 1.927 3.797 . 0 0 "[ . 1 . 2]" 1
182 1 14 LYS QE 1 65 ILE MD . . 5.200 3.524 2.493 4.538 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS QG 1 15 ALA H . . 3.900 2.258 1.927 2.658 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS QG 1 15 ALA MB . . 3.740 3.351 3.221 3.448 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS QG 1 32 GLY HA2 . . 3.800 2.475 1.982 2.668 . 0 0 "[ . 1 . 2]" 1
186 1 14 LYS QG 1 32 GLY HA3 . . 4.000 3.964 3.400 4.062 0.062 14 0 "[ . 1 . 2]" 1
187 1 14 LYS QG 1 34 ILE MD . . 3.440 3.463 3.305 3.532 0.092 11 0 "[ . 1 . 2]" 1
188 1 15 ALA H 1 15 ALA MB . . 3.230 2.094 2.051 2.152 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA H 1 16 ARG H . . 5.410 4.626 4.544 4.670 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA H 1 31 LYS HA . . 5.500 4.975 4.283 5.191 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA H 1 32 GLY H . . 4.940 4.173 3.328 4.500 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA H 1 32 GLY HA2 . . 5.500 4.216 3.411 4.491 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA H 1 33 ASP H . . 5.020 2.613 2.307 3.064 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA H 1 34 ILE HA . . 5.060 3.745 3.296 4.156 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA H 1 34 ILE MD . . 4.700 4.269 3.997 4.793 0.093 13 0 "[ . 1 . 2]" 1
196 1 15 ALA H 1 35 ILE H . . 5.060 4.661 4.387 4.988 . 0 0 "[ . 1 . 2]" 1
197 1 15 ALA H 1 35 ILE MD . . 4.280 2.857 2.420 3.277 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA H 1 62 VAL QG . . 5.020 3.909 3.361 4.442 . 0 0 "[ . 1 . 2]" 1
199 1 15 ALA HA 1 16 ARG H . . 3.560 2.506 2.305 2.752 . 0 0 "[ . 1 . 2]" 1
200 1 15 ALA HA 1 16 ARG HB3 . . 5.500 4.744 4.524 5.005 . 0 0 "[ . 1 . 2]" 1
201 1 15 ALA HA 1 17 PHE H . . 4.720 4.720 4.285 4.843 0.123 16 0 "[ . 1 . 2]" 1
202 1 15 ALA HA 1 35 ILE MD . . 4.490 3.059 2.841 3.372 . 0 0 "[ . 1 . 2]" 1
203 1 15 ALA HA 1 62 VAL HA . . 4.180 2.810 2.491 3.343 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA HA 1 62 VAL HB . . 4.830 2.471 1.965 4.328 . 0 0 "[ . 1 . 2]" 1
205 1 15 ALA HA 1 62 VAL QG . . 3.270 2.033 1.741 2.616 . 0 0 "[ . 1 . 2]" 1
206 1 15 ALA MB 1 16 ARG H . . 3.670 2.417 1.972 2.836 . 0 0 "[ . 1 . 2]" 1
207 1 15 ALA MB 1 17 PHE H . . 3.780 3.382 3.164 3.655 . 0 0 "[ . 1 . 2]" 1
208 1 15 ALA MB 1 29 VAL HB . . 4.150 2.480 1.949 3.694 . 0 0 "[ . 1 . 2]" 1
209 1 15 ALA MB 1 29 VAL QG . . 3.070 2.057 1.528 2.436 . 0 0 "[ . 1 . 2]" 1
210 1 15 ALA MB 1 30 CYS H . . 5.500 3.794 3.410 4.189 . 0 0 "[ . 1 . 2]" 1
211 1 15 ALA MB 1 31 LYS HA . . 3.640 2.897 2.495 3.166 . 0 0 "[ . 1 . 2]" 1
212 1 15 ALA MB 1 32 GLY H . . 3.680 3.218 2.898 3.653 . 0 0 "[ . 1 . 2]" 1
213 1 15 ALA MB 1 32 GLY HA2 . . 4.400 4.230 3.835 4.429 0.029 9 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 33 ASP H . . 3.490 2.649 2.180 3.068 . 0 0 "[ . 1 . 2]" 1
215 1 15 ALA MB 1 33 ASP HB2 . . 3.920 3.080 2.700 3.678 . 0 0 "[ . 1 . 2]" 1
216 1 15 ALA MB 1 33 ASP HB3 . . 4.730 4.114 3.178 4.756 0.026 14 0 "[ . 1 . 2]" 1
217 1 15 ALA MB 1 35 ILE MD . . 3.500 2.272 1.992 2.520 . 0 0 "[ . 1 . 2]" 1
218 1 15 ALA MB 1 62 VAL HA . . 4.500 4.205 3.930 4.475 . 0 0 "[ . 1 . 2]" 1
219 1 15 ALA MB 1 62 VAL QG . . 3.360 2.820 2.516 3.150 . 0 0 "[ . 1 . 2]" 1
220 1 16 ARG H 1 16 ARG HB3 . . 4.120 2.508 2.328 2.666 . 0 0 "[ . 1 . 2]" 1
221 1 16 ARG H 1 16 ARG HG2 . . 4.260 4.382 4.215 4.622 0.362 11 0 "[ . 1 . 2]" 1
222 1 16 ARG H 1 17 PHE H . . 3.730 2.359 1.989 2.826 . 0 0 "[ . 1 . 2]" 1
223 1 16 ARG H 1 17 PHE QD . . 5.500 4.406 3.828 5.098 . 0 0 "[ . 1 . 2]" 1
224 1 16 ARG H 1 62 VAL HA . . 4.600 2.862 2.098 3.557 . 0 0 "[ . 1 . 2]" 1
225 1 16 ARG H 1 62 VAL QG . . 3.970 2.785 1.973 3.354 . 0 0 "[ . 1 . 2]" 1
226 1 16 ARG HA 1 16 ARG HD2 . . 5.370 4.309 3.876 4.575 . 0 0 "[ . 1 . 2]" 1
227 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.781 4.440 4.998 . 0 0 "[ . 1 . 2]" 1
228 1 16 ARG HA 1 16 ARG HG2 . . 3.080 3.240 2.884 3.642 0.562 17 4 "[ . *1- .*+ 2]" 1
229 1 16 ARG HA 1 31 LYS QG . . 4.790 4.670 4.185 4.819 0.029 12 0 "[ . 1 . 2]" 1
230 1 16 ARG HA 1 32 GLY H . . 5.500 5.451 5.036 5.534 0.034 16 0 "[ . 1 . 2]" 1
231 1 16 ARG HB2 1 17 PHE H . . 5.200 3.713 3.441 3.960 . 0 0 "[ . 1 . 2]" 1
232 1 16 ARG HB2 1 17 PHE QD . . 4.990 4.020 3.534 4.404 . 0 0 "[ . 1 . 2]" 1
233 1 16 ARG HB2 1 62 VAL QG . . 5.500 3.761 3.246 4.036 . 0 0 "[ . 1 . 2]" 1
234 1 16 ARG HB3 1 16 ARG HD2 . . 3.360 2.694 2.118 3.161 . 0 0 "[ . 1 . 2]" 1
235 1 16 ARG HB3 1 16 ARG HD3 . . 3.310 3.253 2.606 3.946 0.636 11 6 "[ . *1+ * .** -]" 1
236 1 16 ARG HB3 1 17 PHE H . . 4.390 2.285 1.987 2.593 . 0 0 "[ . 1 . 2]" 1
237 1 16 ARG HB3 1 17 PHE HA . . 5.390 4.681 4.460 4.871 . 0 0 "[ . 1 . 2]" 1
238 1 16 ARG HB3 1 17 PHE QD . . 4.090 2.482 1.980 3.084 . 0 0 "[ . 1 . 2]" 1
239 1 16 ARG HB3 1 17 PHE QE . . 4.860 3.949 3.344 4.498 . 0 0 "[ . 1 . 2]" 1
240 1 16 ARG HD2 1 17 PHE QD . . 4.370 3.557 1.983 4.290 . 0 0 "[ . 1 . 2]" 1
241 1 16 ARG HD2 1 17 PHE QE . . 4.780 4.411 3.153 4.887 0.107 10 0 "[ . 1 . 2]" 1
242 1 16 ARG HD3 1 17 PHE QE . . 4.980 4.098 2.466 4.978 . 0 0 "[ . 1 . 2]" 1
243 1 16 ARG HG2 1 17 PHE H . . 4.370 3.502 3.243 3.862 . 0 0 "[ . 1 . 2]" 1
244 1 16 ARG HG2 1 17 PHE QD . . 5.500 2.525 1.896 3.043 . 0 0 "[ . 1 . 2]" 1
245 1 16 ARG HG2 1 62 VAL HA . . 5.500 5.405 4.949 5.768 0.268 8 0 "[ . 1 . 2]" 1
246 1 16 ARG HG3 1 17 PHE H . . 5.500 4.406 3.966 4.675 . 0 0 "[ . 1 . 2]" 1
247 1 17 PHE H 1 17 PHE HB2 . . 4.130 3.860 3.839 3.876 . 0 0 "[ . 1 . 2]" 1
248 1 17 PHE H 1 17 PHE HB3 . . 3.840 3.122 3.011 3.235 . 0 0 "[ . 1 . 2]" 1
249 1 17 PHE H 1 17 PHE QD . . 4.770 2.764 2.046 3.261 . 0 0 "[ . 1 . 2]" 1
250 1 17 PHE H 1 18 ASN H . . 5.240 4.368 4.328 4.419 . 0 0 "[ . 1 . 2]" 1
251 1 17 PHE H 1 31 LYS QG . . 5.500 4.573 4.134 4.953 . 0 0 "[ . 1 . 2]" 1
252 1 17 PHE H 1 32 GLY H . . 5.500 6.253 5.997 6.556 1.056 4 19 "[** +*************-**]" 1
253 1 17 PHE H 1 61 TYR QB . . 4.690 4.453 4.008 4.849 0.159 16 0 "[ . 1 . 2]" 1
254 1 17 PHE H 1 62 VAL HA . . 5.500 4.907 4.553 5.262 . 0 0 "[ . 1 . 2]" 1
255 1 17 PHE H 1 62 VAL QG . . 5.500 4.403 3.596 4.880 . 0 0 "[ . 1 . 2]" 1
256 1 17 PHE HA 1 17 PHE QD . . 3.720 3.729 3.664 3.760 0.040 20 0 "[ . 1 . 2]" 1
257 1 17 PHE HA 1 18 ASN H . . 3.450 2.689 2.504 2.787 . 0 0 "[ . 1 . 2]" 1
258 1 17 PHE HA 1 31 LYS QG . . 5.000 2.736 1.837 3.535 . 0 0 "[ . 1 . 2]" 1
259 1 17 PHE HB2 1 18 ASN H . . 3.900 2.258 2.019 2.621 . 0 0 "[ . 1 . 2]" 1
260 1 17 PHE HB2 1 31 LYS QG . . 5.050 4.860 3.330 5.708 0.658 3 1 "[ + . 1 . 2]" 1
261 1 17 PHE HB3 1 18 ASN H . . 4.000 3.739 3.575 3.994 . 0 0 "[ . 1 . 2]" 1
262 1 17 PHE QD 1 18 ASN H . . 4.360 2.397 2.095 2.656 . 0 0 "[ . 1 . 2]" 1
263 1 17 PHE QD 1 18 ASN QB . . 4.430 2.804 2.605 3.060 . 0 0 "[ . 1 . 2]" 1
264 1 17 PHE QD 1 31 LYS QD . . 5.500 4.868 4.373 5.366 . 0 0 "[ . 1 . 2]" 1
265 1 17 PHE QD 1 61 TYR QB . . 4.770 3.992 2.750 5.364 0.594 16 1 "[ . 1 .+ 2]" 1
266 1 17 PHE QE 1 18 ASN H . . 4.660 4.664 4.358 4.978 0.318 16 0 "[ . 1 . 2]" 1
267 1 17 PHE QE 1 18 ASN QB . . 4.040 3.999 3.565 4.113 0.073 16 0 "[ . 1 . 2]" 1
268 1 18 ASN H 1 18 ASN QB . . 3.600 2.450 2.017 2.674 . 0 0 "[ . 1 . 2]" 1
269 1 18 ASN H 1 19 PHE H . . 4.930 4.377 4.247 4.536 . 0 0 "[ . 1 . 2]" 1
270 1 18 ASN H 1 31 LYS HB2 . . 5.030 4.367 3.605 4.993 . 0 0 "[ . 1 . 2]" 1
271 1 18 ASN H 1 31 LYS QD . . 5.470 3.273 2.434 4.146 . 0 0 "[ . 1 . 2]" 1
272 1 18 ASN H 1 31 LYS QG . . 5.500 4.491 2.831 5.446 . 0 0 "[ . 1 . 2]" 1
273 1 18 ASN HA 1 19 PHE H . . 3.460 2.276 2.255 2.321 . 0 0 "[ . 1 . 2]" 1
274 1 18 ASN QB 1 19 PHE H . . 3.900 3.662 3.346 3.962 0.062 16 0 "[ . 1 . 2]" 1
275 1 18 ASN QB 1 31 LYS HB2 . . 4.740 5.076 4.270 5.463 0.723 4 8 "[* *+* * * * . - 2]" 1
276 1 19 PHE H 1 19 PHE HB2 . . 4.140 2.884 2.657 3.224 . 0 0 "[ . 1 . 2]" 1
277 1 19 PHE H 1 19 PHE HB3 . . 4.020 2.295 2.143 2.481 . 0 0 "[ . 1 . 2]" 1
278 1 19 PHE H 1 19 PHE QD . . 5.390 4.032 3.880 4.126 . 0 0 "[ . 1 . 2]" 1
279 1 19 PHE H 1 20 LYS H . . 5.430 4.413 3.925 4.598 . 0 0 "[ . 1 . 2]" 1
280 1 19 PHE H 1 29 VAL HB . . 5.040 4.736 4.344 5.203 0.163 18 0 "[ . 1 . 2]" 1
281 1 19 PHE H 1 29 VAL QG . . 4.510 3.168 2.349 3.685 . 0 0 "[ . 1 . 2]" 1
282 1 19 PHE HA 1 19 PHE QD . . 3.660 2.845 2.273 3.171 . 0 0 "[ . 1 . 2]" 1
283 1 19 PHE HA 1 20 LYS H . . 3.360 2.255 2.194 2.376 . 0 0 "[ . 1 . 2]" 1
284 1 19 PHE HA 1 20 LYS HB2 . . 4.800 4.448 4.240 4.698 . 0 0 "[ . 1 . 2]" 1
285 1 19 PHE HA 1 20 LYS HB3 . . 4.650 4.622 4.444 4.753 0.103 14 0 "[ . 1 . 2]" 1
286 1 19 PHE HB2 1 20 LYS H . . 5.060 4.255 3.970 4.531 . 0 0 "[ . 1 . 2]" 1
287 1 19 PHE HB2 1 29 VAL H . . 5.500 4.420 3.672 5.021 . 0 0 "[ . 1 . 2]" 1
288 1 19 PHE HB2 1 29 VAL HB . . 5.410 5.094 4.673 5.406 . 0 0 "[ . 1 . 2]" 1
289 1 19 PHE HB2 1 29 VAL QG . . 3.570 2.819 2.018 3.357 . 0 0 "[ . 1 . 2]" 1
290 1 19 PHE HB3 1 20 LYS H . . 4.960 4.287 3.961 4.620 . 0 0 "[ . 1 . 2]" 1
291 1 19 PHE HB3 1 29 VAL H . . 5.350 2.719 1.949 3.333 . 0 0 "[ . 1 . 2]" 1
292 1 19 PHE HB3 1 29 VAL HB . . 4.250 3.918 3.591 4.260 0.010 15 0 "[ . 1 . 2]" 1
293 1 19 PHE HB3 1 29 VAL QG . . 3.510 1.890 1.751 1.980 . 0 0 "[ . 1 . 2]" 1
294 1 19 PHE QD 1 20 LYS H . . 4.570 3.447 2.420 4.274 . 0 0 "[ . 1 . 2]" 1
295 1 19 PHE QD 1 28 SER H . . 5.500 5.005 4.305 5.446 . 0 0 "[ . 1 . 2]" 1
296 1 19 PHE QD 1 29 VAL H . . 4.710 2.111 1.926 2.550 . 0 0 "[ . 1 . 2]" 1
297 1 19 PHE QD 1 29 VAL HB . . 5.500 4.577 3.727 5.210 . 0 0 "[ . 1 . 2]" 1
298 1 19 PHE QD 1 29 VAL QG . . 3.710 2.253 1.970 2.697 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE QE 1 21 GLN HA . . 3.480 2.924 2.158 3.388 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE QE 1 21 GLN QB . . 3.810 3.419 2.874 3.590 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE QE 1 22 THR H . . 4.670 4.473 3.953 4.703 0.033 3 0 "[ . 1 . 2]" 1
302 1 19 PHE HZ 1 45 TRP HH2 . . 4.760 4.187 3.331 4.751 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE HZ 1 45 TRP HZ3 . . 5.250 3.179 2.014 4.002 . 0 0 "[ . 1 . 2]" 1
304 1 20 LYS H 1 20 LYS HB2 . . 3.540 2.830 2.397 3.108 . 0 0 "[ . 1 . 2]" 1
305 1 20 LYS H 1 20 LYS HB3 . . 3.540 2.546 2.337 2.691 . 0 0 "[ . 1 . 2]" 1
306 1 20 LYS H 1 20 LYS QG . . 4.210 4.032 3.912 4.162 . 0 0 "[ . 1 . 2]" 1
307 1 20 LYS HA 1 20 LYS QG . . 3.910 2.403 2.213 2.720 . 0 0 "[ . 1 . 2]" 1
308 1 20 LYS HA 1 21 GLN H . . 3.180 2.224 2.177 2.297 . 0 0 "[ . 1 . 2]" 1
309 1 20 LYS HA 1 21 GLN HG2 . . 5.300 4.127 3.984 4.495 . 0 0 "[ . 1 . 2]" 1
310 1 20 LYS HA 1 28 SER HA . . 4.450 4.387 4.191 4.479 0.029 3 0 "[ . 1 . 2]" 1
311 1 20 LYS HA 1 28 SER HB2 . . 4.840 4.636 3.943 5.612 0.772 16 3 "[ - 1* .+ 2]" 1
312 1 20 LYS HA 1 29 VAL H . . 5.080 4.646 4.148 5.083 0.003 15 0 "[ . 1 . 2]" 1
313 1 20 LYS HB3 1 21 GLN H . . 4.460 4.183 3.900 4.465 0.005 6 0 "[ . 1 . 2]" 1
314 1 20 LYS QG 1 21 GLN H . . 4.790 2.428 2.060 2.885 . 0 0 "[ . 1 . 2]" 1
315 1 20 LYS QG 1 21 GLN HA . . 5.130 4.290 3.998 4.779 . 0 0 "[ . 1 . 2]" 1
316 1 20 LYS QG 1 21 GLN HG2 . . 5.490 3.308 3.053 3.607 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLN H 1 21 GLN QB . . 3.870 2.489 2.358 2.607 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLN H 1 21 GLN HE21 . . 5.100 4.855 4.685 5.032 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLN H 1 21 GLN HG2 . . 3.830 2.086 1.948 2.413 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLN H 1 21 GLN HG3 . . 4.470 3.459 3.315 3.741 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLN H 1 22 THR H . . 5.330 4.626 4.599 4.647 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLN H 1 23 ASN H . . 5.500 5.131 4.954 5.456 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLN H 1 28 SER HA . . 4.420 3.689 3.417 4.005 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLN H 1 28 SER HB2 . . 4.400 3.437 2.561 4.424 0.024 16 0 "[ . 1 . 2]" 1
325 1 21 GLN H 1 28 SER HB3 . . 5.500 4.266 3.015 5.104 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLN H 1 29 VAL H . . 5.090 4.986 4.594 5.148 0.058 9 0 "[ . 1 . 2]" 1
327 1 21 GLN HA 1 21 GLN HG3 . . 4.090 3.789 3.709 3.843 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLN HA 1 22 THR H . . 3.300 2.313 2.275 2.346 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLN HA 1 22 THR MG . . 4.020 3.526 3.185 4.013 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLN HA 1 23 ASN H . . 3.920 3.813 3.677 3.917 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLN HA 1 26 GLU HB2 . . 5.500 4.672 4.327 5.060 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLN HA 1 26 GLU HB3 . . 3.840 3.498 3.092 3.749 . 0 0 "[ . 1 . 2]" 1
333 1 21 GLN QB 1 21 GLN HE21 . . 4.180 2.033 1.896 2.228 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLN QB 1 21 GLN HE22 . . 4.480 3.275 3.201 3.370 . 0 0 "[ . 1 . 2]" 1
335 1 21 GLN QB 1 22 THR H . . 4.510 2.916 2.807 3.045 . 0 0 "[ . 1 . 2]" 1
336 1 21 GLN QB 1 22 THR HA . . 4.470 4.795 4.693 4.927 0.457 15 0 "[ . 1 . 2]" 1
337 1 21 GLN QB 1 22 THR MG . . 5.500 4.248 3.787 4.544 . 0 0 "[ . 1 . 2]" 1
338 1 21 GLN QB 1 23 ASN H . . 3.860 2.640 2.504 2.814 . 0 0 "[ . 1 . 2]" 1
339 1 21 GLN QB 1 26 GLU HB3 . . 3.390 2.172 1.978 2.641 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLN QB 1 28 SER H . . 5.300 3.881 3.421 4.216 . 0 0 "[ . 1 . 2]" 1
341 1 21 GLN QB 1 28 SER HA . . 5.500 2.567 2.240 2.893 . 0 0 "[ . 1 . 2]" 1
342 1 21 GLN HE21 1 22 THR H . . 4.820 4.777 4.631 4.865 0.045 13 0 "[ . 1 . 2]" 1
343 1 21 GLN HE21 1 23 ASN HA . . 5.500 4.859 4.476 5.337 . 0 0 "[ . 1 . 2]" 1
344 1 21 GLN HE21 1 24 GLU HA . . 3.570 2.868 2.488 3.413 . 0 0 "[ . 1 . 2]" 1
345 1 21 GLN HE21 1 26 GLU HB3 . . 4.130 3.098 2.584 3.638 . 0 0 "[ . 1 . 2]" 1
346 1 21 GLN HE22 1 21 GLN HG3 . . 4.110 3.693 3.626 3.755 . 0 0 "[ . 1 . 2]" 1
347 1 21 GLN HE22 1 24 GLU HA . . 3.830 2.493 2.070 2.945 . 0 0 "[ . 1 . 2]" 1
348 1 21 GLN HG2 1 22 THR H . . 5.500 4.703 4.499 4.843 . 0 0 "[ . 1 . 2]" 1
349 1 21 GLN HG2 1 23 ASN H . . 4.570 4.139 3.660 4.618 0.048 18 0 "[ . 1 . 2]" 1
350 1 21 GLN HG2 1 28 SER HA . . 5.390 4.619 4.164 5.091 . 0 0 "[ . 1 . 2]" 1
351 1 21 GLN HG3 1 23 ASN H . . 4.330 2.617 2.102 3.131 . 0 0 "[ . 1 . 2]" 1
352 1 22 THR H 1 22 THR HB . . 4.110 3.273 2.515 3.577 . 0 0 "[ . 1 . 2]" 1
353 1 22 THR H 1 22 THR MG . . 3.860 2.087 1.944 2.305 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR H 1 23 ASN H . . 3.570 2.454 2.229 2.533 . 0 0 "[ . 1 . 2]" 1
355 1 22 THR H 1 23 ASN HA . . 5.020 5.020 4.848 5.073 0.053 12 0 "[ . 1 . 2]" 1
356 1 22 THR H 1 26 GLU H . . 5.500 5.022 4.772 5.306 . 0 0 "[ . 1 . 2]" 1
357 1 22 THR H 1 26 GLU HB3 . . 5.060 3.113 2.718 3.455 . 0 0 "[ . 1 . 2]" 1
358 1 22 THR HA 1 22 THR MG . . 3.450 2.675 2.332 3.244 . 0 0 "[ . 1 . 2]" 1
359 1 22 THR HB 1 23 ASN H . . 4.300 4.233 4.110 4.298 . 0 0 "[ . 1 . 2]" 1
360 1 22 THR MG 1 23 ASN H . . 4.780 3.608 2.388 4.126 . 0 0 "[ . 1 . 2]" 1
361 1 23 ASN H 1 24 GLU H . . 5.320 4.336 4.294 4.385 . 0 0 "[ . 1 . 2]" 1
362 1 23 ASN H 1 26 GLU H . . 4.390 3.423 3.265 3.658 . 0 0 "[ . 1 . 2]" 1
363 1 23 ASN H 1 26 GLU HB2 . . 5.090 3.022 2.599 3.391 . 0 0 "[ . 1 . 2]" 1
364 1 23 ASN H 1 26 GLU HB3 . . 4.410 3.018 2.026 3.624 . 0 0 "[ . 1 . 2]" 1
365 1 23 ASN HA 1 24 GLU HA . . 5.050 4.313 4.301 4.337 . 0 0 "[ . 1 . 2]" 1
366 1 23 ASN HB2 1 23 ASN HD22 . . 3.890 3.758 3.447 4.156 0.266 1 0 "[ . 1 . 2]" 1
367 1 23 ASN HB2 1 24 GLU H . . 3.930 3.832 3.586 3.978 0.048 11 0 "[ . 1 . 2]" 1
368 1 23 ASN HB2 1 26 GLU HB2 . . 3.720 3.482 2.545 3.713 . 0 0 "[ . 1 . 2]" 1
369 1 23 ASN HB3 1 23 ASN HD22 . . 3.760 3.739 3.487 4.149 0.389 13 0 "[ . 1 . 2]" 1
370 1 23 ASN HB3 1 24 GLU H . . 3.800 2.554 2.055 3.467 . 0 0 "[ . 1 . 2]" 1
371 1 23 ASN HB3 1 25 ASP H . . 4.430 2.163 2.007 2.491 . 0 0 "[ . 1 . 2]" 1
372 1 23 ASN HB3 1 26 GLU H . . 4.510 3.514 2.330 3.908 . 0 0 "[ . 1 . 2]" 1
373 1 24 GLU H 1 24 GLU HB2 . . 3.770 3.555 3.540 3.578 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLU H 1 24 GLU HB3 . . 3.580 2.608 2.449 2.745 . 0 0 "[ . 1 . 2]" 1
375 1 24 GLU H 1 24 GLU QG . . 3.320 2.064 1.913 2.649 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLU H 1 25 ASP H . . 4.290 2.605 2.407 2.722 . 0 0 "[ . 1 . 2]" 1
377 1 24 GLU H 1 26 GLU H . . 4.990 4.285 3.964 4.509 . 0 0 "[ . 1 . 2]" 1
378 1 24 GLU HA 1 24 GLU QG . . 3.670 3.351 3.314 3.403 . 0 0 "[ . 1 . 2]" 1
379 1 24 GLU HA 1 25 ASP QB . . 5.480 5.135 5.069 5.268 . 0 0 "[ . 1 . 2]" 1
380 1 24 GLU HA 1 26 GLU H . . 4.710 3.922 3.278 4.281 . 0 0 "[ . 1 . 2]" 1
381 1 24 GLU HB2 1 25 ASP H . . 4.760 4.216 4.014 4.353 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLU HB3 1 25 ASP H . . 4.830 4.333 4.202 4.473 . 0 0 "[ . 1 . 2]" 1
383 1 24 GLU QG 1 25 ASP H . . 4.550 2.555 2.261 2.861 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLU QG 1 25 ASP HA . . 4.130 3.631 3.192 4.058 . 0 0 "[ . 1 . 2]" 1
385 1 25 ASP H 1 25 ASP QB . . 3.450 2.105 1.987 2.262 . 0 0 "[ . 1 . 2]" 1
386 1 25 ASP H 1 26 GLU H . . 3.610 2.437 2.125 2.731 . 0 0 "[ . 1 . 2]" 1
387 1 25 ASP QB 1 26 GLU H . . 4.170 2.891 2.465 3.563 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLU H 1 26 GLU HB2 . . 3.340 2.358 2.089 3.162 . 0 0 "[ . 1 . 2]" 1
389 1 26 GLU H 1 26 GLU HB3 . . 3.790 2.878 2.363 3.065 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLU H 1 26 GLU QG . . 3.940 3.903 3.661 3.970 0.030 11 0 "[ . 1 . 2]" 1
391 1 26 GLU H 1 27 LEU H . . 4.490 4.549 4.438 4.623 0.133 13 0 "[ . 1 . 2]" 1
392 1 26 GLU HA 1 26 GLU QG . . 3.400 2.174 2.005 2.526 . 0 0 "[ . 1 . 2]" 1
393 1 26 GLU HA 1 27 LEU H . . 3.560 2.593 2.339 2.809 . 0 0 "[ . 1 . 2]" 1
394 1 26 GLU HA 1 27 LEU HB2 . . 5.500 4.226 4.165 4.301 . 0 0 "[ . 1 . 2]" 1
395 1 26 GLU HA 1 27 LEU HB3 . . 5.500 5.351 5.175 5.579 0.079 15 0 "[ . 1 . 2]" 1
396 1 26 GLU HA 1 27 LEU QD . . 5.250 4.692 3.996 5.030 . 0 0 "[ . 1 . 2]" 1
397 1 26 GLU HA 1 55 GLY HA3 . . 4.980 2.616 2.128 2.883 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLU HA 1 56 TRP H . . 4.140 1.935 1.911 2.019 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLU HA 1 56 TRP HB2 . . 3.960 3.613 3.393 3.980 0.020 7 0 "[ . 1 . 2]" 1
400 1 26 GLU HA 1 56 TRP HB3 . . 5.500 5.163 5.000 5.415 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLU HA 1 56 TRP HD1 . . 5.500 3.617 3.209 4.152 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLU HB2 1 27 LEU H . . 4.210 3.885 3.673 4.061 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLU HB2 1 56 TRP HB2 . . 4.690 4.713 4.643 4.815 0.125 12 0 "[ . 1 . 2]" 1
404 1 26 GLU HB3 1 27 LEU H . . 4.390 2.989 2.283 4.100 . 0 0 "[ . 1 . 2]" 1
405 1 26 GLU QG 1 56 TRP H . . 3.980 2.188 1.845 3.284 . 0 0 "[ . 1 . 2]" 1
406 1 26 GLU QG 1 56 TRP HB3 . . 5.150 3.783 3.258 5.228 0.078 2 0 "[ . 1 . 2]" 1
407 1 27 LEU H 1 27 LEU HB2 . . 3.860 2.266 2.068 2.597 . 0 0 "[ . 1 . 2]" 1
408 1 27 LEU H 1 27 LEU HB3 . . 3.840 2.883 2.780 3.084 . 0 0 "[ . 1 . 2]" 1
409 1 27 LEU H 1 27 LEU QD . . 4.480 3.538 3.086 3.844 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU H 1 27 LEU HG . . 5.050 4.404 4.250 4.574 . 0 0 "[ . 1 . 2]" 1
411 1 27 LEU H 1 28 SER H . . 5.500 4.552 4.476 4.630 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU H 1 55 GLY HA2 . . 5.500 4.266 3.898 4.606 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU H 1 55 GLY HA3 . . 5.500 2.860 2.400 3.200 . 0 0 "[ . 1 . 2]" 1
414 1 27 LEU H 1 56 TRP HB2 . . 5.500 4.131 3.924 4.768 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU HA 1 27 LEU QD . . 3.290 2.482 1.867 2.937 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU HA 1 28 SER H . . 3.480 2.355 2.176 2.553 . 0 0 "[ . 1 . 2]" 1
417 1 27 LEU HA 1 28 SER HB3 . . 5.020 4.619 4.032 5.379 0.359 16 0 "[ . 1 . 2]" 1
418 1 27 LEU HB2 1 28 SER H . . 4.560 4.273 3.990 4.595 0.035 8 0 "[ . 1 . 2]" 1
419 1 27 LEU HB2 1 55 GLY HA3 . . 5.500 2.894 2.519 3.582 . 0 0 "[ . 1 . 2]" 1
420 1 27 LEU HB2 1 57 PHE HB2 . . 5.500 4.687 3.837 5.190 . 0 0 "[ . 1 . 2]" 1
421 1 27 LEU HB2 1 57 PHE HB3 . . 5.500 2.963 2.106 3.450 . 0 0 "[ . 1 . 2]" 1
422 1 27 LEU HB2 1 57 PHE QD . . 4.260 2.701 1.986 3.799 . 0 0 "[ . 1 . 2]" 1
423 1 27 LEU HB3 1 28 SER H . . 4.790 3.513 3.012 4.113 . 0 0 "[ . 1 . 2]" 1
424 1 27 LEU HB3 1 55 GLY HA3 . . 5.370 4.403 4.025 5.031 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU HB3 1 57 PHE HB2 . . 5.030 3.572 3.191 4.030 . 0 0 "[ . 1 . 2]" 1
426 1 27 LEU HB3 1 57 PHE QD . . 5.020 2.881 2.090 3.595 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU QD 1 28 SER H . . 3.960 2.039 1.827 2.495 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU QD 1 28 SER HB3 . . 5.110 4.288 3.979 4.722 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU QD 1 35 ILE MD . . 3.830 3.382 3.133 3.649 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU QD 1 35 ILE HG12 . . 4.140 2.497 1.974 2.827 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU QD 1 35 ILE MG . . 2.920 2.287 2.137 2.528 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU QD 1 50 LEU H . . 3.450 2.541 2.230 2.765 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU QD 1 50 LEU HA . . 5.480 3.718 3.598 3.828 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU QD 1 50 LEU HB2 . . 3.540 1.989 1.839 2.198 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU QD 1 50 LEU HB3 . . 3.390 2.073 1.931 2.318 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU QD 1 53 ARG QB . . 3.330 2.297 1.947 2.885 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU QD 1 53 ARG HD2 . . 4.260 3.129 2.691 3.903 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU QD 1 53 ARG HD3 . . 5.100 3.390 2.534 4.153 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU QD 1 54 THR H . . 4.990 3.024 2.593 3.366 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU QD 1 54 THR HA . . 3.970 1.940 1.849 2.134 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU QD 1 55 GLY H . . 3.710 2.230 1.906 2.402 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU QD 1 55 GLY HA2 . . 3.970 3.610 3.300 3.742 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU QD 1 55 GLY HA3 . . 4.250 2.866 2.174 3.118 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU QD 1 56 TRP H . . 5.500 4.044 3.787 4.451 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU QD 1 57 PHE HB2 . . 4.720 4.269 3.560 4.796 0.076 8 0 "[ . 1 . 2]" 1
446 1 27 LEU QD 1 57 PHE QD . . 3.610 2.866 2.393 3.234 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU HG 1 28 SER H . . 5.090 3.616 2.520 4.992 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU HG 1 50 LEU H . . 4.420 4.280 4.037 4.476 0.056 15 0 "[ . 1 . 2]" 1
449 1 28 SER H 1 28 SER HB2 . . 3.790 3.260 2.345 3.688 . 0 0 "[ . 1 . 2]" 1
450 1 28 SER H 1 28 SER HB3 . . 3.350 2.897 2.299 3.393 0.043 11 0 "[ . 1 . 2]" 1
451 1 28 SER H 1 29 VAL H . . 5.500 4.235 3.890 4.392 . 0 0 "[ . 1 . 2]" 1
452 1 28 SER H 1 53 ARG HD2 . . 5.410 2.781 1.972 4.305 . 0 0 "[ . 1 . 2]" 1
453 1 28 SER HA 1 29 VAL H . . 3.490 2.252 2.218 2.328 . 0 0 "[ . 1 . 2]" 1
454 1 28 SER HB2 1 29 VAL H . . 4.070 4.170 3.733 4.694 0.624 16 3 "[- . * 1 .+ 2]" 1
455 1 28 SER HB3 1 29 VAL H . . 4.950 4.225 3.471 4.706 . 0 0 "[ . 1 . 2]" 1
456 1 29 VAL H 1 29 VAL HB . . 3.930 3.508 2.716 3.792 . 0 0 "[ . 1 . 2]" 1
457 1 29 VAL H 1 29 VAL QG . . 3.370 2.024 1.827 2.479 . 0 0 "[ . 1 . 2]" 1
458 1 29 VAL H 1 30 CYS H . . 4.810 4.446 4.353 4.540 . 0 0 "[ . 1 . 2]" 1
459 1 29 VAL HA 1 30 CYS H . . 3.500 2.364 2.241 2.536 . 0 0 "[ . 1 . 2]" 1
460 1 29 VAL HA 1 30 CYS HB2 . . 5.320 4.311 4.081 5.590 0.270 4 0 "[ . 1 . 2]" 1
461 1 29 VAL HA 1 50 LEU MD2 . . 3.850 2.594 2.403 2.716 . 0 0 "[ . 1 . 2]" 1
462 1 29 VAL HB 1 30 CYS H . . 4.030 3.115 2.415 4.102 0.072 18 0 "[ . 1 . 2]" 1
463 1 29 VAL HB 1 33 ASP HB2 . . 5.500 3.683 2.844 5.408 . 0 0 "[ . 1 . 2]" 1
464 1 29 VAL HB 1 33 ASP HB3 . . 4.940 4.413 3.407 4.951 0.011 14 0 "[ . 1 . 2]" 1
465 1 29 VAL HB 1 35 ILE MD . . 4.100 3.170 2.739 3.494 . 0 0 "[ . 1 . 2]" 1
466 1 29 VAL QG 1 30 CYS H . . 3.900 2.969 1.970 3.501 . 0 0 "[ . 1 . 2]" 1
467 1 29 VAL QG 1 33 ASP H . . 5.500 4.117 3.311 4.785 . 0 0 "[ . 1 . 2]" 1
468 1 29 VAL QG 1 33 ASP HB2 . . 4.080 2.505 1.933 3.497 . 0 0 "[ . 1 . 2]" 1
469 1 29 VAL QG 1 33 ASP HB3 . . 4.810 2.796 2.162 3.789 . 0 0 "[ . 1 . 2]" 1
470 1 29 VAL QG 1 35 ILE MD . . 2.830 1.899 1.737 2.153 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL QG 1 35 ILE HG12 . . 3.610 2.413 1.930 3.295 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL QG 1 35 ILE HG13 . . 4.400 2.918 2.481 3.283 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL QG 1 57 PHE HB2 . . 4.020 3.495 3.230 3.791 . 0 0 "[ . 1 . 2]" 1
474 1 29 VAL QG 1 57 PHE HB3 . . 4.490 3.907 3.636 4.381 . 0 0 "[ . 1 . 2]" 1
475 1 29 VAL QG 1 57 PHE QD . . 4.250 3.864 3.636 4.060 . 0 0 "[ . 1 . 2]" 1
476 1 30 CYS H 1 30 CYS HB2 . . 3.730 2.599 2.330 3.604 . 0 0 "[ . 1 . 2]" 1
477 1 30 CYS H 1 30 CYS HB3 . . 3.830 3.252 2.481 3.658 . 0 0 "[ . 1 . 2]" 1
478 1 30 CYS H 1 31 LYS H . . 5.350 2.640 2.250 2.962 . 0 0 "[ . 1 . 2]" 1
479 1 30 CYS H 1 33 ASP H . . 5.500 5.259 4.653 5.505 0.005 12 0 "[ . 1 . 2]" 1
480 1 30 CYS H 1 33 ASP HB2 . . 5.020 3.478 3.086 4.267 . 0 0 "[ . 1 . 2]" 1
481 1 30 CYS H 1 33 ASP HB3 . . 5.220 4.371 3.851 4.673 . 0 0 "[ . 1 . 2]" 1
482 1 30 CYS H 1 50 LEU MD2 . . 3.940 3.836 3.636 3.985 0.045 12 0 "[ . 1 . 2]" 1
483 1 30 CYS HB2 1 31 LYS H . . 3.780 2.726 2.080 3.601 . 0 0 "[ . 1 . 2]" 1
484 1 30 CYS HB2 1 31 LYS HB2 . . 5.500 4.739 3.236 5.405 . 0 0 "[ . 1 . 2]" 1
485 1 30 CYS HB3 1 31 LYS H . . 3.770 2.340 1.943 3.543 . 0 0 "[ . 1 . 2]" 1
486 1 30 CYS HB3 1 31 LYS HA . . 5.180 4.617 4.375 5.745 0.565 4 1 "[ +. 1 . 2]" 1
487 1 30 CYS HB3 1 31 LYS HB2 . . 5.500 3.595 3.226 4.874 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS H 1 31 LYS HB2 . . 3.570 3.095 2.906 3.368 . 0 0 "[ . 1 . 2]" 1
489 1 31 LYS H 1 31 LYS HB3 . . 3.710 3.325 3.191 3.634 . 0 0 "[ . 1 . 2]" 1
490 1 31 LYS H 1 31 LYS QG . . 4.310 4.188 4.045 4.233 . 0 0 "[ . 1 . 2]" 1
491 1 31 LYS H 1 32 GLY H . . 4.810 4.240 4.039 4.344 . 0 0 "[ . 1 . 2]" 1
492 1 31 LYS HA 1 31 LYS QG . . 3.470 2.011 1.952 2.198 . 0 0 "[ . 1 . 2]" 1
493 1 31 LYS HA 1 32 GLY H . . 3.080 2.277 2.200 2.360 . 0 0 "[ . 1 . 2]" 1
494 1 31 LYS HA 1 32 GLY HA3 . . 4.660 4.513 4.443 4.581 . 0 0 "[ . 1 . 2]" 1
495 1 31 LYS HA 1 33 ASP H . . 5.230 4.129 3.946 4.216 . 0 0 "[ . 1 . 2]" 1
496 1 31 LYS HB2 1 31 LYS QD . . 2.890 2.113 1.974 2.774 . 0 0 "[ . 1 . 2]" 1
497 1 31 LYS HB2 1 32 GLY H . . 4.620 4.356 4.187 4.509 . 0 0 "[ . 1 . 2]" 1
498 1 31 LYS HB3 1 32 GLY H . . 4.250 3.646 3.316 4.028 . 0 0 "[ . 1 . 2]" 1
499 1 31 LYS QD 1 32 GLY H . . 5.260 4.652 4.231 4.968 . 0 0 "[ . 1 . 2]" 1
500 1 31 LYS QG 1 32 GLY H . . 3.850 2.657 2.227 2.976 . 0 0 "[ . 1 . 2]" 1
501 1 31 LYS QG 1 33 ASP H . . 5.500 5.187 4.876 5.465 . 0 0 "[ . 1 . 2]" 1
502 1 32 GLY H 1 33 ASP H . . 4.000 3.042 2.740 3.221 . 0 0 "[ . 1 . 2]" 1
503 1 33 ASP H 1 33 ASP HB2 . . 3.760 2.679 2.296 3.118 . 0 0 "[ . 1 . 2]" 1
504 1 33 ASP H 1 33 ASP HB3 . . 4.050 3.612 3.241 3.890 . 0 0 "[ . 1 . 2]" 1
505 1 33 ASP H 1 34 ILE H . . 3.570 3.402 1.861 3.705 0.135 18 0 "[ . 1 . 2]" 1
506 1 33 ASP H 1 50 LEU MD1 . . 5.500 4.477 4.186 4.664 . 0 0 "[ . 1 . 2]" 1
507 1 33 ASP HA 1 34 ILE H . . 3.150 2.529 2.318 3.592 0.442 14 0 "[ . 1 . 2]" 1
508 1 33 ASP HA 1 34 ILE QG . . 5.500 5.021 4.857 5.410 . 0 0 "[ . 1 . 2]" 1
509 1 33 ASP HA 1 50 LEU MD1 . . 3.760 3.309 3.052 3.774 0.014 11 0 "[ . 1 . 2]" 1
510 1 33 ASP HB2 1 34 ILE H . . 4.650 4.326 2.798 4.725 0.075 18 0 "[ . 1 . 2]" 1
511 1 33 ASP HB2 1 35 ILE MD . . 4.760 3.669 2.999 4.225 . 0 0 "[ . 1 . 2]" 1
512 1 33 ASP HB2 1 35 ILE HG13 . . 5.500 4.091 3.060 4.849 . 0 0 "[ . 1 . 2]" 1
513 1 33 ASP HB2 1 50 LEU MD1 . . 3.820 2.904 1.881 3.402 . 0 0 "[ . 1 . 2]" 1
514 1 33 ASP HB3 1 34 ILE H . . 4.300 4.066 3.529 4.198 . 0 0 "[ . 1 . 2]" 1
515 1 33 ASP HB3 1 35 ILE MD . . 5.500 3.946 3.160 4.924 . 0 0 "[ . 1 . 2]" 1
516 1 33 ASP HB3 1 35 ILE HG13 . . 5.500 3.603 3.127 4.580 . 0 0 "[ . 1 . 2]" 1
517 1 33 ASP HB3 1 50 LEU HB2 . . 5.500 4.733 4.502 5.225 . 0 0 "[ . 1 . 2]" 1
518 1 33 ASP HB3 1 50 LEU MD1 . . 3.560 1.845 1.749 2.096 . 0 0 "[ . 1 . 2]" 1
519 1 33 ASP HB3 1 50 LEU MD2 . . 4.260 2.528 2.061 2.905 . 0 0 "[ . 1 . 2]" 1
520 1 34 ILE H 1 34 ILE HB . . 3.270 2.212 1.992 3.266 . 0 0 "[ . 1 . 2]" 1
521 1 34 ILE H 1 34 ILE MD . . 4.010 3.482 2.616 3.770 . 0 0 "[ . 1 . 2]" 1
522 1 34 ILE H 1 34 ILE QG . . 3.720 3.074 2.831 3.432 . 0 0 "[ . 1 . 2]" 1
523 1 34 ILE H 1 34 ILE MG . . 3.820 3.529 3.342 4.063 0.243 20 0 "[ . 1 . 2]" 1
524 1 34 ILE H 1 35 ILE H . . 4.640 4.473 3.693 4.640 . 0 0 "[ . 1 . 2]" 1
525 1 34 ILE H 1 50 LEU MD1 . . 4.130 3.825 3.604 4.112 . 0 0 "[ . 1 . 2]" 1
526 1 34 ILE HA 1 34 ILE MD . . 3.330 2.149 1.838 3.325 . 0 0 "[ . 1 . 2]" 1
527 1 34 ILE HA 1 34 ILE QG . . 4.000 2.504 1.920 2.672 . 0 0 "[ . 1 . 2]" 1
528 1 34 ILE HA 1 34 ILE MG . . 3.230 2.827 2.757 2.917 . 0 0 "[ . 1 . 2]" 1
529 1 34 ILE HA 1 35 ILE HA . . 4.700 4.370 4.364 4.387 . 0 0 "[ . 1 . 2]" 1
530 1 34 ILE HA 1 35 ILE HB . . 4.870 4.643 4.604 4.708 . 0 0 "[ . 1 . 2]" 1
531 1 34 ILE HA 1 35 ILE MD . . 4.530 3.548 3.094 3.787 . 0 0 "[ . 1 . 2]" 1
532 1 34 ILE HB 1 34 ILE MD . . 3.570 2.959 1.966 3.204 . 0 0 "[ . 1 . 2]" 1
533 1 34 ILE HB 1 35 ILE H . . 5.120 4.498 4.397 4.618 . 0 0 "[ . 1 . 2]" 1
534 1 34 ILE HB 1 36 TYR QE . . 5.500 5.406 5.252 5.605 0.105 11 0 "[ . 1 . 2]" 1
535 1 34 ILE HB 1 50 LEU MD1 . . 5.350 4.627 3.989 4.953 . 0 0 "[ . 1 . 2]" 1
536 1 34 ILE MD 1 35 ILE MD . . 4.820 4.351 3.853 5.720 0.900 10 4 "[ - . * + * . 2]" 1
537 1 34 ILE QG 1 34 ILE MG . . 3.210 2.216 2.138 2.282 . 0 0 "[ . 1 . 2]" 1
538 1 34 ILE QG 1 35 ILE H . . 5.320 4.115 3.312 4.502 . 0 0 "[ . 1 . 2]" 1
539 1 34 ILE MG 1 35 ILE H . . 3.530 2.874 2.659 3.155 . 0 0 "[ . 1 . 2]" 1
540 1 34 ILE MG 1 35 ILE HA . . 5.060 3.436 3.320 3.517 . 0 0 "[ . 1 . 2]" 1
541 1 34 ILE MG 1 35 ILE MD . . 4.820 4.738 4.524 4.892 0.072 14 0 "[ . 1 . 2]" 1
542 1 34 ILE MG 1 36 TYR QD . . 4.460 3.612 3.500 3.783 . 0 0 "[ . 1 . 2]" 1
543 1 34 ILE MG 1 36 TYR QE . . 4.000 2.955 2.822 3.070 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE H 1 35 ILE HB . . 3.640 2.648 2.586 2.720 . 0 0 "[ . 1 . 2]" 1
545 1 35 ILE H 1 35 ILE MD . . 4.000 2.735 2.446 3.103 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE H 1 35 ILE HG12 . . 4.090 4.194 4.152 4.240 0.150 12 0 "[ . 1 . 2]" 1
547 1 35 ILE H 1 35 ILE HG13 . . 4.150 2.900 2.803 2.982 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE H 1 35 ILE MG . . 4.100 3.849 3.822 3.879 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE H 1 50 LEU MD1 . . 5.280 4.200 4.063 4.322 . 0 0 "[ . 1 . 2]" 1
550 1 35 ILE HA 1 35 ILE MD . . 4.200 3.780 3.701 3.861 . 0 0 "[ . 1 . 2]" 1
551 1 35 ILE HA 1 35 ILE HG12 . . 3.960 3.246 3.126 3.362 . 0 0 "[ . 1 . 2]" 1
552 1 35 ILE HA 1 35 ILE HG13 . . 3.700 2.548 2.477 2.631 . 0 0 "[ . 1 . 2]" 1
553 1 35 ILE HA 1 35 ILE MG . . 3.200 2.373 2.314 2.410 . 0 0 "[ . 1 . 2]" 1
554 1 35 ILE HA 1 36 TYR H . . 3.180 2.279 2.225 2.332 . 0 0 "[ . 1 . 2]" 1
555 1 35 ILE HA 1 36 TYR HB2 . . 5.030 4.442 4.405 4.511 . 0 0 "[ . 1 . 2]" 1
556 1 35 ILE HA 1 36 TYR HB3 . . 5.500 5.573 5.565 5.582 0.082 13 0 "[ . 1 . 2]" 1
557 1 35 ILE HA 1 36 TYR QD . . 4.170 4.308 4.232 4.389 0.219 13 0 "[ . 1 . 2]" 1
558 1 35 ILE HA 1 49 THR H . . 4.630 4.103 3.846 4.316 . 0 0 "[ . 1 . 2]" 1
559 1 35 ILE HA 1 50 LEU H . . 5.500 4.925 4.800 5.065 . 0 0 "[ . 1 . 2]" 1
560 1 35 ILE HA 1 50 LEU MD1 . . 4.050 2.819 2.560 2.923 . 0 0 "[ . 1 . 2]" 1
561 1 35 ILE HB 1 35 ILE MD . . 3.530 2.022 1.903 2.129 . 0 0 "[ . 1 . 2]" 1
562 1 35 ILE HB 1 36 TYR H . . 5.500 3.958 3.832 4.089 . 0 0 "[ . 1 . 2]" 1
563 1 35 ILE HB 1 50 LEU HB2 . . 4.830 4.782 4.648 4.855 0.025 18 0 "[ . 1 . 2]" 1
564 1 35 ILE MD 1 35 ILE MG . . 3.090 2.821 2.691 2.925 . 0 0 "[ . 1 . 2]" 1
565 1 35 ILE MD 1 37 VAL MG2 . . 5.100 4.538 4.422 4.647 . 0 0 "[ . 1 . 2]" 1
566 1 35 ILE MD 1 50 LEU HB2 . . 5.500 4.150 4.009 4.370 . 0 0 "[ . 1 . 2]" 1
567 1 35 ILE MD 1 50 LEU MD1 . . 4.090 3.251 3.074 3.534 . 0 0 "[ . 1 . 2]" 1
568 1 35 ILE MD 1 50 LEU MD2 . . 3.810 3.806 3.727 3.880 0.070 14 0 "[ . 1 . 2]" 1
569 1 35 ILE MD 1 57 PHE QD . . 3.860 3.726 2.802 3.904 0.044 14 0 "[ . 1 . 2]" 1
570 1 35 ILE MD 1 57 PHE QE . . 5.220 3.417 2.572 3.741 . 0 0 "[ . 1 . 2]" 1
571 1 35 ILE MD 1 57 PHE HZ . . 4.800 4.047 3.773 4.317 . 0 0 "[ . 1 . 2]" 1
572 1 35 ILE MD 1 62 VAL HA . . 5.380 4.936 4.448 5.355 . 0 0 "[ . 1 . 2]" 1
573 1 35 ILE MD 1 62 VAL QG . . 3.300 2.406 1.963 2.717 . 0 0 "[ . 1 . 2]" 1
574 1 35 ILE HG12 1 36 TYR H . . 5.500 4.833 4.684 5.019 . 0 0 "[ . 1 . 2]" 1
575 1 35 ILE HG12 1 50 LEU HB2 . . 4.450 2.489 2.329 2.780 . 0 0 "[ . 1 . 2]" 1
576 1 35 ILE HG12 1 50 LEU MD1 . . 3.480 2.641 2.414 3.049 . 0 0 "[ . 1 . 2]" 1
577 1 35 ILE HG13 1 36 TYR H . . 4.880 4.673 4.579 4.741 . 0 0 "[ . 1 . 2]" 1
578 1 35 ILE HG13 1 50 LEU HB2 . . 5.280 3.356 3.090 3.573 . 0 0 "[ . 1 . 2]" 1
579 1 35 ILE HG13 1 50 LEU HB3 . . 4.960 4.994 4.733 5.216 0.256 12 0 "[ . 1 . 2]" 1
580 1 35 ILE HG13 1 50 LEU MD1 . . 4.120 2.099 1.949 2.293 . 0 0 "[ . 1 . 2]" 1
581 1 35 ILE MG 1 36 TYR H . . 3.540 2.259 2.042 2.522 . 0 0 "[ . 1 . 2]" 1
582 1 35 ILE MG 1 36 TYR HB2 . . 5.340 3.925 3.839 4.122 . 0 0 "[ . 1 . 2]" 1
583 1 35 ILE MG 1 37 VAL H . . 5.140 4.266 4.127 4.412 . 0 0 "[ . 1 . 2]" 1
584 1 35 ILE MG 1 37 VAL HA . . 4.530 3.954 3.871 4.051 . 0 0 "[ . 1 . 2]" 1
585 1 35 ILE MG 1 37 VAL MG2 . . 3.360 3.284 3.134 3.386 0.026 16 0 "[ . 1 . 2]" 1
586 1 35 ILE MG 1 38 THR H . . 5.500 5.376 5.315 5.440 . 0 0 "[ . 1 . 2]" 1
587 1 35 ILE MG 1 48 GLY HA2 . . 4.010 3.937 3.812 4.041 0.031 11 0 "[ . 1 . 2]" 1
588 1 35 ILE MG 1 48 GLY HA3 . . 3.540 2.575 2.402 2.677 . 0 0 "[ . 1 . 2]" 1
589 1 35 ILE MG 1 49 THR H . . 3.970 2.294 2.070 2.569 . 0 0 "[ . 1 . 2]" 1
590 1 35 ILE MG 1 49 THR HA . . 5.500 3.512 3.320 3.656 . 0 0 "[ . 1 . 2]" 1
591 1 35 ILE MG 1 49 THR MG . . 4.370 4.274 4.151 4.388 0.018 11 0 "[ . 1 . 2]" 1
592 1 35 ILE MG 1 50 LEU H . . 5.500 3.487 3.283 3.723 . 0 0 "[ . 1 . 2]" 1
593 1 35 ILE MG 1 50 LEU HB2 . . 5.010 2.375 2.193 2.561 . 0 0 "[ . 1 . 2]" 1
594 1 35 ILE MG 1 50 LEU HB3 . . 3.870 3.722 3.548 3.861 . 0 0 "[ . 1 . 2]" 1
595 1 35 ILE MG 1 50 LEU MD1 . . 3.830 3.356 3.084 3.540 . 0 0 "[ . 1 . 2]" 1
596 1 35 ILE MG 1 57 PHE QD . . 4.060 3.303 2.946 3.579 . 0 0 "[ . 1 . 2]" 1
597 1 35 ILE MG 1 57 PHE QE . . 3.370 2.407 1.967 2.961 . 0 0 "[ . 1 . 2]" 1
598 1 35 ILE MG 1 57 PHE HZ . . 4.120 2.944 2.597 3.281 . 0 0 "[ . 1 . 2]" 1
599 1 36 TYR H 1 36 TYR HB2 . . 3.810 2.291 2.253 2.336 . 0 0 "[ . 1 . 2]" 1
600 1 36 TYR H 1 36 TYR QD . . 3.670 3.164 3.010 3.368 . 0 0 "[ . 1 . 2]" 1
601 1 36 TYR H 1 36 TYR QE . . 5.500 4.816 4.631 4.990 . 0 0 "[ . 1 . 2]" 1
602 1 36 TYR H 1 37 VAL H . . 5.300 4.330 4.274 4.382 . 0 0 "[ . 1 . 2]" 1
603 1 36 TYR H 1 48 GLY HA2 . . 5.500 4.890 4.707 5.113 . 0 0 "[ . 1 . 2]" 1
604 1 36 TYR H 1 49 THR H . . 4.560 2.255 2.135 2.452 . 0 0 "[ . 1 . 2]" 1
605 1 36 TYR H 1 49 THR HB . . 4.590 3.743 3.648 3.923 . 0 0 "[ . 1 . 2]" 1
606 1 36 TYR H 1 49 THR MG . . 4.640 3.813 3.646 4.025 . 0 0 "[ . 1 . 2]" 1
607 1 36 TYR HA 1 36 TYR QD . . 3.710 2.289 2.166 2.380 . 0 0 "[ . 1 . 2]" 1
608 1 36 TYR HA 1 36 TYR QE . . 4.480 4.525 4.469 4.585 0.105 16 0 "[ . 1 . 2]" 1
609 1 36 TYR HA 1 37 VAL H . . 3.560 2.196 2.194 2.198 . 0 0 "[ . 1 . 2]" 1
610 1 36 TYR HA 1 37 VAL HB . . 5.110 4.735 4.706 4.778 . 0 0 "[ . 1 . 2]" 1
611 1 36 TYR HA 1 37 VAL MG2 . . 3.800 3.499 3.455 3.561 . 0 0 "[ . 1 . 2]" 1
612 1 36 TYR HA 1 49 THR H . . 5.500 4.040 3.998 4.122 . 0 0 "[ . 1 . 2]" 1
613 1 36 TYR HB2 1 37 VAL H . . 5.500 4.458 4.429 4.473 . 0 0 "[ . 1 . 2]" 1
614 1 36 TYR HB2 1 49 THR H . . 5.280 2.612 2.509 2.758 . 0 0 "[ . 1 . 2]" 1
615 1 36 TYR HB2 1 49 THR HB . . 3.630 2.326 2.201 2.484 . 0 0 "[ . 1 . 2]" 1
616 1 36 TYR HB2 1 49 THR MG . . 4.300 2.975 2.922 3.047 . 0 0 "[ . 1 . 2]" 1
617 1 36 TYR HB3 1 37 VAL H . . 4.300 3.800 3.790 3.814 . 0 0 "[ . 1 . 2]" 1
618 1 36 TYR HB3 1 49 THR H . . 5.100 3.899 3.778 4.024 . 0 0 "[ . 1 . 2]" 1
619 1 36 TYR HB3 1 49 THR HB . . 4.730 3.607 3.548 3.660 . 0 0 "[ . 1 . 2]" 1
620 1 36 TYR HB3 1 49 THR MG . . 4.260 4.241 4.197 4.258 . 0 0 "[ . 1 . 2]" 1
621 1 36 TYR QD 1 37 VAL H . . 4.910 4.136 4.056 4.251 . 0 0 "[ . 1 . 2]" 1
622 1 36 TYR QD 1 49 THR HB . . 5.260 3.345 3.136 3.595 . 0 0 "[ . 1 . 2]" 1
623 1 36 TYR QD 1 49 THR MG . . 4.110 2.122 1.980 2.353 . 0 0 "[ . 1 . 2]" 1
624 1 36 TYR QE 1 49 THR MG . . 4.150 3.860 3.666 4.109 . 0 0 "[ . 1 . 2]" 1
625 1 36 TYR QE 1 51 ASN H . . 5.500 5.377 5.097 5.529 0.029 15 0 "[ . 1 . 2]" 1
626 1 36 TYR QE 1 51 ASN HA . . 4.550 4.558 4.537 4.583 0.033 16 0 "[ . 1 . 2]" 1
627 1 37 VAL H 1 37 VAL HB . . 3.510 2.549 2.524 2.589 . 0 0 "[ . 1 . 2]" 1
628 1 37 VAL H 1 37 VAL MG1 . . 4.030 3.738 3.726 3.745 . 0 0 "[ . 1 . 2]" 1
629 1 37 VAL H 1 37 VAL MG2 . . 3.230 2.112 2.025 2.171 . 0 0 "[ . 1 . 2]" 1
630 1 37 VAL H 1 38 THR H . . 5.500 4.490 4.452 4.530 . 0 0 "[ . 1 . 2]" 1
631 1 37 VAL HA 1 37 VAL MG1 . . 3.500 2.348 2.303 2.380 . 0 0 "[ . 1 . 2]" 1
632 1 37 VAL HA 1 37 VAL MG2 . . 3.530 2.496 2.452 2.517 . 0 0 "[ . 1 . 2]" 1
633 1 37 VAL HA 1 38 THR H . . 3.410 2.184 2.181 2.192 . 0 0 "[ . 1 . 2]" 1
634 1 37 VAL HA 1 38 THR MG . . 3.470 3.430 3.210 3.505 0.035 9 0 "[ . 1 . 2]" 1
635 1 37 VAL HA 1 39 ARG H . . 4.090 3.923 3.876 4.066 . 0 0 "[ . 1 . 2]" 1
636 1 37 VAL HA 1 40 VAL QG . . 5.500 3.875 3.785 3.927 . 0 0 "[ . 1 . 2]" 1
637 1 37 VAL HA 1 48 GLY H . . 4.880 4.159 4.042 4.321 . 0 0 "[ . 1 . 2]" 1
638 1 37 VAL HA 1 48 GLY HA2 . . 3.740 2.124 1.981 2.211 . 0 0 "[ . 1 . 2]" 1
639 1 37 VAL HA 1 48 GLY HA3 . . 3.590 2.210 2.140 2.337 . 0 0 "[ . 1 . 2]" 1
640 1 37 VAL HA 1 49 THR H . . 4.290 3.751 3.694 3.798 . 0 0 "[ . 1 . 2]" 1
641 1 37 VAL HA 1 57 PHE QE . . 5.500 3.611 3.201 4.120 . 0 0 "[ . 1 . 2]" 1
642 1 37 VAL HB 1 38 THR H . . 5.500 4.251 4.193 4.290 . 0 0 "[ . 1 . 2]" 1
643 1 37 VAL HB 1 39 ARG H . . 5.500 5.464 5.395 5.528 0.028 7 0 "[ . 1 . 2]" 1
644 1 37 VAL HB 1 40 VAL QG . . 5.200 2.637 2.503 2.754 . 0 0 "[ . 1 . 2]" 1
645 1 37 VAL MG1 1 38 THR H . . 3.780 2.794 2.655 2.924 . 0 0 "[ . 1 . 2]" 1
646 1 37 VAL MG1 1 38 THR HA . . 4.300 4.077 4.019 4.147 . 0 0 "[ . 1 . 2]" 1
647 1 37 VAL MG1 1 39 ARG H . . 3.640 3.146 3.034 3.297 . 0 0 "[ . 1 . 2]" 1
648 1 37 VAL MG1 1 40 VAL H . . 5.500 2.483 2.418 2.563 . 0 0 "[ . 1 . 2]" 1
649 1 37 VAL MG1 1 40 VAL HA . . 5.170 2.463 2.312 2.721 . 0 0 "[ . 1 . 2]" 1
650 1 37 VAL MG1 1 40 VAL HB . . 5.500 3.836 3.749 3.874 . 0 0 "[ . 1 . 2]" 1
651 1 37 VAL MG1 1 40 VAL QG . . 3.030 1.671 1.636 1.696 . 0 0 "[ . 1 . 2]" 1
652 1 37 VAL MG1 1 46 TRP HB2 . . 4.570 4.061 3.896 4.262 . 0 0 "[ . 1 . 2]" 1
653 1 37 VAL MG1 1 46 TRP HB3 . . 3.960 2.651 2.531 2.894 . 0 0 "[ . 1 . 2]" 1
654 1 37 VAL MG1 1 46 TRP HE3 . . 3.420 2.657 2.405 2.926 . 0 0 "[ . 1 . 2]" 1
655 1 37 VAL MG1 1 46 TRP HZ3 . . 3.980 3.361 3.203 3.547 . 0 0 "[ . 1 . 2]" 1
656 1 37 VAL MG1 1 47 GLU H . . 5.470 3.409 3.216 3.515 . 0 0 "[ . 1 . 2]" 1
657 1 37 VAL MG1 1 48 GLY HA2 . . 5.340 3.669 3.556 3.753 . 0 0 "[ . 1 . 2]" 1
658 1 37 VAL MG1 1 48 GLY HA3 . . 4.800 3.703 3.628 3.803 . 0 0 "[ . 1 . 2]" 1
659 1 37 VAL MG1 1 49 THR H . . 5.500 5.413 5.357 5.459 . 0 0 "[ . 1 . 2]" 1
660 1 37 VAL MG1 1 57 PHE QE . . 4.220 3.640 3.030 4.057 . 0 0 "[ . 1 . 2]" 1
661 1 37 VAL MG1 1 57 PHE HZ . . 3.750 3.354 3.129 3.579 . 0 0 "[ . 1 . 2]" 1
662 1 37 VAL MG2 1 38 THR H . . 4.490 4.283 4.255 4.304 . 0 0 "[ . 1 . 2]" 1
663 1 37 VAL MG2 1 40 VAL QG . . 4.620 3.501 3.396 3.569 . 0 0 "[ . 1 . 2]" 1
664 1 37 VAL MG2 1 46 TRP HB3 . . 5.500 3.230 3.052 3.603 . 0 0 "[ . 1 . 2]" 1
665 1 37 VAL MG2 1 46 TRP HE3 . . 3.550 1.972 1.933 2.279 . 0 0 "[ . 1 . 2]" 1
666 1 37 VAL MG2 1 46 TRP HZ3 . . 3.420 2.422 2.243 2.594 . 0 0 "[ . 1 . 2]" 1
667 1 37 VAL MG2 1 48 GLY HA2 . . 4.810 4.076 3.957 4.174 . 0 0 "[ . 1 . 2]" 1
668 1 37 VAL MG2 1 48 GLY HA3 . . 4.840 3.229 3.147 3.297 . 0 0 "[ . 1 . 2]" 1
669 1 37 VAL MG2 1 49 THR H . . 4.790 4.362 4.328 4.413 . 0 0 "[ . 1 . 2]" 1
670 1 37 VAL MG2 1 57 PHE QE . . 4.190 2.976 2.714 3.138 . 0 0 "[ . 1 . 2]" 1
671 1 37 VAL MG2 1 57 PHE HZ . . 3.430 1.947 1.854 2.178 . 0 0 "[ . 1 . 2]" 1
672 1 38 THR H 1 38 THR MG . . 3.830 1.869 1.821 1.886 . 0 0 "[ . 1 . 2]" 1
673 1 38 THR H 1 39 ARG H . . 3.530 2.105 2.095 2.154 . 0 0 "[ . 1 . 2]" 1
674 1 38 THR H 1 39 ARG HB2 . . 5.500 4.443 4.265 4.569 . 0 0 "[ . 1 . 2]" 1
675 1 38 THR H 1 47 GLU H . . 5.500 4.866 4.679 5.089 . 0 0 "[ . 1 . 2]" 1
676 1 38 THR H 1 48 GLY H . . 5.160 4.475 4.407 4.531 . 0 0 "[ . 1 . 2]" 1
677 1 38 THR H 1 48 GLY HA2 . . 4.090 2.016 1.933 2.184 . 0 0 "[ . 1 . 2]" 1
678 1 38 THR H 1 48 GLY HA3 . . 4.100 3.432 3.323 3.585 . 0 0 "[ . 1 . 2]" 1
679 1 38 THR H 1 49 THR H . . 5.070 4.603 4.513 4.807 . 0 0 "[ . 1 . 2]" 1
680 1 38 THR HA 1 38 THR MG . . 3.240 3.235 3.196 3.242 0.002 11 0 "[ . 1 . 2]" 1
681 1 38 THR HB 1 39 ARG H . . 4.230 4.066 4.020 4.106 . 0 0 "[ . 1 . 2]" 1
682 1 38 THR MG 1 39 ARG H . . 4.570 1.891 1.867 1.907 . 0 0 "[ . 1 . 2]" 1
683 1 38 THR MG 1 39 ARG HD2 . . 5.350 4.697 3.849 5.304 . 0 0 "[ . 1 . 2]" 1
684 1 38 THR MG 1 47 GLU QG . . 4.150 2.044 1.940 2.118 . 0 0 "[ . 1 . 2]" 1
685 1 38 THR MG 1 48 GLY HA2 . . 3.690 2.029 1.969 2.153 . 0 0 "[ . 1 . 2]" 1
686 1 38 THR MG 1 48 GLY HA3 . . 4.850 3.644 3.574 3.769 . 0 0 "[ . 1 . 2]" 1
687 1 38 THR MG 1 49 THR H . . 4.080 4.091 3.992 4.124 0.044 20 0 "[ . 1 . 2]" 1
688 1 38 THR MG 1 49 THR HB . . 4.490 3.966 3.845 4.088 . 0 0 "[ . 1 . 2]" 1
689 1 39 ARG H 1 39 ARG HB2 . . 3.850 2.457 2.292 2.569 . 0 0 "[ . 1 . 2]" 1
690 1 39 ARG H 1 39 ARG HB3 . . 3.830 2.522 2.412 2.699 . 0 0 "[ . 1 . 2]" 1
691 1 39 ARG H 1 40 VAL H . . 5.210 2.939 2.854 3.082 . 0 0 "[ . 1 . 2]" 1
692 1 39 ARG H 1 46 TRP HA . . 5.500 5.829 5.751 5.969 0.469 2 0 "[ . 1 . 2]" 1
693 1 39 ARG H 1 47 GLU H . . 4.510 3.889 3.807 4.072 . 0 0 "[ . 1 . 2]" 1
694 1 39 ARG H 1 47 GLU QB . . 3.950 3.409 3.227 3.518 . 0 0 "[ . 1 . 2]" 1
695 1 39 ARG H 1 47 GLU QG . . 5.500 2.539 2.207 2.802 . 0 0 "[ . 1 . 2]" 1
696 1 39 ARG H 1 48 GLY HA2 . . 4.660 3.596 3.488 3.886 . 0 0 "[ . 1 . 2]" 1
697 1 39 ARG HA 1 39 ARG HD2 . . 4.710 3.732 2.547 4.563 . 0 0 "[ . 1 . 2]" 1
698 1 39 ARG HA 1 39 ARG HD3 . . 5.210 4.375 3.842 4.833 . 0 0 "[ . 1 . 2]" 1
699 1 39 ARG HA 1 39 ARG QG . . 3.700 2.472 2.289 2.694 . 0 0 "[ . 1 . 2]" 1
700 1 39 ARG HA 1 40 VAL HA . . 5.500 5.377 5.371 5.383 . 0 0 "[ . 1 . 2]" 1
701 1 39 ARG HA 1 40 VAL QG . . 4.070 3.831 3.680 3.997 . 0 0 "[ . 1 . 2]" 1
702 1 39 ARG HB2 1 39 ARG HD2 . . 4.230 2.315 2.125 2.865 . 0 0 "[ . 1 . 2]" 1
703 1 39 ARG HB2 1 40 VAL H . . 5.130 3.479 3.365 3.542 . 0 0 "[ . 1 . 2]" 1
704 1 39 ARG HB2 1 47 GLU H . . 4.360 3.626 3.389 3.888 . 0 0 "[ . 1 . 2]" 1
705 1 39 ARG HB2 1 47 GLU QB . . 4.050 2.094 1.956 2.243 . 0 0 "[ . 1 . 2]" 1
706 1 39 ARG HB2 1 56 TRP HH2 . . 5.140 4.585 4.345 5.002 . 0 0 "[ . 1 . 2]" 1
707 1 39 ARG HB3 1 39 ARG HD2 . . 4.100 3.202 2.375 3.832 . 0 0 "[ . 1 . 2]" 1
708 1 39 ARG HB3 1 39 ARG HD3 . . 4.120 3.877 3.157 4.106 . 0 0 "[ . 1 . 2]" 1
709 1 39 ARG HB3 1 39 ARG HE . . 4.210 4.106 3.642 4.381 0.171 8 0 "[ . 1 . 2]" 1
710 1 39 ARG HB3 1 39 ARG QG . . 2.570 2.210 2.182 2.408 . 0 0 "[ . 1 . 2]" 1
711 1 39 ARG HB3 1 40 VAL H . . 4.890 1.939 1.908 1.977 . 0 0 "[ . 1 . 2]" 1
712 1 39 ARG HB3 1 41 GLU HG2 . . 5.350 3.964 2.906 4.171 . 0 0 "[ . 1 . 2]" 1
713 1 39 ARG HB3 1 41 GLU HG3 . . 3.940 3.847 2.999 4.672 0.732 20 2 "[ . 1- . +]" 1
714 1 39 ARG HB3 1 47 GLU H . . 3.950 2.224 2.098 2.558 . 0 0 "[ . 1 . 2]" 1
715 1 39 ARG HB3 1 47 GLU QB . . 4.650 1.958 1.914 2.052 . 0 0 "[ . 1 . 2]" 1
716 1 39 ARG HB3 1 56 TRP HH2 . . 4.970 4.471 4.194 4.710 . 0 0 "[ . 1 . 2]" 1
717 1 39 ARG HD2 1 41 GLU HG2 . . 5.390 4.322 2.162 5.137 . 0 0 "[ . 1 . 2]" 1
718 1 39 ARG HD2 1 41 GLU HG3 . . 5.120 3.801 2.624 4.659 . 0 0 "[ . 1 . 2]" 1
719 1 39 ARG HD2 1 47 GLU QB . . 4.030 2.887 2.247 3.950 . 0 0 "[ . 1 . 2]" 1
720 1 39 ARG HD2 1 56 TRP HH2 . . 4.090 3.101 2.344 4.152 0.062 9 0 "[ . 1 . 2]" 1
721 1 39 ARG HD2 1 56 TRP HZ2 . . 4.530 2.926 2.217 4.031 . 0 0 "[ . 1 . 2]" 1
722 1 39 ARG HD3 1 41 GLU HG3 . . 5.500 2.904 1.984 4.005 . 0 0 "[ . 1 . 2]" 1
723 1 39 ARG HD3 1 47 GLU QB . . 5.050 3.735 2.596 3.991 . 0 0 "[ . 1 . 2]" 1
724 1 39 ARG HD3 1 56 TRP HH2 . . 3.810 2.263 1.982 2.987 . 0 0 "[ . 1 . 2]" 1
725 1 39 ARG HD3 1 56 TRP HZ2 . . 4.150 2.955 2.491 3.443 . 0 0 "[ . 1 . 2]" 1
726 1 39 ARG HE 1 39 ARG QG . . 3.920 2.308 2.065 3.145 . 0 0 "[ . 1 . 2]" 1
727 1 39 ARG HE 1 41 GLU HG2 . . 5.110 4.244 2.539 5.201 0.091 10 0 "[ . 1 . 2]" 1
728 1 39 ARG HE 1 41 GLU HG3 . . 4.960 4.487 1.998 5.023 0.063 6 0 "[ . 1 . 2]" 1
729 1 39 ARG HE 1 56 TRP HH2 . . 5.140 4.429 1.937 4.880 . 0 0 "[ . 1 . 2]" 1
730 1 39 ARG QG 1 40 VAL H . . 3.500 3.084 2.807 3.485 . 0 0 "[ . 1 . 2]" 1
731 1 39 ARG QG 1 41 GLU HG3 . . 4.280 2.003 1.847 2.970 . 0 0 "[ . 1 . 2]" 1
732 1 39 ARG QG 1 47 GLU H . . 4.560 3.503 3.244 4.325 . 0 0 "[ . 1 . 2]" 1
733 1 39 ARG QG 1 47 GLU QB . . 3.800 2.974 2.527 3.581 . 0 0 "[ . 1 . 2]" 1
734 1 39 ARG QG 1 56 TRP HH2 . . 4.570 2.785 1.990 3.854 . 0 0 "[ . 1 . 2]" 1
735 1 39 ARG QG 1 56 TRP HZ2 . . 4.840 4.058 3.266 4.535 . 0 0 "[ . 1 . 2]" 1
736 1 40 VAL H 1 40 VAL HB . . 3.450 3.681 3.616 3.715 0.265 14 0 "[ . 1 . 2]" 1
737 1 40 VAL H 1 40 VAL QG . . 3.600 2.553 2.468 2.629 . 0 0 "[ . 1 . 2]" 1
738 1 40 VAL H 1 41 GLU H . . 5.080 2.952 2.882 3.117 . 0 0 "[ . 1 . 2]" 1
739 1 40 VAL H 1 47 GLU H . . 4.180 2.606 2.470 2.770 . 0 0 "[ . 1 . 2]" 1
740 1 40 VAL HA 1 41 GLU H . . 3.210 2.393 2.339 2.426 . 0 0 "[ . 1 . 2]" 1
741 1 40 VAL HA 1 41 GLU HA . . 5.500 4.395 4.332 4.414 . 0 0 "[ . 1 . 2]" 1
742 1 40 VAL HA 1 41 GLU HB2 . . 4.840 4.788 4.734 4.894 0.054 10 0 "[ . 1 . 2]" 1
743 1 40 VAL HA 1 46 TRP HA . . 4.930 3.749 3.545 3.849 . 0 0 "[ . 1 . 2]" 1
744 1 40 VAL HA 1 46 TRP HD1 . . 3.890 3.309 3.041 3.391 . 0 0 "[ . 1 . 2]" 1
745 1 40 VAL HA 1 46 TRP HE1 . . 4.730 2.942 2.498 3.100 . 0 0 "[ . 1 . 2]" 1
746 1 40 VAL HB 1 41 GLU H . . 4.880 4.528 4.514 4.548 . 0 0 "[ . 1 . 2]" 1
747 1 40 VAL QG 1 41 GLU H . . 3.600 3.488 3.427 3.537 . 0 0 "[ . 1 . 2]" 1
748 1 40 VAL QG 1 41 GLU HA . . 5.500 4.077 3.885 4.142 . 0 0 "[ . 1 . 2]" 1
749 1 40 VAL QG 1 41 GLU HB2 . . 5.500 5.217 5.171 5.299 . 0 0 "[ . 1 . 2]" 1
750 1 40 VAL QG 1 46 TRP HB3 . . 5.500 4.695 4.564 4.842 . 0 0 "[ . 1 . 2]" 1
751 1 40 VAL QG 1 46 TRP HD1 . . 5.060 4.063 3.950 4.111 . 0 0 "[ . 1 . 2]" 1
752 1 40 VAL QG 1 46 TRP HE1 . . 3.560 2.359 2.174 2.469 . 0 0 "[ . 1 . 2]" 1
753 1 40 VAL QG 1 46 TRP HH2 . . 4.640 3.192 3.019 3.438 . 0 0 "[ . 1 . 2]" 1
754 1 40 VAL QG 1 46 TRP HZ2 . . 3.620 2.128 1.988 2.285 . 0 0 "[ . 1 . 2]" 1
755 1 41 GLU H 1 41 GLU HB3 . . 3.950 3.617 3.573 3.755 . 0 0 "[ . 1 . 2]" 1
756 1 41 GLU H 1 41 GLU HG2 . . 4.950 3.197 2.949 3.376 . 0 0 "[ . 1 . 2]" 1
757 1 41 GLU H 1 41 GLU HG3 . . 4.370 3.550 2.970 4.245 . 0 0 "[ . 1 . 2]" 1
758 1 41 GLU H 1 42 GLU H . . 5.420 4.524 4.372 4.575 . 0 0 "[ . 1 . 2]" 1
759 1 41 GLU H 1 46 TRP HA . . 4.440 2.631 2.423 3.220 . 0 0 "[ . 1 . 2]" 1
760 1 41 GLU H 1 46 TRP HD1 . . 3.240 1.935 1.916 2.018 . 0 0 "[ . 1 . 2]" 1
761 1 41 GLU H 1 46 TRP HE1 . . 3.900 2.910 2.552 3.139 . 0 0 "[ . 1 . 2]" 1
762 1 41 GLU HA 1 42 GLU H . . 3.510 2.355 2.202 2.653 . 0 0 "[ . 1 . 2]" 1
763 1 41 GLU HB2 1 42 GLU H . . 5.050 4.055 3.410 4.400 . 0 0 "[ . 1 . 2]" 1
764 1 41 GLU HB2 1 56 TRP HZ3 . . 5.010 2.325 1.995 2.942 . 0 0 "[ . 1 . 2]" 1
765 1 41 GLU HB3 1 42 GLU H . . 3.670 2.894 2.143 3.558 . 0 0 "[ . 1 . 2]" 1
766 1 41 GLU HG2 1 42 GLU H . . 5.300 4.413 4.286 5.033 . 0 0 "[ . 1 . 2]" 1
767 1 41 GLU HG2 1 56 TRP HH2 . . 3.500 3.549 3.278 4.067 0.567 20 1 "[ . 1 . +]" 1
768 1 41 GLU HG2 1 56 TRP HZ3 . . 5.170 3.834 3.403 4.759 . 0 0 "[ . 1 . 2]" 1
769 1 41 GLU HG3 1 56 TRP HH2 . . 4.060 2.159 1.963 2.859 . 0 0 "[ . 1 . 2]" 1
770 1 42 GLU H 1 42 GLU HB2 . . 3.580 3.291 2.387 3.684 0.104 11 0 "[ . 1 . 2]" 1
771 1 42 GLU H 1 42 GLU HB3 . . 3.830 3.028 2.598 3.639 . 0 0 "[ . 1 . 2]" 1
772 1 42 GLU H 1 42 GLU QG . . 3.390 2.224 1.942 2.790 . 0 0 "[ . 1 . 2]" 1
773 1 42 GLU H 1 44 GLY H . . 5.500 4.673 4.361 5.030 . 0 0 "[ . 1 . 2]" 1
774 1 42 GLU HA 1 42 GLU QG . . 3.600 3.085 2.279 3.367 . 0 0 "[ . 1 . 2]" 1
775 1 42 GLU HA 1 43 GLY H . . 3.360 3.332 3.287 3.447 0.087 11 0 "[ . 1 . 2]" 1
776 1 42 GLU HA 1 44 GLY H . . 4.010 3.984 3.313 4.036 0.026 9 0 "[ . 1 . 2]" 1
777 1 42 GLU HB2 1 43 GLY H . . 4.500 4.184 3.576 4.476 . 0 0 "[ . 1 . 2]" 1
778 1 42 GLU HB3 1 43 GLY H . . 4.760 4.363 4.237 4.446 . 0 0 "[ . 1 . 2]" 1
779 1 42 GLU QG 1 43 GLY H . . 5.320 3.336 2.677 4.389 . 0 0 "[ . 1 . 2]" 1
780 1 43 GLY H 1 44 GLY H . . 3.830 2.814 2.711 3.138 . 0 0 "[ . 1 . 2]" 1
781 1 43 GLY H 1 44 GLY HA2 . . 5.500 5.098 5.023 5.293 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLY H 1 45 TRP H . . 4.670 4.360 4.226 4.734 0.064 11 0 "[ . 1 . 2]" 1
783 1 43 GLY HA3 1 45 TRP H . . 5.500 3.814 3.631 4.088 . 0 0 "[ . 1 . 2]" 1
784 1 44 GLY H 1 45 TRP H . . 3.630 2.057 1.965 2.527 . 0 0 "[ . 1 . 2]" 1
785 1 44 GLY H 1 45 TRP HD1 . . 5.500 4.240 4.004 4.661 . 0 0 "[ . 1 . 2]" 1
786 1 44 GLY HA2 1 45 TRP HD1 . . 4.930 4.764 4.549 4.944 0.014 17 0 "[ . 1 . 2]" 1
787 1 44 GLY HA3 1 45 TRP H . . 3.630 2.987 2.847 3.020 . 0 0 "[ . 1 . 2]" 1
788 1 44 GLY HA3 1 45 TRP HD1 . . 4.260 3.298 3.071 3.482 . 0 0 "[ . 1 . 2]" 1
789 1 44 GLY HA3 1 45 TRP HE1 . . 5.350 4.836 4.612 5.070 . 0 0 "[ . 1 . 2]" 1
790 1 45 TRP H 1 45 TRP HB3 . . 4.060 3.629 3.591 3.660 . 0 0 "[ . 1 . 2]" 1
791 1 45 TRP H 1 45 TRP HD1 . . 3.880 2.585 2.410 2.759 . 0 0 "[ . 1 . 2]" 1
792 1 45 TRP H 1 46 TRP H . . 5.460 4.547 4.498 4.559 . 0 0 "[ . 1 . 2]" 1
793 1 45 TRP HA 1 45 TRP HE3 . . 4.560 3.655 3.484 3.840 . 0 0 "[ . 1 . 2]" 1
794 1 45 TRP HB2 1 45 TRP HE3 . . 3.840 3.898 3.836 3.953 0.113 17 0 "[ . 1 . 2]" 1
795 1 45 TRP HB2 1 46 TRP H . . 4.170 3.755 3.468 3.898 . 0 0 "[ . 1 . 2]" 1
796 1 45 TRP HB2 1 56 TRP HE3 . . 3.670 2.274 1.991 2.459 . 0 0 "[ . 1 . 2]" 1
797 1 45 TRP HB3 1 45 TRP HD1 . . 3.860 3.910 3.897 3.921 0.061 20 0 "[ . 1 . 2]" 1
798 1 45 TRP HB3 1 45 TRP HE3 . . 3.880 2.366 2.341 2.397 . 0 0 "[ . 1 . 2]" 1
799 1 45 TRP HB3 1 46 TRP H . . 4.720 2.572 2.235 2.723 . 0 0 "[ . 1 . 2]" 1
800 1 45 TRP HB3 1 46 TRP HB2 . . 5.370 5.089 4.815 5.197 . 0 0 "[ . 1 . 2]" 1
801 1 45 TRP HB3 1 56 TRP HE3 . . 3.880 2.068 1.982 2.247 . 0 0 "[ . 1 . 2]" 1
802 1 45 TRP HE3 1 46 TRP H . . 5.500 3.645 3.430 3.859 . 0 0 "[ . 1 . 2]" 1
803 1 45 TRP HE3 1 56 TRP H . . 5.380 4.840 4.352 5.258 . 0 0 "[ . 1 . 2]" 1
804 1 45 TRP HE3 1 56 TRP HA . . 4.920 4.400 3.836 4.675 . 0 0 "[ . 1 . 2]" 1
805 1 45 TRP HE3 1 56 TRP HB2 . . 3.940 2.958 2.538 3.404 . 0 0 "[ . 1 . 2]" 1
806 1 45 TRP HE3 1 56 TRP HB3 . . 3.520 2.500 2.286 2.811 . 0 0 "[ . 1 . 2]" 1
807 1 45 TRP HE3 1 57 PHE H . . 4.460 3.214 2.471 3.728 . 0 0 "[ . 1 . 2]" 1
808 1 45 TRP HE3 1 57 PHE HA . . 4.140 3.045 2.475 3.488 . 0 0 "[ . 1 . 2]" 1
809 1 45 TRP HH2 1 57 PHE HA . . 5.500 5.420 4.767 5.512 0.012 4 0 "[ . 1 . 2]" 1
810 1 45 TRP HZ3 1 56 TRP HB2 . . 5.500 4.125 3.704 4.603 . 0 0 "[ . 1 . 2]" 1
811 1 45 TRP HZ3 1 57 PHE HA . . 3.780 3.234 2.484 3.512 . 0 0 "[ . 1 . 2]" 1
812 1 46 TRP H 1 46 TRP HD1 . . 5.500 4.230 4.159 4.331 . 0 0 "[ . 1 . 2]" 1
813 1 46 TRP H 1 47 GLU H . . 5.500 4.251 4.131 4.313 . 0 0 "[ . 1 . 2]" 1
814 1 46 TRP H 1 56 TRP HB3 . . 4.870 3.267 3.168 3.351 . 0 0 "[ . 1 . 2]" 1
815 1 46 TRP H 1 56 TRP HE3 . . 4.750 3.087 2.617 3.430 . 0 0 "[ . 1 . 2]" 1
816 1 46 TRP H 1 56 TRP HZ3 . . 5.240 4.854 4.300 5.265 0.025 7 0 "[ . 1 . 2]" 1
817 1 46 TRP H 1 57 PHE H . . 4.770 2.310 2.030 2.787 . 0 0 "[ . 1 . 2]" 1
818 1 46 TRP H 1 59 SER H . . 4.710 4.212 3.871 4.426 . 0 0 "[ . 1 . 2]" 1
819 1 46 TRP HA 1 46 TRP HD1 . . 3.560 2.139 2.054 2.205 . 0 0 "[ . 1 . 2]" 1
820 1 46 TRP HA 1 46 TRP HE1 . . 5.080 4.513 4.485 4.536 . 0 0 "[ . 1 . 2]" 1
821 1 46 TRP HA 1 47 GLU H . . 3.630 2.222 2.207 2.241 . 0 0 "[ . 1 . 2]" 1
822 1 46 TRP HA 1 56 TRP HE3 . . 4.560 3.522 3.359 3.717 . 0 0 "[ . 1 . 2]" 1
823 1 46 TRP HA 1 56 TRP HZ3 . . 4.810 3.722 3.232 4.064 . 0 0 "[ . 1 . 2]" 1
824 1 46 TRP HB2 1 46 TRP HE3 . . 3.870 3.291 3.230 3.329 . 0 0 "[ . 1 . 2]" 1
825 1 46 TRP HB2 1 47 GLU H . . 4.760 4.534 4.479 4.598 . 0 0 "[ . 1 . 2]" 1
826 1 46 TRP HB2 1 57 PHE QE . . 4.390 4.027 3.378 4.416 0.026 3 0 "[ . 1 . 2]" 1
827 1 46 TRP HB2 1 57 PHE HZ . . 5.500 4.778 4.338 5.345 . 0 0 "[ . 1 . 2]" 1
828 1 46 TRP HB3 1 46 TRP HE3 . . 4.080 2.516 2.490 2.560 . 0 0 "[ . 1 . 2]" 1
829 1 46 TRP HB3 1 47 GLU H . . 4.080 3.610 3.483 3.771 . 0 0 "[ . 1 . 2]" 1
830 1 46 TRP HB3 1 57 PHE QE . . 4.290 3.343 2.737 3.573 . 0 0 "[ . 1 . 2]" 1
831 1 46 TRP HB3 1 57 PHE HZ . . 5.500 3.495 3.133 3.880 . 0 0 "[ . 1 . 2]" 1
832 1 46 TRP HD1 1 47 GLU H . . 5.500 4.060 3.895 4.177 . 0 0 "[ . 1 . 2]" 1
833 1 46 TRP HD1 1 59 SER HB2 . . 5.500 5.427 4.460 5.849 0.349 2 0 "[ . 1 . 2]" 1
834 1 46 TRP HE1 1 59 SER HB2 . . 5.350 5.652 5.045 5.965 0.615 8 5 "[ * . + 1 * . -*2]" 1
835 1 46 TRP HE1 1 59 SER HB3 . . 5.070 5.262 4.808 5.418 0.348 10 0 "[ . 1 . 2]" 1
836 1 46 TRP HE3 1 57 PHE QE . . 4.270 3.160 2.572 3.755 . 0 0 "[ . 1 . 2]" 1
837 1 46 TRP HE3 1 57 PHE HZ . . 3.570 3.108 2.552 3.569 . 0 0 "[ . 1 . 2]" 1
838 1 46 TRP HZ2 1 59 SER HB3 . . 5.500 5.511 5.177 5.990 0.490 18 0 "[ . 1 . 2]" 1
839 1 47 GLU H 1 48 GLY H . . 5.500 4.422 4.313 4.563 . 0 0 "[ . 1 . 2]" 1
840 1 47 GLU H 1 56 TRP HZ3 . . 4.680 3.987 3.831 4.183 . 0 0 "[ . 1 . 2]" 1
841 1 47 GLU HA 1 47 GLU QG . . 3.920 2.740 2.647 2.830 . 0 0 "[ . 1 . 2]" 1
842 1 47 GLU HA 1 48 GLY H . . 3.630 2.210 2.202 2.271 . 0 0 "[ . 1 . 2]" 1
843 1 47 GLU HA 1 56 TRP HA . . 3.400 2.008 1.967 2.180 . 0 0 "[ . 1 . 2]" 1
844 1 47 GLU HA 1 57 PHE H . . 5.150 3.610 3.174 3.911 . 0 0 "[ . 1 . 2]" 1
845 1 47 GLU HA 1 57 PHE QD . . 5.500 3.614 3.076 4.190 . 0 0 "[ . 1 . 2]" 1
846 1 47 GLU HA 1 57 PHE QE . . 4.830 3.795 3.339 4.091 . 0 0 "[ . 1 . 2]" 1
847 1 47 GLU QB 1 48 GLY H . . 4.990 3.815 3.574 3.937 . 0 0 "[ . 1 . 2]" 1
848 1 47 GLU QG 1 48 GLY H . . 3.950 2.943 2.532 3.160 . 0 0 "[ . 1 . 2]" 1
849 1 47 GLU QG 1 54 THR MG . . 4.150 4.311 3.407 5.879 1.729 8 8 "[ ** + ** . * -*]" 1
850 1 47 GLU QG 1 56 TRP HA . . 4.930 4.085 3.893 4.300 . 0 0 "[ . 1 . 2]" 1
851 1 47 GLU QG 1 56 TRP HE1 . . 5.290 4.209 4.112 4.288 . 0 0 "[ . 1 . 2]" 1
852 1 48 GLY H 1 56 TRP HA . . 4.160 3.342 3.235 3.583 . 0 0 "[ . 1 . 2]" 1
853 1 48 GLY H 1 57 PHE QD . . 4.170 3.077 2.698 3.495 . 0 0 "[ . 1 . 2]" 1
854 1 48 GLY H 1 57 PHE QE . . 4.190 2.491 1.946 2.903 . 0 0 "[ . 1 . 2]" 1
855 1 48 GLY HA2 1 57 PHE QE . . 4.850 3.644 3.422 3.929 . 0 0 "[ . 1 . 2]" 1
856 1 48 GLY HA3 1 57 PHE QE . . 3.880 2.171 2.004 2.416 . 0 0 "[ . 1 . 2]" 1
857 1 49 THR H 1 49 THR HB . . 3.400 2.646 2.576 2.729 . 0 0 "[ . 1 . 2]" 1
858 1 49 THR H 1 49 THR MG . . 3.750 3.675 3.623 3.713 . 0 0 "[ . 1 . 2]" 1
859 1 49 THR H 1 50 LEU H . . 4.220 4.267 4.206 4.315 0.095 11 0 "[ . 1 . 2]" 1
860 1 49 THR H 1 57 PHE QE . . 5.220 4.015 3.677 4.562 . 0 0 "[ . 1 . 2]" 1
861 1 49 THR HA 1 49 THR MG . . 3.220 2.638 2.612 2.704 . 0 0 "[ . 1 . 2]" 1
862 1 49 THR HA 1 50 LEU H . . 2.880 2.181 2.160 2.204 . 0 0 "[ . 1 . 2]" 1
863 1 49 THR HA 1 50 LEU HB2 . . 4.650 4.466 4.411 4.521 . 0 0 "[ . 1 . 2]" 1
864 1 49 THR HA 1 53 ARG H . . 5.010 4.661 4.591 4.746 . 0 0 "[ . 1 . 2]" 1
865 1 49 THR HB 1 50 LEU H . . 5.290 4.475 4.414 4.541 . 0 0 "[ . 1 . 2]" 1
866 1 49 THR MG 1 50 LEU H . . 3.380 2.605 2.424 2.817 . 0 0 "[ . 1 . 2]" 1
867 1 49 THR MG 1 51 ASN H . . 4.980 4.832 4.795 4.890 . 0 0 "[ . 1 . 2]" 1
868 1 49 THR MG 1 52 GLY H . . 3.750 3.743 3.657 3.810 0.060 11 0 "[ . 1 . 2]" 1
869 1 49 THR MG 1 52 GLY HA2 . . 4.950 4.572 4.429 4.676 . 0 0 "[ . 1 . 2]" 1
870 1 49 THR MG 1 53 ARG H . . 3.940 3.210 3.019 3.398 . 0 0 "[ . 1 . 2]" 1
871 1 49 THR MG 1 54 THR H . . 5.500 5.359 5.121 5.520 0.020 8 0 "[ . 1 . 2]" 1
872 1 50 LEU H 1 50 LEU HB2 . . 4.110 3.008 2.942 3.091 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU H 1 50 LEU MD1 . . 4.300 4.271 4.243 4.284 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU H 1 50 LEU HG . . 5.450 4.326 4.304 4.361 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU H 1 51 ASN H . . 5.480 4.511 4.489 4.534 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU H 1 53 ARG H . . 3.820 2.944 2.876 3.009 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU H 1 53 ARG QB . . 5.280 2.831 2.663 3.403 . 0 0 "[ . 1 . 2]" 1
878 1 50 LEU H 1 54 THR H . . 5.370 4.182 4.074 4.534 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU HA 1 50 LEU MD1 . . 3.510 1.964 1.921 1.997 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU HB2 1 50 LEU MD1 . . 3.270 2.448 2.380 2.481 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU HB2 1 50 LEU MD2 . . 3.280 2.357 2.303 2.444 . 0 0 "[ . 1 . 2]" 1
882 1 50 LEU HB2 1 51 ASN H . . 5.500 3.792 3.777 3.810 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU HB3 1 50 LEU MD2 . . 3.260 2.331 2.258 2.401 . 0 0 "[ . 1 . 2]" 1
884 1 50 LEU HB3 1 51 ASN H . . 4.650 3.664 3.626 3.694 . 0 0 "[ . 1 . 2]" 1
885 1 50 LEU MD1 1 51 ASN H . . 3.640 1.884 1.846 1.937 . 0 0 "[ . 1 . 2]" 1
886 1 50 LEU MD1 1 51 ASN HB2 . . 4.110 3.254 2.919 4.498 0.388 16 0 "[ . 1 . 2]" 1
887 1 50 LEU MD1 1 51 ASN HB3 . . 4.660 4.309 3.486 4.537 . 0 0 "[ . 1 . 2]" 1
888 1 50 LEU MD1 1 51 ASN HD21 . . 4.300 2.179 1.910 2.655 . 0 0 "[ . 1 . 2]" 1
889 1 50 LEU MD1 1 51 ASN HD22 . . 4.290 3.144 2.186 3.389 . 0 0 "[ . 1 . 2]" 1
890 1 50 LEU MD2 1 51 ASN HD21 . . 5.390 4.149 4.013 4.380 . 0 0 "[ . 1 . 2]" 1
891 1 50 LEU MD2 1 51 ASN HD22 . . 5.500 5.142 3.133 5.518 0.018 19 0 "[ . 1 . 2]" 1
892 1 50 LEU HG 1 51 ASN H . . 5.060 1.983 1.937 2.028 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU HG 1 51 ASN HB2 . . 3.990 3.009 2.746 4.322 0.332 7 0 "[ . 1 . 2]" 1
894 1 50 LEU HG 1 51 ASN HB3 . . 4.290 4.252 4.014 4.311 0.021 17 0 "[ . 1 . 2]" 1
895 1 50 LEU HG 1 51 ASN HD21 . . 4.840 3.425 3.234 3.811 . 0 0 "[ . 1 . 2]" 1
896 1 50 LEU HG 1 51 ASN HD22 . . 5.000 4.687 3.075 5.047 0.047 17 0 "[ . 1 . 2]" 1
897 1 51 ASN H 1 52 GLY H . . 4.560 4.225 4.205 4.242 . 0 0 "[ . 1 . 2]" 1
898 1 51 ASN H 1 53 ARG H . . 5.450 4.298 4.193 4.446 . 0 0 "[ . 1 . 2]" 1
899 1 51 ASN HA 1 53 ARG H . . 5.050 4.005 3.926 4.174 . 0 0 "[ . 1 . 2]" 1
900 1 51 ASN HB2 1 51 ASN HD21 . . 3.320 2.315 2.102 3.234 . 0 0 "[ . 1 . 2]" 1
901 1 51 ASN HB2 1 51 ASN HD22 . . 3.720 3.542 3.445 3.975 0.255 16 0 "[ . 1 . 2]" 1
902 1 51 ASN HB2 1 52 GLY H . . 5.500 4.525 4.050 4.618 . 0 0 "[ . 1 . 2]" 1
903 1 51 ASN HB3 1 51 ASN HD21 . . 3.670 3.199 2.102 3.461 . 0 0 "[ . 1 . 2]" 1
904 1 51 ASN HB3 1 52 GLY H . . 5.350 4.118 4.026 4.530 . 0 0 "[ . 1 . 2]" 1
905 1 51 ASN HB3 1 53 ARG H . . 5.500 5.435 5.277 5.944 0.444 16 0 "[ . 1 . 2]" 1
906 1 52 GLY H 1 53 ARG H . . 3.680 2.604 2.532 2.726 . 0 0 "[ . 1 . 2]" 1
907 1 53 ARG H 1 53 ARG QB . . 3.290 2.550 2.510 2.710 . 0 0 "[ . 1 . 2]" 1
908 1 53 ARG H 1 53 ARG HD3 . . 5.500 5.397 5.102 6.195 0.695 16 1 "[ . 1 .+ 2]" 1
909 1 53 ARG H 1 53 ARG HG3 . . 4.470 4.454 4.090 4.639 0.169 6 0 "[ . 1 . 2]" 1
910 1 53 ARG H 1 54 THR H . . 5.040 4.419 4.044 4.448 . 0 0 "[ . 1 . 2]" 1
911 1 53 ARG H 1 54 THR HA . . 4.860 4.841 4.529 4.883 0.023 13 0 "[ . 1 . 2]" 1
912 1 53 ARG HA 1 53 ARG HD2 . . 4.770 4.054 3.636 4.497 . 0 0 "[ . 1 . 2]" 1
913 1 53 ARG HA 1 53 ARG HG2 . . 3.780 2.313 2.066 3.812 0.032 16 0 "[ . 1 . 2]" 1
914 1 53 ARG HA 1 53 ARG HG3 . . 3.730 3.117 2.347 3.500 . 0 0 "[ . 1 . 2]" 1
915 1 53 ARG HA 1 54 THR H . . 3.440 2.525 2.228 2.598 . 0 0 "[ . 1 . 2]" 1
916 1 53 ARG QB 1 53 ARG HD2 . . 3.150 2.327 1.955 2.750 . 0 0 "[ . 1 . 2]" 1
917 1 53 ARG QB 1 53 ARG HD3 . . 3.490 2.631 2.179 3.033 . 0 0 "[ . 1 . 2]" 1
918 1 53 ARG QB 1 54 THR H . . 3.790 2.693 2.507 3.887 0.097 16 0 "[ . 1 . 2]" 1
919 1 53 ARG QB 1 54 THR HA . . 5.280 3.794 3.728 4.723 . 0 0 "[ . 1 . 2]" 1
920 1 53 ARG HG2 1 54 THR H . . 3.800 3.407 2.575 4.297 0.497 16 0 "[ . 1 . 2]" 1
921 1 53 ARG HG3 1 54 THR H . . 4.280 4.171 2.724 4.424 0.144 2 0 "[ . 1 . 2]" 1
922 1 54 THR H 1 54 THR HB . . 3.270 3.056 2.654 3.329 0.059 10 0 "[ . 1 . 2]" 1
923 1 54 THR H 1 54 THR MG . . 4.420 3.430 2.631 4.029 . 0 0 "[ . 1 . 2]" 1
924 1 54 THR H 1 55 GLY H . . 4.630 4.365 4.287 4.517 . 0 0 "[ . 1 . 2]" 1
925 1 54 THR HA 1 54 THR MG . . 3.290 2.742 2.164 3.217 . 0 0 "[ . 1 . 2]" 1
926 1 54 THR HA 1 55 GLY H . . 3.280 2.437 2.261 2.521 . 0 0 "[ . 1 . 2]" 1
927 1 54 THR HA 1 55 GLY HA2 . . 5.500 4.631 4.506 4.690 . 0 0 "[ . 1 . 2]" 1
928 1 54 THR HB 1 55 GLY H . . 4.020 3.907 3.377 4.069 0.049 15 0 "[ . 1 . 2]" 1
929 1 54 THR MG 1 55 GLY H . . 3.480 2.401 1.801 3.205 . 0 0 "[ . 1 . 2]" 1
930 1 54 THR MG 1 55 GLY HA2 . . 4.720 3.229 2.759 3.646 . 0 0 "[ . 1 . 2]" 1
931 1 55 GLY HA2 1 56 TRP HD1 . . 4.160 2.836 2.553 3.071 . 0 0 "[ . 1 . 2]" 1
932 1 55 GLY HA3 1 56 TRP H . . 3.340 2.467 2.288 2.587 . 0 0 "[ . 1 . 2]" 1
933 1 55 GLY HA3 1 56 TRP HD1 . . 4.710 3.928 3.433 4.168 . 0 0 "[ . 1 . 2]" 1
934 1 56 TRP H 1 56 TRP HB2 . . 4.080 2.476 2.403 2.663 . 0 0 "[ . 1 . 2]" 1
935 1 56 TRP H 1 56 TRP HD1 . . 3.620 2.619 2.500 2.736 . 0 0 "[ . 1 . 2]" 1
936 1 56 TRP H 1 56 TRP HE1 . . 5.500 5.225 5.100 5.324 . 0 0 "[ . 1 . 2]" 1
937 1 56 TRP H 1 57 PHE H . . 5.030 4.506 4.434 4.564 . 0 0 "[ . 1 . 2]" 1
938 1 56 TRP HA 1 56 TRP HE3 . . 5.300 3.900 3.782 4.047 . 0 0 "[ . 1 . 2]" 1
939 1 56 TRP HA 1 57 PHE H . . 3.460 2.442 2.229 2.614 . 0 0 "[ . 1 . 2]" 1
940 1 56 TRP HA 1 57 PHE QD . . 4.140 3.080 2.639 3.595 . 0 0 "[ . 1 . 2]" 1
941 1 56 TRP HB2 1 56 TRP HD1 . . 3.280 2.979 2.924 3.043 . 0 0 "[ . 1 . 2]" 1
942 1 56 TRP HB2 1 57 PHE H . . 5.070 3.794 3.462 4.278 . 0 0 "[ . 1 . 2]" 1
943 1 56 TRP HB3 1 57 PHE H . . 4.880 2.630 2.234 3.296 . 0 0 "[ . 1 . 2]" 1
944 1 56 TRP HE3 1 57 PHE H . . 5.000 3.902 3.514 4.593 . 0 0 "[ . 1 . 2]" 1
945 1 57 PHE H 1 57 PHE QD . . 4.000 2.945 1.931 3.530 . 0 0 "[ . 1 . 2]" 1
946 1 57 PHE HA 1 57 PHE QD . . 4.310 3.742 3.688 3.760 . 0 0 "[ . 1 . 2]" 1
947 1 57 PHE QD 1 62 VAL QG . . 3.600 2.436 2.078 3.093 . 0 0 "[ . 1 . 2]" 1
948 1 57 PHE QE 1 59 SER HA . . 3.860 2.858 2.205 3.655 . 0 0 "[ . 1 . 2]" 1
949 1 57 PHE QE 1 59 SER HB3 . . 4.930 3.929 2.756 5.743 0.813 6 1 "[ .+ 1 . 2]" 1
950 1 57 PHE QE 1 62 VAL QG . . 3.060 2.032 1.874 2.406 . 0 0 "[ . 1 . 2]" 1
951 1 58 PRO HB3 1 61 TYR QD . . 4.150 3.414 2.817 4.355 0.205 8 0 "[ . 1 . 2]" 1
952 1 58 PRO HB3 1 61 TYR QE . . 4.110 3.578 2.856 3.997 . 0 0 "[ . 1 . 2]" 1
953 1 59 SER H 1 60 ASN H . . 4.070 2.347 2.187 2.483 . 0 0 "[ . 1 . 2]" 1
954 1 59 SER HA 1 61 TYR H . . 5.330 3.957 3.516 4.571 . 0 0 "[ . 1 . 2]" 1
955 1 59 SER HA 1 62 VAL H . . 5.160 3.285 2.810 3.588 . 0 0 "[ . 1 . 2]" 1
956 1 59 SER HA 1 62 VAL QG . . 3.840 2.011 1.823 2.505 . 0 0 "[ . 1 . 2]" 1
957 1 59 SER HB2 1 60 ASN H . . 5.500 4.019 3.363 4.405 . 0 0 "[ . 1 . 2]" 1
958 1 60 ASN H 1 60 ASN HB2 . . 3.970 2.172 2.023 2.506 . 0 0 "[ . 1 . 2]" 1
959 1 60 ASN H 1 60 ASN HB3 . . 3.870 3.231 2.682 3.578 . 0 0 "[ . 1 . 2]" 1
960 1 60 ASN H 1 61 TYR H . . 4.150 2.704 2.465 2.922 . 0 0 "[ . 1 . 2]" 1
961 1 60 ASN H 1 61 TYR QB . . 5.500 4.503 4.113 5.182 . 0 0 "[ . 1 . 2]" 1
962 1 60 ASN H 1 61 TYR QD . . 5.170 3.677 3.200 4.480 . 0 0 "[ . 1 . 2]" 1
963 1 60 ASN H 1 61 TYR QE . . 5.500 5.246 4.613 5.514 0.014 3 0 "[ . 1 . 2]" 1
964 1 60 ASN H 1 62 VAL H . . 4.900 4.542 3.934 4.755 . 0 0 "[ . 1 . 2]" 1
965 1 60 ASN HB2 1 61 TYR H . . 5.500 3.192 2.780 3.750 . 0 0 "[ . 1 . 2]" 1
966 1 60 ASN HB2 1 61 TYR QD . . 4.180 3.134 2.636 3.994 . 0 0 "[ . 1 . 2]" 1
967 1 60 ASN HB3 1 61 TYR QD . . 4.220 2.754 2.341 3.758 . 0 0 "[ . 1 . 2]" 1
968 1 61 TYR H 1 61 TYR QB . . 3.810 2.175 2.070 2.606 . 0 0 "[ . 1 . 2]" 1
969 1 61 TYR H 1 61 TYR QD . . 4.200 2.028 1.906 2.674 . 0 0 "[ . 1 . 2]" 1
970 1 61 TYR H 1 61 TYR QE . . 4.240 4.300 4.036 4.368 0.128 20 0 "[ . 1 . 2]" 1
971 1 61 TYR H 1 62 VAL H . . 3.800 2.690 2.335 2.871 . 0 0 "[ . 1 . 2]" 1
972 1 61 TYR H 1 62 VAL QG . . 4.340 3.746 3.454 4.289 . 0 0 "[ . 1 . 2]" 1
973 1 61 TYR HA 1 61 TYR QD . . 3.800 2.951 2.396 3.235 . 0 0 "[ . 1 . 2]" 1
974 1 61 TYR HA 1 61 TYR QE . . 4.900 4.715 4.628 4.866 . 0 0 "[ . 1 . 2]" 1
975 1 61 TYR QB 1 62 VAL H . . 4.600 2.148 2.059 2.439 . 0 0 "[ . 1 . 2]" 1
976 1 61 TYR QB 1 62 VAL QG . . 3.950 2.864 2.525 3.824 . 0 0 "[ . 1 . 2]" 1
977 1 61 TYR QD 1 62 VAL H . . 4.870 4.080 3.738 4.244 . 0 0 "[ . 1 . 2]" 1
978 1 62 VAL H 1 62 VAL QG . . 3.180 2.068 1.813 2.842 . 0 0 "[ . 1 . 2]" 1
979 1 62 VAL HA 1 62 VAL QG . . 3.340 2.315 2.065 2.459 . 0 0 "[ . 1 . 2]" 1
980 1 62 VAL QG 1 64 GLU H . . 5.500 4.586 4.035 5.057 . 0 0 "[ . 1 . 2]" 1
981 1 63 ARG HB2 1 64 GLU H . . 4.630 4.114 2.930 4.339 . 0 0 "[ . 1 . 2]" 1
982 1 63 ARG HB3 1 63 ARG HG2 . . 3.020 2.543 2.265 2.959 . 0 0 "[ . 1 . 2]" 1
983 1 63 ARG HB3 1 64 GLU H . . 4.150 3.347 2.603 4.134 . 0 0 "[ . 1 . 2]" 1
984 1 63 ARG HG2 1 64 GLU H . . 4.590 3.184 2.136 4.947 0.357 3 0 "[ . 1 . 2]" 1
985 1 63 ARG HG3 1 64 GLU H . . 5.420 3.572 2.279 5.152 . 0 0 "[ . 1 . 2]" 1
986 1 64 GLU H 1 64 GLU QB . . 2.960 2.239 2.175 2.296 . 0 0 "[ . 1 . 2]" 1
987 1 64 GLU H 1 65 ILE H . . 4.940 4.569 4.500 4.612 . 0 0 "[ . 1 . 2]" 1
988 1 64 GLU H 1 66 LYS H . . 5.110 6.444 6.015 6.745 1.635 9 20 [********+*******-***] 1
989 1 64 GLU HA 1 64 GLU QG . . 3.430 2.619 2.544 2.715 . 0 0 "[ . 1 . 2]" 1
990 1 64 GLU HA 1 65 ILE H . . 3.220 2.319 2.270 2.401 . 0 0 "[ . 1 . 2]" 1
991 1 64 GLU HA 1 65 ILE MD . . 4.930 4.277 3.554 5.066 0.136 5 0 "[ . 1 . 2]" 1
992 1 64 GLU HA 1 65 ILE HG12 . . 5.500 3.628 3.249 4.558 . 0 0 "[ . 1 . 2]" 1
993 1 64 GLU QB 1 65 ILE H . . 4.240 3.590 3.477 3.680 . 0 0 "[ . 1 . 2]" 1
994 1 64 GLU QB 1 66 LYS H . . 4.090 4.762 4.335 5.046 0.956 9 15 "[*** * **+** **.* **-]" 1
995 1 64 GLU QG 1 65 ILE H . . 3.810 2.175 2.018 2.291 . 0 0 "[ . 1 . 2]" 1
996 1 64 GLU QG 1 65 ILE HA . . 5.500 3.579 3.521 3.719 . 0 0 "[ . 1 . 2]" 1
997 1 64 GLU QG 1 66 LYS H . . 5.330 2.642 2.080 2.966 . 0 0 "[ . 1 . 2]" 1
998 1 64 GLU QG 1 66 LYS QG . . 3.740 4.337 4.037 4.687 0.947 16 13 "[* **-** *1* **.+ **2]" 1
999 1 65 ILE H 1 65 ILE HB . . 3.460 2.504 2.437 2.629 . 0 0 "[ . 1 . 2]" 1
1000 1 65 ILE H 1 65 ILE MD . . 4.020 3.602 3.088 4.033 0.013 5 0 "[ . 1 . 2]" 1
1001 1 65 ILE H 1 65 ILE HG12 . . 3.840 2.721 2.355 3.640 . 0 0 "[ . 1 . 2]" 1
1002 1 65 ILE H 1 65 ILE HG13 . . 3.790 3.715 2.551 4.028 0.238 19 0 "[ . 1 . 2]" 1
1003 1 65 ILE H 1 65 ILE MG . . 3.780 3.782 3.741 3.826 0.046 13 0 "[ . 1 . 2]" 1
1004 1 65 ILE H 1 66 LYS H . . 3.930 2.203 1.955 2.385 . 0 0 "[ . 1 . 2]" 1
1005 1 65 ILE HA 1 65 ILE MD . . 3.710 2.264 1.937 3.730 0.020 3 0 "[ . 1 . 2]" 1
1006 1 65 ILE HA 1 65 ILE HG12 . . 3.800 3.000 2.418 3.325 . 0 0 "[ . 1 . 2]" 1
1007 1 65 ILE HA 1 65 ILE HG13 . . 3.670 3.663 3.181 3.804 0.134 14 0 "[ . 1 . 2]" 1
1008 1 65 ILE HA 1 65 ILE MG . . 3.230 2.371 2.277 2.471 . 0 0 "[ . 1 . 2]" 1
1009 1 65 ILE HA 1 66 LYS H . . 3.010 3.622 3.566 3.639 0.629 9 20 [********+**-********] 1
1010 1 65 ILE HG13 1 66 LYS H . . 5.380 4.735 4.006 5.099 . 0 0 "[ . 1 . 2]" 1
1011 1 65 ILE MG 1 66 LYS H . . 4.130 3.401 3.131 3.754 . 0 0 "[ . 1 . 2]" 1
1012 1 66 LYS H 1 66 LYS QB . . 3.490 2.254 2.152 2.371 . 0 0 "[ . 1 . 2]" 1
1013 1 66 LYS H 1 66 LYS QG . . 4.080 2.758 2.251 3.839 . 0 0 "[ . 1 . 2]" 1
1014 1 66 LYS HA 1 66 LYS QG . . 3.980 2.341 2.087 2.643 . 0 0 "[ . 1 . 2]" 1
1015 1 66 LYS HA 1 67 SER H . . 3.330 2.188 2.176 2.221 . 0 0 "[ . 1 . 2]" 1
1016 1 66 LYS QB 1 66 LYS HE2 . . 3.230 3.176 2.161 3.913 0.683 17 5 "[ .* -1 * * + 2]" 1
1017 1 66 LYS QB 1 67 SER H . . 4.470 3.531 3.164 4.024 . 0 0 "[ . 1 . 2]" 1
1018 1 66 LYS QB 1 68 SER H . . 4.520 3.167 2.717 4.124 . 0 0 "[ . 1 . 2]" 1
1019 1 66 LYS QB 1 69 GLU QB . . 2.610 2.255 1.979 2.606 . 0 0 "[ . 1 . 2]" 1
1020 1 66 LYS QB 1 69 GLU QG . . 2.960 2.301 1.872 2.908 . 0 0 "[ . 1 . 2]" 1
1021 1 66 LYS QG 1 67 SER H . . 5.500 3.992 2.741 4.601 . 0 0 "[ . 1 . 2]" 1
1022 1 67 SER H 1 67 SER HB2 . . 3.990 2.639 2.084 3.612 . 0 0 "[ . 1 . 2]" 1
1023 1 67 SER H 1 67 SER HB3 . . 3.870 3.116 2.380 3.567 . 0 0 "[ . 1 . 2]" 1
1024 1 67 SER H 1 68 SER H . . 3.980 2.307 2.182 2.550 . 0 0 "[ . 1 . 2]" 1
1025 1 67 SER HA 1 67 SER HB2 . . 3.040 2.793 2.368 3.041 0.001 6 0 "[ . 1 . 2]" 1
1026 1 67 SER HA 1 68 SER H . . 3.580 3.457 3.391 3.530 . 0 0 "[ . 1 . 2]" 1
1027 1 67 SER HA 1 70 ARG QD . . 5.420 4.512 2.729 6.992 1.572 18 1 "[ . 1 . + 2]" 1
1028 1 67 SER HA 1 70 ARG QG . . 5.400 4.191 2.117 6.181 0.781 18 1 "[ . 1 . + 2]" 1
1029 1 68 SER H 1 68 SER HB2 . . 3.950 2.354 2.063 3.625 . 0 0 "[ . 1 . 2]" 1
1030 1 68 SER HA 1 69 GLU H . . 3.300 3.398 3.394 3.413 0.113 12 0 "[ . 1 . 2]" 1
1031 1 68 SER HB2 1 69 GLU H . . 4.590 3.765 3.467 4.313 . 0 0 "[ . 1 . 2]" 1
1032 1 69 GLU H 1 69 GLU QB . . 3.390 2.301 2.097 2.486 . 0 0 "[ . 1 . 2]" 1
1033 1 69 GLU H 1 69 GLU QG . . 3.820 2.869 1.993 3.831 0.011 2 0 "[ . 1 . 2]" 1
1034 1 69 GLU HA 1 69 GLU QG . . 3.290 2.632 2.257 3.386 0.096 18 0 "[ . 1 . 2]" 1
1035 1 69 GLU QB 1 70 ARG H . . 4.100 2.859 2.511 3.525 . 0 0 "[ . 1 . 2]" 1
1036 1 69 GLU QB 1 70 ARG QG . . 3.720 4.642 4.056 5.677 1.957 19 17 "[*** ***-***** .***+*]" 1
1037 1 69 GLU QG 1 70 ARG H . . 4.740 4.235 2.233 4.793 0.053 2 0 "[ . 1 . 2]" 1
1038 1 70 ARG H 1 70 ARG HB2 . . 3.460 2.374 2.022 3.550 0.090 14 0 "[ . 1 . 2]" 1
1039 1 70 ARG H 1 70 ARG HB3 . . 3.980 2.953 2.219 3.338 . 0 0 "[ . 1 . 2]" 1
1040 1 70 ARG H 1 70 ARG QG . . 3.840 3.320 2.106 3.777 . 0 0 "[ . 1 . 2]" 1
1041 1 70 ARG H 1 71 SER H . . 3.500 2.644 2.159 2.969 . 0 0 "[ . 1 . 2]" 1
1042 1 70 ARG HA 1 70 ARG QD . . 4.190 3.804 2.175 4.289 0.099 17 0 "[ . 1 . 2]" 1
1043 1 70 ARG HA 1 70 ARG QG . . 3.330 2.359 1.971 3.336 0.006 15 0 "[ . 1 . 2]" 1
1044 1 70 ARG HA 1 71 SER H . . 3.380 3.600 3.530 3.647 0.267 6 0 "[ . 1 . 2]" 1
1045 1 70 ARG HB2 1 70 ARG QG . . 2.590 2.307 2.180 2.534 . 0 0 "[ . 1 . 2]" 1
1046 1 70 ARG HB2 1 71 SER H . . 3.930 3.445 2.987 4.079 0.149 5 0 "[ . 1 . 2]" 1
1047 1 71 SER H 1 71 SER QB . . 3.060 2.268 2.093 2.707 . 0 0 "[ . 1 . 2]" 1
1048 1 71 SER H 1 72 GLY QA . . 5.500 4.176 3.878 4.547 . 0 0 "[ . 1 . 2]" 1
1049 1 71 SER HA 1 72 GLY H . . 3.330 3.203 3.159 3.367 0.037 17 0 "[ . 1 . 2]" 1
1050 1 71 SER QB 1 72 GLY H . . 4.180 3.646 3.353 4.037 . 0 0 "[ . 1 . 2]" 1
1051 1 72 GLY H 1 73 PRO QD . . 4.700 2.838 2.235 3.540 . 0 0 "[ . 1 . 2]" 1
1052 1 72 GLY QA 1 73 PRO QD . . 3.170 1.991 1.837 2.274 . 0 0 "[ . 1 . 2]" 1
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