NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569861 |
2mhd   |
19627 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhd
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 1553
_Distance_constraint_stats_list.Viol_count 3069
_Distance_constraint_stats_list.Viol_total 5777.951
_Distance_constraint_stats_list.Viol_max 0.996
_Distance_constraint_stats_list.Viol_rms 0.0483
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0991
_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 2 ASP 0.333 0.079 7 0 "[ . 1 . ]"
1 3 GLU 5.541 0.978 15 1 "[ . 1 + ]"
1 4 ASP 2.472 0.092 3 0 "[ . 1 . ]"
1 5 ASP 5.963 0.978 15 1 "[ . 1 + ]"
1 6 LYS 1.894 0.113 19 0 "[ . 1 . ]"
1 7 VAL 2.860 0.432 12 0 "[ . 1 . ]"
1 8 GLU 4.986 0.740 11 1 "[ . 1+ . ]"
1 9 ILE 1.421 0.129 1 0 "[ . 1 . ]"
1 10 PRO 0.841 0.740 11 1 "[ . 1+ . ]"
1 11 GLN 5.019 0.777 4 1 "[ +. 1 . ]"
1 12 LEU 2.296 0.099 4 0 "[ . 1 . ]"
1 13 VAL 0.247 0.071 10 0 "[ . 1 . ]"
1 14 GLY 0.247 0.071 10 0 "[ . 1 . ]"
1 15 LYS 8.839 0.960 19 5 "[ . * **-. +]"
1 16 TRP 17.920 0.550 12 3 "[ . 1 +*-. ]"
1 17 ILE 7.911 0.422 18 0 "[ . 1 . ]"
1 18 VAL 8.523 0.894 6 1 "[ .+ 1 . ]"
1 19 LYS 6.850 0.650 12 1 "[ . 1 + . ]"
1 20 GLU 4.660 0.650 12 1 "[ . 1 + . ]"
1 21 PRO 3.217 0.090 16 0 "[ . 1 . ]"
1 22 VAL 2.042 0.113 5 0 "[ . 1 . ]"
1 23 LEU 5.738 0.476 11 0 "[ . 1 . ]"
1 24 GLN 20.135 0.669 5 7 "[ +* 1* -** * ]"
1 25 ASP 1.672 0.118 7 0 "[ . 1 . ]"
1 26 ASP 1.702 0.279 11 0 "[ . 1 . ]"
1 27 PHE 4.600 0.108 11 0 "[ . 1 . ]"
1 28 VAL 3.491 0.098 9 0 "[ . 1 . ]"
1 29 THR 4.643 0.153 15 0 "[ . 1 . ]"
1 30 CYS 5.863 0.426 3 0 "[ . 1 . ]"
1 31 TYR 5.593 0.751 19 1 "[ . 1 . +]"
1 32 THR 6.343 0.960 19 2 "[ . 1 -. +]"
1 33 PHE 1.425 0.146 13 0 "[ . 1 . ]"
1 34 ASN 3.231 0.086 5 0 "[ . 1 . ]"
1 35 ALA 0.772 0.087 17 0 "[ . 1 . ]"
1 36 ASP 2.747 0.282 6 0 "[ . 1 . ]"
1 37 LYS 2.416 0.116 19 0 "[ . 1 . ]"
1 38 THR 5.323 0.426 11 0 "[ . 1 . ]"
1 39 TYR 6.443 0.813 19 2 "[ . 1 -. +]"
1 40 GLU 9.609 0.620 12 4 "[ - 1 + . * *]"
1 41 VAL 9.148 0.620 12 4 "[ - 1 + . * *]"
1 42 TYR 8.370 0.444 4 0 "[ . 1 . ]"
1 43 THR 3.169 0.356 19 0 "[ . 1 . ]"
1 44 GLY 1.168 0.098 1 0 "[ . 1 . ]"
1 45 SER 0.669 0.091 13 0 "[ . 1 . ]"
1 46 PRO 4.821 0.996 13 4 "[ . * 1- + . *]"
1 47 LEU 6.749 0.996 13 4 "[ . * 1- + . *]"
1 48 SER 8.589 0.767 19 5 "[* * . 1 .- *+]"
1 49 ASN 7.189 0.767 19 5 "[* * . 1 .- *+]"
1 50 GLY 3.883 0.344 17 0 "[ . 1 . ]"
1 51 VAL 5.789 0.344 17 0 "[ . 1 . ]"
1 52 PRO 4.473 0.444 4 0 "[ . 1 . ]"
1 53 PHE 3.812 0.137 14 0 "[ . 1 . ]"
1 54 ARG 6.378 0.813 19 2 "[ . 1 -. +]"
1 55 GLY 4.896 0.494 4 0 "[ . 1 . ]"
1 56 THR 3.026 0.103 18 0 "[ . 1 . ]"
1 57 TYR 9.045 0.408 12 0 "[ . 1 . ]"
1 58 ILE 7.193 0.408 12 0 "[ . 1 . ]"
1 59 ILE 1.351 0.110 11 0 "[ . 1 . ]"
1 60 SER 0.199 0.086 4 0 "[ . 1 . ]"
1 61 LEU 0.311 0.074 4 0 "[ . 1 . ]"
1 62 ASP 0.202 0.088 8 0 "[ . 1 . ]"
1 63 GLU 0.539 0.095 3 0 "[ . 1 . ]"
1 64 LYS 0.608 0.088 8 0 "[ . 1 . ]"
1 65 LEU 0.993 0.110 11 0 "[ . 1 . ]"
1 66 ILE 2.196 0.432 16 0 "[ . 1 . ]"
1 67 LYS 2.582 0.124 18 0 "[ . 1 . ]"
1 68 LEU 3.536 0.119 8 0 "[ . 1 . ]"
1 69 TYR 6.169 0.681 18 1 "[ . 1 . + ]"
1 70 ASP 3.375 0.113 18 0 "[ . 1 . ]"
1 71 LYS 1.862 0.118 13 0 "[ . 1 . ]"
1 72 GLU 0.261 0.099 14 0 "[ . 1 . ]"
1 73 GLU 3.160 0.681 18 1 "[ . 1 . + ]"
1 74 HIS 6.293 0.359 7 0 "[ . 1 . ]"
1 75 CYS 1.662 0.111 18 0 "[ . 1 . ]"
1 76 THR 3.458 0.137 14 0 "[ . 1 . ]"
1 77 GLU 1.585 0.103 7 0 "[ . 1 . ]"
1 78 GLN 5.374 0.121 16 0 "[ . 1 . ]"
1 79 TYR 3.896 0.719 16 1 "[ . 1 .+ ]"
1 80 HIS 4.138 0.719 16 1 "[ . 1 .+ ]"
1 81 ILE 5.322 0.115 17 0 "[ . 1 . ]"
1 82 LEU 1.599 0.100 19 0 "[ . 1 . ]"
1 83 LYS 14.791 0.656 9 2 "[ . - +1 . ]"
1 84 LEU 2.386 0.102 1 0 "[ . 1 . ]"
1 85 THR 4.603 0.113 19 0 "[ . 1 . ]"
1 86 SER 0.988 0.275 11 0 "[ . 1 . ]"
1 87 LYS 4.489 0.987 7 1 "[ . + 1 . ]"
1 88 GLU 4.615 0.987 7 1 "[ . + 1 . ]"
1 89 MET 6.350 0.531 7 1 "[ . + 1 . ]"
1 90 LYS 5.559 0.649 7 1 "[ . + 1 . ]"
1 91 TRP 8.990 0.290 16 0 "[ . 1 . ]"
1 92 GLU 3.652 0.584 1 1 "[+ . 1 . ]"
1 93 ASN 4.666 0.198 14 0 "[ . 1 . ]"
1 94 ALA 1.677 0.121 16 0 "[ . 1 . ]"
1 95 SER 7.857 0.423 10 0 "[ . 1 . ]"
1 96 PRO 5.624 0.423 10 0 "[ . 1 . ]"
1 97 LYS 9.105 0.517 8 1 "[ . + 1 . ]"
1 98 ASP 1.593 0.123 9 0 "[ . 1 . ]"
1 99 GLY 5.016 0.497 16 0 "[ . 1 . ]"
1 100 ASN 1.551 0.103 7 0 "[ . 1 . ]"
1 101 SER 5.849 0.664 16 2 "[ . 1 .+- ]"
1 102 ASP 15.548 0.664 16 7 "[* *. * 1 .+***]"
1 103 LYS 23.665 0.951 11 10 "[**- ** *1+ * .* *]"
1 104 ARG 2.299 0.099 5 0 "[ . 1 . ]"
1 105 LEU 4.912 0.358 16 0 "[ . 1 . ]"
1 106 GLU 5.371 0.342 2 0 "[ . 1 . ]"
1 107 LYS 9.560 0.342 2 0 "[ . 1 . ]"
1 108 TYR 5.303 0.712 10 1 "[ . + . ]"
1 109 ASN 3.956 0.096 2 0 "[ . 1 . ]"
1 110 ASP 2.803 0.358 17 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 2 ASP HA 1 3 GLU H . . 3.500 2.725 2.144 3.579 0.079 7 0 "[ . 1 . ]" 1
2 1 3 GLU H 1 3 GLU HB2 . . 3.670 3.202 2.452 4.007 0.337 1 0 "[ . 1 . ]" 1
3 1 3 GLU H 1 3 GLU HG2 . . 5.440 4.050 2.251 5.153 . 0 0 "[ . 1 . ]" 1
4 1 3 GLU H 1 3 GLU QG . . 5.070 3.491 2.185 4.477 . 0 0 "[ . 1 . ]" 1
5 1 3 GLU H 1 4 ASP H . . 3.390 3.018 2.062 3.482 0.092 3 0 "[ . 1 . ]" 1
6 1 3 GLU H 1 4 ASP QB . . 4.850 4.110 3.186 4.735 . 0 0 "[ . 1 . ]" 1
7 1 3 GLU HA 1 3 GLU QG . . 3.490 2.711 2.129 3.549 0.059 1 0 "[ . 1 . ]" 1
8 1 3 GLU HA 1 4 ASP H . . 3.150 2.590 2.109 3.187 0.037 6 0 "[ . 1 . ]" 1
9 1 3 GLU HA 1 5 ASP H . . 4.570 3.729 3.250 4.635 0.065 4 0 "[ . 1 . ]" 1
10 1 3 GLU HB2 1 3 GLU QG . . 2.550 2.345 2.127 2.564 0.014 5 0 "[ . 1 . ]" 1
11 1 3 GLU HB2 1 5 ASP H . . 5.500 5.358 4.266 6.478 0.978 15 1 "[ . 1 + ]" 1
12 1 3 GLU HB3 1 3 GLU QG . . 2.400 2.319 2.132 2.513 0.113 12 0 "[ . 1 . ]" 1
13 1 4 ASP H 1 4 ASP QB . . 3.230 2.737 2.202 3.134 . 0 0 "[ . 1 . ]" 1
14 1 4 ASP H 1 5 ASP H . . 2.400 2.426 2.102 2.492 0.092 15 0 "[ . 1 . ]" 1
15 1 4 ASP HA 1 5 ASP H . . 2.840 2.805 2.438 2.929 0.089 6 0 "[ . 1 . ]" 1
16 1 4 ASP HA 1 6 LYS H . . 5.500 4.138 3.112 5.104 . 0 0 "[ . 1 . ]" 1
17 1 5 ASP H 1 5 ASP QB . . 3.190 2.834 2.106 3.293 0.103 5 0 "[ . 1 . ]" 1
18 1 5 ASP H 1 6 LYS H . . 3.310 2.589 2.036 3.219 . 0 0 "[ . 1 . ]" 1
19 1 5 ASP H 1 6 LYS QG . . 5.340 4.139 3.185 5.129 . 0 0 "[ . 1 . ]" 1
20 1 5 ASP H 1 85 THR MG . . 5.500 4.570 2.766 5.385 . 0 0 "[ . 1 . ]" 1
21 1 5 ASP HA 1 5 ASP QB . . 2.740 2.396 2.194 2.559 . 0 0 "[ . 1 . ]" 1
22 1 5 ASP HA 1 6 LYS H . . 3.080 2.875 2.359 3.174 0.094 3 0 "[ . 1 . ]" 1
23 1 5 ASP QB 1 6 LYS H . . 4.280 3.883 3.515 4.124 . 0 0 "[ . 1 . ]" 1
24 1 6 LYS H 1 6 LYS QB . . 3.170 2.798 2.428 3.282 0.112 16 0 "[ . 1 . ]" 1
25 1 6 LYS H 1 6 LYS QG . . 4.380 3.173 2.046 3.953 . 0 0 "[ . 1 . ]" 1
26 1 6 LYS H 1 7 VAL H . . 4.370 4.301 2.899 4.451 0.081 15 0 "[ . 1 . ]" 1
27 1 6 LYS H 1 85 THR MG . . 4.630 3.820 2.994 4.743 0.113 19 0 "[ . 1 . ]" 1
28 1 6 LYS HA 1 6 LYS QG . . 3.870 2.425 2.030 3.368 . 0 0 "[ . 1 . ]" 1
29 1 6 LYS HA 1 7 VAL H . . 2.500 2.273 2.079 2.518 0.018 13 0 "[ . 1 . ]" 1
30 1 6 LYS QB 1 7 VAL H . . 3.850 2.773 2.100 3.922 0.072 5 0 "[ . 1 . ]" 1
31 1 6 LYS QG 1 7 VAL H . . 5.500 3.702 2.568 4.471 . 0 0 "[ . 1 . ]" 1
32 1 7 VAL H 1 7 VAL HB . . 3.190 2.702 2.140 3.275 0.085 13 0 "[ . 1 . ]" 1
33 1 7 VAL H 1 7 VAL QG . . 3.580 2.048 1.750 2.458 . 0 0 "[ . 1 . ]" 1
34 1 7 VAL H 1 7 VAL MG2 . . 3.940 3.763 3.570 4.015 0.075 15 0 "[ . 1 . ]" 1
35 1 7 VAL H 1 8 GLU H . . 5.060 4.360 3.733 4.708 . 0 0 "[ . 1 . ]" 1
36 1 7 VAL HA 1 7 VAL QG . . 3.160 2.329 2.202 2.439 . 0 0 "[ . 1 . ]" 1
37 1 7 VAL HA 1 8 GLU H . . 2.920 2.187 2.022 2.514 . 0 0 "[ . 1 . ]" 1
38 1 7 VAL HA 1 84 LEU H . . 3.210 3.045 2.512 3.290 0.080 13 0 "[ . 1 . ]" 1
39 1 7 VAL HA 1 84 LEU HB2 . . 4.050 3.814 2.551 4.131 0.081 5 0 "[ . 1 . ]" 1
40 1 7 VAL HA 1 84 LEU HB3 . . 3.270 2.566 2.196 3.157 . 0 0 "[ . 1 . ]" 1
41 1 7 VAL HB 1 83 LYS QE . . 4.000 3.678 2.711 3.991 . 0 0 "[ . 1 . ]" 1
42 1 7 VAL QG 1 8 GLU H . . 4.750 2.895 2.176 3.672 . 0 0 "[ . 1 . ]" 1
43 1 7 VAL QG 1 83 LYS H . . 5.470 4.910 4.408 5.545 0.075 8 0 "[ . 1 . ]" 1
44 1 7 VAL QG 1 83 LYS HD3 . . 5.500 4.594 3.021 5.932 0.432 12 0 "[ . 1 . ]" 1
45 1 7 VAL QG 1 83 LYS QE . . 3.960 3.727 3.163 3.949 . 0 0 "[ . 1 . ]" 1
46 1 7 VAL QG 1 84 LEU H . . 3.850 2.927 1.722 3.857 0.007 17 0 "[ . 1 . ]" 1
47 1 7 VAL QG 1 84 LEU HB2 . . 3.620 2.610 2.117 3.702 0.082 17 0 "[ . 1 . ]" 1
48 1 7 VAL MG2 1 8 GLU H . . 4.590 2.969 2.203 3.961 . 0 0 "[ . 1 . ]" 1
49 1 7 VAL MG2 1 84 LEU H . . 4.770 3.066 1.723 4.203 . 0 0 "[ . 1 . ]" 1
50 1 8 GLU H 1 8 GLU HB2 . . 3.640 2.559 1.969 3.717 0.077 13 0 "[ . 1 . ]" 1
51 1 8 GLU H 1 8 GLU HB3 . . 3.740 3.470 3.123 3.787 0.047 11 0 "[ . 1 . ]" 1
52 1 8 GLU H 1 8 GLU HG2 . . 4.040 3.543 2.149 4.355 0.315 7 0 "[ . 1 . ]" 1
53 1 8 GLU H 1 8 GLU HG3 . . 4.290 3.769 2.431 4.375 0.085 16 0 "[ . 1 . ]" 1
54 1 8 GLU H 1 84 LEU H . . 4.960 4.742 4.008 5.047 0.087 16 0 "[ . 1 . ]" 1
55 1 8 GLU H 1 84 LEU HB2 . . 5.020 4.357 3.237 5.089 0.069 16 0 "[ . 1 . ]" 1
56 1 8 GLU H 1 84 LEU HB3 . . 3.860 2.832 2.017 3.515 . 0 0 "[ . 1 . ]" 1
57 1 8 GLU H 1 84 LEU QD . . 4.500 3.163 1.814 3.983 . 0 0 "[ . 1 . ]" 1
58 1 8 GLU H 1 85 THR MG . . 5.500 5.517 5.008 5.605 0.105 19 0 "[ . 1 . ]" 1
59 1 8 GLU HA 1 8 GLU HG2 . . 3.740 2.652 2.119 3.752 0.012 3 0 "[ . 1 . ]" 1
60 1 8 GLU HA 1 8 GLU HG3 . . 3.790 3.473 2.612 3.857 0.067 13 0 "[ . 1 . ]" 1
61 1 8 GLU HA 1 9 ILE H . . 3.020 2.275 2.056 2.455 . 0 0 "[ . 1 . ]" 1
62 1 8 GLU HA 1 9 ILE HB . . 4.620 4.525 4.110 4.687 0.067 4 0 "[ . 1 . ]" 1
63 1 8 GLU HA 1 10 PRO HD2 . . 4.190 3.629 3.088 4.227 0.037 2 0 "[ . 1 . ]" 1
64 1 8 GLU HB2 1 10 PRO HD2 . . 5.260 4.112 2.822 4.832 . 0 0 "[ . 1 . ]" 1
65 1 8 GLU HB3 1 10 PRO HD2 . . 5.500 2.872 2.207 4.485 . 0 0 "[ . 1 . ]" 1
66 1 8 GLU HG3 1 10 PRO HD2 . . 5.500 4.788 4.155 6.240 0.740 11 1 "[ . 1+ . ]" 1
67 1 9 ILE H 1 9 ILE HB . . 3.450 2.320 2.127 2.554 . 0 0 "[ . 1 . ]" 1
68 1 9 ILE H 1 9 ILE MD . . 5.500 2.787 1.813 3.927 . 0 0 "[ . 1 . ]" 1
69 1 9 ILE H 1 9 ILE HG12 . . 4.570 3.498 2.238 4.293 . 0 0 "[ . 1 . ]" 1
70 1 9 ILE H 1 9 ILE QG . . 4.410 3.076 2.216 3.552 . 0 0 "[ . 1 . ]" 1
71 1 9 ILE H 1 9 ILE MG . . 4.460 3.718 3.615 3.780 . 0 0 "[ . 1 . ]" 1
72 1 9 ILE H 1 10 PRO HD2 . . 4.060 2.253 1.992 2.588 . 0 0 "[ . 1 . ]" 1
73 1 9 ILE H 1 10 PRO HD3 . . 3.890 3.244 2.920 3.559 . 0 0 "[ . 1 . ]" 1
74 1 9 ILE HA 1 9 ILE MD . . 3.220 2.660 2.049 3.213 . 0 0 "[ . 1 . ]" 1
75 1 9 ILE HA 1 9 ILE MG . . 3.200 2.585 2.392 2.765 . 0 0 "[ . 1 . ]" 1
76 1 9 ILE HA 1 11 GLN H . . 5.500 4.163 3.773 4.543 . 0 0 "[ . 1 . ]" 1
77 1 9 ILE HB 1 10 PRO HD2 . . 5.140 2.796 2.551 3.109 . 0 0 "[ . 1 . ]" 1
78 1 9 ILE HB 1 10 PRO HD3 . . 3.120 2.247 2.111 2.488 . 0 0 "[ . 1 . ]" 1
79 1 9 ILE MD 1 9 ILE MG . . 3.110 2.810 2.088 3.239 0.129 1 0 "[ . 1 . ]" 1
80 1 9 ILE MD 1 10 PRO HD2 . . 5.450 4.324 3.625 5.171 . 0 0 "[ . 1 . ]" 1
81 1 9 ILE MD 1 10 PRO HD3 . . 5.500 4.356 3.794 4.976 . 0 0 "[ . 1 . ]" 1
82 1 9 ILE QG 1 10 PRO HD2 . . 5.500 4.510 4.021 4.917 . 0 0 "[ . 1 . ]" 1
83 1 9 ILE QG 1 10 PRO HD3 . . 5.500 4.248 3.965 4.546 . 0 0 "[ . 1 . ]" 1
84 1 9 ILE MG 1 10 PRO HD2 . . 4.790 3.696 3.436 4.096 . 0 0 "[ . 1 . ]" 1
85 1 9 ILE MG 1 11 GLN H . . 5.500 4.650 4.463 4.853 . 0 0 "[ . 1 . ]" 1
86 1 10 PRO HA 1 13 VAL QG . . 4.500 2.601 2.015 3.994 . 0 0 "[ . 1 . ]" 1
87 1 10 PRO HB2 1 13 VAL QG . . 5.410 4.009 3.323 5.383 . 0 0 "[ . 1 . ]" 1
88 1 10 PRO HD2 1 11 GLN H . . 4.430 3.101 2.857 3.515 . 0 0 "[ . 1 . ]" 1
89 1 11 GLN H 1 11 GLN HB2 . . 4.120 2.320 2.096 2.695 . 0 0 "[ . 1 . ]" 1
90 1 11 GLN H 1 11 GLN HB3 . . 3.750 2.838 2.360 3.576 . 0 0 "[ . 1 . ]" 1
91 1 11 GLN H 1 11 GLN HG2 . . 4.930 4.498 3.706 4.687 . 0 0 "[ . 1 . ]" 1
92 1 11 GLN H 1 84 LEU QD . . 5.500 4.013 3.340 4.431 . 0 0 "[ . 1 . ]" 1
93 1 11 GLN HA 1 11 GLN HB2 . . 2.890 2.671 2.456 3.029 0.139 4 0 "[ . 1 . ]" 1
94 1 11 GLN HA 1 11 GLN HB3 . . 2.970 2.937 2.533 3.037 0.067 19 0 "[ . 1 . ]" 1
95 1 11 GLN HA 1 12 LEU HA . . 4.690 4.759 4.696 4.784 0.094 5 0 "[ . 1 . ]" 1
96 1 11 GLN HA 1 13 VAL H . . 5.400 4.211 3.829 4.728 . 0 0 "[ . 1 . ]" 1
97 1 11 GLN HA 1 13 VAL QG . . 5.500 4.574 3.310 5.243 . 0 0 "[ . 1 . ]" 1
98 1 11 GLN HB2 1 11 GLN HE22 . . 4.110 3.989 3.441 4.887 0.777 4 1 "[ +. 1 . ]" 1
99 1 11 GLN HB2 1 84 LEU QD . . 4.230 3.462 2.515 4.105 . 0 0 "[ . 1 . ]" 1
100 1 11 GLN HB3 1 11 GLN HE22 . . 5.500 5.091 4.688 5.310 . 0 0 "[ . 1 . ]" 1
101 1 11 GLN HB3 1 84 LEU QD . . 4.140 2.318 2.006 2.677 . 0 0 "[ . 1 . ]" 1
102 1 11 GLN HE21 1 86 SER QB . . 5.500 4.437 3.094 5.651 0.151 13 0 "[ . 1 . ]" 1
103 1 11 GLN HG2 1 86 SER HA . . 4.240 2.791 2.123 3.643 . 0 0 "[ . 1 . ]" 1
104 1 11 GLN HG2 1 86 SER QB . . 5.290 4.232 2.789 4.919 . 0 0 "[ . 1 . ]" 1
105 1 11 GLN HG3 1 86 SER HA . . 3.240 2.953 2.109 3.515 0.275 11 0 "[ . 1 . ]" 1
106 1 12 LEU H 1 12 LEU HB2 . . 3.580 2.537 2.252 2.783 . 0 0 "[ . 1 . ]" 1
107 1 12 LEU H 1 12 LEU HB3 . . 3.730 2.468 2.279 2.676 . 0 0 "[ . 1 . ]" 1
108 1 12 LEU H 1 12 LEU QD . . 4.670 3.735 3.563 3.860 . 0 0 "[ . 1 . ]" 1
109 1 12 LEU H 1 13 VAL H . . 3.990 2.701 2.498 3.121 . 0 0 "[ . 1 . ]" 1
110 1 12 LEU H 1 84 LEU QD . . 5.010 3.196 2.871 3.722 . 0 0 "[ . 1 . ]" 1
111 1 12 LEU HA 1 12 LEU QD . . 3.260 2.285 2.166 2.540 . 0 0 "[ . 1 . ]" 1
112 1 12 LEU HA 1 12 LEU HG . . 3.790 3.149 2.761 3.744 . 0 0 "[ . 1 . ]" 1
113 1 12 LEU HA 1 16 TRP HE1 . . 3.750 2.808 2.284 3.221 . 0 0 "[ . 1 . ]" 1
114 1 12 LEU HA 1 16 TRP HZ2 . . 3.150 3.029 2.526 3.231 0.081 17 0 "[ . 1 . ]" 1
115 1 12 LEU HA 1 84 LEU QD . . 3.670 2.352 2.131 2.858 . 0 0 "[ . 1 . ]" 1
116 1 12 LEU HB2 1 13 VAL H . . 4.710 3.943 3.778 4.359 . 0 0 "[ . 1 . ]" 1
117 1 12 LEU HB2 1 84 LEU QD . . 3.970 2.512 2.044 3.338 . 0 0 "[ . 1 . ]" 1
118 1 12 LEU HB3 1 12 LEU QD . . 3.190 2.206 2.116 2.308 . 0 0 "[ . 1 . ]" 1
119 1 12 LEU HB3 1 13 VAL H . . 3.940 2.663 2.401 3.182 . 0 0 "[ . 1 . ]" 1
120 1 12 LEU HB3 1 84 LEU QD . . 4.940 3.791 3.406 4.528 . 0 0 "[ . 1 . ]" 1
121 1 12 LEU QD 1 13 VAL H . . 5.500 3.748 2.731 4.175 . 0 0 "[ . 1 . ]" 1
122 1 12 LEU QD 1 13 VAL QG . . 4.930 3.506 2.246 4.321 . 0 0 "[ . 1 . ]" 1
123 1 12 LEU QD 1 16 TRP HE1 . . 4.340 3.195 2.555 3.800 . 0 0 "[ . 1 . ]" 1
124 1 12 LEU QD 1 16 TRP HZ2 . . 4.270 4.028 3.372 4.286 0.016 4 0 "[ . 1 . ]" 1
125 1 12 LEU QD 1 33 PHE H . . 5.500 4.554 3.502 5.079 . 0 0 "[ . 1 . ]" 1
126 1 12 LEU QD 1 33 PHE QB . . 4.370 2.584 1.715 3.359 . 0 0 "[ . 1 . ]" 1
127 1 12 LEU QD 1 33 PHE QD . . 3.280 2.693 2.243 2.982 . 0 0 "[ . 1 . ]" 1
128 1 12 LEU QD 1 59 ILE MD . . 3.490 2.489 1.846 3.575 0.085 13 0 "[ . 1 . ]" 1
129 1 12 LEU QD 1 59 ILE QG . . 4.550 3.649 2.945 4.361 . 0 0 "[ . 1 . ]" 1
130 1 12 LEU QD 1 66 ILE MD . . 3.150 2.578 2.125 3.154 0.004 8 0 "[ . 1 . ]" 1
131 1 12 LEU QD 1 81 ILE MD . . 4.420 3.794 3.107 4.339 . 0 0 "[ . 1 . ]" 1
132 1 12 LEU QD 1 84 LEU QD . . 3.830 2.230 1.887 2.782 . 0 0 "[ . 1 . ]" 1
133 1 12 LEU QD 1 91 TRP HE1 . . 5.500 4.215 3.702 5.428 . 0 0 "[ . 1 . ]" 1
134 1 12 LEU QD 1 91 TRP HH2 . . 4.120 2.703 2.010 3.745 . 0 0 "[ . 1 . ]" 1
135 1 12 LEU QD 1 91 TRP HZ2 . . 3.640 2.548 2.133 3.692 0.052 8 0 "[ . 1 . ]" 1
136 1 12 LEU HG 1 16 TRP HE1 . . 5.100 4.131 3.353 5.181 0.081 11 0 "[ . 1 . ]" 1
137 1 12 LEU HG 1 33 PHE QB . . 3.810 2.736 2.205 3.642 . 0 0 "[ . 1 . ]" 1
138 1 12 LEU HG 1 66 ILE MD . . 5.150 4.543 3.240 5.249 0.099 4 0 "[ . 1 . ]" 1
139 1 13 VAL H 1 13 VAL HB . . 2.880 2.467 2.233 2.707 . 0 0 "[ . 1 . ]" 1
140 1 13 VAL H 1 13 VAL QG . . 2.930 1.892 1.796 2.086 . 0 0 "[ . 1 . ]" 1
141 1 13 VAL H 1 14 GLY H . . 4.940 2.984 2.675 3.132 . 0 0 "[ . 1 . ]" 1
142 1 13 VAL H 1 14 GLY QA . . 5.500 4.808 4.583 4.940 . 0 0 "[ . 1 . ]" 1
143 1 13 VAL HA 1 13 VAL QG . . 3.080 2.225 2.105 2.450 . 0 0 "[ . 1 . ]" 1
144 1 13 VAL HA 1 14 GLY H . . 3.410 3.354 3.144 3.481 0.071 10 0 "[ . 1 . ]" 1
145 1 13 VAL HA 1 33 PHE QB . . 3.680 2.484 2.140 3.121 . 0 0 "[ . 1 . ]" 1
146 1 13 VAL HA 1 34 ASN H . . 5.500 4.437 3.694 5.173 . 0 0 "[ . 1 . ]" 1
147 1 13 VAL HB 1 14 GLY H . . 4.720 3.607 3.118 4.554 . 0 0 "[ . 1 . ]" 1
148 1 13 VAL QG 1 14 GLY H . . 3.900 3.475 2.773 3.692 . 0 0 "[ . 1 . ]" 1
149 1 13 VAL QG 1 14 GLY QA . . 4.980 3.723 3.268 4.008 . 0 0 "[ . 1 . ]" 1
150 1 13 VAL QG 1 34 ASN HA . . 3.430 2.481 2.034 3.285 . 0 0 "[ . 1 . ]" 1
151 1 13 VAL QG 1 35 ALA H . . 4.060 2.766 2.216 3.379 . 0 0 "[ . 1 . ]" 1
152 1 13 VAL QG 1 35 ALA HA . . 3.120 2.182 1.786 2.891 . 0 0 "[ . 1 . ]" 1
153 1 13 VAL QG 1 35 ALA MB . . 3.410 2.545 2.128 3.102 . 0 0 "[ . 1 . ]" 1
154 1 13 VAL QG 1 36 ASP H . . 5.450 4.301 3.782 4.839 . 0 0 "[ . 1 . ]" 1
155 1 14 GLY H 1 15 LYS H . . 4.870 4.444 4.094 4.582 . 0 0 "[ . 1 . ]" 1
156 1 14 GLY H 1 16 TRP HD1 . . 5.500 4.704 4.215 5.259 . 0 0 "[ . 1 . ]" 1
157 1 14 GLY H 1 16 TRP HE1 . . 5.480 3.104 2.699 3.958 . 0 0 "[ . 1 . ]" 1
158 1 14 GLY H 1 107 LYS HE2 . . 5.280 4.768 4.236 5.164 . 0 0 "[ . 1 . ]" 1
159 1 14 GLY QA 1 15 LYS H . . 3.010 2.192 2.084 2.294 . 0 0 "[ . 1 . ]" 1
160 1 14 GLY QA 1 15 LYS QE . . 4.430 3.797 2.719 4.271 . 0 0 "[ . 1 . ]" 1
161 1 14 GLY QA 1 15 LYS HG2 . . 5.500 4.471 3.260 5.248 . 0 0 "[ . 1 . ]" 1
162 1 14 GLY QA 1 15 LYS HG3 . . 4.950 3.774 2.943 4.655 . 0 0 "[ . 1 . ]" 1
163 1 14 GLY QA 1 16 TRP HD1 . . 5.440 4.321 4.054 4.683 . 0 0 "[ . 1 . ]" 1
164 1 14 GLY QA 1 16 TRP HE1 . . 5.500 3.606 3.073 4.497 . 0 0 "[ . 1 . ]" 1
165 1 14 GLY QA 1 32 THR MG . . 4.600 4.168 3.690 4.473 . 0 0 "[ . 1 . ]" 1
166 1 14 GLY QA 1 107 LYS HE2 . . 3.960 2.916 2.296 3.476 . 0 0 "[ . 1 . ]" 1
167 1 14 GLY QA 1 107 LYS HE3 . . 3.950 3.302 2.410 3.749 . 0 0 "[ . 1 . ]" 1
168 1 15 LYS H 1 15 LYS QB . . 3.210 2.506 2.266 2.884 . 0 0 "[ . 1 . ]" 1
169 1 15 LYS H 1 15 LYS HG2 . . 4.220 3.414 1.826 4.236 0.016 7 0 "[ . 1 . ]" 1
170 1 15 LYS H 1 15 LYS HG3 . . 5.250 2.766 2.332 2.994 . 0 0 "[ . 1 . ]" 1
171 1 15 LYS H 1 16 TRP H . . 4.950 4.552 4.401 4.653 . 0 0 "[ . 1 . ]" 1
172 1 15 LYS H 1 16 TRP HE1 . . 5.500 4.881 4.344 5.450 . 0 0 "[ . 1 . ]" 1
173 1 15 LYS H 1 32 THR MG . . 5.040 4.266 3.855 4.570 . 0 0 "[ . 1 . ]" 1
174 1 15 LYS H 1 107 LYS HE2 . . 4.310 3.048 2.366 3.962 . 0 0 "[ . 1 . ]" 1
175 1 15 LYS H 1 107 LYS HE3 . . 5.180 4.329 3.488 5.231 0.051 3 0 "[ . 1 . ]" 1
176 1 15 LYS H 1 107 LYS QG . . 5.300 4.112 3.454 4.491 . 0 0 "[ . 1 . ]" 1
177 1 15 LYS H 1 108 TYR H . . 5.140 4.690 4.082 5.180 0.040 19 0 "[ . 1 . ]" 1
178 1 15 LYS HA 1 16 TRP H . . 2.910 2.279 2.144 2.346 . 0 0 "[ . 1 . ]" 1
179 1 15 LYS HA 1 16 TRP HD1 . . 3.960 3.181 2.743 3.455 . 0 0 "[ . 1 . ]" 1
180 1 15 LYS HA 1 32 THR MG . . 4.190 2.658 2.278 3.130 . 0 0 "[ . 1 . ]" 1
181 1 15 LYS HA 1 33 PHE H . . 4.890 4.055 3.578 4.550 . 0 0 "[ . 1 . ]" 1
182 1 15 LYS QB 1 15 LYS HD2 . . 2.910 2.592 2.150 3.383 0.473 13 0 "[ . 1 . ]" 1
183 1 15 LYS QB 1 15 LYS HG2 . . 2.770 2.294 2.162 2.500 . 0 0 "[ . 1 . ]" 1
184 1 15 LYS QB 1 16 TRP H . . 4.210 2.908 2.620 3.166 . 0 0 "[ . 1 . ]" 1
185 1 15 LYS QB 1 16 TRP HD1 . . 4.850 4.847 4.575 4.962 0.112 13 0 "[ . 1 . ]" 1
186 1 15 LYS QB 1 32 THR HA . . 4.670 4.233 3.587 4.760 0.090 1 0 "[ . 1 . ]" 1
187 1 15 LYS QB 1 32 THR MG . . 4.530 3.299 2.205 3.862 . 0 0 "[ . 1 . ]" 1
188 1 15 LYS QB 1 108 TYR H . . 5.060 3.940 3.278 4.542 . 0 0 "[ . 1 . ]" 1
189 1 15 LYS QB 1 108 TYR HB2 . . 3.320 2.250 2.002 2.793 . 0 0 "[ . 1 . ]" 1
190 1 15 LYS QB 1 108 TYR HB3 . . 3.640 2.705 2.046 3.530 . 0 0 "[ . 1 . ]" 1
191 1 15 LYS HD2 1 32 THR MG . . 5.500 4.874 3.757 6.460 0.960 19 2 "[ . 1 -. +]" 1
192 1 15 LYS HD2 1 108 TYR QD . . 3.670 3.268 2.361 4.382 0.712 10 1 "[ . + . ]" 1
193 1 15 LYS HG2 1 16 TRP H . . 4.600 4.637 4.096 5.150 0.550 12 3 "[ . 1 +*-. ]" 1
194 1 15 LYS HG3 1 16 TRP H . . 5.170 4.773 4.300 5.219 0.049 9 0 "[ . 1 . ]" 1
195 1 16 TRP H 1 16 TRP HB2 . . 3.530 2.627 2.373 2.833 . 0 0 "[ . 1 . ]" 1
196 1 16 TRP H 1 16 TRP QB . . 3.870 2.578 2.341 2.765 . 0 0 "[ . 1 . ]" 1
197 1 16 TRP H 1 16 TRP HD1 . . 3.700 3.303 3.046 3.767 0.067 13 0 "[ . 1 . ]" 1
198 1 16 TRP H 1 17 ILE H . . 4.440 4.272 4.055 4.489 0.049 2 0 "[ . 1 . ]" 1
199 1 16 TRP H 1 30 CYS HA . . 4.830 4.403 3.840 4.820 . 0 0 "[ . 1 . ]" 1
200 1 16 TRP H 1 31 TYR H . . 4.080 3.382 2.869 4.069 . 0 0 "[ . 1 . ]" 1
201 1 16 TRP H 1 32 THR HA . . 4.670 3.557 3.146 3.989 . 0 0 "[ . 1 . ]" 1
202 1 16 TRP H 1 105 LEU QD . . 5.500 4.487 4.108 4.943 . 0 0 "[ . 1 . ]" 1
203 1 16 TRP HA 1 16 TRP HE3 . . 3.840 3.160 2.611 3.472 . 0 0 "[ . 1 . ]" 1
204 1 16 TRP HA 1 17 ILE H . . 2.880 2.273 2.190 2.390 . 0 0 "[ . 1 . ]" 1
205 1 16 TRP HA 1 107 LYS HA . . 3.140 2.447 2.166 2.931 . 0 0 "[ . 1 . ]" 1
206 1 16 TRP HA 1 108 TYR H . . 3.780 3.523 2.837 3.858 0.078 10 0 "[ . 1 . ]" 1
207 1 16 TRP HA 1 108 TYR HB2 . . 4.950 3.465 2.436 4.455 . 0 0 "[ . 1 . ]" 1
208 1 16 TRP QB 1 16 TRP HD1 . . 3.460 2.625 2.457 2.872 . 0 0 "[ . 1 . ]" 1
209 1 16 TRP QB 1 16 TRP HE3 . . 3.180 2.561 2.422 2.750 . 0 0 "[ . 1 . ]" 1
210 1 16 TRP QB 1 17 ILE HA . . 5.060 4.396 4.089 4.697 . 0 0 "[ . 1 . ]" 1
211 1 16 TRP QB 1 31 TYR HB2 . . 4.190 2.574 2.273 3.074 . 0 0 "[ . 1 . ]" 1
212 1 16 TRP QB 1 31 TYR HB3 . . 4.280 3.674 3.129 4.334 0.054 5 0 "[ . 1 . ]" 1
213 1 16 TRP QB 1 31 TYR QD . . 4.270 4.108 3.664 4.373 0.103 12 0 "[ . 1 . ]" 1
214 1 16 TRP QB 1 32 THR MG . . 5.500 5.570 5.347 5.634 0.134 15 0 "[ . 1 . ]" 1
215 1 16 TRP QB 1 89 MET ME . . 3.980 2.907 2.538 3.425 . 0 0 "[ . 1 . ]" 1
216 1 16 TRP QB 1 105 LEU HB2 . . 3.600 3.352 2.781 3.958 0.358 16 0 "[ . 1 . ]" 1
217 1 16 TRP QB 1 105 LEU HB3 . . 3.980 2.273 2.110 2.464 . 0 0 "[ . 1 . ]" 1
218 1 16 TRP QB 1 105 LEU QD . . 3.330 2.097 1.915 2.329 . 0 0 "[ . 1 . ]" 1
219 1 16 TRP QB 1 107 LYS HA . . 5.370 3.904 3.395 4.363 . 0 0 "[ . 1 . ]" 1
220 1 16 TRP QB 1 107 LYS HE3 . . 5.380 5.468 5.408 5.488 0.108 3 0 "[ . 1 . ]" 1
221 1 16 TRP HB2 1 31 TYR H . . 4.340 3.380 2.866 4.170 . 0 0 "[ . 1 . ]" 1
222 1 16 TRP HB3 1 17 ILE H . . 4.060 3.470 2.925 4.094 0.034 13 0 "[ . 1 . ]" 1
223 1 16 TRP HB3 1 106 GLU H . . 5.100 4.923 4.635 5.176 0.076 15 0 "[ . 1 . ]" 1
224 1 16 TRP HD1 1 32 THR MG . . 5.110 4.652 4.371 4.992 . 0 0 "[ . 1 . ]" 1
225 1 16 TRP HD1 1 33 PHE H . . 3.950 3.596 2.836 4.028 0.078 10 0 "[ . 1 . ]" 1
226 1 16 TRP HD1 1 33 PHE QD . . 2.920 2.660 2.158 3.066 0.146 13 0 "[ . 1 . ]" 1
227 1 16 TRP HD1 1 89 MET ME . . 4.810 4.142 3.573 4.905 0.095 17 0 "[ . 1 . ]" 1
228 1 16 TRP HD1 1 105 LEU QD . . 5.500 4.747 4.224 5.415 . 0 0 "[ . 1 . ]" 1
229 1 16 TRP HD1 1 107 LYS HE2 . . 5.030 4.946 4.599 5.125 0.095 13 0 "[ . 1 . ]" 1
230 1 16 TRP HE1 1 33 PHE H . . 5.500 4.778 4.100 5.569 0.069 13 0 "[ . 1 . ]" 1
231 1 16 TRP HE1 1 33 PHE QB . . 5.500 4.492 3.829 5.152 . 0 0 "[ . 1 . ]" 1
232 1 16 TRP HE1 1 33 PHE QD . . 3.630 3.316 2.847 3.707 0.077 16 0 "[ . 1 . ]" 1
233 1 16 TRP HE1 1 84 LEU QD . . 5.500 3.870 3.499 4.263 . 0 0 "[ . 1 . ]" 1
234 1 16 TRP HE1 1 89 MET ME . . 4.910 4.386 3.624 4.970 0.060 14 0 "[ . 1 . ]" 1
235 1 16 TRP HE1 1 107 LYS HE2 . . 5.500 4.388 3.910 4.735 . 0 0 "[ . 1 . ]" 1
236 1 16 TRP HE1 1 107 LYS HE3 . . 4.980 3.643 3.095 4.081 . 0 0 "[ . 1 . ]" 1
237 1 16 TRP HE3 1 17 ILE H . . 4.400 4.110 3.704 4.447 0.047 14 0 "[ . 1 . ]" 1
238 1 16 TRP HE3 1 89 MET H . . 4.920 4.443 3.969 4.841 . 0 0 "[ . 1 . ]" 1
239 1 16 TRP HE3 1 89 MET HB3 . . 4.490 3.284 3.010 3.546 . 0 0 "[ . 1 . ]" 1
240 1 16 TRP HE3 1 89 MET ME . . 3.740 3.448 2.934 3.821 0.081 10 0 "[ . 1 . ]" 1
241 1 16 TRP HE3 1 105 LEU H . . 5.500 4.913 4.670 5.154 . 0 0 "[ . 1 . ]" 1
242 1 16 TRP HE3 1 105 LEU HA . . 4.170 4.214 4.055 4.265 0.095 15 0 "[ . 1 . ]" 1
243 1 16 TRP HE3 1 105 LEU HB2 . . 3.360 2.875 2.496 3.328 . 0 0 "[ . 1 . ]" 1
244 1 16 TRP HE3 1 105 LEU HB3 . . 3.260 2.267 2.100 2.485 . 0 0 "[ . 1 . ]" 1
245 1 16 TRP HE3 1 105 LEU QD . . 4.330 3.609 3.350 3.849 . 0 0 "[ . 1 . ]" 1
246 1 16 TRP HE3 1 106 GLU H . . 4.390 3.941 3.422 4.217 . 0 0 "[ . 1 . ]" 1
247 1 16 TRP HE3 1 106 GLU HA . . 4.060 3.921 3.569 4.138 0.078 10 0 "[ . 1 . ]" 1
248 1 16 TRP HE3 1 107 LYS H . . 4.180 2.136 1.831 3.934 . 0 0 "[ . 1 . ]" 1
249 1 16 TRP HE3 1 107 LYS HA . . 4.010 2.893 2.693 3.282 . 0 0 "[ . 1 . ]" 1
250 1 16 TRP HE3 1 108 TYR H . . 5.500 5.486 5.045 5.585 0.085 15 0 "[ . 1 . ]" 1
251 1 16 TRP HH2 1 84 LEU HA . . 5.200 4.229 3.872 4.876 . 0 0 "[ . 1 . ]" 1
252 1 16 TRP HH2 1 84 LEU QD . . 3.220 2.348 2.120 2.848 . 0 0 "[ . 1 . ]" 1
253 1 16 TRP HH2 1 85 THR H . . 4.510 3.087 2.695 3.715 . 0 0 "[ . 1 . ]" 1
254 1 16 TRP HH2 1 88 GLU H . . 4.540 3.226 2.400 4.098 . 0 0 "[ . 1 . ]" 1
255 1 16 TRP HH2 1 88 GLU HA . . 4.810 4.596 4.119 4.883 0.073 14 0 "[ . 1 . ]" 1
256 1 16 TRP HH2 1 89 MET H . . 4.620 4.662 4.385 4.704 0.084 2 0 "[ . 1 . ]" 1
257 1 16 TRP HH2 1 89 MET ME . . 5.290 5.034 4.236 5.372 0.082 12 0 "[ . 1 . ]" 1
258 1 16 TRP HH2 1 107 LYS HE2 . . 5.280 5.286 4.922 5.362 0.082 2 0 "[ . 1 . ]" 1
259 1 16 TRP HH2 1 107 LYS HE3 . . 4.270 3.772 3.429 4.000 . 0 0 "[ . 1 . ]" 1
260 1 16 TRP HZ2 1 84 LEU QD . . 3.120 2.173 1.991 2.560 . 0 0 "[ . 1 . ]" 1
261 1 16 TRP HZ2 1 89 MET ME . . 5.500 4.826 4.079 5.302 . 0 0 "[ . 1 . ]" 1
262 1 16 TRP HZ2 1 107 LYS QD . . 5.020 3.754 3.204 4.427 . 0 0 "[ . 1 . ]" 1
263 1 16 TRP HZ2 1 107 LYS HE2 . . 5.500 4.446 4.190 4.742 . 0 0 "[ . 1 . ]" 1
264 1 16 TRP HZ2 1 107 LYS HE3 . . 4.120 2.834 2.545 3.139 . 0 0 "[ . 1 . ]" 1
265 1 16 TRP HZ3 1 84 LEU QD . . 4.310 4.070 3.599 4.290 . 0 0 "[ . 1 . ]" 1
266 1 16 TRP HZ3 1 87 LYS HA . . 4.870 3.744 3.119 4.291 . 0 0 "[ . 1 . ]" 1
267 1 16 TRP HZ3 1 88 GLU H . . 4.250 3.599 2.956 4.295 0.045 8 0 "[ . 1 . ]" 1
268 1 16 TRP HZ3 1 88 GLU HA . . 3.330 3.135 2.496 3.393 0.063 8 0 "[ . 1 . ]" 1
269 1 16 TRP HZ3 1 89 MET H . . 3.640 3.036 2.700 3.353 . 0 0 "[ . 1 . ]" 1
270 1 16 TRP HZ3 1 105 LEU H . . 5.500 5.378 5.061 5.570 0.070 12 0 "[ . 1 . ]" 1
271 1 16 TRP HZ3 1 106 GLU H . . 5.500 5.053 4.343 5.549 0.049 14 0 "[ . 1 . ]" 1
272 1 16 TRP HZ3 1 106 GLU HA . . 3.990 3.385 2.816 4.065 0.075 3 0 "[ . 1 . ]" 1
273 1 16 TRP HZ3 1 107 LYS H . . 3.700 2.673 2.067 3.503 . 0 0 "[ . 1 . ]" 1
274 1 16 TRP HZ3 1 107 LYS HA . . 5.500 3.928 3.680 4.363 . 0 0 "[ . 1 . ]" 1
275 1 16 TRP HZ3 1 107 LYS QB . . 4.960 4.053 3.704 4.683 . 0 0 "[ . 1 . ]" 1
276 1 16 TRP HZ3 1 107 LYS QG . . 5.340 5.192 4.866 5.430 0.090 13 0 "[ . 1 . ]" 1
277 1 17 ILE H 1 17 ILE HB . . 3.280 2.550 2.247 2.822 . 0 0 "[ . 1 . ]" 1
278 1 17 ILE H 1 17 ILE MD . . 5.150 4.162 3.718 4.610 . 0 0 "[ . 1 . ]" 1
279 1 17 ILE H 1 17 ILE HG13 . . 4.500 4.467 4.357 4.545 0.045 2 0 "[ . 1 . ]" 1
280 1 17 ILE H 1 17 ILE MG . . 3.510 2.295 2.150 2.434 . 0 0 "[ . 1 . ]" 1
281 1 17 ILE H 1 18 VAL HA . . 5.500 5.140 4.762 5.385 . 0 0 "[ . 1 . ]" 1
282 1 17 ILE H 1 19 LYS H . . 5.040 4.753 4.475 5.124 0.084 15 0 "[ . 1 . ]" 1
283 1 17 ILE H 1 105 LEU HA . . 5.330 4.618 4.308 5.004 . 0 0 "[ . 1 . ]" 1
284 1 17 ILE H 1 105 LEU QD . . 5.500 3.714 3.153 4.345 . 0 0 "[ . 1 . ]" 1
285 1 17 ILE H 1 106 GLU H . . 3.720 3.772 3.602 3.812 0.092 1 0 "[ . 1 . ]" 1
286 1 17 ILE H 1 107 LYS HA . . 4.090 3.681 3.442 4.064 . 0 0 "[ . 1 . ]" 1
287 1 17 ILE H 1 108 TYR H . . 4.430 4.247 3.572 4.507 0.077 15 0 "[ . 1 . ]" 1
288 1 17 ILE H 1 108 TYR QD . . 4.020 3.756 3.174 4.110 0.090 17 0 "[ . 1 . ]" 1
289 1 17 ILE HA 1 17 ILE MD . . 4.170 2.733 2.232 3.678 . 0 0 "[ . 1 . ]" 1
290 1 17 ILE HA 1 17 ILE HG12 . . 3.930 3.446 2.775 3.738 . 0 0 "[ . 1 . ]" 1
291 1 17 ILE HA 1 17 ILE MG . . 3.390 3.267 3.234 3.295 . 0 0 "[ . 1 . ]" 1
292 1 17 ILE HA 1 18 VAL H . . 2.820 2.246 2.163 2.382 . 0 0 "[ . 1 . ]" 1
293 1 17 ILE HA 1 30 CYS HA . . 3.120 2.346 2.044 2.730 . 0 0 "[ . 1 . ]" 1
294 1 17 ILE HA 1 31 TYR H . . 4.330 3.567 3.135 3.984 . 0 0 "[ . 1 . ]" 1
295 1 17 ILE HB 1 17 ILE MD . . 3.590 2.207 2.092 2.400 . 0 0 "[ . 1 . ]" 1
296 1 17 ILE HB 1 18 VAL H . . 5.100 4.334 4.204 4.476 . 0 0 "[ . 1 . ]" 1
297 1 17 ILE HB 1 30 CYS HA . . 5.050 4.509 3.998 5.104 0.054 6 0 "[ . 1 . ]" 1
298 1 17 ILE HB 1 108 TYR HB2 . . 4.780 4.132 3.312 4.860 0.080 3 0 "[ . 1 . ]" 1
299 1 17 ILE HB 1 108 TYR QD . . 3.880 2.529 2.046 3.472 . 0 0 "[ . 1 . ]" 1
300 1 17 ILE MD 1 17 ILE MG . . 2.890 2.762 2.145 3.037 0.147 9 0 "[ . 1 . ]" 1
301 1 17 ILE MD 1 18 VAL H . . 5.130 3.770 3.296 4.482 . 0 0 "[ . 1 . ]" 1
302 1 17 ILE MD 1 30 CYS H . . 5.500 4.920 3.937 5.605 0.105 5 0 "[ . 1 . ]" 1
303 1 17 ILE MD 1 30 CYS HA . . 4.840 3.546 2.411 4.851 0.011 10 0 "[ . 1 . ]" 1
304 1 17 ILE MD 1 30 CYS HB2 . . 4.860 4.169 3.479 5.282 0.422 18 0 "[ . 1 . ]" 1
305 1 17 ILE MD 1 30 CYS HB3 . . 5.280 3.205 2.170 4.951 . 0 0 "[ . 1 . ]" 1
306 1 17 ILE MD 1 108 TYR HA . . 5.000 3.494 2.828 3.919 . 0 0 "[ . 1 . ]" 1
307 1 17 ILE MD 1 108 TYR QD . . 3.440 2.664 2.169 3.543 0.103 10 0 "[ . 1 . ]" 1
308 1 17 ILE MD 1 108 TYR QE . . 4.160 2.509 2.095 3.354 . 0 0 "[ . 1 . ]" 1
309 1 17 ILE HG12 1 17 ILE MG . . 3.150 2.215 2.107 2.457 . 0 0 "[ . 1 . ]" 1
310 1 17 ILE HG12 1 18 VAL H . . 4.410 3.748 2.549 4.484 0.074 15 0 "[ . 1 . ]" 1
311 1 17 ILE HG13 1 17 ILE MG . . 3.710 2.856 2.598 3.267 . 0 0 "[ . 1 . ]" 1
312 1 17 ILE HG13 1 18 VAL H . . 4.360 2.651 2.239 3.243 . 0 0 "[ . 1 . ]" 1
313 1 17 ILE MG 1 18 VAL H . . 3.650 3.690 3.535 3.746 0.096 4 0 "[ . 1 . ]" 1
314 1 17 ILE MG 1 106 GLU QB . . 4.830 3.645 2.449 4.395 . 0 0 "[ . 1 . ]" 1
315 1 17 ILE MG 1 107 LYS H . . 5.500 4.367 3.926 4.648 . 0 0 "[ . 1 . ]" 1
316 1 17 ILE MG 1 107 LYS HA . . 4.650 4.698 4.472 4.771 0.121 1 0 "[ . 1 . ]" 1
317 1 17 ILE MG 1 108 TYR HA . . 5.500 3.127 2.533 3.521 . 0 0 "[ . 1 . ]" 1
318 1 17 ILE MG 1 109 ASN H . . 5.350 2.556 1.972 3.357 . 0 0 "[ . 1 . ]" 1
319 1 17 ILE MG 1 109 ASN HA . . 4.840 4.561 2.910 4.932 0.092 8 0 "[ . 1 . ]" 1
320 1 18 VAL H 1 18 VAL HB . . 3.230 2.604 2.260 3.132 . 0 0 "[ . 1 . ]" 1
321 1 18 VAL H 1 19 LYS H . . 5.130 2.679 2.125 3.134 . 0 0 "[ . 1 . ]" 1
322 1 18 VAL H 1 29 THR H . . 4.970 3.455 2.897 4.032 . 0 0 "[ . 1 . ]" 1
323 1 18 VAL H 1 29 THR HB . . 4.440 3.687 3.104 4.386 . 0 0 "[ . 1 . ]" 1
324 1 18 VAL H 1 30 CYS HA . . 3.890 3.252 2.527 3.966 0.076 18 0 "[ . 1 . ]" 1
325 1 18 VAL H 1 31 TYR QD . . 5.500 4.568 3.372 5.550 0.050 9 0 "[ . 1 . ]" 1
326 1 18 VAL H 1 105 LEU QD . . 5.500 3.598 3.022 4.436 . 0 0 "[ . 1 . ]" 1
327 1 18 VAL HA 1 19 LYS H . . 3.210 3.030 2.266 3.285 0.075 17 0 "[ . 1 . ]" 1
328 1 18 VAL HA 1 19 LYS HA . . 4.640 4.693 4.420 4.731 0.091 19 0 "[ . 1 . ]" 1
329 1 18 VAL HA 1 20 GLU H . . 4.180 3.538 2.988 4.105 . 0 0 "[ . 1 . ]" 1
330 1 18 VAL HA 1 105 LEU H . . 5.500 5.167 4.809 5.547 0.047 8 0 "[ . 1 . ]" 1
331 1 18 VAL HA 1 105 LEU HA . . 3.220 3.184 2.865 3.307 0.087 10 0 "[ . 1 . ]" 1
332 1 18 VAL HA 1 105 LEU QD . . 4.770 2.443 1.818 3.501 . 0 0 "[ . 1 . ]" 1
333 1 18 VAL HA 1 105 LEU HG . . 4.260 3.361 2.043 4.369 0.109 12 0 "[ . 1 . ]" 1
334 1 18 VAL HA 1 106 GLU H . . 4.770 4.627 4.095 4.851 0.081 1 0 "[ . 1 . ]" 1
335 1 18 VAL HB 1 19 LYS H . . 5.500 3.981 3.294 4.441 . 0 0 "[ . 1 . ]" 1
336 1 18 VAL HB 1 29 THR H . . 4.260 3.565 2.576 4.337 0.077 19 0 "[ . 1 . ]" 1
337 1 18 VAL HB 1 29 THR HB . . 3.280 2.478 1.935 3.374 0.094 15 0 "[ . 1 . ]" 1
338 1 18 VAL HB 1 103 LYS HE3 . . 5.500 5.065 4.112 6.394 0.894 6 1 "[ .+ 1 . ]" 1
339 1 18 VAL QG 1 19 LYS H . . 4.200 3.633 3.101 3.833 . 0 0 "[ . 1 . ]" 1
340 1 18 VAL QG 1 20 GLU H . . 3.660 3.610 3.449 3.711 0.051 17 0 "[ . 1 . ]" 1
341 1 18 VAL QG 1 29 THR HB . . 3.030 2.216 1.913 3.137 0.107 15 0 "[ . 1 . ]" 1
342 1 18 VAL QG 1 103 LYS H . . 5.500 5.015 4.631 5.326 . 0 0 "[ . 1 . ]" 1
343 1 18 VAL QG 1 103 LYS HB2 . . 4.860 3.667 2.772 4.223 . 0 0 "[ . 1 . ]" 1
344 1 18 VAL QG 1 103 LYS HB3 . . 4.140 3.828 3.046 4.364 0.224 18 0 "[ . 1 . ]" 1
345 1 18 VAL QG 1 103 LYS HD2 . . 3.850 2.882 2.216 3.880 0.030 15 0 "[ . 1 . ]" 1
346 1 18 VAL QG 1 103 LYS HE2 . . 4.300 2.474 1.853 3.345 . 0 0 "[ . 1 . ]" 1
347 1 18 VAL QG 1 103 LYS HE3 . . 4.400 2.398 1.803 3.327 . 0 0 "[ . 1 . ]" 1
348 1 18 VAL QG 1 103 LYS HG2 . . 4.360 3.242 2.869 3.590 . 0 0 "[ . 1 . ]" 1
349 1 18 VAL QG 1 103 LYS HG3 . . 4.530 2.153 2.004 2.535 . 0 0 "[ . 1 . ]" 1
350 1 19 LYS H 1 19 LYS HB2 . . 3.570 2.794 2.183 3.796 0.226 18 0 "[ . 1 . ]" 1
351 1 19 LYS H 1 19 LYS HB3 . . 3.990 2.657 2.423 3.021 . 0 0 "[ . 1 . ]" 1
352 1 19 LYS H 1 19 LYS HG2 . . 4.680 4.313 2.665 4.680 . 0 0 "[ . 1 . ]" 1
353 1 19 LYS H 1 20 GLU H . . 3.460 3.193 2.572 3.524 0.064 1 0 "[ . 1 . ]" 1
354 1 19 LYS H 1 29 THR H . . 5.020 4.754 4.108 5.131 0.111 15 0 "[ . 1 . ]" 1
355 1 19 LYS H 1 105 LEU QD . . 5.500 4.387 3.685 4.970 . 0 0 "[ . 1 . ]" 1
356 1 19 LYS HA 1 19 LYS HB3 . . 2.980 2.966 2.515 3.067 0.087 10 0 "[ . 1 . ]" 1
357 1 19 LYS HB3 1 19 LYS QE . . 4.250 3.478 2.348 4.332 0.082 9 0 "[ . 1 . ]" 1
358 1 19 LYS HB3 1 22 VAL QG . . 5.210 4.049 3.637 4.516 . 0 0 "[ . 1 . ]" 1
359 1 19 LYS HG2 1 20 GLU HB2 . . 5.090 5.241 5.148 5.740 0.650 12 1 "[ . 1 + . ]" 1
360 1 19 LYS HG3 1 22 VAL QG . . 4.840 2.454 1.934 3.928 . 0 0 "[ . 1 . ]" 1
361 1 20 GLU H 1 20 GLU HB2 . . 4.090 2.856 2.546 3.121 . 0 0 "[ . 1 . ]" 1
362 1 20 GLU H 1 20 GLU HB3 . . 3.850 3.594 3.414 3.744 . 0 0 "[ . 1 . ]" 1
363 1 20 GLU H 1 20 GLU QG . . 5.110 4.028 3.573 4.251 . 0 0 "[ . 1 . ]" 1
364 1 20 GLU H 1 22 VAL H . . 5.500 4.906 4.413 5.303 . 0 0 "[ . 1 . ]" 1
365 1 20 GLU HA 1 20 GLU QG . . 3.610 2.339 2.052 2.656 . 0 0 "[ . 1 . ]" 1
366 1 20 GLU HA 1 21 PRO HA . . 2.840 2.053 1.963 2.155 . 0 0 "[ . 1 . ]" 1
367 1 20 GLU HA 1 21 PRO HB2 . . 5.030 4.641 4.506 4.742 . 0 0 "[ . 1 . ]" 1
368 1 20 GLU HA 1 21 PRO HB3 . . 5.130 4.249 4.066 4.427 . 0 0 "[ . 1 . ]" 1
369 1 20 GLU HA 1 22 VAL H . . 3.580 3.458 2.981 3.650 0.070 3 0 "[ . 1 . ]" 1
370 1 20 GLU HA 1 22 VAL QG . . 3.820 3.575 3.198 3.807 . 0 0 "[ . 1 . ]" 1
371 1 20 GLU HB3 1 21 PRO HA . . 4.300 4.320 4.049 4.390 0.090 16 0 "[ . 1 . ]" 1
372 1 20 GLU QG 1 21 PRO HA . . 4.460 3.934 3.436 4.351 . 0 0 "[ . 1 . ]" 1
373 1 20 GLU QG 1 22 VAL QG . . 4.200 4.004 3.723 4.117 . 0 0 "[ . 1 . ]" 1
374 1 21 PRO HA 1 22 VAL H . . 2.790 2.357 2.179 2.482 . 0 0 "[ . 1 . ]" 1
375 1 21 PRO HA 1 22 VAL QG . . 3.950 3.466 3.199 3.678 . 0 0 "[ . 1 . ]" 1
376 1 21 PRO HB2 1 22 VAL H . . 3.630 2.931 2.549 3.580 . 0 0 "[ . 1 . ]" 1
377 1 21 PRO HB2 1 23 LEU QD . . 5.500 4.878 3.808 5.481 . 0 0 "[ . 1 . ]" 1
378 1 21 PRO HB3 1 22 VAL H . . 3.510 3.458 2.834 3.596 0.086 9 0 "[ . 1 . ]" 1
379 1 21 PRO HD2 1 103 LYS HA . . 4.050 2.819 2.105 3.950 . 0 0 "[ . 1 . ]" 1
380 1 21 PRO HD2 1 103 LYS HB2 . . 4.680 2.140 2.019 2.337 . 0 0 "[ . 1 . ]" 1
381 1 21 PRO HD2 1 103 LYS HG2 . . 4.630 4.664 4.439 4.718 0.088 16 0 "[ . 1 . ]" 1
382 1 21 PRO HD2 1 103 LYS HG3 . . 4.510 4.162 3.669 4.570 0.060 11 0 "[ . 1 . ]" 1
383 1 21 PRO HD2 1 104 ARG H . . 5.500 2.967 2.028 3.832 . 0 0 "[ . 1 . ]" 1
384 1 21 PRO HD3 1 103 LYS HA . . 3.660 3.381 2.832 3.738 0.078 5 0 "[ . 1 . ]" 1
385 1 21 PRO HD3 1 104 ARG H . . 4.940 3.201 2.536 3.932 . 0 0 "[ . 1 . ]" 1
386 1 21 PRO HG2 1 103 LYS HA . . 5.480 4.346 3.293 5.482 0.002 3 0 "[ . 1 . ]" 1
387 1 22 VAL H 1 22 VAL HB . . 2.950 2.718 2.438 3.033 0.083 1 0 "[ . 1 . ]" 1
388 1 22 VAL H 1 22 VAL QG . . 3.100 2.030 1.855 2.241 . 0 0 "[ . 1 . ]" 1
389 1 22 VAL H 1 23 LEU QD . . 5.500 5.110 4.560 5.432 . 0 0 "[ . 1 . ]" 1
390 1 22 VAL HA 1 22 VAL QG . . 3.050 2.243 2.117 2.501 . 0 0 "[ . 1 . ]" 1
391 1 22 VAL HA 1 23 LEU H . . 2.580 2.329 2.138 2.574 . 0 0 "[ . 1 . ]" 1
392 1 22 VAL HA 1 23 LEU HG . . 4.210 3.931 3.520 4.323 0.113 5 0 "[ . 1 . ]" 1
393 1 22 VAL HB 1 23 LEU H . . 3.930 3.679 3.235 3.982 0.052 7 0 "[ . 1 . ]" 1
394 1 22 VAL QG 1 23 LEU H . . 3.480 2.089 1.834 2.373 . 0 0 "[ . 1 . ]" 1
395 1 23 LEU H 1 23 LEU HB2 . . 3.380 2.538 2.241 2.844 . 0 0 "[ . 1 . ]" 1
396 1 23 LEU H 1 23 LEU HB3 . . 3.870 3.670 3.499 3.806 . 0 0 "[ . 1 . ]" 1
397 1 23 LEU H 1 23 LEU QD . . 4.020 2.979 1.893 3.500 . 0 0 "[ . 1 . ]" 1
398 1 23 LEU H 1 23 LEU HG . . 3.340 2.852 2.378 3.422 0.082 4 0 "[ . 1 . ]" 1
399 1 23 LEU H 1 24 GLN H . . 4.370 4.346 3.989 4.451 0.081 2 0 "[ . 1 . ]" 1
400 1 23 LEU HA 1 23 LEU HB3 . . 2.770 2.480 2.389 2.585 . 0 0 "[ . 1 . ]" 1
401 1 23 LEU HA 1 23 LEU QD . . 2.760 2.290 2.084 2.781 0.021 11 0 "[ . 1 . ]" 1
402 1 23 LEU HA 1 23 LEU HG . . 4.230 3.064 2.208 3.496 . 0 0 "[ . 1 . ]" 1
403 1 23 LEU HA 1 24 GLN H . . 2.780 2.515 2.178 2.859 0.079 15 0 "[ . 1 . ]" 1
404 1 23 LEU HA 1 24 GLN HB3 . . 5.500 5.287 4.418 5.976 0.476 11 0 "[ . 1 . ]" 1
405 1 23 LEU HB2 1 24 GLN H . . 3.880 3.137 2.500 3.743 . 0 0 "[ . 1 . ]" 1
406 1 23 LEU HB2 1 27 PHE H . . 4.500 3.578 2.917 4.232 . 0 0 "[ . 1 . ]" 1
407 1 23 LEU HB2 1 27 PHE HB2 . . 3.840 2.818 2.143 3.638 . 0 0 "[ . 1 . ]" 1
408 1 23 LEU HB2 1 27 PHE HB3 . . 4.060 3.572 2.894 4.111 0.051 14 0 "[ . 1 . ]" 1
409 1 23 LEU HB3 1 23 LEU QD . . 3.120 2.143 2.086 2.209 . 0 0 "[ . 1 . ]" 1
410 1 23 LEU HB3 1 24 GLN H . . 3.300 2.094 1.670 2.660 . 0 0 "[ . 1 . ]" 1
411 1 23 LEU HB3 1 24 GLN QG . . 5.430 4.295 3.225 5.162 . 0 0 "[ . 1 . ]" 1
412 1 23 LEU HB3 1 27 PHE H . . 5.060 4.347 3.919 5.094 0.034 12 0 "[ . 1 . ]" 1
413 1 23 LEU HB3 1 27 PHE HB2 . . 3.960 3.154 2.508 3.780 . 0 0 "[ . 1 . ]" 1
414 1 23 LEU HB3 1 27 PHE HB3 . . 4.270 4.103 3.488 4.348 0.078 17 0 "[ . 1 . ]" 1
415 1 23 LEU QD 1 24 GLN H . . 3.970 3.340 3.105 3.591 . 0 0 "[ . 1 . ]" 1
416 1 23 LEU QD 1 27 PHE H . . 5.500 4.314 3.868 4.720 . 0 0 "[ . 1 . ]" 1
417 1 23 LEU QD 1 27 PHE HB2 . . 3.950 2.859 2.318 3.363 . 0 0 "[ . 1 . ]" 1
418 1 23 LEU QD 1 27 PHE HB3 . . 3.500 2.507 2.104 2.821 . 0 0 "[ . 1 . ]" 1
419 1 23 LEU QD 1 27 PHE QD . . 4.600 3.726 2.421 4.371 . 0 0 "[ . 1 . ]" 1
420 1 24 GLN H 1 24 GLN HB2 . . 3.710 2.955 2.205 3.817 0.107 5 0 "[ . 1 . ]" 1
421 1 24 GLN H 1 24 GLN HB3 . . 3.110 3.347 2.681 3.765 0.655 11 3 "[ . 1+ -.* ]" 1
422 1 24 GLN H 1 24 GLN QG . . 3.370 2.682 2.133 3.460 0.090 11 0 "[ . 1 . ]" 1
423 1 24 GLN H 1 25 ASP H . . 4.690 4.466 4.321 4.604 . 0 0 "[ . 1 . ]" 1
424 1 24 GLN H 1 27 PHE HB2 . . 5.110 4.257 3.384 5.162 0.052 10 0 "[ . 1 . ]" 1
425 1 24 GLN HA 1 24 GLN HB2 . . 2.720 2.744 2.200 3.063 0.343 3 0 "[ . 1 . ]" 1
426 1 24 GLN HA 1 24 GLN HB3 . . 3.020 2.540 2.298 2.713 . 0 0 "[ . 1 . ]" 1
427 1 24 GLN HA 1 24 GLN HE22 . . 5.500 4.699 3.171 6.169 0.669 5 4 "[ +* 1 - * ]" 1
428 1 24 GLN HA 1 24 GLN QG . . 3.230 2.977 2.272 3.351 0.121 17 0 "[ . 1 . ]" 1
429 1 24 GLN HA 1 25 ASP H . . 2.630 2.502 2.307 2.678 0.048 18 0 "[ . 1 . ]" 1
430 1 24 GLN HB2 1 25 ASP H . . 3.610 2.983 1.998 3.728 0.118 7 0 "[ . 1 . ]" 1
431 1 24 GLN HB2 1 25 ASP QB . . 5.440 4.181 3.154 4.989 . 0 0 "[ . 1 . ]" 1
432 1 24 GLN HB2 1 26 ASP H . . 5.500 5.044 4.157 5.779 0.279 11 0 "[ . 1 . ]" 1
433 1 24 GLN HB3 1 25 ASP H . . 3.720 2.814 1.917 3.764 0.044 4 0 "[ . 1 . ]" 1
434 1 24 GLN HE21 1 25 ASP HA . . 5.300 4.675 3.589 5.366 0.066 9 0 "[ . 1 . ]" 1
435 1 24 GLN HE22 1 24 GLN QG . . 3.830 3.420 3.307 3.549 . 0 0 "[ . 1 . ]" 1
436 1 24 GLN HE22 1 25 ASP HA . . 5.480 5.365 4.632 5.559 0.079 16 0 "[ . 1 . ]" 1
437 1 24 GLN QG 1 25 ASP H . . 4.020 3.725 2.889 4.097 0.077 13 0 "[ . 1 . ]" 1
438 1 25 ASP H 1 25 ASP HA . . 2.710 2.191 2.129 2.266 . 0 0 "[ . 1 . ]" 1
439 1 25 ASP H 1 26 ASP H . . 3.810 3.128 2.321 3.901 0.091 9 0 "[ . 1 . ]" 1
440 1 25 ASP H 1 27 PHE H . . 5.500 4.748 4.410 5.243 . 0 0 "[ . 1 . ]" 1
441 1 25 ASP QB 1 26 ASP H . . 3.780 2.993 1.866 3.625 . 0 0 "[ . 1 . ]" 1
442 1 25 ASP QB 1 27 PHE QD . . 4.500 2.557 1.947 3.192 . 0 0 "[ . 1 . ]" 1
443 1 25 ASP QB 1 27 PHE QE . . 4.080 3.269 2.278 3.994 . 0 0 "[ . 1 . ]" 1
444 1 26 ASP H 1 26 ASP HA . . 2.720 2.447 2.218 2.810 0.090 7 0 "[ . 1 . ]" 1
445 1 26 ASP H 1 26 ASP QB . . 3.570 3.246 2.865 3.479 . 0 0 "[ . 1 . ]" 1
446 1 26 ASP H 1 27 PHE H . . 3.460 2.405 1.687 2.834 . 0 0 "[ . 1 . ]" 1
447 1 26 ASP QB 1 27 PHE H . . 4.820 3.882 3.602 4.101 . 0 0 "[ . 1 . ]" 1
448 1 27 PHE H 1 27 PHE HB2 . . 3.130 2.291 2.149 2.526 . 0 0 "[ . 1 . ]" 1
449 1 27 PHE H 1 27 PHE HB3 . . 3.530 3.515 3.429 3.603 0.073 11 0 "[ . 1 . ]" 1
450 1 27 PHE H 1 27 PHE QD . . 4.120 2.905 2.277 3.855 . 0 0 "[ . 1 . ]" 1
451 1 27 PHE H 1 28 VAL H . . 4.290 4.354 4.215 4.385 0.095 4 0 "[ . 1 . ]" 1
452 1 27 PHE H 1 28 VAL QG . . 5.500 4.423 3.850 5.331 . 0 0 "[ . 1 . ]" 1
453 1 27 PHE HA 1 27 PHE QD . . 3.890 2.628 2.220 3.014 . 0 0 "[ . 1 . ]" 1
454 1 27 PHE HA 1 27 PHE QE . . 4.430 4.400 4.279 4.516 0.086 4 0 "[ . 1 . ]" 1
455 1 27 PHE HA 1 28 VAL H . . 2.580 2.111 2.005 2.354 . 0 0 "[ . 1 . ]" 1
456 1 27 PHE HA 1 43 THR MG . . 4.900 3.885 2.248 4.562 . 0 0 "[ . 1 . ]" 1
457 1 27 PHE HA 1 44 GLY H . . 4.790 3.414 2.059 4.101 . 0 0 "[ . 1 . ]" 1
458 1 27 PHE HB2 1 28 VAL H . . 5.120 4.264 3.707 4.605 . 0 0 "[ . 1 . ]" 1
459 1 27 PHE HB2 1 43 THR MG . . 4.180 4.054 3.703 4.288 0.108 11 0 "[ . 1 . ]" 1
460 1 27 PHE HB2 1 44 GLY H . . 5.500 5.426 4.557 5.586 0.086 19 0 "[ . 1 . ]" 1
461 1 27 PHE HB3 1 28 VAL H . . 4.060 3.293 2.394 3.886 . 0 0 "[ . 1 . ]" 1
462 1 27 PHE HB3 1 43 THR MG . . 3.540 2.725 2.429 3.148 . 0 0 "[ . 1 . ]" 1
463 1 27 PHE HB3 1 44 GLY H . . 5.010 4.077 3.062 4.689 . 0 0 "[ . 1 . ]" 1
464 1 27 PHE QD 1 28 VAL H . . 4.310 3.717 2.775 4.395 0.085 15 0 "[ . 1 . ]" 1
465 1 27 PHE QD 1 43 THR MG . . 3.360 2.179 1.996 2.885 . 0 0 "[ . 1 . ]" 1
466 1 27 PHE QD 1 44 GLY H . . 5.500 2.934 2.256 4.332 . 0 0 "[ . 1 . ]" 1
467 1 27 PHE QD 1 44 GLY QA . . 3.550 2.661 2.282 3.567 0.017 1 0 "[ . 1 . ]" 1
468 1 27 PHE QE 1 43 THR MG . . 3.670 3.323 2.855 3.626 . 0 0 "[ . 1 . ]" 1
469 1 27 PHE QE 1 44 GLY QA . . 3.710 2.410 1.961 3.129 . 0 0 "[ . 1 . ]" 1
470 1 27 PHE HZ 1 43 THR MG . . 5.200 4.950 3.733 5.298 0.098 16 0 "[ . 1 . ]" 1
471 1 27 PHE HZ 1 44 GLY QA . . 4.230 3.868 2.945 4.166 . 0 0 "[ . 1 . ]" 1
472 1 28 VAL H 1 28 VAL HB . . 3.790 3.565 2.514 3.869 0.079 1 0 "[ . 1 . ]" 1
473 1 28 VAL H 1 28 VAL QG . . 3.560 2.370 1.943 2.953 . 0 0 "[ . 1 . ]" 1
474 1 28 VAL H 1 29 THR H . . 5.010 4.427 4.216 4.638 . 0 0 "[ . 1 . ]" 1
475 1 28 VAL H 1 43 THR HA . . 5.150 4.111 1.705 5.121 . 0 0 "[ . 1 . ]" 1
476 1 28 VAL H 1 43 THR MG . . 4.190 3.721 2.608 4.288 0.098 9 0 "[ . 1 . ]" 1
477 1 28 VAL H 1 44 GLY H . . 3.520 2.970 2.147 3.618 0.098 1 0 "[ . 1 . ]" 1
478 1 28 VAL H 1 44 GLY QA . . 5.430 3.753 2.521 5.137 . 0 0 "[ . 1 . ]" 1
479 1 28 VAL HA 1 28 VAL QG . . 3.210 2.263 2.117 2.435 . 0 0 "[ . 1 . ]" 1
480 1 28 VAL HA 1 29 THR H . . 2.720 2.398 2.185 2.801 0.081 15 0 "[ . 1 . ]" 1
481 1 28 VAL HA 1 29 THR HB . . 4.580 4.509 4.211 4.659 0.079 19 0 "[ . 1 . ]" 1
482 1 28 VAL HB 1 29 THR H . . 3.800 2.996 2.274 3.870 0.070 4 0 "[ . 1 . ]" 1
483 1 28 VAL QG 1 29 THR H . . 3.660 2.855 1.952 3.437 . 0 0 "[ . 1 . ]" 1
484 1 29 THR H 1 29 THR HB . . 3.350 2.879 2.637 3.207 . 0 0 "[ . 1 . ]" 1
485 1 29 THR H 1 30 CYS H . . 4.770 4.144 1.975 4.381 . 0 0 "[ . 1 . ]" 1
486 1 29 THR HA 1 29 THR MG . . 3.330 2.477 2.198 3.197 . 0 0 "[ . 1 . ]" 1
487 1 29 THR HA 1 30 CYS H . . 2.850 2.311 2.175 2.956 0.106 15 0 "[ . 1 . ]" 1
488 1 29 THR HB 1 30 CYS H . . 5.020 3.912 3.656 4.145 . 0 0 "[ . 1 . ]" 1
489 1 29 THR MG 1 30 CYS H . . 3.570 2.313 2.053 2.756 . 0 0 "[ . 1 . ]" 1
490 1 29 THR MG 1 30 CYS HB2 . . 5.080 4.734 3.255 5.099 0.019 12 0 "[ . 1 . ]" 1
491 1 29 THR MG 1 30 CYS HB3 . . 4.990 4.856 4.523 5.131 0.141 16 0 "[ . 1 . ]" 1
492 1 29 THR MG 1 31 TYR H . . 5.150 3.808 2.549 5.263 0.113 15 0 "[ . 1 . ]" 1
493 1 29 THR MG 1 41 VAL QG . . 3.290 2.227 1.856 3.443 0.153 15 0 "[ . 1 . ]" 1
494 1 29 THR MG 1 42 TYR H . . 4.400 2.351 1.641 4.076 . 0 0 "[ . 1 . ]" 1
495 1 29 THR MG 1 42 TYR QD . . 3.890 3.860 2.244 4.039 0.149 19 0 "[ . 1 . ]" 1
496 1 29 THR MG 1 43 THR H . . 5.500 4.617 3.029 5.225 . 0 0 "[ . 1 . ]" 1
497 1 30 CYS H 1 30 CYS HB2 . . 3.510 3.407 2.528 3.936 0.426 3 0 "[ . 1 . ]" 1
498 1 30 CYS H 1 31 TYR H . . 5.500 4.046 3.032 4.405 . 0 0 "[ . 1 . ]" 1
499 1 30 CYS H 1 41 VAL QG . . 4.400 3.866 2.020 4.405 0.005 18 0 "[ . 1 . ]" 1
500 1 30 CYS H 1 42 TYR H . . 3.750 3.417 2.951 3.791 0.041 18 0 "[ . 1 . ]" 1
501 1 30 CYS H 1 42 TYR QD . . 4.410 3.665 2.256 4.513 0.103 15 0 "[ . 1 . ]" 1
502 1 30 CYS HA 1 31 TYR H . . 2.830 2.298 2.072 2.589 . 0 0 "[ . 1 . ]" 1
503 1 30 CYS HA 1 31 TYR HA . . 4.650 4.537 4.291 4.723 0.073 7 0 "[ . 1 . ]" 1
504 1 30 CYS HA 1 31 TYR QD . . 4.780 4.110 3.256 4.906 0.126 15 0 "[ . 1 . ]" 1
505 1 30 CYS HB2 1 108 TYR QE . . 5.000 3.595 2.245 5.064 0.064 4 0 "[ . 1 . ]" 1
506 1 30 CYS HB3 1 31 TYR H . . 4.380 4.058 3.113 4.621 0.241 18 0 "[ . 1 . ]" 1
507 1 30 CYS HB3 1 108 TYR QE . . 3.570 2.751 2.076 3.690 0.120 3 0 "[ . 1 . ]" 1
508 1 31 TYR H 1 31 TYR HB2 . . 3.950 2.509 2.280 2.959 . 0 0 "[ . 1 . ]" 1
509 1 31 TYR H 1 31 TYR HB3 . . 3.870 3.650 3.528 3.893 0.023 2 0 "[ . 1 . ]" 1
510 1 31 TYR H 1 31 TYR QD . . 3.440 2.989 2.414 3.534 0.094 16 0 "[ . 1 . ]" 1
511 1 31 TYR H 1 41 VAL QG . . 5.500 4.407 3.147 5.251 . 0 0 "[ . 1 . ]" 1
512 1 31 TYR H 1 105 LEU QD . . 5.130 3.452 2.901 3.961 . 0 0 "[ . 1 . ]" 1
513 1 31 TYR HA 1 31 TYR QD . . 3.700 2.926 2.305 3.247 . 0 0 "[ . 1 . ]" 1
514 1 31 TYR HA 1 32 THR H . . 2.910 2.201 2.046 2.285 . 0 0 "[ . 1 . ]" 1
515 1 31 TYR HA 1 41 VAL H . . 5.300 5.179 4.837 5.366 0.066 14 0 "[ . 1 . ]" 1
516 1 31 TYR HA 1 41 VAL HB . . 4.590 3.854 3.364 4.459 . 0 0 "[ . 1 . ]" 1
517 1 31 TYR HA 1 41 VAL QG . . 4.600 2.906 1.841 3.919 . 0 0 "[ . 1 . ]" 1
518 1 31 TYR HA 1 42 TYR H . . 5.260 4.853 4.027 5.332 0.072 16 0 "[ . 1 . ]" 1
519 1 31 TYR HB2 1 32 THR H . . 4.540 4.328 3.994 4.598 0.058 19 0 "[ . 1 . ]" 1
520 1 31 TYR HB2 1 105 LEU QD . . 5.500 2.743 2.194 3.335 . 0 0 "[ . 1 . ]" 1
521 1 31 TYR HB3 1 32 THR H . . 5.120 3.370 2.802 3.888 . 0 0 "[ . 1 . ]" 1
522 1 31 TYR HB3 1 40 GLU H . . 5.460 5.132 4.566 5.526 0.066 18 0 "[ . 1 . ]" 1
523 1 31 TYR HB3 1 41 VAL HB . . 5.500 5.180 4.407 5.609 0.109 5 0 "[ . 1 . ]" 1
524 1 31 TYR HB3 1 105 LEU QD . . 4.750 3.977 3.258 4.661 . 0 0 "[ . 1 . ]" 1
525 1 31 TYR QD 1 41 VAL HB . . 3.560 3.402 2.774 3.706 0.146 5 0 "[ . 1 . ]" 1
526 1 31 TYR QD 1 41 VAL QG . . 3.420 2.702 1.781 3.391 . 0 0 "[ . 1 . ]" 1
527 1 31 TYR QD 1 68 LEU QD . . 4.120 3.286 2.630 4.016 . 0 0 "[ . 1 . ]" 1
528 1 31 TYR QD 1 105 LEU QD . . 3.130 2.596 1.999 3.167 0.037 12 0 "[ . 1 . ]" 1
529 1 31 TYR QE 1 41 VAL HB . . 3.620 3.522 2.844 3.722 0.102 3 0 "[ . 1 . ]" 1
530 1 31 TYR QE 1 41 VAL QG . . 3.110 2.571 2.055 3.065 . 0 0 "[ . 1 . ]" 1
531 1 31 TYR QE 1 68 LEU QD . . 3.360 2.929 2.188 3.420 0.060 16 0 "[ . 1 . ]" 1
532 1 31 TYR QE 1 103 LYS HE2 . . 5.110 4.050 2.240 5.147 0.037 10 0 "[ . 1 . ]" 1
533 1 31 TYR QE 1 103 LYS HE3 . . 4.420 4.098 3.181 5.171 0.751 19 1 "[ . 1 . +]" 1
534 1 32 THR H 1 32 THR HB . . 3.440 2.842 2.665 3.100 . 0 0 "[ . 1 . ]" 1
535 1 32 THR H 1 32 THR MG . . 4.310 3.909 3.735 4.024 . 0 0 "[ . 1 . ]" 1
536 1 32 THR H 1 39 TYR HA . . 5.500 4.945 4.573 5.507 0.007 19 0 "[ . 1 . ]" 1
537 1 32 THR H 1 39 TYR QB . . 5.300 4.194 3.638 4.768 . 0 0 "[ . 1 . ]" 1
538 1 32 THR H 1 40 GLU H . . 3.700 2.910 2.565 3.406 . 0 0 "[ . 1 . ]" 1
539 1 32 THR H 1 41 VAL HA . . 4.540 3.941 3.551 4.589 0.049 8 0 "[ . 1 . ]" 1
540 1 32 THR H 1 41 VAL QG . . 5.500 4.119 2.730 5.168 . 0 0 "[ . 1 . ]" 1
541 1 32 THR HA 1 32 THR MG . . 3.100 2.222 2.089 2.359 . 0 0 "[ . 1 . ]" 1
542 1 32 THR HA 1 33 PHE H . . 2.930 2.241 2.021 2.365 . 0 0 "[ . 1 . ]" 1
543 1 32 THR HA 1 33 PHE HA . . 4.610 4.483 4.422 4.525 . 0 0 "[ . 1 . ]" 1
544 1 32 THR HA 1 33 PHE QD . . 4.980 3.787 3.115 5.089 0.109 13 0 "[ . 1 . ]" 1
545 1 32 THR HB 1 39 TYR HA . . 5.190 4.746 3.775 5.267 0.077 6 0 "[ . 1 . ]" 1
546 1 32 THR HB 1 40 GLU H . . 3.790 3.496 2.651 3.851 0.061 2 0 "[ . 1 . ]" 1
547 1 32 THR HB 1 40 GLU HB2 . . 3.520 2.279 2.086 2.530 . 0 0 "[ . 1 . ]" 1
548 1 32 THR HB 1 40 GLU HB3 . . 4.060 3.764 2.969 4.120 0.060 1 0 "[ . 1 . ]" 1
549 1 32 THR HB 1 40 GLU QG . . 3.870 3.708 2.895 3.978 0.108 12 0 "[ . 1 . ]" 1
550 1 32 THR MG 1 33 PHE H . . 3.410 2.967 2.434 3.487 0.077 2 0 "[ . 1 . ]" 1
551 1 32 THR MG 1 34 ASN H . . 5.500 5.133 4.402 5.584 0.084 16 0 "[ . 1 . ]" 1
552 1 32 THR MG 1 34 ASN HD21 . . 5.500 3.605 2.275 4.782 . 0 0 "[ . 1 . ]" 1
553 1 32 THR MG 1 34 ASN HD22 . . 4.730 3.777 2.447 4.542 . 0 0 "[ . 1 . ]" 1
554 1 32 THR MG 1 39 TYR HA . . 5.310 4.924 4.334 5.415 0.105 2 0 "[ . 1 . ]" 1
555 1 32 THR MG 1 40 GLU H . . 5.250 4.631 4.211 5.106 . 0 0 "[ . 1 . ]" 1
556 1 32 THR MG 1 40 GLU QG . . 5.140 4.428 3.920 4.807 . 0 0 "[ . 1 . ]" 1
557 1 33 PHE H 1 33 PHE QB . . 3.540 2.587 1.839 2.791 . 0 0 "[ . 1 . ]" 1
558 1 33 PHE H 1 33 PHE QD . . 3.430 2.501 2.085 3.535 0.105 13 0 "[ . 1 . ]" 1
559 1 33 PHE H 1 39 TYR QB . . 5.500 4.739 4.175 5.205 . 0 0 "[ . 1 . ]" 1
560 1 33 PHE HA 1 33 PHE QD . . 3.290 2.967 2.424 3.219 . 0 0 "[ . 1 . ]" 1
561 1 33 PHE HA 1 34 ASN H . . 2.890 2.460 2.204 2.715 . 0 0 "[ . 1 . ]" 1
562 1 33 PHE HA 1 34 ASN HD21 . . 5.000 3.549 2.968 4.053 . 0 0 "[ . 1 . ]" 1
563 1 33 PHE HA 1 39 TYR HA . . 3.510 2.488 2.134 3.468 . 0 0 "[ . 1 . ]" 1
564 1 33 PHE HA 1 39 TYR QB . . 4.340 2.609 2.167 3.111 . 0 0 "[ . 1 . ]" 1
565 1 33 PHE HA 1 40 GLU H . . 5.040 3.700 3.124 4.487 . 0 0 "[ . 1 . ]" 1
566 1 33 PHE QB 1 34 ASN H . . 4.490 2.625 2.065 3.677 . 0 0 "[ . 1 . ]" 1
567 1 33 PHE QB 1 57 TYR HB3 . . 5.140 4.734 4.340 5.063 . 0 0 "[ . 1 . ]" 1
568 1 33 PHE QD 1 34 ASN H . . 5.240 4.043 2.163 4.769 . 0 0 "[ . 1 . ]" 1
569 1 34 ASN H 1 34 ASN HB2 . . 3.550 2.632 2.307 2.823 . 0 0 "[ . 1 . ]" 1
570 1 34 ASN H 1 34 ASN HB3 . . 3.920 3.737 3.549 3.887 . 0 0 "[ . 1 . ]" 1
571 1 34 ASN H 1 34 ASN HD21 . . 4.380 3.000 2.334 3.583 . 0 0 "[ . 1 . ]" 1
572 1 34 ASN H 1 34 ASN HD22 . . 4.830 4.484 3.813 4.890 0.060 19 0 "[ . 1 . ]" 1
573 1 34 ASN H 1 35 ALA H . . 5.500 4.448 4.272 4.620 . 0 0 "[ . 1 . ]" 1
574 1 34 ASN H 1 36 ASP H . . 5.500 4.806 4.000 5.173 . 0 0 "[ . 1 . ]" 1
575 1 34 ASN H 1 37 LYS H . . 5.500 4.709 4.110 5.367 . 0 0 "[ . 1 . ]" 1
576 1 34 ASN H 1 38 THR H . . 4.700 4.006 3.232 4.774 0.074 15 0 "[ . 1 . ]" 1
577 1 34 ASN H 1 39 TYR HA . . 3.890 3.407 2.477 3.976 0.086 5 0 "[ . 1 . ]" 1
578 1 34 ASN HA 1 34 ASN HD22 . . 5.500 3.819 3.542 4.189 . 0 0 "[ . 1 . ]" 1
579 1 34 ASN HA 1 35 ALA H . . 3.170 2.522 2.293 2.731 . 0 0 "[ . 1 . ]" 1
580 1 34 ASN HA 1 35 ALA MB . . 4.590 4.191 3.921 4.372 . 0 0 "[ . 1 . ]" 1
581 1 34 ASN HA 1 36 ASP H . . 4.650 4.538 4.161 4.733 0.083 18 0 "[ . 1 . ]" 1
582 1 34 ASN HB2 1 34 ASN HD21 . . 3.670 3.079 2.522 3.610 . 0 0 "[ . 1 . ]" 1
583 1 34 ASN HB2 1 34 ASN HD22 . . 4.040 3.904 3.730 4.113 0.073 14 0 "[ . 1 . ]" 1
584 1 34 ASN HB2 1 35 ALA H . . 4.520 3.513 3.205 3.740 . 0 0 "[ . 1 . ]" 1
585 1 34 ASN HB2 1 36 ASP H . . 3.690 3.432 2.748 3.769 0.079 1 0 "[ . 1 . ]" 1
586 1 34 ASN HB2 1 37 LYS H . . 2.950 2.836 2.263 3.033 0.083 19 0 "[ . 1 . ]" 1
587 1 34 ASN HB2 1 38 THR H . . 3.410 2.120 1.761 2.655 . 0 0 "[ . 1 . ]" 1
588 1 34 ASN HB3 1 35 ALA H . . 3.840 2.262 1.946 2.508 . 0 0 "[ . 1 . ]" 1
589 1 34 ASN HB3 1 36 ASP H . . 3.470 3.077 2.565 3.545 0.075 14 0 "[ . 1 . ]" 1
590 1 34 ASN HB3 1 37 LYS H . . 3.840 3.090 2.466 3.913 0.073 13 0 "[ . 1 . ]" 1
591 1 34 ASN HB3 1 38 THR H . . 4.020 3.372 2.949 3.802 . 0 0 "[ . 1 . ]" 1
592 1 34 ASN HD21 1 38 THR H . . 5.360 4.451 3.256 5.369 0.009 14 0 "[ . 1 . ]" 1
593 1 34 ASN HD21 1 39 TYR HA . . 5.040 3.274 2.078 4.252 . 0 0 "[ . 1 . ]" 1
594 1 34 ASN HD21 1 40 GLU H . . 5.500 4.803 3.877 5.562 0.062 7 0 "[ . 1 . ]" 1
595 1 34 ASN HD22 1 38 THR H . . 5.500 4.908 4.134 5.550 0.050 13 0 "[ . 1 . ]" 1
596 1 34 ASN HD22 1 39 TYR HA . . 5.500 3.941 2.953 4.607 . 0 0 "[ . 1 . ]" 1
597 1 34 ASN HD22 1 40 GLU HB2 . . 5.500 4.744 3.596 5.574 0.074 8 0 "[ . 1 . ]" 1
598 1 34 ASN HD22 1 40 GLU QG . . 5.500 3.454 1.640 4.331 . 0 0 "[ . 1 . ]" 1
599 1 35 ALA H 1 35 ALA MB . . 3.210 2.209 2.116 2.302 . 0 0 "[ . 1 . ]" 1
600 1 35 ALA H 1 36 ASP H . . 3.570 2.817 2.529 3.156 . 0 0 "[ . 1 . ]" 1
601 1 35 ALA H 1 37 LYS H . . 5.500 3.995 3.590 4.817 . 0 0 "[ . 1 . ]" 1
602 1 35 ALA HA 1 37 LYS H . . 5.120 5.138 4.908 5.207 0.087 17 0 "[ . 1 . ]" 1
603 1 35 ALA MB 1 36 ASP H . . 3.720 2.649 2.206 3.597 . 0 0 "[ . 1 . ]" 1
604 1 35 ALA MB 1 36 ASP HB2 . . 5.220 4.092 3.239 5.122 . 0 0 "[ . 1 . ]" 1
605 1 36 ASP H 1 36 ASP HB2 . . 3.960 3.558 2.674 4.044 0.084 18 0 "[ . 1 . ]" 1
606 1 36 ASP H 1 36 ASP HB3 . . 3.530 3.505 3.105 3.812 0.282 6 0 "[ . 1 . ]" 1
607 1 36 ASP H 1 37 LYS H . . 3.330 1.944 1.624 2.539 . 0 0 "[ . 1 . ]" 1
608 1 36 ASP HA 1 36 ASP HB2 . . 2.870 2.614 2.320 2.932 0.062 17 0 "[ . 1 . ]" 1
609 1 36 ASP HA 1 36 ASP HB3 . . 2.930 2.753 2.238 3.002 0.072 14 0 "[ . 1 . ]" 1
610 1 36 ASP HB3 1 37 LYS H . . 5.500 4.002 2.479 4.638 . 0 0 "[ . 1 . ]" 1
611 1 37 LYS H 1 37 LYS QD . . 4.670 4.141 2.572 4.577 . 0 0 "[ . 1 . ]" 1
612 1 37 LYS H 1 37 LYS QG . . 4.380 3.781 2.398 4.072 . 0 0 "[ . 1 . ]" 1
613 1 37 LYS H 1 38 THR H . . 3.060 2.742 1.957 3.132 0.072 16 0 "[ . 1 . ]" 1
614 1 37 LYS H 1 38 THR MG . . 4.900 4.718 4.104 5.016 0.116 19 0 "[ . 1 . ]" 1
615 1 37 LYS HA 1 37 LYS QD . . 4.130 2.688 2.083 3.942 . 0 0 "[ . 1 . ]" 1
616 1 37 LYS HA 1 37 LYS QG . . 3.660 3.100 2.239 3.452 . 0 0 "[ . 1 . ]" 1
617 1 37 LYS HA 1 38 THR MG . . 5.160 4.228 3.614 5.024 . 0 0 "[ . 1 . ]" 1
618 1 37 LYS HB2 1 38 THR H . . 5.320 3.925 3.607 4.460 . 0 0 "[ . 1 . ]" 1
619 1 37 LYS HB2 1 38 THR MG . . 5.260 4.373 3.742 4.686 . 0 0 "[ . 1 . ]" 1
620 1 37 LYS HB3 1 38 THR H . . 5.500 2.829 2.106 4.494 . 0 0 "[ . 1 . ]" 1
621 1 37 LYS HB3 1 38 THR MG . . 5.330 3.742 2.280 4.935 . 0 0 "[ . 1 . ]" 1
622 1 37 LYS QD 1 38 THR H . . 5.500 4.090 2.259 4.705 . 0 0 "[ . 1 . ]" 1
623 1 37 LYS QD 1 38 THR MG . . 3.430 2.919 2.113 3.423 . 0 0 "[ . 1 . ]" 1
624 1 37 LYS QG 1 38 THR MG . . 2.400 2.143 1.937 2.449 0.049 10 0 "[ . 1 . ]" 1
625 1 38 THR H 1 38 THR MG . . 3.540 2.949 2.462 3.472 . 0 0 "[ . 1 . ]" 1
626 1 38 THR H 1 39 TYR H . . 5.500 4.297 4.124 4.606 . 0 0 "[ . 1 . ]" 1
627 1 38 THR H 1 56 THR HA . . 5.050 4.906 4.545 5.113 0.063 15 0 "[ . 1 . ]" 1
628 1 38 THR H 1 57 TYR H . . 5.500 5.367 4.682 5.580 0.080 18 0 "[ . 1 . ]" 1
629 1 38 THR H 1 57 TYR QD . . 5.270 4.434 3.884 4.931 . 0 0 "[ . 1 . ]" 1
630 1 38 THR HA 1 38 THR MG . . 3.170 2.791 2.203 3.273 0.103 8 0 "[ . 1 . ]" 1
631 1 38 THR HA 1 39 TYR H . . 2.980 2.582 2.186 2.846 . 0 0 "[ . 1 . ]" 1
632 1 38 THR HA 1 39 TYR QD . . 4.750 3.829 3.498 4.142 . 0 0 "[ . 1 . ]" 1
633 1 38 THR HA 1 55 GLY H . . 4.770 4.531 4.174 4.842 0.072 7 0 "[ . 1 . ]" 1
634 1 38 THR HA 1 55 GLY HA3 . . 5.500 5.553 5.366 5.926 0.426 11 0 "[ . 1 . ]" 1
635 1 38 THR HA 1 56 THR H . . 5.500 4.845 4.682 4.958 . 0 0 "[ . 1 . ]" 1
636 1 38 THR HA 1 56 THR HA . . 2.880 2.367 2.157 2.757 . 0 0 "[ . 1 . ]" 1
637 1 38 THR HA 1 56 THR MG . . 3.170 2.767 2.191 3.260 0.090 2 0 "[ . 1 . ]" 1
638 1 38 THR HA 1 57 TYR H . . 4.030 3.781 3.290 4.107 0.077 10 0 "[ . 1 . ]" 1
639 1 38 THR HB 1 39 TYR H . . 3.800 3.119 1.970 3.870 0.070 3 0 "[ . 1 . ]" 1
640 1 38 THR MG 1 39 TYR H . . 4.200 3.354 2.798 3.796 . 0 0 "[ . 1 . ]" 1
641 1 38 THR MG 1 54 ARG QD . . 5.220 4.720 3.540 5.333 0.113 3 0 "[ . 1 . ]" 1
642 1 38 THR MG 1 55 GLY H . . 5.500 4.417 4.027 5.032 . 0 0 "[ . 1 . ]" 1
643 1 39 TYR H 1 39 TYR QD . . 3.270 2.601 1.847 3.147 . 0 0 "[ . 1 . ]" 1
644 1 39 TYR H 1 40 GLU H . . 5.500 4.383 4.268 4.536 . 0 0 "[ . 1 . ]" 1
645 1 39 TYR H 1 40 GLU QG . . 5.500 4.581 4.270 5.003 . 0 0 "[ . 1 . ]" 1
646 1 39 TYR H 1 54 ARG HB2 . . 5.500 4.650 3.297 6.313 0.813 19 2 "[ . 1 -. +]" 1
647 1 39 TYR H 1 55 GLY H . . 3.550 2.725 2.397 3.052 . 0 0 "[ . 1 . ]" 1
648 1 39 TYR H 1 56 THR HA . . 3.580 3.464 3.087 3.663 0.083 8 0 "[ . 1 . ]" 1
649 1 39 TYR HA 1 39 TYR QD . . 3.840 3.776 3.732 3.822 . 0 0 "[ . 1 . ]" 1
650 1 39 TYR HA 1 40 GLU H . . 2.940 2.543 2.315 2.683 . 0 0 "[ . 1 . ]" 1
651 1 39 TYR HA 1 40 GLU HA . . 5.350 4.575 4.451 4.661 . 0 0 "[ . 1 . ]" 1
652 1 39 TYR HA 1 40 GLU QG . . 4.850 3.902 3.468 4.399 . 0 0 "[ . 1 . ]" 1
653 1 39 TYR HA 1 55 GLY H . . 5.380 5.061 4.814 5.352 . 0 0 "[ . 1 . ]" 1
654 1 39 TYR QB 1 40 GLU H . . 3.400 2.442 1.981 2.793 . 0 0 "[ . 1 . ]" 1
655 1 39 TYR QB 1 55 GLY H . . 5.500 4.556 4.280 4.922 . 0 0 "[ . 1 . ]" 1
656 1 39 TYR QB 1 56 THR H . . 5.500 5.512 5.174 5.603 0.103 18 0 "[ . 1 . ]" 1
657 1 39 TYR QD 1 40 GLU H . . 3.520 2.952 2.637 3.178 . 0 0 "[ . 1 . ]" 1
658 1 39 TYR QD 1 40 GLU HA . . 4.660 4.054 3.398 4.402 . 0 0 "[ . 1 . ]" 1
659 1 39 TYR QD 1 41 VAL H . . 5.460 4.324 3.425 4.739 . 0 0 "[ . 1 . ]" 1
660 1 39 TYR QD 1 41 VAL HB . . 3.950 3.269 2.586 4.070 0.120 19 0 "[ . 1 . ]" 1
661 1 39 TYR QD 1 55 GLY HA2 . . 5.130 4.656 4.187 5.020 . 0 0 "[ . 1 . ]" 1
662 1 39 TYR QD 1 56 THR H . . 4.750 3.364 2.934 3.624 . 0 0 "[ . 1 . ]" 1
663 1 39 TYR QD 1 56 THR HA . . 3.990 2.898 2.511 3.343 . 0 0 "[ . 1 . ]" 1
664 1 39 TYR QD 1 56 THR HB . . 5.320 5.056 4.693 5.388 0.068 10 0 "[ . 1 . ]" 1
665 1 39 TYR QD 1 68 LEU QD . . 3.430 2.724 2.518 2.909 . 0 0 "[ . 1 . ]" 1
666 1 39 TYR QE 1 40 GLU H . . 4.990 4.996 4.697 5.092 0.102 19 0 "[ . 1 . ]" 1
667 1 39 TYR QE 1 41 VAL H . . 5.140 4.571 3.998 5.022 . 0 0 "[ . 1 . ]" 1
668 1 39 TYR QE 1 41 VAL HB . . 4.210 2.850 2.089 4.260 0.050 17 0 "[ . 1 . ]" 1
669 1 39 TYR QE 1 41 VAL QG . . 3.410 2.096 1.872 2.281 . 0 0 "[ . 1 . ]" 1
670 1 39 TYR QE 1 55 GLY HA2 . . 4.360 4.046 3.532 4.427 0.067 6 0 "[ . 1 . ]" 1
671 1 39 TYR QE 1 55 GLY HA3 . . 4.700 2.472 1.979 2.889 . 0 0 "[ . 1 . ]" 1
672 1 39 TYR QE 1 56 THR H . . 3.660 2.582 1.959 3.211 . 0 0 "[ . 1 . ]" 1
673 1 39 TYR QE 1 68 LEU HB3 . . 4.300 3.174 2.705 4.176 . 0 0 "[ . 1 . ]" 1
674 1 39 TYR QE 1 68 LEU QD . . 3.880 2.756 2.426 3.036 . 0 0 "[ . 1 . ]" 1
675 1 39 TYR QE 1 69 TYR H . . 3.540 2.778 2.151 3.560 0.020 15 0 "[ . 1 . ]" 1
676 1 40 GLU H 1 40 GLU HB2 . . 3.840 2.710 2.444 2.945 . 0 0 "[ . 1 . ]" 1
677 1 40 GLU H 1 40 GLU QG . . 3.930 3.348 2.866 3.859 . 0 0 "[ . 1 . ]" 1
678 1 40 GLU H 1 55 GLY H . . 5.500 5.302 4.845 5.533 0.033 8 0 "[ . 1 . ]" 1
679 1 40 GLU HA 1 40 GLU QG . . 3.460 2.368 2.104 2.553 . 0 0 "[ . 1 . ]" 1
680 1 40 GLU HA 1 41 VAL H . . 2.770 2.266 2.164 2.346 . 0 0 "[ . 1 . ]" 1
681 1 40 GLU HA 1 41 VAL QG . . 4.680 3.698 3.199 3.989 . 0 0 "[ . 1 . ]" 1
682 1 40 GLU HA 1 54 ARG HA . . 3.020 2.736 2.310 3.068 0.048 3 0 "[ . 1 . ]" 1
683 1 40 GLU HA 1 55 GLY H . . 4.240 4.234 3.939 4.325 0.085 8 0 "[ . 1 . ]" 1
684 1 40 GLU HB2 1 41 VAL H . . 3.970 4.169 3.832 4.590 0.620 12 4 "[ - 1 + . * *]" 1
685 1 40 GLU HB3 1 40 GLU QG . . 2.440 2.420 2.273 2.552 0.112 5 0 "[ . 1 . ]" 1
686 1 40 GLU HB3 1 41 VAL H . . 5.500 3.137 2.779 3.822 . 0 0 "[ . 1 . ]" 1
687 1 40 GLU QG 1 41 VAL H . . 4.230 4.034 3.785 4.297 0.067 6 0 "[ . 1 . ]" 1
688 1 40 GLU QG 1 54 ARG H . . 5.500 5.447 5.049 5.606 0.106 15 0 "[ . 1 . ]" 1
689 1 40 GLU QG 1 54 ARG HA . . 4.760 3.537 2.965 3.883 . 0 0 "[ . 1 . ]" 1
690 1 40 GLU QG 1 54 ARG QD . . 4.270 3.718 2.755 4.373 0.103 5 0 "[ . 1 . ]" 1
691 1 40 GLU QG 1 55 GLY H . . 5.500 4.865 4.367 5.405 . 0 0 "[ . 1 . ]" 1
692 1 41 VAL H 1 41 VAL HB . . 3.920 3.423 3.194 3.902 . 0 0 "[ . 1 . ]" 1
693 1 41 VAL H 1 41 VAL QG . . 3.270 2.566 2.153 2.731 . 0 0 "[ . 1 . ]" 1
694 1 41 VAL H 1 42 TYR H . . 5.220 4.346 4.241 4.537 . 0 0 "[ . 1 . ]" 1
695 1 41 VAL H 1 52 PRO HA . . 5.500 4.751 4.001 5.293 . 0 0 "[ . 1 . ]" 1
696 1 41 VAL H 1 53 PHE H . . 3.770 2.913 2.429 3.325 . 0 0 "[ . 1 . ]" 1
697 1 41 VAL H 1 53 PHE HB2 . . 4.460 4.164 2.479 4.541 0.081 17 0 "[ . 1 . ]" 1
698 1 41 VAL H 1 53 PHE HB3 . . 4.170 2.974 2.165 3.291 . 0 0 "[ . 1 . ]" 1
699 1 41 VAL H 1 54 ARG HA . . 4.600 4.048 3.321 4.663 0.063 3 0 "[ . 1 . ]" 1
700 1 41 VAL HA 1 41 VAL QG . . 3.120 2.258 2.095 2.430 . 0 0 "[ . 1 . ]" 1
701 1 41 VAL HA 1 42 TYR H . . 2.810 2.478 2.240 2.798 . 0 0 "[ . 1 . ]" 1
702 1 41 VAL HB 1 42 TYR H . . 4.640 3.735 2.460 4.315 . 0 0 "[ . 1 . ]" 1
703 1 41 VAL HB 1 53 PHE HB3 . . 4.350 4.208 2.436 4.441 0.091 14 0 "[ . 1 . ]" 1
704 1 41 VAL QG 1 42 TYR H . . 3.420 2.285 1.725 3.142 . 0 0 "[ . 1 . ]" 1
705 1 41 VAL QG 1 42 TYR HB3 . . 5.060 4.243 3.488 4.889 . 0 0 "[ . 1 . ]" 1
706 1 41 VAL QG 1 43 THR H . . 5.500 4.483 3.925 5.031 . 0 0 "[ . 1 . ]" 1
707 1 41 VAL QG 1 53 PHE H . . 4.560 3.598 3.160 4.195 . 0 0 "[ . 1 . ]" 1
708 1 41 VAL QG 1 53 PHE HB2 . . 3.280 3.069 2.811 3.356 0.076 12 0 "[ . 1 . ]" 1
709 1 41 VAL QG 1 53 PHE HB3 . . 3.400 2.118 1.923 2.851 . 0 0 "[ . 1 . ]" 1
710 1 41 VAL QG 1 53 PHE QD . . 3.300 2.473 2.100 2.864 . 0 0 "[ . 1 . ]" 1
711 1 41 VAL QG 1 53 PHE QE . . 4.380 4.125 3.779 4.397 0.017 7 0 "[ . 1 . ]" 1
712 1 41 VAL QG 1 54 ARG H . . 5.500 4.779 4.233 5.451 . 0 0 "[ . 1 . ]" 1
713 1 42 TYR H 1 42 TYR HB2 . . 4.130 3.835 2.879 4.112 . 0 0 "[ . 1 . ]" 1
714 1 42 TYR H 1 42 TYR HB3 . . 3.850 3.188 2.582 3.568 . 0 0 "[ . 1 . ]" 1
715 1 42 TYR H 1 42 TYR QD . . 3.990 3.215 2.175 4.097 0.107 19 0 "[ . 1 . ]" 1
716 1 42 TYR H 1 43 THR H . . 5.080 4.151 3.534 4.398 . 0 0 "[ . 1 . ]" 1
717 1 42 TYR HA 1 43 THR H . . 2.950 2.403 2.030 2.797 . 0 0 "[ . 1 . ]" 1
718 1 42 TYR HB2 1 43 THR H . . 4.100 3.191 2.154 4.456 0.356 19 0 "[ . 1 . ]" 1
719 1 42 TYR HB2 1 52 PRO HB3 . . 4.060 3.543 2.515 4.504 0.444 4 0 "[ . 1 . ]" 1
720 1 42 TYR HB3 1 43 THR H . . 4.380 4.095 3.653 4.460 0.080 12 0 "[ . 1 . ]" 1
721 1 42 TYR HB3 1 52 PRO HA . . 4.290 2.928 1.973 4.466 0.176 19 0 "[ . 1 . ]" 1
722 1 42 TYR HB3 1 52 PRO HB3 . . 4.930 3.230 2.279 5.005 0.075 15 0 "[ . 1 . ]" 1
723 1 42 TYR QD 1 43 THR H . . 3.750 3.501 2.822 3.839 0.089 12 0 "[ . 1 . ]" 1
724 1 42 TYR QD 1 44 GLY H . . 5.330 4.595 3.498 5.417 0.087 3 0 "[ . 1 . ]" 1
725 1 42 TYR QD 1 45 SER QB . . 4.080 3.312 2.117 4.081 0.001 17 0 "[ . 1 . ]" 1
726 1 42 TYR QD 1 50 GLY H . . 5.410 4.368 3.197 5.472 0.062 17 0 "[ . 1 . ]" 1
727 1 42 TYR QD 1 51 VAL H . . 5.500 4.455 3.117 5.557 0.057 16 0 "[ . 1 . ]" 1
728 1 42 TYR QD 1 52 PRO HB3 . . 3.620 3.541 2.745 3.718 0.098 17 0 "[ . 1 . ]" 1
729 1 42 TYR QD 1 53 PHE H . . 5.500 4.686 3.803 5.593 0.093 3 0 "[ . 1 . ]" 1
730 1 42 TYR QE 1 43 THR H . . 5.500 5.076 4.076 5.613 0.113 12 0 "[ . 1 . ]" 1
731 1 42 TYR QE 1 45 SER QB . . 3.490 2.386 1.914 3.336 . 0 0 "[ . 1 . ]" 1
732 1 42 TYR QE 1 49 ASN HA . . 2.690 2.694 2.207 2.866 0.176 17 0 "[ . 1 . ]" 1
733 1 42 TYR QE 1 50 GLY H . . 4.250 3.848 2.461 4.351 0.101 5 0 "[ . 1 . ]" 1
734 1 43 THR H 1 43 THR HB . . 3.410 3.051 2.670 3.484 0.074 16 0 "[ . 1 . ]" 1
735 1 43 THR H 1 43 THR MG . . 4.380 3.924 2.913 4.118 . 0 0 "[ . 1 . ]" 1
736 1 43 THR H 1 44 GLY H . . 5.160 4.253 3.850 4.675 . 0 0 "[ . 1 . ]" 1
737 1 43 THR H 1 44 GLY QA . . 5.500 4.728 4.424 5.225 . 0 0 "[ . 1 . ]" 1
738 1 43 THR HA 1 43 THR MG . . 3.430 2.343 2.158 3.269 . 0 0 "[ . 1 . ]" 1
739 1 43 THR HA 1 44 GLY H . . 2.870 2.266 2.130 2.465 . 0 0 "[ . 1 . ]" 1
740 1 43 THR HA 1 44 GLY QA . . 5.110 4.003 3.906 4.148 . 0 0 "[ . 1 . ]" 1
741 1 43 THR HB 1 44 GLY H . . 4.350 3.885 3.085 4.389 0.039 5 0 "[ . 1 . ]" 1
742 1 43 THR MG 1 44 GLY H . . 3.550 2.714 2.208 3.313 . 0 0 "[ . 1 . ]" 1
743 1 43 THR MG 1 44 GLY QA . . 4.310 3.476 3.151 4.005 . 0 0 "[ . 1 . ]" 1
744 1 44 GLY QA 1 45 SER H . . 3.290 2.188 2.067 2.280 . 0 0 "[ . 1 . ]" 1
745 1 44 GLY QA 1 45 SER HA . . 4.870 4.081 3.919 4.210 . 0 0 "[ . 1 . ]" 1
746 1 45 SER H 1 47 LEU H . . 5.500 5.076 4.639 5.560 0.060 8 0 "[ . 1 . ]" 1
747 1 45 SER HA 1 46 PRO HD3 . . 3.400 2.897 2.342 3.362 . 0 0 "[ . 1 . ]" 1
748 1 45 SER HA 1 47 LEU H . . 5.070 3.286 2.727 4.195 . 0 0 "[ . 1 . ]" 1
749 1 45 SER HA 1 48 SER H . . 4.470 4.255 2.994 4.561 0.091 13 0 "[ . 1 . ]" 1
750 1 45 SER QB 1 47 LEU H . . 4.670 3.687 1.848 4.449 . 0 0 "[ . 1 . ]" 1
751 1 46 PRO HB2 1 47 LEU HB2 . . 5.500 4.937 3.933 6.496 0.996 13 1 "[ . 1 + . ]" 1
752 1 46 PRO HB3 1 47 LEU H . . 4.610 4.415 4.031 4.655 0.045 3 0 "[ . 1 . ]" 1
753 1 46 PRO HD2 1 47 LEU H . . 4.380 2.816 2.205 3.362 . 0 0 "[ . 1 . ]" 1
754 1 46 PRO HD2 1 47 LEU HB2 . . 4.740 4.655 3.302 5.713 0.973 13 4 "[ . * 1- + . *]" 1
755 1 46 PRO HD3 1 47 LEU H . . 5.010 3.965 3.694 4.214 . 0 0 "[ . 1 . ]" 1
756 1 46 PRO HG2 1 47 LEU H . . 5.500 3.090 2.615 5.091 . 0 0 "[ . 1 . ]" 1
757 1 47 LEU H 1 47 LEU HB2 . . 3.250 2.750 1.928 3.541 0.291 13 0 "[ . 1 . ]" 1
758 1 47 LEU H 1 47 LEU HB3 . . 4.020 3.160 1.926 3.888 . 0 0 "[ . 1 . ]" 1
759 1 47 LEU H 1 47 LEU QD . . 4.960 3.422 1.797 3.956 . 0 0 "[ . 1 . ]" 1
760 1 47 LEU H 1 47 LEU HG . . 3.840 3.672 2.130 3.936 0.096 3 0 "[ . 1 . ]" 1
761 1 47 LEU H 1 48 SER H . . 3.090 2.540 1.906 3.162 0.072 2 0 "[ . 1 . ]" 1
762 1 47 LEU HA 1 47 LEU QD . . 2.850 2.293 2.005 2.912 0.062 13 0 "[ . 1 . ]" 1
763 1 47 LEU HB2 1 47 LEU QD . . 2.620 2.221 2.153 2.365 . 0 0 "[ . 1 . ]" 1
764 1 47 LEU HB2 1 48 SER H . . 3.860 3.162 2.088 4.120 0.260 6 0 "[ . 1 . ]" 1
765 1 47 LEU QD 1 48 SER H . . 5.500 3.683 3.021 4.540 . 0 0 "[ . 1 . ]" 1
766 1 48 SER H 1 48 SER HB2 . . 3.780 3.331 2.277 3.899 0.119 11 0 "[ . 1 . ]" 1
767 1 48 SER H 1 48 SER HB3 . . 3.960 3.629 2.766 3.915 . 0 0 "[ . 1 . ]" 1
768 1 48 SER H 1 49 ASN H . . 4.430 4.178 3.630 4.461 0.031 3 0 "[ . 1 . ]" 1
769 1 48 SER HA 1 48 SER HB2 . . 2.840 2.778 2.152 3.052 0.212 10 0 "[ . 1 . ]" 1
770 1 48 SER HA 1 49 ASN H . . 2.970 2.399 2.120 2.764 . 0 0 "[ . 1 . ]" 1
771 1 48 SER HB2 1 49 ASN H . . 3.970 3.396 1.984 4.386 0.416 14 0 "[ . 1 . ]" 1
772 1 48 SER HB2 1 49 ASN QB . . 5.190 4.908 3.448 5.957 0.767 19 5 "[* * . 1 .- *+]" 1
773 1 49 ASN H 1 49 ASN QB . . 3.600 2.673 2.142 3.166 . 0 0 "[ . 1 . ]" 1
774 1 49 ASN H 1 49 ASN HD21 . . 5.050 3.721 2.364 4.932 . 0 0 "[ . 1 . ]" 1
775 1 49 ASN H 1 49 ASN HD22 . . 5.500 4.520 3.202 5.587 0.087 17 0 "[ . 1 . ]" 1
776 1 49 ASN H 1 50 GLY H . . 4.040 3.681 2.807 4.126 0.086 6 0 "[ . 1 . ]" 1
777 1 49 ASN HA 1 49 ASN HD21 . . 4.720 3.451 2.229 4.615 . 0 0 "[ . 1 . ]" 1
778 1 49 ASN HA 1 49 ASN HD22 . . 5.500 4.278 3.197 5.443 . 0 0 "[ . 1 . ]" 1
779 1 49 ASN HA 1 50 GLY H . . 3.090 2.383 2.112 3.151 0.061 8 0 "[ . 1 . ]" 1
780 1 49 ASN HA 1 50 GLY HA3 . . 5.100 4.579 4.373 5.118 0.018 8 0 "[ . 1 . ]" 1
781 1 49 ASN QB 1 50 GLY H . . 4.180 3.775 3.503 3.929 . 0 0 "[ . 1 . ]" 1
782 1 49 ASN QB 1 50 GLY HA2 . . 5.500 4.659 4.192 5.066 . 0 0 "[ . 1 . ]" 1
783 1 50 GLY H 1 51 VAL H . . 4.460 2.626 1.580 3.307 . 0 0 "[ . 1 . ]" 1
784 1 50 GLY H 1 51 VAL HA . . 5.500 5.111 4.460 5.565 0.065 8 0 "[ . 1 . ]" 1
785 1 50 GLY H 1 51 VAL QG . . 5.500 4.312 3.617 5.033 . 0 0 "[ . 1 . ]" 1
786 1 50 GLY HA2 1 51 VAL H . . 3.460 3.485 3.097 3.542 0.082 10 0 "[ . 1 . ]" 1
787 1 50 GLY HA2 1 51 VAL HA . . 4.550 4.607 4.582 4.631 0.081 6 0 "[ . 1 . ]" 1
788 1 50 GLY HA2 1 51 VAL QG . . 4.770 4.166 3.640 4.566 . 0 0 "[ . 1 . ]" 1
789 1 50 GLY HA3 1 51 VAL H . . 3.010 2.734 2.365 3.354 0.344 17 0 "[ . 1 . ]" 1
790 1 50 GLY HA3 1 51 VAL QG . . 4.560 3.314 2.740 3.565 . 0 0 "[ . 1 . ]" 1
791 1 51 VAL H 1 51 VAL HB . . 3.080 2.885 2.637 3.172 0.092 10 0 "[ . 1 . ]" 1
792 1 51 VAL H 1 51 VAL QG . . 3.060 2.640 2.118 3.037 . 0 0 "[ . 1 . ]" 1
793 1 51 VAL HA 1 51 VAL QG . . 2.790 2.153 2.063 2.283 . 0 0 "[ . 1 . ]" 1
794 1 51 VAL HA 1 52 PRO HD2 . . 2.910 2.179 2.093 2.265 . 0 0 "[ . 1 . ]" 1
795 1 51 VAL HA 1 52 PRO HD3 . . 2.840 2.748 2.569 2.885 0.045 15 0 "[ . 1 . ]" 1
796 1 51 VAL HA 1 52 PRO HG2 . . 5.060 4.362 4.206 4.476 . 0 0 "[ . 1 . ]" 1
797 1 51 VAL HA 1 52 PRO HG3 . . 4.710 4.699 4.610 4.755 0.045 5 0 "[ . 1 . ]" 1
798 1 51 VAL HB 1 52 PRO HD2 . . 5.200 4.844 4.439 5.071 . 0 0 "[ . 1 . ]" 1
799 1 51 VAL QG 1 52 PRO HD2 . . 3.470 3.405 3.251 3.558 0.088 7 0 "[ . 1 . ]" 1
800 1 51 VAL QG 1 52 PRO HD3 . . 3.910 4.014 3.989 4.033 0.123 3 0 "[ . 1 . ]" 1
801 1 52 PRO HA 1 53 PHE H . . 2.900 2.382 2.115 2.592 . 0 0 "[ . 1 . ]" 1
802 1 52 PRO HB2 1 53 PHE H . . 4.050 2.712 2.294 3.686 . 0 0 "[ . 1 . ]" 1
803 1 52 PRO HB3 1 53 PHE H . . 4.140 3.590 3.339 4.083 . 0 0 "[ . 1 . ]" 1
804 1 53 PHE H 1 53 PHE HB2 . . 3.410 2.544 2.057 2.914 . 0 0 "[ . 1 . ]" 1
805 1 53 PHE H 1 53 PHE HB3 . . 3.480 2.675 2.429 3.198 . 0 0 "[ . 1 . ]" 1
806 1 53 PHE H 1 53 PHE QD . . 5.360 4.201 3.985 4.334 . 0 0 "[ . 1 . ]" 1
807 1 53 PHE H 1 54 ARG H . . 5.380 4.511 4.339 4.695 . 0 0 "[ . 1 . ]" 1
808 1 53 PHE HA 1 53 PHE QD . . 3.700 2.487 1.959 2.850 . 0 0 "[ . 1 . ]" 1
809 1 53 PHE HA 1 53 PHE QE . . 4.850 4.398 4.160 4.615 . 0 0 "[ . 1 . ]" 1
810 1 53 PHE HA 1 54 ARG H . . 2.790 2.331 2.186 2.467 . 0 0 "[ . 1 . ]" 1
811 1 53 PHE HB2 1 54 ARG H . . 4.850 4.250 3.837 4.561 . 0 0 "[ . 1 . ]" 1
812 1 53 PHE HB3 1 54 ARG H . . 4.630 3.742 3.176 4.328 . 0 0 "[ . 1 . ]" 1
813 1 53 PHE QD 1 54 ARG H . . 3.960 3.152 2.387 3.813 . 0 0 "[ . 1 . ]" 1
814 1 53 PHE QD 1 71 LYS H . . 5.500 5.398 4.661 5.595 0.095 4 0 "[ . 1 . ]" 1
815 1 53 PHE QD 1 76 THR MG . . 5.080 4.832 3.769 5.217 0.137 14 0 "[ . 1 . ]" 1
816 1 53 PHE QE 1 70 ASP H . . 5.500 4.888 4.192 5.531 0.031 19 0 "[ . 1 . ]" 1
817 1 53 PHE QE 1 70 ASP HA . . 4.120 2.824 2.047 4.195 0.075 14 0 "[ . 1 . ]" 1
818 1 53 PHE QE 1 70 ASP QB . . 4.990 2.927 2.081 3.858 . 0 0 "[ . 1 . ]" 1
819 1 53 PHE QE 1 71 LYS H . . 5.380 3.726 3.234 4.893 . 0 0 "[ . 1 . ]" 1
820 1 53 PHE QE 1 76 THR MG . . 4.470 3.468 2.205 4.374 . 0 0 "[ . 1 . ]" 1
821 1 53 PHE HZ 1 70 ASP H . . 5.500 5.132 4.712 5.599 0.099 14 0 "[ . 1 . ]" 1
822 1 53 PHE HZ 1 70 ASP HA . . 4.020 3.241 2.061 4.095 0.075 5 0 "[ . 1 . ]" 1
823 1 53 PHE HZ 1 70 ASP QB . . 3.490 2.305 1.970 2.758 . 0 0 "[ . 1 . ]" 1
824 1 53 PHE HZ 1 71 LYS H . . 5.110 3.238 1.845 5.186 0.076 3 0 "[ . 1 . ]" 1
825 1 54 ARG H 1 54 ARG HB2 . . 4.140 3.655 2.600 4.074 . 0 0 "[ . 1 . ]" 1
826 1 54 ARG H 1 54 ARG HB3 . . 3.730 3.627 3.343 3.776 0.046 4 0 "[ . 1 . ]" 1
827 1 54 ARG H 1 54 ARG QD . . 4.370 3.814 2.519 4.473 0.103 19 0 "[ . 1 . ]" 1
828 1 54 ARG H 1 54 ARG QG . . 3.400 2.654 2.277 3.305 . 0 0 "[ . 1 . ]" 1
829 1 54 ARG H 1 55 GLY H . . 5.130 4.060 3.192 4.368 . 0 0 "[ . 1 . ]" 1
830 1 54 ARG HA 1 54 ARG QD . . 4.650 3.918 3.488 4.280 . 0 0 "[ . 1 . ]" 1
831 1 54 ARG HA 1 54 ARG QG . . 3.770 3.205 2.241 3.576 . 0 0 "[ . 1 . ]" 1
832 1 54 ARG HA 1 55 GLY H . . 2.850 2.208 2.069 2.518 . 0 0 "[ . 1 . ]" 1
833 1 54 ARG HB2 1 54 ARG QD . . 3.070 2.772 2.186 3.177 0.107 16 0 "[ . 1 . ]" 1
834 1 54 ARG HB2 1 55 GLY H . . 3.950 3.377 2.150 4.444 0.494 4 0 "[ . 1 . ]" 1
835 1 54 ARG HB3 1 54 ARG QD . . 3.620 2.298 2.076 3.035 . 0 0 "[ . 1 . ]" 1
836 1 54 ARG QD 1 55 GLY H . . 5.490 5.126 3.935 5.570 0.080 19 0 "[ . 1 . ]" 1
837 1 54 ARG QG 1 55 GLY H . . 5.100 4.190 3.598 4.627 . 0 0 "[ . 1 . ]" 1
838 1 55 GLY H 1 56 THR HA . . 5.500 4.585 4.230 5.017 . 0 0 "[ . 1 . ]" 1
839 1 55 GLY H 1 70 ASP HA . . 5.500 5.329 4.626 5.575 0.075 8 0 "[ . 1 . ]" 1
840 1 55 GLY HA2 1 56 THR H . . 3.330 3.013 2.785 3.316 . 0 0 "[ . 1 . ]" 1
841 1 55 GLY HA3 1 56 THR H . . 3.240 2.362 2.206 2.509 . 0 0 "[ . 1 . ]" 1
842 1 55 GLY HA3 1 69 TYR HB2 . . 5.500 4.889 4.042 5.542 0.042 7 0 "[ . 1 . ]" 1
843 1 55 GLY HA3 1 70 ASP HA . . 4.370 3.047 2.416 3.863 . 0 0 "[ . 1 . ]" 1
844 1 56 THR H 1 56 THR MG . . 4.750 3.514 3.092 3.954 . 0 0 "[ . 1 . ]" 1
845 1 56 THR H 1 68 LEU QD . . 5.500 4.862 4.228 5.452 . 0 0 "[ . 1 . ]" 1
846 1 56 THR H 1 69 TYR H . . 4.090 3.194 2.702 3.785 . 0 0 "[ . 1 . ]" 1
847 1 56 THR H 1 69 TYR HB2 . . 4.380 3.094 2.465 3.690 . 0 0 "[ . 1 . ]" 1
848 1 56 THR H 1 69 TYR HB3 . . 4.850 4.057 3.609 4.521 . 0 0 "[ . 1 . ]" 1
849 1 56 THR HA 1 56 THR MG . . 3.060 2.233 2.172 2.278 . 0 0 "[ . 1 . ]" 1
850 1 56 THR HA 1 57 TYR H . . 3.010 2.293 2.141 2.511 . 0 0 "[ . 1 . ]" 1
851 1 56 THR HA 1 57 TYR QD . . 4.510 3.861 3.507 4.220 . 0 0 "[ . 1 . ]" 1
852 1 56 THR HB 1 57 TYR H . . 3.520 3.191 2.443 3.600 0.080 7 0 "[ . 1 . ]" 1
853 1 56 THR HB 1 57 TYR HA . . 4.670 4.532 4.190 4.747 0.077 16 0 "[ . 1 . ]" 1
854 1 56 THR HB 1 69 TYR H . . 5.500 4.876 4.053 5.566 0.066 3 0 "[ . 1 . ]" 1
855 1 56 THR MG 1 57 TYR H . . 3.830 3.277 2.083 3.905 0.075 14 0 "[ . 1 . ]" 1
856 1 57 TYR H 1 57 TYR QD . . 4.190 2.526 1.907 3.187 . 0 0 "[ . 1 . ]" 1
857 1 57 TYR H 1 68 LEU HA . . 4.920 4.979 4.888 5.018 0.098 15 0 "[ . 1 . ]" 1
858 1 57 TYR H 1 68 LEU QD . . 5.500 4.379 3.960 5.228 . 0 0 "[ . 1 . ]" 1
859 1 57 TYR HA 1 57 TYR HB3 . . 2.930 2.545 2.421 2.713 . 0 0 "[ . 1 . ]" 1
860 1 57 TYR HA 1 58 ILE H . . 2.900 2.332 2.205 2.517 . 0 0 "[ . 1 . ]" 1
861 1 57 TYR HA 1 58 ILE HB . . 5.240 4.629 4.197 4.975 . 0 0 "[ . 1 . ]" 1
862 1 57 TYR HA 1 58 ILE HG13 . . 4.730 3.598 3.324 3.980 . 0 0 "[ . 1 . ]" 1
863 1 57 TYR HA 1 66 ILE MD . . 5.500 4.678 4.046 5.599 0.099 1 0 "[ . 1 . ]" 1
864 1 57 TYR HA 1 68 LEU HA . . 3.540 2.401 2.170 2.656 . 0 0 "[ . 1 . ]" 1
865 1 57 TYR HA 1 68 LEU QD . . 4.230 2.940 2.185 3.778 . 0 0 "[ . 1 . ]" 1
866 1 57 TYR HA 1 69 TYR H . . 4.010 3.262 2.689 3.677 . 0 0 "[ . 1 . ]" 1
867 1 57 TYR HA 1 69 TYR QD . . 3.620 3.451 3.163 3.716 0.096 13 0 "[ . 1 . ]" 1
868 1 57 TYR HB2 1 58 ILE H . . 3.980 2.688 2.273 2.977 . 0 0 "[ . 1 . ]" 1
869 1 57 TYR HB2 1 66 ILE MD . . 4.160 2.803 2.124 3.754 . 0 0 "[ . 1 . ]" 1
870 1 57 TYR HB2 1 68 LEU QD . . 4.320 2.739 2.113 3.625 . 0 0 "[ . 1 . ]" 1
871 1 57 TYR HB3 1 58 ILE H . . 3.660 3.954 3.734 4.068 0.408 12 0 "[ . 1 . ]" 1
872 1 57 TYR HB3 1 68 LEU QD . . 3.210 2.492 2.141 3.198 . 0 0 "[ . 1 . ]" 1
873 1 57 TYR HB3 1 68 LEU HG . . 5.350 4.495 2.921 5.469 0.119 8 0 "[ . 1 . ]" 1
874 1 57 TYR QD 1 58 ILE HA . . 5.290 3.658 2.935 4.361 . 0 0 "[ . 1 . ]" 1
875 1 57 TYR QD 1 59 ILE MD . . 4.860 2.843 2.092 4.484 . 0 0 "[ . 1 . ]" 1
876 1 57 TYR QD 1 59 ILE QG . . 5.070 2.728 2.064 4.563 . 0 0 "[ . 1 . ]" 1
877 1 57 TYR QD 1 66 ILE HG13 . . 5.500 3.124 2.191 4.290 . 0 0 "[ . 1 . ]" 1
878 1 57 TYR QD 1 68 LEU QD . . 5.280 3.894 3.530 4.635 . 0 0 "[ . 1 . ]" 1
879 1 58 ILE H 1 58 ILE HB . . 3.480 2.921 2.463 3.366 . 0 0 "[ . 1 . ]" 1
880 1 58 ILE H 1 58 ILE HG12 . . 5.250 3.999 3.739 4.168 . 0 0 "[ . 1 . ]" 1
881 1 58 ILE H 1 58 ILE HG13 . . 4.520 3.153 2.987 3.337 . 0 0 "[ . 1 . ]" 1
882 1 58 ILE H 1 66 ILE HA . . 5.140 4.313 3.739 4.819 . 0 0 "[ . 1 . ]" 1
883 1 58 ILE H 1 66 ILE MD . . 5.500 4.179 3.671 4.670 . 0 0 "[ . 1 . ]" 1
884 1 58 ILE H 1 67 LYS H . . 4.050 2.986 2.521 4.117 0.067 13 0 "[ . 1 . ]" 1
885 1 58 ILE H 1 68 LEU HA . . 5.480 3.829 3.232 4.515 . 0 0 "[ . 1 . ]" 1
886 1 58 ILE H 1 68 LEU QD . . 5.010 3.994 3.074 4.718 . 0 0 "[ . 1 . ]" 1
887 1 58 ILE H 1 69 TYR H . . 5.500 5.086 4.505 5.573 0.073 18 0 "[ . 1 . ]" 1
888 1 58 ILE H 1 69 TYR QD . . 4.660 3.932 3.521 4.479 . 0 0 "[ . 1 . ]" 1
889 1 58 ILE H 1 69 TYR QE . . 4.910 4.335 3.513 4.987 0.077 7 0 "[ . 1 . ]" 1
890 1 58 ILE HA 1 58 ILE MD . . 4.250 3.875 3.696 4.070 . 0 0 "[ . 1 . ]" 1
891 1 58 ILE HA 1 58 ILE HG12 . . 3.600 2.597 2.268 2.959 . 0 0 "[ . 1 . ]" 1
892 1 58 ILE HA 1 58 ILE HG13 . . 4.060 3.286 3.100 3.477 . 0 0 "[ . 1 . ]" 1
893 1 58 ILE HA 1 58 ILE MG . . 3.260 2.407 2.249 2.762 . 0 0 "[ . 1 . ]" 1
894 1 58 ILE HA 1 59 ILE H . . 2.640 2.288 2.050 2.627 . 0 0 "[ . 1 . ]" 1
895 1 58 ILE HB 1 58 ILE MD . . 3.390 2.520 2.367 2.717 . 0 0 "[ . 1 . ]" 1
896 1 58 ILE HB 1 59 ILE H . . 4.060 4.000 3.318 4.149 0.089 9 0 "[ . 1 . ]" 1
897 1 58 ILE HB 1 67 LYS H . . 4.740 3.576 2.925 4.346 . 0 0 "[ . 1 . ]" 1
898 1 58 ILE HB 1 69 TYR QE . . 3.090 2.787 2.209 3.157 0.067 4 0 "[ . 1 . ]" 1
899 1 58 ILE MD 1 69 TYR QD . . 4.940 3.292 2.612 4.611 . 0 0 "[ . 1 . ]" 1
900 1 58 ILE MD 1 69 TYR QE . . 3.640 2.551 2.217 3.422 . 0 0 "[ . 1 . ]" 1
901 1 58 ILE HG12 1 58 ILE MG . . 2.930 2.510 2.342 2.769 . 0 0 "[ . 1 . ]" 1
902 1 58 ILE HG12 1 69 TYR QE . . 5.040 4.523 3.724 5.130 0.090 3 0 "[ . 1 . ]" 1
903 1 58 ILE HG13 1 69 TYR QD . . 3.870 2.800 2.119 3.988 0.118 18 0 "[ . 1 . ]" 1
904 1 58 ILE HG13 1 69 TYR QE . . 4.710 3.147 1.988 3.834 . 0 0 "[ . 1 . ]" 1
905 1 58 ILE MG 1 59 ILE H . . 3.540 2.451 1.867 2.947 . 0 0 "[ . 1 . ]" 1
906 1 58 ILE MG 1 69 TYR QE . . 4.160 3.915 3.312 4.248 0.088 3 0 "[ . 1 . ]" 1
907 1 59 ILE H 1 59 ILE HB . . 4.210 2.771 2.570 3.112 . 0 0 "[ . 1 . ]" 1
908 1 59 ILE H 1 59 ILE QG . . 4.850 2.828 2.239 4.173 . 0 0 "[ . 1 . ]" 1
909 1 59 ILE HA 1 59 ILE MD . . 4.080 3.226 2.174 4.080 . 0 0 "[ . 1 . ]" 1
910 1 59 ILE HA 1 59 ILE MG . . 3.640 2.410 2.161 3.228 . 0 0 "[ . 1 . ]" 1
911 1 59 ILE HA 1 60 SER H . . 2.910 2.405 2.174 2.996 0.086 4 0 "[ . 1 . ]" 1
912 1 59 ILE HB 1 60 SER H . . 5.500 3.785 2.524 4.515 . 0 0 "[ . 1 . ]" 1
913 1 59 ILE HB 1 81 ILE MD . . 5.500 4.853 4.247 5.550 0.050 12 0 "[ . 1 . ]" 1
914 1 59 ILE MD 1 66 ILE HB . . 4.180 2.987 2.069 3.980 . 0 0 "[ . 1 . ]" 1
915 1 59 ILE MD 1 66 ILE MD . . 3.950 2.503 2.013 3.709 . 0 0 "[ . 1 . ]" 1
916 1 59 ILE MD 1 66 ILE HG13 . . 4.270 3.091 2.178 4.288 0.018 13 0 "[ . 1 . ]" 1
917 1 59 ILE MD 1 66 ILE MG . . 4.600 3.943 3.305 4.645 0.045 3 0 "[ . 1 . ]" 1
918 1 59 ILE MD 1 81 ILE MD . . 3.910 2.759 2.026 3.981 0.071 3 0 "[ . 1 . ]" 1
919 1 59 ILE MG 1 60 SER H . . 5.050 2.474 1.710 4.354 . 0 0 "[ . 1 . ]" 1
920 1 59 ILE MG 1 65 LEU H . . 5.070 4.254 2.890 5.180 0.110 11 0 "[ . 1 . ]" 1
921 1 60 SER H 1 60 SER QB . . 3.780 2.615 2.153 3.413 . 0 0 "[ . 1 . ]" 1
922 1 60 SER H 1 65 LEU H . . 5.110 3.627 2.678 5.026 . 0 0 "[ . 1 . ]" 1
923 1 60 SER H 1 65 LEU HB3 . . 5.500 4.449 3.224 5.576 0.076 11 0 "[ . 1 . ]" 1
924 1 60 SER HA 1 61 LEU QD . . 3.940 3.460 2.824 3.973 0.033 4 0 "[ . 1 . ]" 1
925 1 60 SER QB 1 61 LEU QB . . 5.120 4.565 3.830 4.948 . 0 0 "[ . 1 . ]" 1
926 1 60 SER QB 1 65 LEU H . . 4.440 3.027 1.893 4.207 . 0 0 "[ . 1 . ]" 1
927 1 60 SER QB 1 65 LEU HB3 . . 5.140 3.709 2.157 4.669 . 0 0 "[ . 1 . ]" 1
928 1 61 LEU H 1 61 LEU QB . . 3.430 2.340 2.096 2.654 . 0 0 "[ . 1 . ]" 1
929 1 61 LEU H 1 61 LEU QD . . 4.570 2.630 2.014 3.272 . 0 0 "[ . 1 . ]" 1
930 1 61 LEU H 1 61 LEU HG . . 4.360 3.804 1.993 4.434 0.074 4 0 "[ . 1 . ]" 1
931 1 61 LEU H 1 62 ASP HA . . 5.500 4.967 4.502 5.523 0.023 10 0 "[ . 1 . ]" 1
932 1 61 LEU HA 1 61 LEU QD . . 3.220 2.406 1.935 3.052 . 0 0 "[ . 1 . ]" 1
933 1 61 LEU QB 1 62 ASP H . . 4.630 2.714 2.211 3.414 . 0 0 "[ . 1 . ]" 1
934 1 61 LEU QB 1 62 ASP HA . . 5.260 3.870 3.365 4.550 . 0 0 "[ . 1 . ]" 1
935 1 61 LEU QB 1 63 GLU H . . 5.500 4.908 4.200 5.527 0.027 15 0 "[ . 1 . ]" 1
936 1 61 LEU HG 1 62 ASP H . . 5.490 4.873 4.114 5.442 . 0 0 "[ . 1 . ]" 1
937 1 62 ASP H 1 63 GLU H . . 5.290 2.869 2.514 3.283 . 0 0 "[ . 1 . ]" 1
938 1 62 ASP QB 1 63 GLU H . . 5.500 2.368 1.723 3.581 . 0 0 "[ . 1 . ]" 1
939 1 62 ASP QB 1 64 LYS H . . 5.500 4.176 2.592 5.588 0.088 8 0 "[ . 1 . ]" 1
940 1 63 GLU H 1 63 GLU QG . . 4.100 3.047 1.763 4.010 . 0 0 "[ . 1 . ]" 1
941 1 63 GLU H 1 64 LYS H . . 4.530 2.691 1.865 4.561 0.031 8 0 "[ . 1 . ]" 1
942 1 63 GLU QB 1 64 LYS H . . 5.500 3.307 2.469 4.066 . 0 0 "[ . 1 . ]" 1
943 1 63 GLU QB 1 80 HIS HE1 . . 5.430 4.648 2.291 5.525 0.095 3 0 "[ . 1 . ]" 1
944 1 63 GLU QG 1 65 LEU QD . . 5.500 4.102 2.421 5.218 . 0 0 "[ . 1 . ]" 1
945 1 64 LYS H 1 65 LEU H . . 4.420 3.600 2.793 4.503 0.083 15 0 "[ . 1 . ]" 1
946 1 65 LEU H 1 65 LEU HG . . 5.500 4.434 2.577 4.927 . 0 0 "[ . 1 . ]" 1
947 1 65 LEU HA 1 65 LEU QD . . 3.670 2.687 1.962 3.401 . 0 0 "[ . 1 . ]" 1
948 1 65 LEU HA 1 66 ILE H . . 3.080 2.515 2.099 2.911 . 0 0 "[ . 1 . ]" 1
949 1 65 LEU HA 1 66 ILE MG . . 4.580 3.798 3.448 4.408 . 0 0 "[ . 1 . ]" 1
950 1 65 LEU QD 1 66 ILE H . . 4.560 2.482 1.905 3.191 . 0 0 "[ . 1 . ]" 1
951 1 65 LEU QD 1 66 ILE MG . . 4.790 3.525 2.940 4.064 . 0 0 "[ . 1 . ]" 1
952 1 65 LEU QD 1 67 LYS QE . . 4.200 2.740 1.884 3.955 . 0 0 "[ . 1 . ]" 1
953 1 65 LEU QD 1 67 LYS QG . . 3.960 2.289 1.896 3.479 . 0 0 "[ . 1 . ]" 1
954 1 65 LEU QD 1 78 GLN HA . . 4.860 3.520 3.036 4.396 . 0 0 "[ . 1 . ]" 1
955 1 65 LEU QD 1 78 GLN HB2 . . 5.500 2.256 1.923 2.820 . 0 0 "[ . 1 . ]" 1
956 1 65 LEU QD 1 79 TYR H . . 4.770 2.897 2.097 3.831 . 0 0 "[ . 1 . ]" 1
957 1 65 LEU QD 1 80 HIS H . . 5.500 3.989 3.210 5.038 . 0 0 "[ . 1 . ]" 1
958 1 65 LEU QD 1 80 HIS HA . . 4.430 2.801 1.920 3.891 . 0 0 "[ . 1 . ]" 1
959 1 65 LEU QD 1 80 HIS HD2 . . 5.460 4.186 2.672 5.266 . 0 0 "[ . 1 . ]" 1
960 1 65 LEU HG 1 66 ILE H . . 4.870 3.478 1.889 4.945 0.075 2 0 "[ . 1 . ]" 1
961 1 66 ILE H 1 66 ILE HG12 . . 5.250 4.428 4.301 4.599 . 0 0 "[ . 1 . ]" 1
962 1 66 ILE H 1 66 ILE MG . . 3.180 2.147 1.881 2.545 . 0 0 "[ . 1 . ]" 1
963 1 66 ILE H 1 67 LYS QG . . 5.380 4.259 3.605 5.067 . 0 0 "[ . 1 . ]" 1
964 1 66 ILE H 1 79 TYR H . . 4.160 3.405 2.729 4.070 . 0 0 "[ . 1 . ]" 1
965 1 66 ILE HA 1 66 ILE MD . . 4.310 3.781 3.580 3.895 . 0 0 "[ . 1 . ]" 1
966 1 66 ILE HA 1 66 ILE HG12 . . 4.030 3.154 2.344 3.375 . 0 0 "[ . 1 . ]" 1
967 1 66 ILE HA 1 66 ILE HG13 . . 3.640 2.525 2.195 3.385 . 0 0 "[ . 1 . ]" 1
968 1 66 ILE HA 1 67 LYS H . . 3.000 2.221 2.116 2.338 . 0 0 "[ . 1 . ]" 1
969 1 66 ILE HB 1 66 ILE MD . . 3.490 2.450 2.313 3.210 . 0 0 "[ . 1 . ]" 1
970 1 66 ILE HB 1 67 LYS H . . 4.740 4.126 3.970 4.443 . 0 0 "[ . 1 . ]" 1
971 1 66 ILE HB 1 81 ILE MD . . 3.470 2.341 2.042 3.049 . 0 0 "[ . 1 . ]" 1
972 1 66 ILE MD 1 66 ILE MG . . 2.930 2.136 2.020 2.346 . 0 0 "[ . 1 . ]" 1
973 1 66 ILE MD 1 67 LYS H . . 5.400 4.216 3.273 5.068 . 0 0 "[ . 1 . ]" 1
974 1 66 ILE MD 1 68 LEU QD . . 3.860 2.879 2.084 3.670 . 0 0 "[ . 1 . ]" 1
975 1 66 ILE MD 1 91 TRP HE1 . . 5.010 2.611 1.861 3.585 . 0 0 "[ . 1 . ]" 1
976 1 66 ILE MD 1 91 TRP HH2 . . 4.940 3.882 3.344 4.570 . 0 0 "[ . 1 . ]" 1
977 1 66 ILE MD 1 91 TRP HZ2 . . 2.990 2.199 2.046 2.499 . 0 0 "[ . 1 . ]" 1
978 1 66 ILE HG12 1 67 LYS H . . 4.130 3.017 2.385 3.749 . 0 0 "[ . 1 . ]" 1
979 1 66 ILE HG12 1 67 LYS HB2 . . 5.500 5.377 5.009 5.584 0.084 1 0 "[ . 1 . ]" 1
980 1 66 ILE HG13 1 67 LYS H . . 4.050 2.856 2.404 4.085 0.035 4 0 "[ . 1 . ]" 1
981 1 66 ILE HG13 1 68 LEU QD . . 5.460 3.855 3.087 4.798 . 0 0 "[ . 1 . ]" 1
982 1 66 ILE MG 1 67 LYS H . . 5.500 4.129 3.803 4.402 . 0 0 "[ . 1 . ]" 1
983 1 66 ILE MG 1 67 LYS HA . . 5.020 4.235 3.769 4.629 . 0 0 "[ . 1 . ]" 1
984 1 66 ILE MG 1 79 TYR H . . 3.610 2.808 2.285 3.321 . 0 0 "[ . 1 . ]" 1
985 1 66 ILE MG 1 79 TYR HB2 . . 4.090 2.865 2.058 4.522 0.432 16 0 "[ . 1 . ]" 1
986 1 66 ILE MG 1 80 HIS H . . 5.500 4.692 4.432 4.938 . 0 0 "[ . 1 . ]" 1
987 1 66 ILE MG 1 81 ILE MD . . 3.310 2.647 2.294 3.144 . 0 0 "[ . 1 . ]" 1
988 1 66 ILE MG 1 81 ILE QG . . 4.020 2.129 1.944 2.442 . 0 0 "[ . 1 . ]" 1
989 1 66 ILE MG 1 91 TRP HE1 . . 5.180 2.833 2.271 3.800 . 0 0 "[ . 1 . ]" 1
990 1 66 ILE MG 1 91 TRP HE3 . . 5.340 4.774 4.471 5.106 . 0 0 "[ . 1 . ]" 1
991 1 66 ILE MG 1 91 TRP HH2 . . 3.870 3.799 3.432 3.967 0.097 3 0 "[ . 1 . ]" 1
992 1 66 ILE MG 1 91 TRP HZ2 . . 3.720 2.612 2.342 3.180 . 0 0 "[ . 1 . ]" 1
993 1 66 ILE MG 1 91 TRP HZ3 . . 5.110 4.736 4.373 4.994 . 0 0 "[ . 1 . ]" 1
994 1 67 LYS H 1 67 LYS HB3 . . 4.040 3.814 3.541 3.935 . 0 0 "[ . 1 . ]" 1
995 1 67 LYS H 1 67 LYS QG . . 4.180 3.180 2.172 3.771 . 0 0 "[ . 1 . ]" 1
996 1 67 LYS H 1 69 TYR QE . . 5.500 4.376 3.715 5.036 . 0 0 "[ . 1 . ]" 1
997 1 67 LYS HA 1 67 LYS QG . . 3.590 2.410 2.105 2.826 . 0 0 "[ . 1 . ]" 1
998 1 67 LYS HA 1 68 LEU H . . 2.630 2.257 2.107 2.433 . 0 0 "[ . 1 . ]" 1
999 1 67 LYS HA 1 68 LEU QD . . 4.390 3.337 2.849 4.060 . 0 0 "[ . 1 . ]" 1
1000 1 67 LYS HA 1 69 TYR QE . . 5.260 4.990 4.546 5.384 0.124 18 0 "[ . 1 . ]" 1
1001 1 67 LYS HA 1 77 GLU H . . 5.500 4.765 4.360 5.266 . 0 0 "[ . 1 . ]" 1
1002 1 67 LYS HA 1 78 GLN HA . . 3.010 2.191 1.909 2.544 . 0 0 "[ . 1 . ]" 1
1003 1 67 LYS HA 1 78 GLN HB2 . . 5.110 3.824 3.232 4.529 . 0 0 "[ . 1 . ]" 1
1004 1 67 LYS HA 1 78 GLN HB3 . . 4.790 3.517 2.885 4.108 . 0 0 "[ . 1 . ]" 1
1005 1 67 LYS HA 1 79 TYR H . . 4.290 3.682 3.354 4.100 . 0 0 "[ . 1 . ]" 1
1006 1 67 LYS HB2 1 68 LEU H . . 5.030 3.831 3.149 4.416 . 0 0 "[ . 1 . ]" 1
1007 1 67 LYS HB2 1 78 GLN HA . . 4.780 4.769 4.433 4.873 0.093 7 0 "[ . 1 . ]" 1
1008 1 67 LYS HB3 1 78 GLN HA . . 4.280 3.840 3.296 4.360 0.080 15 0 "[ . 1 . ]" 1
1009 1 67 LYS QD 1 78 GLN HA . . 4.170 4.079 3.682 4.278 0.108 9 0 "[ . 1 . ]" 1
1010 1 67 LYS QE 1 69 TYR QE . . 5.500 4.524 3.061 5.566 0.066 3 0 "[ . 1 . ]" 1
1011 1 67 LYS QE 1 78 GLN QE . . 5.500 4.326 3.056 4.923 . 0 0 "[ . 1 . ]" 1
1012 1 67 LYS QG 1 78 GLN HA . . 4.530 2.637 2.108 3.205 . 0 0 "[ . 1 . ]" 1
1013 1 67 LYS QG 1 78 GLN QE . . 5.500 4.517 3.631 5.018 . 0 0 "[ . 1 . ]" 1
1014 1 67 LYS QG 1 79 TYR H . . 5.290 3.832 3.472 4.272 . 0 0 "[ . 1 . ]" 1
1015 1 68 LEU H 1 68 LEU HB3 . . 3.900 3.603 3.346 3.814 . 0 0 "[ . 1 . ]" 1
1016 1 68 LEU H 1 68 LEU QD . . 3.910 2.863 2.421 3.663 . 0 0 "[ . 1 . ]" 1
1017 1 68 LEU H 1 68 LEU HG . . 4.350 3.988 2.931 4.429 0.079 8 0 "[ . 1 . ]" 1
1018 1 68 LEU H 1 69 TYR H . . 5.500 4.392 4.252 4.620 . 0 0 "[ . 1 . ]" 1
1019 1 68 LEU H 1 76 THR H . . 5.230 4.102 3.371 5.050 . 0 0 "[ . 1 . ]" 1
1020 1 68 LEU H 1 77 GLU H . . 4.140 3.173 2.771 4.048 . 0 0 "[ . 1 . ]" 1
1021 1 68 LEU H 1 78 GLN HA . . 4.440 3.606 3.098 4.085 . 0 0 "[ . 1 . ]" 1
1022 1 68 LEU HA 1 68 LEU QD . . 3.540 2.315 1.934 3.057 . 0 0 "[ . 1 . ]" 1
1023 1 68 LEU HA 1 69 TYR H . . 3.070 2.212 2.052 2.319 . 0 0 "[ . 1 . ]" 1
1024 1 68 LEU HB3 1 68 LEU QD . . 3.010 2.262 2.058 2.508 . 0 0 "[ . 1 . ]" 1
1025 1 68 LEU HB3 1 69 TYR H . . 4.170 3.200 2.634 3.650 . 0 0 "[ . 1 . ]" 1
1026 1 68 LEU QD 1 69 TYR H . . 5.390 3.455 2.598 4.015 . 0 0 "[ . 1 . ]" 1
1027 1 68 LEU QD 1 76 THR MG . . 5.410 4.566 3.678 5.227 . 0 0 "[ . 1 . ]" 1
1028 1 68 LEU QD 1 77 GLU H . . 5.500 4.112 3.711 4.803 . 0 0 "[ . 1 . ]" 1
1029 1 68 LEU QD 1 77 GLU QB . . 4.400 2.969 2.264 4.075 . 0 0 "[ . 1 . ]" 1
1030 1 68 LEU QD 1 78 GLN HA . . 3.870 3.892 3.550 3.958 0.088 15 0 "[ . 1 . ]" 1
1031 1 68 LEU QD 1 91 TRP HD1 . . 3.990 4.014 3.822 4.057 0.067 15 0 "[ . 1 . ]" 1
1032 1 68 LEU HG 1 69 TYR H . . 5.500 4.833 4.181 5.302 . 0 0 "[ . 1 . ]" 1
1033 1 69 TYR H 1 69 TYR HB2 . . 3.630 2.532 2.292 3.828 0.198 18 0 "[ . 1 . ]" 1
1034 1 69 TYR H 1 69 TYR HB3 . . 4.060 3.626 3.525 3.753 . 0 0 "[ . 1 . ]" 1
1035 1 69 TYR H 1 69 TYR QD . . 3.310 2.850 2.362 3.387 0.077 7 0 "[ . 1 . ]" 1
1036 1 69 TYR H 1 70 ASP H . . 4.950 4.431 4.225 4.617 . 0 0 "[ . 1 . ]" 1
1037 1 69 TYR HA 1 69 TYR QD . . 3.630 3.075 2.569 3.596 . 0 0 "[ . 1 . ]" 1
1038 1 69 TYR HA 1 70 ASP H . . 2.960 2.275 2.050 2.582 . 0 0 "[ . 1 . ]" 1
1039 1 69 TYR HA 1 70 ASP HA . . 4.580 4.428 4.320 4.505 . 0 0 "[ . 1 . ]" 1
1040 1 69 TYR HA 1 74 HIS H . . 5.090 4.405 3.829 5.186 0.096 18 0 "[ . 1 . ]" 1
1041 1 69 TYR HA 1 75 CYS HA . . 3.220 2.456 2.032 2.920 . 0 0 "[ . 1 . ]" 1
1042 1 69 TYR HA 1 75 CYS QB . . 5.170 4.160 3.457 4.639 . 0 0 "[ . 1 . ]" 1
1043 1 69 TYR HA 1 76 THR H . . 3.490 3.005 2.202 3.567 0.077 2 0 "[ . 1 . ]" 1
1044 1 69 TYR HA 1 76 THR MG . . 4.070 2.976 2.035 3.563 . 0 0 "[ . 1 . ]" 1
1045 1 69 TYR HA 1 77 GLU H . . 5.410 4.872 3.950 5.438 0.028 15 0 "[ . 1 . ]" 1
1046 1 69 TYR HB2 1 70 ASP H . . 4.220 3.928 1.520 4.305 0.085 14 0 "[ . 1 . ]" 1
1047 1 69 TYR HB2 1 73 GLU HA . . 4.350 4.004 3.692 4.408 0.058 13 0 "[ . 1 . ]" 1
1048 1 69 TYR HB3 1 70 ASP H . . 3.730 2.904 2.330 3.429 . 0 0 "[ . 1 . ]" 1
1049 1 69 TYR HB3 1 73 GLU H . . 5.310 4.015 3.239 4.288 . 0 0 "[ . 1 . ]" 1
1050 1 69 TYR HB3 1 73 GLU HA . . 3.630 2.515 2.135 4.311 0.681 18 1 "[ . 1 . + ]" 1
1051 1 69 TYR HB3 1 74 HIS H . . 4.800 4.107 3.044 4.781 . 0 0 "[ . 1 . ]" 1
1052 1 69 TYR HB3 1 76 THR MG . . 5.320 4.897 3.054 5.423 0.103 10 0 "[ . 1 . ]" 1
1053 1 69 TYR QD 1 70 ASP H . . 5.370 3.853 3.340 4.365 . 0 0 "[ . 1 . ]" 1
1054 1 69 TYR QD 1 73 GLU H . . 4.700 4.537 3.045 4.797 0.097 6 0 "[ . 1 . ]" 1
1055 1 69 TYR QD 1 73 GLU HA . . 3.680 2.730 2.289 3.810 0.130 18 0 "[ . 1 . ]" 1
1056 1 69 TYR QD 1 74 HIS H . . 4.230 3.633 2.090 4.206 . 0 0 "[ . 1 . ]" 1
1057 1 69 TYR QD 1 75 CYS H . . 4.090 3.134 2.185 4.167 0.077 4 0 "[ . 1 . ]" 1
1058 1 69 TYR QD 1 75 CYS HA . . 3.840 3.298 2.556 3.722 . 0 0 "[ . 1 . ]" 1
1059 1 69 TYR QD 1 76 THR H . . 5.500 4.800 4.032 5.378 . 0 0 "[ . 1 . ]" 1
1060 1 69 TYR QE 1 74 HIS H . . 5.500 5.245 3.522 5.584 0.084 6 0 "[ . 1 . ]" 1
1061 1 69 TYR QE 1 74 HIS HA . . 4.020 3.831 2.911 4.118 0.098 10 0 "[ . 1 . ]" 1
1062 1 69 TYR QE 1 75 CYS H . . 3.670 3.390 2.652 3.759 0.089 4 0 "[ . 1 . ]" 1
1063 1 69 TYR QE 1 75 CYS QB . . 3.340 2.917 2.248 3.347 0.007 18 0 "[ . 1 . ]" 1
1064 1 70 ASP H 1 70 ASP QB . . 3.810 2.556 2.249 3.017 . 0 0 "[ . 1 . ]" 1
1065 1 70 ASP H 1 73 GLU H . . 5.500 3.607 2.337 4.990 . 0 0 "[ . 1 . ]" 1
1066 1 70 ASP H 1 74 HIS HA . . 5.240 5.180 4.814 5.353 0.113 18 0 "[ . 1 . ]" 1
1067 1 70 ASP H 1 75 CYS HA . . 4.360 4.087 3.420 4.471 0.111 18 0 "[ . 1 . ]" 1
1068 1 70 ASP H 1 76 THR H . . 4.640 4.215 3.606 4.720 0.080 1 0 "[ . 1 . ]" 1
1069 1 70 ASP H 1 76 THR MG . . 3.880 3.020 2.442 3.970 0.090 19 0 "[ . 1 . ]" 1
1070 1 70 ASP HA 1 71 LYS H . . 3.110 2.631 2.341 2.816 . 0 0 "[ . 1 . ]" 1
1071 1 70 ASP HA 1 71 LYS HA . . 4.450 4.359 4.243 4.513 0.063 1 0 "[ . 1 . ]" 1
1072 1 70 ASP HA 1 71 LYS QD . . 4.900 3.759 3.059 4.192 . 0 0 "[ . 1 . ]" 1
1073 1 70 ASP HA 1 72 GLU H . . 5.430 4.467 3.763 4.899 . 0 0 "[ . 1 . ]" 1
1074 1 70 ASP HA 1 76 THR MG . . 4.740 3.914 3.147 4.671 . 0 0 "[ . 1 . ]" 1
1075 1 70 ASP QB 1 71 LYS H . . 3.250 1.930 1.782 2.223 . 0 0 "[ . 1 . ]" 1
1076 1 70 ASP QB 1 71 LYS QD . . 2.840 2.541 2.273 2.886 0.046 12 0 "[ . 1 . ]" 1
1077 1 70 ASP QB 1 72 GLU H . . 4.330 3.022 2.009 4.127 . 0 0 "[ . 1 . ]" 1
1078 1 70 ASP QB 1 76 THR MG . . 4.090 2.928 2.043 3.818 . 0 0 "[ . 1 . ]" 1
1079 1 71 LYS H 1 71 LYS QB . . 2.920 2.711 2.382 2.989 0.069 14 0 "[ . 1 . ]" 1
1080 1 71 LYS H 1 71 LYS QD . . 4.630 1.922 1.736 2.332 . 0 0 "[ . 1 . ]" 1
1081 1 71 LYS H 1 71 LYS HG2 . . 4.690 3.597 2.727 4.545 . 0 0 "[ . 1 . ]" 1
1082 1 71 LYS H 1 72 GLU H . . 3.670 2.753 2.346 3.769 0.099 14 0 "[ . 1 . ]" 1
1083 1 71 LYS HA 1 71 LYS QB . . 2.660 2.236 2.128 2.532 . 0 0 "[ . 1 . ]" 1
1084 1 71 LYS HA 1 71 LYS QD . . 3.880 3.730 2.904 3.964 0.084 19 0 "[ . 1 . ]" 1
1085 1 71 LYS QB 1 71 LYS QD . . 2.990 2.378 2.140 2.757 . 0 0 "[ . 1 . ]" 1
1086 1 71 LYS QB 1 72 GLU H . . 4.080 3.244 2.229 4.035 . 0 0 "[ . 1 . ]" 1
1087 1 71 LYS QD 1 71 LYS HG2 . . 2.400 2.375 2.158 2.518 0.118 13 0 "[ . 1 . ]" 1
1088 1 72 GLU H 1 72 GLU QB . . 3.450 2.303 2.045 2.723 . 0 0 "[ . 1 . ]" 1
1089 1 72 GLU H 1 72 GLU QG . . 3.520 3.048 2.454 3.607 0.087 14 0 "[ . 1 . ]" 1
1090 1 72 GLU HA 1 72 GLU QG . . 2.900 2.427 2.157 2.834 . 0 0 "[ . 1 . ]" 1
1091 1 72 GLU HA 1 74 HIS H . . 5.330 4.671 3.626 5.285 . 0 0 "[ . 1 . ]" 1
1092 1 72 GLU QB 1 73 GLU H . . 4.620 3.500 2.971 3.925 . 0 0 "[ . 1 . ]" 1
1093 1 72 GLU QB 1 74 HIS H . . 4.590 3.406 2.824 4.263 . 0 0 "[ . 1 . ]" 1
1094 1 72 GLU QB 1 74 HIS QB . . 5.340 3.597 2.809 5.216 . 0 0 "[ . 1 . ]" 1
1095 1 72 GLU QB 1 74 HIS HE1 . . 3.800 3.025 2.461 3.646 . 0 0 "[ . 1 . ]" 1
1096 1 73 GLU H 1 73 GLU HA . . 2.810 2.215 2.157 2.620 . 0 0 "[ . 1 . ]" 1
1097 1 73 GLU H 1 73 GLU QG . . 3.910 3.016 2.317 3.933 0.023 15 0 "[ . 1 . ]" 1
1098 1 73 GLU H 1 74 HIS H . . 3.510 2.876 2.239 3.295 . 0 0 "[ . 1 . ]" 1
1099 1 73 GLU HA 1 73 GLU HB2 . . 2.920 2.841 2.360 3.055 0.135 6 0 "[ . 1 . ]" 1
1100 1 73 GLU HA 1 73 GLU QG . . 3.250 2.539 2.166 3.353 0.103 10 0 "[ . 1 . ]" 1
1101 1 73 GLU HA 1 74 HIS H . . 3.520 2.809 2.425 3.130 . 0 0 "[ . 1 . ]" 1
1102 1 73 GLU HB2 1 74 HIS H . . 4.790 4.388 3.865 4.681 . 0 0 "[ . 1 . ]" 1
1103 1 74 HIS H 1 74 HIS QB . . 3.420 2.755 2.295 3.065 . 0 0 "[ . 1 . ]" 1
1104 1 74 HIS H 1 74 HIS HB3 . . 3.240 3.047 2.696 3.599 0.359 7 0 "[ . 1 . ]" 1
1105 1 74 HIS H 1 74 HIS HD2 . . 5.500 4.021 2.034 5.185 . 0 0 "[ . 1 . ]" 1
1106 1 74 HIS H 1 75 CYS H . . 5.070 3.674 2.391 4.548 . 0 0 "[ . 1 . ]" 1
1107 1 74 HIS H 1 75 CYS HA . . 5.500 4.946 4.263 5.390 . 0 0 "[ . 1 . ]" 1
1108 1 74 HIS H 1 76 THR MG . . 5.500 4.803 3.851 5.601 0.101 17 0 "[ . 1 . ]" 1
1109 1 74 HIS HA 1 75 CYS H . . 3.030 2.554 2.082 3.103 0.073 11 0 "[ . 1 . ]" 1
1110 1 74 HIS QB 1 75 CYS H . . 5.220 3.408 2.394 4.001 . 0 0 "[ . 1 . ]" 1
1111 1 74 HIS HB2 1 74 HIS HD2 . . 3.770 3.073 2.575 3.829 0.059 12 0 "[ . 1 . ]" 1
1112 1 74 HIS HB2 1 75 CYS H . . 4.350 3.789 2.419 4.424 0.074 3 0 "[ . 1 . ]" 1
1113 1 74 HIS HB3 1 74 HIS HE1 . . 4.980 4.915 4.757 5.332 0.352 13 0 "[ . 1 . ]" 1
1114 1 74 HIS HD2 1 76 THR MG . . 4.140 3.952 2.696 4.258 0.118 18 0 "[ . 1 . ]" 1
1115 1 75 CYS H 1 75 CYS QB . . 3.340 2.884 2.176 3.220 . 0 0 "[ . 1 . ]" 1
1116 1 75 CYS H 1 76 THR MG . . 5.500 4.689 3.847 5.578 0.078 8 0 "[ . 1 . ]" 1
1117 1 75 CYS HA 1 76 THR H . . 2.930 2.273 2.155 2.702 . 0 0 "[ . 1 . ]" 1
1118 1 75 CYS HA 1 77 GLU H . . 4.500 4.009 3.473 4.419 . 0 0 "[ . 1 . ]" 1
1119 1 75 CYS QB 1 76 THR H . . 4.470 3.405 2.048 3.977 . 0 0 "[ . 1 . ]" 1
1120 1 76 THR H 1 76 THR MG . . 3.520 2.216 1.792 2.917 . 0 0 "[ . 1 . ]" 1
1121 1 76 THR H 1 77 GLU H . . 3.110 2.397 1.855 3.147 0.037 3 0 "[ . 1 . ]" 1
1122 1 76 THR H 1 77 GLU QB . . 5.500 4.703 4.135 5.332 . 0 0 "[ . 1 . ]" 1
1123 1 76 THR HA 1 76 THR MG . . 3.290 2.766 2.261 3.265 . 0 0 "[ . 1 . ]" 1
1124 1 76 THR HB 1 77 GLU QG . . 4.950 4.156 2.716 5.035 0.085 9 0 "[ . 1 . ]" 1
1125 1 76 THR MG 1 77 GLU H . . 4.670 3.169 2.119 3.960 . 0 0 "[ . 1 . ]" 1
1126 1 76 THR MG 1 77 GLU QG . . 5.500 4.098 2.404 5.312 . 0 0 "[ . 1 . ]" 1
1127 1 77 GLU H 1 77 GLU QB . . 3.460 2.629 2.273 3.260 . 0 0 "[ . 1 . ]" 1
1128 1 77 GLU H 1 77 GLU QG . . 5.060 3.360 2.738 3.825 . 0 0 "[ . 1 . ]" 1
1129 1 77 GLU H 1 78 GLN H . . 5.180 4.413 4.264 4.554 . 0 0 "[ . 1 . ]" 1
1130 1 77 GLU H 1 78 GLN HA . . 4.880 4.827 4.590 4.964 0.084 8 0 "[ . 1 . ]" 1
1131 1 77 GLU HA 1 77 GLU QG . . 3.580 2.402 2.145 3.397 . 0 0 "[ . 1 . ]" 1
1132 1 77 GLU HA 1 78 GLN H . . 2.890 2.409 2.179 2.677 . 0 0 "[ . 1 . ]" 1
1133 1 77 GLU HA 1 78 GLN HG2 . . 4.890 4.097 3.235 4.937 0.047 6 0 "[ . 1 . ]" 1
1134 1 77 GLU HA 1 100 ASN QD . . 3.950 2.560 2.069 3.607 . 0 0 "[ . 1 . ]" 1
1135 1 77 GLU QB 1 78 GLN H . . 3.540 2.523 2.035 3.057 . 0 0 "[ . 1 . ]" 1
1136 1 77 GLU QB 1 78 GLN HA . . 4.220 3.951 3.630 4.195 . 0 0 "[ . 1 . ]" 1
1137 1 77 GLU QB 1 100 ASN QD . . 5.140 3.053 1.802 3.915 . 0 0 "[ . 1 . ]" 1
1138 1 77 GLU QG 1 100 ASN HA . . 4.020 3.611 1.970 4.123 0.103 7 0 "[ . 1 . ]" 1
1139 1 77 GLU QG 1 100 ASN QD . . 4.480 2.844 1.813 3.647 . 0 0 "[ . 1 . ]" 1
1140 1 78 GLN H 1 78 GLN HB2 . . 4.090 3.851 3.723 4.050 . 0 0 "[ . 1 . ]" 1
1141 1 78 GLN H 1 78 GLN QE . . 5.340 4.032 2.092 4.999 . 0 0 "[ . 1 . ]" 1
1142 1 78 GLN H 1 78 GLN HG2 . . 4.710 2.780 2.033 4.026 . 0 0 "[ . 1 . ]" 1
1143 1 78 GLN H 1 78 GLN HG3 . . 4.720 3.244 2.418 4.111 . 0 0 "[ . 1 . ]" 1
1144 1 78 GLN H 1 79 TYR H . . 5.420 4.235 3.745 4.465 . 0 0 "[ . 1 . ]" 1
1145 1 78 GLN H 1 95 SER H . . 5.500 5.444 4.794 5.592 0.092 9 0 "[ . 1 . ]" 1
1146 1 78 GLN H 1 100 ASN QD . . 4.980 2.375 1.801 2.816 . 0 0 "[ . 1 . ]" 1
1147 1 78 GLN HA 1 78 GLN QE . . 5.500 4.694 3.986 5.194 . 0 0 "[ . 1 . ]" 1
1148 1 78 GLN HA 1 78 GLN HG3 . . 3.970 3.858 3.654 4.069 0.099 10 0 "[ . 1 . ]" 1
1149 1 78 GLN HA 1 79 TYR H . . 3.070 2.371 2.240 2.520 . 0 0 "[ . 1 . ]" 1
1150 1 78 GLN HB2 1 79 TYR H . . 4.040 3.148 2.512 3.849 . 0 0 "[ . 1 . ]" 1
1151 1 78 GLN HB2 1 94 ALA MB . . 4.590 4.192 3.339 4.665 0.075 16 0 "[ . 1 . ]" 1
1152 1 78 GLN HB3 1 78 GLN HG3 . . 2.960 2.925 2.519 3.028 0.068 13 0 "[ . 1 . ]" 1
1153 1 78 GLN HB3 1 79 TYR H . . 4.600 4.213 3.895 4.487 . 0 0 "[ . 1 . ]" 1
1154 1 78 GLN QE 1 94 ALA MB . . 5.500 3.739 1.894 5.046 . 0 0 "[ . 1 . ]" 1
1155 1 78 GLN QE 1 95 SER H . . 5.500 4.164 2.797 4.968 . 0 0 "[ . 1 . ]" 1
1156 1 78 GLN QE 1 95 SER HA . . 5.500 4.484 3.361 5.112 . 0 0 "[ . 1 . ]" 1
1157 1 78 GLN QE 1 95 SER HB2 . . 4.610 2.550 2.054 2.897 . 0 0 "[ . 1 . ]" 1
1158 1 78 GLN QE 1 95 SER HB3 . . 4.640 3.208 2.438 3.934 . 0 0 "[ . 1 . ]" 1
1159 1 78 GLN QE 1 100 ASN QD . . 5.500 3.745 2.245 4.774 . 0 0 "[ . 1 . ]" 1
1160 1 78 GLN HG2 1 95 SER HB2 . . 4.920 3.570 2.784 4.953 0.033 16 0 "[ . 1 . ]" 1
1161 1 78 GLN HG3 1 79 TYR HA . . 5.400 4.323 3.280 5.223 . 0 0 "[ . 1 . ]" 1
1162 1 78 GLN HG3 1 94 ALA MB . . 4.080 3.333 2.325 4.201 0.121 16 0 "[ . 1 . ]" 1
1163 1 78 GLN HG3 1 95 SER H . . 4.660 3.834 3.198 4.589 . 0 0 "[ . 1 . ]" 1
1164 1 79 TYR H 1 79 TYR HB3 . . 4.030 3.779 2.719 4.012 . 0 0 "[ . 1 . ]" 1
1165 1 79 TYR H 1 80 HIS H . . 4.980 4.366 4.242 4.540 . 0 0 "[ . 1 . ]" 1
1166 1 79 TYR H 1 91 TRP HE1 . . 5.500 5.553 5.352 5.601 0.101 1 0 "[ . 1 . ]" 1
1167 1 79 TYR H 1 94 ALA MB . . 5.500 4.398 3.888 5.086 . 0 0 "[ . 1 . ]" 1
1168 1 79 TYR HA 1 80 HIS H . . 3.020 2.288 2.235 2.381 . 0 0 "[ . 1 . ]" 1
1169 1 79 TYR HA 1 94 ALA MB . . 4.800 2.844 2.123 4.004 . 0 0 "[ . 1 . ]" 1
1170 1 79 TYR HA 1 95 SER H . . 5.500 4.480 3.958 5.374 . 0 0 "[ . 1 . ]" 1
1171 1 79 TYR HB2 1 80 HIS H . . 3.950 3.602 2.597 4.027 0.077 18 0 "[ . 1 . ]" 1
1172 1 79 TYR HB2 1 80 HIS HA . . 5.080 4.929 4.473 5.799 0.719 16 1 "[ . 1 .+ ]" 1
1173 1 79 TYR HB2 1 91 TRP HA . . 4.700 3.964 3.264 4.990 0.290 16 0 "[ . 1 . ]" 1
1174 1 79 TYR HB2 1 91 TRP QB . . 3.730 3.213 2.179 3.814 0.084 10 0 "[ . 1 . ]" 1
1175 1 79 TYR HB2 1 91 TRP HE1 . . 5.360 4.083 3.321 5.431 0.071 11 0 "[ . 1 . ]" 1
1176 1 79 TYR HB2 1 92 GLU H . . 5.500 4.655 3.016 5.541 0.041 9 0 "[ . 1 . ]" 1
1177 1 79 TYR HB3 1 80 HIS H . . 4.660 2.981 2.518 3.515 . 0 0 "[ . 1 . ]" 1
1178 1 79 TYR HB3 1 80 HIS HB2 . . 5.380 5.185 4.730 5.634 0.254 16 0 "[ . 1 . ]" 1
1179 1 79 TYR HB3 1 91 TRP HA . . 4.910 3.559 2.840 4.991 0.081 6 0 "[ . 1 . ]" 1
1180 1 79 TYR HB3 1 91 TRP QB . . 4.430 2.710 2.183 3.934 . 0 0 "[ . 1 . ]" 1
1181 1 80 HIS H 1 80 HIS HB2 . . 3.600 2.305 2.163 2.460 . 0 0 "[ . 1 . ]" 1
1182 1 80 HIS H 1 80 HIS HB3 . . 3.620 3.334 2.956 3.589 . 0 0 "[ . 1 . ]" 1
1183 1 80 HIS H 1 81 ILE H . . 5.500 4.450 2.586 4.658 . 0 0 "[ . 1 . ]" 1
1184 1 80 HIS H 1 82 LEU HG . . 5.500 5.348 4.959 5.583 0.083 16 0 "[ . 1 . ]" 1
1185 1 80 HIS H 1 91 TRP HA . . 5.460 4.308 3.797 5.024 . 0 0 "[ . 1 . ]" 1
1186 1 80 HIS H 1 91 TRP HB3 . . 5.500 4.869 4.220 5.558 0.058 11 0 "[ . 1 . ]" 1
1187 1 80 HIS H 1 92 GLU H . . 4.400 3.249 2.857 4.486 0.086 16 0 "[ . 1 . ]" 1
1188 1 80 HIS H 1 92 GLU QB . . 5.480 3.217 2.571 4.250 . 0 0 "[ . 1 . ]" 1
1189 1 80 HIS H 1 93 ASN H . . 5.490 4.866 4.599 5.452 . 0 0 "[ . 1 . ]" 1
1190 1 80 HIS H 1 93 ASN HA . . 4.530 4.536 4.341 4.631 0.101 16 0 "[ . 1 . ]" 1
1191 1 80 HIS H 1 94 ALA H . . 4.490 4.243 3.814 4.542 0.052 16 0 "[ . 1 . ]" 1
1192 1 80 HIS H 1 94 ALA MB . . 4.620 2.509 2.174 3.128 . 0 0 "[ . 1 . ]" 1
1193 1 80 HIS HA 1 80 HIS HD2 . . 4.490 4.046 2.525 4.564 0.074 9 0 "[ . 1 . ]" 1
1194 1 80 HIS HA 1 81 ILE H . . 3.070 2.324 2.126 3.159 0.089 12 0 "[ . 1 . ]" 1
1195 1 80 HIS HA 1 94 ALA MB . . 4.940 3.489 3.085 4.092 . 0 0 "[ . 1 . ]" 1
1196 1 80 HIS HB2 1 81 ILE H . . 5.200 4.338 3.673 4.584 . 0 0 "[ . 1 . ]" 1
1197 1 80 HIS HB2 1 82 LEU QD . . 4.370 3.781 3.109 4.279 . 0 0 "[ . 1 . ]" 1
1198 1 80 HIS HB2 1 92 GLU H . . 5.500 3.916 3.294 4.819 . 0 0 "[ . 1 . ]" 1
1199 1 80 HIS HB2 1 92 GLU QB . . 3.700 2.510 2.168 3.756 0.056 16 0 "[ . 1 . ]" 1
1200 1 80 HIS HB3 1 81 ILE H . . 4.460 3.377 2.305 3.932 . 0 0 "[ . 1 . ]" 1
1201 1 80 HIS HB3 1 82 LEU QD . . 4.100 2.830 2.240 3.562 . 0 0 "[ . 1 . ]" 1
1202 1 80 HIS HB3 1 92 GLU QB . . 3.670 2.783 2.145 3.785 0.115 16 0 "[ . 1 . ]" 1
1203 1 80 HIS HB3 1 94 ALA MB . . 5.500 3.773 3.570 4.539 . 0 0 "[ . 1 . ]" 1
1204 1 80 HIS HE1 1 94 ALA MB . . 4.930 4.506 3.254 5.027 0.097 10 0 "[ . 1 . ]" 1
1205 1 81 ILE H 1 81 ILE QG . . 4.200 2.454 2.128 3.407 . 0 0 "[ . 1 . ]" 1
1206 1 81 ILE H 1 81 ILE MG . . 4.410 3.834 3.770 4.083 . 0 0 "[ . 1 . ]" 1
1207 1 81 ILE HA 1 81 ILE MG . . 3.150 2.421 2.250 2.597 . 0 0 "[ . 1 . ]" 1
1208 1 81 ILE HA 1 82 LEU H . . 2.980 2.247 2.120 2.381 . 0 0 "[ . 1 . ]" 1
1209 1 81 ILE HA 1 82 LEU HG . . 4.270 4.244 3.821 4.349 0.079 1 0 "[ . 1 . ]" 1
1210 1 81 ILE HA 1 83 LYS H . . 4.470 3.976 3.655 4.411 . 0 0 "[ . 1 . ]" 1
1211 1 81 ILE HA 1 90 LYS H . . 5.240 5.067 4.590 5.323 0.083 16 0 "[ . 1 . ]" 1
1212 1 81 ILE HA 1 91 TRP HA . . 3.880 3.315 2.416 3.979 0.099 16 0 "[ . 1 . ]" 1
1213 1 81 ILE HA 1 91 TRP HE3 . . 3.220 3.014 2.676 3.324 0.104 16 0 "[ . 1 . ]" 1
1214 1 81 ILE HA 1 91 TRP HZ3 . . 5.210 3.214 2.283 3.840 . 0 0 "[ . 1 . ]" 1
1215 1 81 ILE HB 1 82 LEU H . . 5.500 4.384 3.969 4.584 . 0 0 "[ . 1 . ]" 1
1216 1 81 ILE MD 1 81 ILE MG . . 2.950 2.142 2.049 3.055 0.105 7 0 "[ . 1 . ]" 1
1217 1 81 ILE MD 1 91 TRP HE3 . . 5.350 5.250 4.763 5.437 0.087 19 0 "[ . 1 . ]" 1
1218 1 81 ILE MD 1 91 TRP HZ3 . . 5.370 3.900 3.464 4.269 . 0 0 "[ . 1 . ]" 1
1219 1 81 ILE QG 1 91 TRP HE1 . . 5.400 4.876 4.240 5.214 . 0 0 "[ . 1 . ]" 1
1220 1 81 ILE QG 1 91 TRP HE3 . . 4.170 3.971 3.377 4.133 . 0 0 "[ . 1 . ]" 1
1221 1 81 ILE MG 1 82 LEU H . . 3.950 3.203 2.180 3.722 . 0 0 "[ . 1 . ]" 1
1222 1 81 ILE MG 1 83 LYS H . . 3.300 3.292 3.065 3.413 0.113 19 0 "[ . 1 . ]" 1
1223 1 81 ILE MG 1 84 LEU H . . 5.070 4.178 3.428 4.753 . 0 0 "[ . 1 . ]" 1
1224 1 81 ILE MG 1 84 LEU HB2 . . 3.530 3.032 2.528 3.632 0.102 1 0 "[ . 1 . ]" 1
1225 1 81 ILE MG 1 89 MET HG3 . . 4.080 4.151 3.750 4.195 0.115 17 0 "[ . 1 . ]" 1
1226 1 81 ILE MG 1 90 LYS H . . 4.730 4.524 3.816 4.829 0.099 13 0 "[ . 1 . ]" 1
1227 1 81 ILE MG 1 91 TRP HE3 . . 4.100 3.576 2.937 3.987 . 0 0 "[ . 1 . ]" 1
1228 1 81 ILE MG 1 91 TRP HZ2 . . 5.290 4.594 4.191 5.348 0.058 7 0 "[ . 1 . ]" 1
1229 1 82 LEU H 1 82 LEU HB2 . . 3.670 2.654 2.370 3.129 . 0 0 "[ . 1 . ]" 1
1230 1 82 LEU H 1 82 LEU QD . . 4.080 3.176 2.866 3.600 . 0 0 "[ . 1 . ]" 1
1231 1 82 LEU H 1 82 LEU HG . . 3.750 2.479 1.895 3.127 . 0 0 "[ . 1 . ]" 1
1232 1 82 LEU H 1 83 LYS H . . 3.230 2.547 2.148 3.213 . 0 0 "[ . 1 . ]" 1
1233 1 82 LEU H 1 90 LYS QB . . 5.500 3.597 3.103 4.305 . 0 0 "[ . 1 . ]" 1
1234 1 82 LEU H 1 91 TRP HA . . 4.040 3.683 3.101 4.140 0.100 19 0 "[ . 1 . ]" 1
1235 1 82 LEU H 1 91 TRP HE3 . . 4.370 3.597 2.988 4.320 . 0 0 "[ . 1 . ]" 1
1236 1 82 LEU H 1 92 GLU H . . 5.500 3.728 3.294 4.441 . 0 0 "[ . 1 . ]" 1
1237 1 82 LEU HA 1 82 LEU HB3 . . 2.980 2.415 2.257 2.500 . 0 0 "[ . 1 . ]" 1
1238 1 82 LEU HA 1 82 LEU QD . . 2.880 2.198 2.053 2.527 . 0 0 "[ . 1 . ]" 1
1239 1 82 LEU HB2 1 83 LYS H . . 4.140 2.413 2.137 2.792 . 0 0 "[ . 1 . ]" 1
1240 1 82 LEU HB2 1 90 LYS QB . . 3.830 2.306 2.027 3.699 . 0 0 "[ . 1 . ]" 1
1241 1 82 LEU QD 1 90 LYS QB . . 3.030 2.298 2.023 3.039 0.009 14 0 "[ . 1 . ]" 1
1242 1 82 LEU QD 1 90 LYS QE . . 4.100 3.674 2.061 4.151 0.051 1 0 "[ . 1 . ]" 1
1243 1 82 LEU QD 1 90 LYS HG3 . . 4.960 4.485 2.869 4.941 . 0 0 "[ . 1 . ]" 1
1244 1 82 LEU QD 1 91 TRP H . . 5.500 4.873 4.427 5.298 . 0 0 "[ . 1 . ]" 1
1245 1 82 LEU QD 1 92 GLU H . . 5.110 3.454 3.123 4.264 . 0 0 "[ . 1 . ]" 1
1246 1 82 LEU QD 1 92 GLU QB . . 3.000 2.037 1.912 2.136 . 0 0 "[ . 1 . ]" 1
1247 1 82 LEU QD 1 92 GLU HG2 . . 5.190 3.588 2.235 4.195 . 0 0 "[ . 1 . ]" 1
1248 1 82 LEU QD 1 92 GLU HG3 . . 5.000 3.213 2.192 3.979 . 0 0 "[ . 1 . ]" 1
1249 1 82 LEU HG 1 91 TRP HA . . 4.590 4.309 3.843 4.680 0.090 16 0 "[ . 1 . ]" 1
1250 1 82 LEU HG 1 92 GLU H . . 5.410 3.052 2.697 3.991 . 0 0 "[ . 1 . ]" 1
1251 1 82 LEU HG 1 92 GLU QB . . 3.730 2.385 2.088 2.950 . 0 0 "[ . 1 . ]" 1
1252 1 83 LYS H 1 84 LEU H . . 5.330 4.335 4.045 4.444 . 0 0 "[ . 1 . ]" 1
1253 1 83 LYS H 1 89 MET HA . . 5.500 4.626 4.369 5.037 . 0 0 "[ . 1 . ]" 1
1254 1 83 LYS H 1 89 MET HG3 . . 5.500 5.056 4.434 5.572 0.072 7 0 "[ . 1 . ]" 1
1255 1 83 LYS H 1 90 LYS H . . 3.720 3.084 2.795 3.798 0.078 19 0 "[ . 1 . ]" 1
1256 1 83 LYS H 1 90 LYS QB . . 3.680 2.588 1.930 3.503 . 0 0 "[ . 1 . ]" 1
1257 1 83 LYS H 1 91 TRP HE3 . . 5.500 4.166 3.687 4.831 . 0 0 "[ . 1 . ]" 1
1258 1 83 LYS H 1 91 TRP HZ3 . . 5.500 4.134 3.497 4.955 . 0 0 "[ . 1 . ]" 1
1259 1 83 LYS HA 1 83 LYS HG3 . . 3.390 3.350 2.365 3.864 0.474 6 0 "[ . 1 . ]" 1
1260 1 83 LYS HA 1 84 LEU H . . 2.900 2.352 2.156 2.471 . 0 0 "[ . 1 . ]" 1
1261 1 83 LYS HB2 1 83 LYS HD2 . . 3.460 3.614 2.527 4.116 0.656 9 1 "[ . +1 . ]" 1
1262 1 83 LYS HB2 1 83 LYS HD3 . . 3.930 3.538 2.332 4.298 0.368 17 0 "[ . 1 . ]" 1
1263 1 83 LYS HB2 1 84 LEU H . . 5.500 4.086 3.656 4.632 . 0 0 "[ . 1 . ]" 1
1264 1 83 LYS HB3 1 90 LYS H . . 4.800 4.382 3.305 5.449 0.649 7 1 "[ . + 1 . ]" 1
1265 1 83 LYS HD3 1 83 LYS HG2 . . 3.010 2.580 2.308 3.065 0.055 9 0 "[ . 1 . ]" 1
1266 1 83 LYS QE 1 85 THR MG . . 3.480 2.607 1.957 3.226 . 0 0 "[ . 1 . ]" 1
1267 1 83 LYS HG2 1 84 LEU H . . 5.010 4.017 2.977 4.900 . 0 0 "[ . 1 . ]" 1
1268 1 83 LYS HG3 1 84 LEU H . . 5.180 4.108 1.980 5.092 . 0 0 "[ . 1 . ]" 1
1269 1 84 LEU H 1 85 THR H . . 4.640 4.123 3.910 4.588 . 0 0 "[ . 1 . ]" 1
1270 1 84 LEU H 1 85 THR MG . . 4.090 3.417 2.994 4.125 0.035 19 0 "[ . 1 . ]" 1
1271 1 84 LEU HA 1 84 LEU QD . . 3.440 2.456 1.963 2.999 . 0 0 "[ . 1 . ]" 1
1272 1 84 LEU HA 1 85 THR H . . 2.990 2.299 2.205 2.381 . 0 0 "[ . 1 . ]" 1
1273 1 84 LEU HB2 1 84 LEU QD . . 3.260 2.229 2.053 2.458 . 0 0 "[ . 1 . ]" 1
1274 1 84 LEU HB2 1 85 THR H . . 4.510 4.463 4.223 4.589 0.079 15 0 "[ . 1 . ]" 1
1275 1 84 LEU QD 1 85 THR H . . 3.630 2.205 1.903 2.673 . 0 0 "[ . 1 . ]" 1
1276 1 84 LEU QD 1 85 THR MG . . 4.210 4.073 3.807 4.182 . 0 0 "[ . 1 . ]" 1
1277 1 84 LEU QD 1 86 SER HA . . 5.140 4.207 3.719 4.696 . 0 0 "[ . 1 . ]" 1
1278 1 84 LEU QD 1 87 LYS H . . 5.500 4.737 4.484 5.333 . 0 0 "[ . 1 . ]" 1
1279 1 85 THR H 1 85 THR MG . . 3.500 2.867 2.513 3.102 . 0 0 "[ . 1 . ]" 1
1280 1 85 THR H 1 86 SER H . . 5.210 4.382 4.235 4.550 . 0 0 "[ . 1 . ]" 1
1281 1 85 THR H 1 87 LYS H . . 4.900 4.095 3.574 4.799 . 0 0 "[ . 1 . ]" 1
1282 1 85 THR H 1 88 GLU H . . 3.720 2.996 2.644 3.447 . 0 0 "[ . 1 . ]" 1
1283 1 85 THR H 1 89 MET HA . . 4.110 3.677 3.443 3.844 . 0 0 "[ . 1 . ]" 1
1284 1 85 THR H 1 89 MET HB2 . . 5.280 3.896 3.078 5.012 . 0 0 "[ . 1 . ]" 1
1285 1 85 THR H 1 90 LYS H . . 5.480 5.531 5.292 5.566 0.086 1 0 "[ . 1 . ]" 1
1286 1 85 THR HA 1 85 THR MG . . 3.260 2.574 2.494 2.694 . 0 0 "[ . 1 . ]" 1
1287 1 85 THR HA 1 86 SER H . . 3.230 2.710 2.477 2.980 . 0 0 "[ . 1 . ]" 1
1288 1 85 THR MG 1 86 SER H . . 4.030 3.882 3.765 4.051 0.021 14 0 "[ . 1 . ]" 1
1289 1 85 THR MG 1 88 GLU H . . 4.270 3.733 3.265 4.338 0.068 13 0 "[ . 1 . ]" 1
1290 1 85 THR MG 1 88 GLU HB2 . . 3.920 3.680 2.452 4.012 0.092 18 0 "[ . 1 . ]" 1
1291 1 85 THR MG 1 88 GLU HG2 . . 4.840 4.646 3.618 4.947 0.107 14 0 "[ . 1 . ]" 1
1292 1 85 THR MG 1 88 GLU HG3 . . 5.500 5.169 4.069 5.609 0.109 16 0 "[ . 1 . ]" 1
1293 1 86 SER H 1 86 SER QB . . 3.430 2.332 1.963 2.862 . 0 0 "[ . 1 . ]" 1
1294 1 86 SER H 1 87 LYS H . . 3.460 2.900 2.577 3.079 . 0 0 "[ . 1 . ]" 1
1295 1 86 SER H 1 88 GLU H . . 5.500 4.236 3.802 4.650 . 0 0 "[ . 1 . ]" 1
1296 1 86 SER HA 1 87 LYS HA . . 5.120 4.516 4.324 4.725 . 0 0 "[ . 1 . ]" 1
1297 1 86 SER HA 1 107 LYS QD . . 5.210 4.141 3.746 5.066 . 0 0 "[ . 1 . ]" 1
1298 1 86 SER QB 1 87 LYS H . . 5.030 3.142 2.242 3.745 . 0 0 "[ . 1 . ]" 1
1299 1 86 SER QB 1 87 LYS QG . . 3.860 3.264 2.763 3.762 . 0 0 "[ . 1 . ]" 1
1300 1 87 LYS H 1 87 LYS HB2 . . 3.980 3.738 2.746 4.046 0.066 8 0 "[ . 1 . ]" 1
1301 1 87 LYS H 1 87 LYS HB3 . . 3.490 3.480 3.055 3.924 0.434 14 0 "[ . 1 . ]" 1
1302 1 87 LYS H 1 87 LYS QG . . 4.300 2.604 2.132 3.518 . 0 0 "[ . 1 . ]" 1
1303 1 87 LYS H 1 107 LYS QD . . 5.500 4.141 3.581 4.626 . 0 0 "[ . 1 . ]" 1
1304 1 87 LYS HA 1 107 LYS H . . 4.260 4.091 3.011 4.341 0.081 2 0 "[ . 1 . ]" 1
1305 1 87 LYS HA 1 107 LYS HA . . 4.280 4.268 3.939 4.366 0.086 3 0 "[ . 1 . ]" 1
1306 1 87 LYS HA 1 107 LYS QB . . 3.840 2.352 2.069 2.608 . 0 0 "[ . 1 . ]" 1
1307 1 87 LYS HB3 1 88 GLU H . . 4.670 4.564 4.052 4.728 0.058 6 0 "[ . 1 . ]" 1
1308 1 87 LYS QD 1 87 LYS QG . . 2.460 2.064 2.005 2.128 . 0 0 "[ . 1 . ]" 1
1309 1 87 LYS QE 1 87 LYS QG . . 3.380 2.317 2.118 2.830 . 0 0 "[ . 1 . ]" 1
1310 1 87 LYS QE 1 88 GLU HG3 . . 5.500 4.963 2.648 6.487 0.987 7 1 "[ . + 1 . ]" 1
1311 1 88 GLU H 1 88 GLU HB3 . . 3.600 2.995 2.440 3.652 0.052 2 0 "[ . 1 . ]" 1
1312 1 88 GLU H 1 88 GLU HG2 . . 5.500 4.592 4.268 4.896 . 0 0 "[ . 1 . ]" 1
1313 1 88 GLU H 1 89 MET H . . 5.500 4.306 3.934 4.630 . 0 0 "[ . 1 . ]" 1
1314 1 88 GLU HA 1 88 GLU HG2 . . 3.870 2.748 2.237 3.774 . 0 0 "[ . 1 . ]" 1
1315 1 88 GLU HA 1 89 MET H . . 2.810 2.248 2.095 2.368 . 0 0 "[ . 1 . ]" 1
1316 1 88 GLU HA 1 89 MET HB3 . . 5.400 4.516 4.286 4.729 . 0 0 "[ . 1 . ]" 1
1317 1 88 GLU HB2 1 89 MET H . . 4.990 4.514 4.120 4.672 . 0 0 "[ . 1 . ]" 1
1318 1 88 GLU HB3 1 89 MET H . . 4.510 3.963 3.042 4.464 . 0 0 "[ . 1 . ]" 1
1319 1 88 GLU HG2 1 89 MET H . . 4.050 3.262 2.222 4.581 0.531 7 1 "[ . + 1 . ]" 1
1320 1 88 GLU HG3 1 89 MET H . . 4.520 3.844 2.971 4.603 0.083 2 0 "[ . 1 . ]" 1
1321 1 89 MET H 1 89 MET HB3 . . 3.870 2.679 2.430 2.891 . 0 0 "[ . 1 . ]" 1
1322 1 89 MET H 1 89 MET ME . . 5.500 4.922 4.695 5.407 . 0 0 "[ . 1 . ]" 1
1323 1 89 MET H 1 90 LYS H . . 4.650 4.242 4.012 4.436 . 0 0 "[ . 1 . ]" 1
1324 1 89 MET H 1 105 LEU H . . 4.020 3.740 3.294 4.080 0.060 7 0 "[ . 1 . ]" 1
1325 1 89 MET H 1 105 LEU QD . . 5.190 4.774 4.558 5.009 . 0 0 "[ . 1 . ]" 1
1326 1 89 MET HA 1 89 MET ME . . 4.870 4.660 4.178 4.864 . 0 0 "[ . 1 . ]" 1
1327 1 89 MET HA 1 89 MET HG2 . . 3.880 3.205 2.496 3.415 . 0 0 "[ . 1 . ]" 1
1328 1 89 MET HA 1 89 MET HG3 . . 3.900 2.615 2.294 3.513 . 0 0 "[ . 1 . ]" 1
1329 1 89 MET HA 1 90 LYS H . . 2.940 2.150 2.047 2.322 . 0 0 "[ . 1 . ]" 1
1330 1 89 MET HA 1 90 LYS QB . . 4.560 4.149 3.733 4.439 . 0 0 "[ . 1 . ]" 1
1331 1 89 MET HB2 1 89 MET ME . . 4.390 3.278 2.440 3.732 . 0 0 "[ . 1 . ]" 1
1332 1 89 MET HB2 1 90 LYS H . . 4.670 4.125 3.900 4.308 . 0 0 "[ . 1 . ]" 1
1333 1 89 MET HB3 1 89 MET ME . . 3.200 2.683 2.239 3.274 0.074 7 0 "[ . 1 . ]" 1
1334 1 89 MET HB3 1 105 LEU H . . 5.300 3.348 2.481 3.990 . 0 0 "[ . 1 . ]" 1
1335 1 89 MET HB3 1 105 LEU QD . . 3.840 3.536 3.190 3.800 . 0 0 "[ . 1 . ]" 1
1336 1 89 MET ME 1 89 MET HG2 . . 3.690 2.512 2.093 3.379 . 0 0 "[ . 1 . ]" 1
1337 1 89 MET ME 1 91 TRP QB . . 5.500 3.827 3.081 4.903 . 0 0 "[ . 1 . ]" 1
1338 1 89 MET ME 1 91 TRP HE1 . . 3.550 3.560 3.309 3.659 0.109 10 0 "[ . 1 . ]" 1
1339 1 89 MET ME 1 105 LEU H . . 5.010 4.038 3.442 5.067 0.057 11 0 "[ . 1 . ]" 1
1340 1 89 MET ME 1 105 LEU HB2 . . 4.310 2.398 2.096 3.454 . 0 0 "[ . 1 . ]" 1
1341 1 89 MET ME 1 105 LEU QD . . 2.980 2.294 1.794 2.905 . 0 0 "[ . 1 . ]" 1
1342 1 89 MET HG2 1 90 LYS H . . 3.530 3.132 2.004 3.609 0.079 8 0 "[ . 1 . ]" 1
1343 1 89 MET HG2 1 91 TRP H . . 4.340 3.676 2.694 4.391 0.051 18 0 "[ . 1 . ]" 1
1344 1 89 MET HG2 1 91 TRP HA . . 4.890 4.619 4.235 4.934 0.044 17 0 "[ . 1 . ]" 1
1345 1 89 MET HG2 1 91 TRP HE3 . . 3.930 2.727 2.397 3.234 . 0 0 "[ . 1 . ]" 1
1346 1 89 MET HG2 1 105 LEU QD . . 5.280 3.442 3.240 4.748 . 0 0 "[ . 1 . ]" 1
1347 1 89 MET HG3 1 90 LYS H . . 3.900 2.977 2.364 3.699 . 0 0 "[ . 1 . ]" 1
1348 1 89 MET HG3 1 91 TRP H . . 5.500 4.903 4.250 5.499 . 0 0 "[ . 1 . ]" 1
1349 1 89 MET HG3 1 91 TRP HE3 . . 4.240 2.896 2.511 3.493 . 0 0 "[ . 1 . ]" 1
1350 1 89 MET HG3 1 105 LEU QD . . 4.830 4.644 4.158 4.802 . 0 0 "[ . 1 . ]" 1
1351 1 90 LYS H 1 90 LYS QB . . 3.700 2.469 2.296 2.932 . 0 0 "[ . 1 . ]" 1
1352 1 90 LYS H 1 90 LYS HG3 . . 5.160 3.319 2.102 3.863 . 0 0 "[ . 1 . ]" 1
1353 1 90 LYS H 1 91 TRP H . . 5.500 3.968 3.580 4.288 . 0 0 "[ . 1 . ]" 1
1354 1 90 LYS H 1 91 TRP HE3 . . 5.500 3.107 2.163 3.498 . 0 0 "[ . 1 . ]" 1
1355 1 90 LYS H 1 105 LEU H . . 5.500 5.233 4.778 5.555 0.055 11 0 "[ . 1 . ]" 1
1356 1 90 LYS H 1 105 LEU QD . . 5.500 5.334 4.881 5.460 . 0 0 "[ . 1 . ]" 1
1357 1 90 LYS HA 1 90 LYS HG2 . . 4.210 2.720 2.219 4.180 . 0 0 "[ . 1 . ]" 1
1358 1 90 LYS HA 1 90 LYS HG3 . . 3.770 3.009 2.195 3.844 0.074 19 0 "[ . 1 . ]" 1
1359 1 90 LYS HA 1 91 TRP H . . 3.280 2.194 2.067 2.584 . 0 0 "[ . 1 . ]" 1
1360 1 90 LYS HA 1 91 TRP HE3 . . 4.100 4.152 3.747 4.205 0.105 19 0 "[ . 1 . ]" 1
1361 1 90 LYS QB 1 90 LYS QE . . 4.020 2.995 2.008 3.691 . 0 0 "[ . 1 . ]" 1
1362 1 90 LYS QB 1 90 LYS HG2 . . 2.800 2.304 1.947 2.566 . 0 0 "[ . 1 . ]" 1
1363 1 90 LYS QB 1 91 TRP H . . 4.700 3.712 3.495 3.973 . 0 0 "[ . 1 . ]" 1
1364 1 90 LYS QB 1 91 TRP HE3 . . 4.560 4.215 3.993 4.321 . 0 0 "[ . 1 . ]" 1
1365 1 90 LYS QB 1 92 GLU HA . . 5.410 5.184 4.937 5.309 . 0 0 "[ . 1 . ]" 1
1366 1 90 LYS QE 1 90 LYS HG2 . . 3.140 2.497 2.065 3.398 0.258 17 0 "[ . 1 . ]" 1
1367 1 90 LYS HG2 1 91 TRP H . . 5.500 4.687 4.273 5.589 0.089 19 0 "[ . 1 . ]" 1
1368 1 91 TRP H 1 91 TRP HB2 . . 3.590 2.271 1.983 2.417 . 0 0 "[ . 1 . ]" 1
1369 1 91 TRP H 1 91 TRP QB . . 3.320 2.241 1.968 2.382 . 0 0 "[ . 1 . ]" 1
1370 1 91 TRP H 1 91 TRP HE3 . . 4.010 3.321 3.086 3.757 . 0 0 "[ . 1 . ]" 1
1371 1 91 TRP H 1 102 ASP HA . . 5.390 5.026 4.028 5.469 0.079 16 0 "[ . 1 . ]" 1
1372 1 91 TRP H 1 103 LYS H . . 4.980 4.556 3.871 5.059 0.079 19 0 "[ . 1 . ]" 1
1373 1 91 TRP H 1 105 LEU H . . 4.940 3.956 3.555 4.653 . 0 0 "[ . 1 . ]" 1
1374 1 91 TRP H 1 105 LEU QD . . 4.370 3.474 2.511 4.036 . 0 0 "[ . 1 . ]" 1
1375 1 91 TRP HA 1 91 TRP HE3 . . 3.130 2.469 2.154 2.771 . 0 0 "[ . 1 . ]" 1
1376 1 91 TRP HA 1 92 GLU H . . 2.890 2.212 2.091 2.390 . 0 0 "[ . 1 . ]" 1
1377 1 91 TRP QB 1 103 LYS H . . 3.900 3.929 3.314 4.008 0.108 9 0 "[ . 1 . ]" 1
1378 1 91 TRP QB 1 105 LEU QD . . 4.330 2.831 2.183 3.398 . 0 0 "[ . 1 . ]" 1
1379 1 91 TRP HB3 1 92 GLU H . . 4.540 3.838 2.865 4.284 . 0 0 "[ . 1 . ]" 1
1380 1 91 TRP HD1 1 105 LEU QD . . 5.500 3.864 3.509 4.224 . 0 0 "[ . 1 . ]" 1
1381 1 91 TRP HE3 1 92 GLU H . . 5.500 4.389 3.856 4.731 . 0 0 "[ . 1 . ]" 1
1382 1 91 TRP HE3 1 105 LEU QD . . 5.500 4.789 4.253 5.158 . 0 0 "[ . 1 . ]" 1
1383 1 92 GLU H 1 92 GLU QB . . 3.560 2.237 2.119 2.488 . 0 0 "[ . 1 . ]" 1
1384 1 92 GLU H 1 93 ASN H . . 5.500 4.578 4.322 4.716 . 0 0 "[ . 1 . ]" 1
1385 1 92 GLU HA 1 92 GLU HG2 . . 4.090 3.081 2.325 3.838 . 0 0 "[ . 1 . ]" 1
1386 1 92 GLU HA 1 93 ASN H . . 2.940 2.367 2.137 2.815 . 0 0 "[ . 1 . ]" 1
1387 1 92 GLU HA 1 93 ASN HA . . 4.360 4.328 4.118 4.436 0.076 12 0 "[ . 1 . ]" 1
1388 1 92 GLU HA 1 93 ASN HB2 . . 5.500 4.730 4.332 5.081 . 0 0 "[ . 1 . ]" 1
1389 1 92 GLU HA 1 102 ASP H . . 5.500 5.164 3.523 5.578 0.078 11 0 "[ . 1 . ]" 1
1390 1 92 GLU HA 1 102 ASP HB2 . . 5.500 2.976 2.124 5.059 . 0 0 "[ . 1 . ]" 1
1391 1 92 GLU HA 1 102 ASP HB3 . . 3.810 3.500 2.765 4.372 0.562 1 1 "[+ . 1 . ]" 1
1392 1 92 GLU HA 1 103 LYS H . . 5.180 4.699 3.593 5.177 . 0 0 "[ . 1 . ]" 1
1393 1 92 GLU QB 1 93 ASN H . . 3.970 3.453 2.448 3.766 . 0 0 "[ . 1 . ]" 1
1394 1 92 GLU QB 1 102 ASP HB3 . . 5.370 5.078 4.149 5.954 0.584 1 1 "[+ . 1 . ]" 1
1395 1 92 GLU HG2 1 93 ASN H . . 4.400 2.824 1.892 4.222 . 0 0 "[ . 1 . ]" 1
1396 1 92 GLU HG2 1 93 ASN HB3 . . 5.500 4.121 3.159 5.569 0.069 12 0 "[ . 1 . ]" 1
1397 1 92 GLU HG3 1 93 ASN H . . 5.500 3.015 2.185 4.305 . 0 0 "[ . 1 . ]" 1
1398 1 93 ASN H 1 93 ASN HB2 . . 3.360 2.608 2.048 3.279 . 0 0 "[ . 1 . ]" 1
1399 1 93 ASN H 1 93 ASN HB3 . . 3.390 2.370 2.105 3.313 . 0 0 "[ . 1 . ]" 1
1400 1 93 ASN H 1 93 ASN QD . . 5.500 4.601 4.431 4.854 . 0 0 "[ . 1 . ]" 1
1401 1 93 ASN H 1 94 ALA H . . 4.980 2.955 2.535 3.213 . 0 0 "[ . 1 . ]" 1
1402 1 93 ASN H 1 95 SER H . . 5.500 5.536 5.212 5.594 0.094 17 0 "[ . 1 . ]" 1
1403 1 93 ASN H 1 102 ASP H . . 5.260 4.593 3.549 5.322 0.062 16 0 "[ . 1 . ]" 1
1404 1 93 ASN H 1 102 ASP HA . . 3.970 3.095 2.623 3.699 . 0 0 "[ . 1 . ]" 1
1405 1 93 ASN H 1 103 LYS H . . 5.500 5.517 5.145 5.585 0.085 2 0 "[ . 1 . ]" 1
1406 1 93 ASN HA 1 94 ALA H . . 3.550 3.562 3.502 3.605 0.055 6 0 "[ . 1 . ]" 1
1407 1 93 ASN HA 1 94 ALA MB . . 5.500 4.270 4.037 4.507 . 0 0 "[ . 1 . ]" 1
1408 1 93 ASN HA 1 95 SER H . . 4.020 3.986 3.789 4.107 0.087 14 0 "[ . 1 . ]" 1
1409 1 93 ASN HB2 1 95 SER H . . 5.500 4.951 4.403 5.372 . 0 0 "[ . 1 . ]" 1
1410 1 93 ASN HB2 1 96 PRO HA . . 5.130 4.989 4.648 5.328 0.198 14 0 "[ . 1 . ]" 1
1411 1 93 ASN HB3 1 95 SER H . . 5.320 4.423 3.262 4.870 . 0 0 "[ . 1 . ]" 1
1412 1 93 ASN HB3 1 96 PRO HA . . 5.500 4.836 4.080 5.199 . 0 0 "[ . 1 . ]" 1
1413 1 93 ASN QD 1 95 SER H . . 4.780 2.679 1.881 3.417 . 0 0 "[ . 1 . ]" 1
1414 1 93 ASN QD 1 96 PRO HA . . 5.260 2.210 1.834 2.963 . 0 0 "[ . 1 . ]" 1
1415 1 93 ASN QD 1 96 PRO HB3 . . 5.500 3.703 2.830 4.339 . 0 0 "[ . 1 . ]" 1
1416 1 93 ASN QD 1 98 ASP H . . 5.500 4.209 3.724 5.118 . 0 0 "[ . 1 . ]" 1
1417 1 93 ASN QD 1 99 GLY H . . 4.780 3.213 2.775 3.905 . 0 0 "[ . 1 . ]" 1
1418 1 93 ASN QD 1 100 ASN H . . 3.870 2.184 1.748 2.619 . 0 0 "[ . 1 . ]" 1
1419 1 93 ASN QD 1 100 ASN HA . . 5.500 3.762 3.367 4.220 . 0 0 "[ . 1 . ]" 1
1420 1 93 ASN QD 1 100 ASN QB . . 3.690 2.032 1.634 3.271 . 0 0 "[ . 1 . ]" 1
1421 1 93 ASN QD 1 100 ASN QD . . 4.860 3.712 3.090 3.990 . 0 0 "[ . 1 . ]" 1
1422 1 93 ASN QD 1 101 SER H . . 5.430 4.135 3.536 4.852 . 0 0 "[ . 1 . ]" 1
1423 1 94 ALA H 1 94 ALA MB . . 3.470 2.953 2.804 3.110 . 0 0 "[ . 1 . ]" 1
1424 1 94 ALA H 1 95 SER H . . 3.660 3.603 3.303 3.722 0.062 14 0 "[ . 1 . ]" 1
1425 1 94 ALA MB 1 95 SER H . . 4.390 2.624 2.298 3.246 . 0 0 "[ . 1 . ]" 1
1426 1 95 SER H 1 95 SER HB2 . . 3.850 2.745 2.200 3.240 . 0 0 "[ . 1 . ]" 1
1427 1 95 SER H 1 95 SER HB3 . . 3.730 3.153 2.152 3.858 0.128 14 0 "[ . 1 . ]" 1
1428 1 95 SER H 1 96 PRO HD2 . . 4.480 4.359 4.091 4.556 0.076 6 0 "[ . 1 . ]" 1
1429 1 95 SER HA 1 96 PRO HD2 . . 3.180 2.110 2.033 2.242 . 0 0 "[ . 1 . ]" 1
1430 1 95 SER HA 1 96 PRO HD3 . . 2.820 2.863 2.671 2.900 0.080 4 0 "[ . 1 . ]" 1
1431 1 95 SER HA 1 96 PRO QG . . 5.500 3.972 3.902 4.093 . 0 0 "[ . 1 . ]" 1
1432 1 95 SER HA 1 97 LYS H . . 4.780 3.250 3.035 3.500 . 0 0 "[ . 1 . ]" 1
1433 1 95 SER HB2 1 96 PRO HD2 . . 4.560 4.738 4.395 4.983 0.423 10 0 "[ . 1 . ]" 1
1434 1 95 SER HB2 1 98 ASP H . . 5.500 4.260 3.454 5.233 . 0 0 "[ . 1 . ]" 1
1435 1 95 SER HB2 1 98 ASP HB2 . . 5.190 3.780 2.533 5.313 0.123 9 0 "[ . 1 . ]" 1
1436 1 95 SER HB3 1 98 ASP HB2 . . 5.250 2.756 2.041 4.147 . 0 0 "[ . 1 . ]" 1
1437 1 96 PRO HA 1 100 ASN H . . 5.500 3.705 3.056 4.277 . 0 0 "[ . 1 . ]" 1
1438 1 96 PRO HB2 1 97 LYS H . . 4.660 3.828 3.494 4.087 . 0 0 "[ . 1 . ]" 1
1439 1 96 PRO HD2 1 97 LYS H . . 5.110 2.822 2.442 3.086 . 0 0 "[ . 1 . ]" 1
1440 1 96 PRO HD2 1 97 LYS QE . . 5.500 4.384 2.767 5.586 0.086 6 0 "[ . 1 . ]" 1
1441 1 96 PRO HD3 1 97 LYS H . . 4.020 3.938 3.664 4.082 0.062 8 0 "[ . 1 . ]" 1
1442 1 96 PRO QG 1 97 LYS H . . 4.340 2.901 2.362 3.289 . 0 0 "[ . 1 . ]" 1
1443 1 97 LYS H 1 97 LYS HB3 . . 3.190 2.942 2.013 3.707 0.517 8 1 "[ . + 1 . ]" 1
1444 1 97 LYS H 1 97 LYS QG . . 3.650 2.375 1.851 3.760 0.110 2 0 "[ . 1 . ]" 1
1445 1 97 LYS H 1 99 GLY H . . 5.000 3.936 3.408 4.366 . 0 0 "[ . 1 . ]" 1
1446 1 97 LYS HA 1 97 LYS QG . . 3.310 2.912 2.292 3.396 0.086 18 0 "[ . 1 . ]" 1
1447 1 97 LYS HA 1 99 GLY H . . 4.670 4.509 4.122 4.749 0.079 10 0 "[ . 1 . ]" 1
1448 1 97 LYS HB3 1 98 ASP H . . 4.220 3.849 2.580 4.184 . 0 0 "[ . 1 . ]" 1
1449 1 97 LYS HB3 1 99 GLY H . . 5.500 5.654 4.928 5.997 0.497 16 0 "[ . 1 . ]" 1
1450 1 97 LYS HD2 1 97 LYS QG . . 2.450 2.291 2.099 2.473 0.023 8 0 "[ . 1 . ]" 1
1451 1 97 LYS QG 1 98 ASP H . . 4.720 3.100 1.831 4.342 . 0 0 "[ . 1 . ]" 1
1452 1 97 LYS QG 1 99 GLY H . . 5.500 4.848 3.885 5.597 0.097 8 0 "[ . 1 . ]" 1
1453 1 98 ASP H 1 98 ASP HB2 . . 3.490 2.342 2.184 2.964 . 0 0 "[ . 1 . ]" 1
1454 1 98 ASP H 1 98 ASP HB3 . . 3.800 3.347 2.281 3.624 . 0 0 "[ . 1 . ]" 1
1455 1 98 ASP H 1 99 GLY H . . 3.360 2.315 1.764 2.633 . 0 0 "[ . 1 . ]" 1
1456 1 98 ASP H 1 99 GLY HA2 . . 4.860 4.601 4.003 4.909 0.049 11 0 "[ . 1 . ]" 1
1457 1 98 ASP HA 1 98 ASP HB2 . . 2.910 2.896 2.436 2.991 0.081 4 0 "[ . 1 . ]" 1
1458 1 98 ASP HA 1 98 ASP HB3 . . 2.880 2.680 2.462 2.994 0.114 14 0 "[ . 1 . ]" 1
1459 1 98 ASP HB2 1 99 GLY H . . 5.010 3.160 2.747 3.944 . 0 0 "[ . 1 . ]" 1
1460 1 98 ASP HB3 1 99 GLY H . . 4.680 3.433 2.711 3.986 . 0 0 "[ . 1 . ]" 1
1461 1 99 GLY H 1 100 ASN H . . 3.240 2.689 2.096 3.317 0.077 9 0 "[ . 1 . ]" 1
1462 1 99 GLY H 1 100 ASN HA . . 5.070 4.987 4.728 5.157 0.087 6 0 "[ . 1 . ]" 1
1463 1 100 ASN H 1 100 ASN QB . . 3.250 2.764 1.996 3.135 . 0 0 "[ . 1 . ]" 1
1464 1 100 ASN H 1 100 ASN QD . . 4.740 3.445 2.396 4.433 . 0 0 "[ . 1 . ]" 1
1465 1 100 ASN HA 1 100 ASN QD . . 3.970 2.844 2.206 3.808 . 0 0 "[ . 1 . ]" 1
1466 1 100 ASN HA 1 101 SER H . . 2.870 2.610 2.241 2.940 0.070 14 0 "[ . 1 . ]" 1
1467 1 100 ASN QB 1 101 SER H . . 3.410 2.453 2.016 3.386 . 0 0 "[ . 1 . ]" 1
1468 1 100 ASN QB 1 101 SER HA . . 5.470 4.294 3.931 5.115 . 0 0 "[ . 1 . ]" 1
1469 1 101 SER H 1 103 LYS H . . 5.500 5.335 4.587 5.590 0.090 1 0 "[ . 1 . ]" 1
1470 1 101 SER HA 1 101 SER HB3 . . 2.840 2.403 2.223 2.985 0.145 10 0 "[ . 1 . ]" 1
1471 1 101 SER HA 1 102 ASP H . . 2.630 2.322 2.036 2.723 0.093 10 0 "[ . 1 . ]" 1
1472 1 101 SER HA 1 102 ASP HB2 . . 5.350 5.285 4.328 5.693 0.343 18 0 "[ . 1 . ]" 1
1473 1 101 SER HB2 1 102 ASP H . . 3.920 3.500 2.516 4.006 0.086 1 0 "[ . 1 . ]" 1
1474 1 101 SER HB3 1 102 ASP H . . 3.320 3.083 2.086 3.984 0.664 16 2 "[ . 1 .+- ]" 1
1475 1 102 ASP H 1 102 ASP HB2 . . 3.280 3.418 2.283 3.846 0.566 18 5 "[ *. * 1 .- +*]" 1
1476 1 102 ASP H 1 102 ASP HB3 . . 3.770 2.983 2.281 3.664 . 0 0 "[ . 1 . ]" 1
1477 1 102 ASP H 1 103 LYS H . . 5.260 3.325 2.513 4.043 . 0 0 "[ . 1 . ]" 1
1478 1 102 ASP H 1 103 LYS HD2 . . 5.500 4.780 3.183 5.560 0.060 2 0 "[ . 1 . ]" 1
1479 1 102 ASP HA 1 103 LYS H . . 3.120 2.506 1.949 3.034 . 0 0 "[ . 1 . ]" 1
1480 1 102 ASP HB3 1 103 LYS H . . 4.480 4.497 3.966 4.705 0.225 4 0 "[ . 1 . ]" 1
1481 1 103 LYS H 1 103 LYS HB2 . . 3.890 3.797 3.627 3.964 0.074 8 0 "[ . 1 . ]" 1
1482 1 103 LYS H 1 103 LYS HG2 . . 4.630 2.922 2.283 3.484 . 0 0 "[ . 1 . ]" 1
1483 1 103 LYS H 1 104 ARG H . . 5.430 4.553 4.347 4.736 . 0 0 "[ . 1 . ]" 1
1484 1 103 LYS H 1 105 LEU QD . . 5.500 4.302 3.955 4.734 . 0 0 "[ . 1 . ]" 1
1485 1 103 LYS HA 1 103 LYS HG2 . . 3.680 3.655 3.581 3.719 0.039 14 0 "[ . 1 . ]" 1
1486 1 103 LYS HA 1 104 ARG H . . 2.880 2.757 2.497 2.948 0.068 1 0 "[ . 1 . ]" 1
1487 1 103 LYS HB2 1 103 LYS HE2 . . 5.250 4.762 4.360 5.187 . 0 0 "[ . 1 . ]" 1
1488 1 103 LYS HB2 1 104 ARG H . . 3.920 2.131 1.941 2.355 . 0 0 "[ . 1 . ]" 1
1489 1 103 LYS HB2 1 105 LEU QD . . 4.850 3.842 3.096 4.309 . 0 0 "[ . 1 . ]" 1
1490 1 103 LYS HB3 1 104 ARG H . . 5.070 3.660 3.473 3.810 . 0 0 "[ . 1 . ]" 1
1491 1 103 LYS HB3 1 105 LEU QD . . 5.190 4.501 4.029 4.860 . 0 0 "[ . 1 . ]" 1
1492 1 103 LYS HE3 1 103 LYS HG2 . . 3.100 3.501 2.702 4.051 0.951 11 9 "[**- ** *1+ * .* ]" 1
1493 1 103 LYS HE3 1 103 LYS HG3 . . 3.350 3.048 2.181 3.830 0.480 2 0 "[ . 1 . ]" 1
1494 1 103 LYS HG2 1 104 ARG H . . 4.350 3.182 2.831 3.763 . 0 0 "[ . 1 . ]" 1
1495 1 103 LYS HG2 1 104 ARG HA . . 3.760 3.829 3.543 3.859 0.099 5 0 "[ . 1 . ]" 1
1496 1 103 LYS HG2 1 105 LEU H . . 4.130 3.848 3.505 4.231 0.101 16 0 "[ . 1 . ]" 1
1497 1 103 LYS HG3 1 105 LEU QD . . 3.650 2.652 2.126 3.334 . 0 0 "[ . 1 . ]" 1
1498 1 104 ARG H 1 105 LEU H . . 5.260 3.934 3.615 4.193 . 0 0 "[ . 1 . ]" 1
1499 1 104 ARG H 1 105 LEU QD . . 4.260 3.706 3.405 3.920 . 0 0 "[ . 1 . ]" 1
1500 1 104 ARG HA 1 104 ARG HG2 . . 3.610 3.341 2.440 3.685 0.075 1 0 "[ . 1 . ]" 1
1501 1 104 ARG HA 1 105 LEU H . . 3.200 2.157 1.961 2.321 . 0 0 "[ . 1 . ]" 1
1502 1 104 ARG HA 1 105 LEU QD . . 3.550 3.276 2.917 3.538 . 0 0 "[ . 1 . ]" 1
1503 1 104 ARG HB3 1 105 LEU H . . 5.110 4.087 2.990 4.567 . 0 0 "[ . 1 . ]" 1
1504 1 105 LEU H 1 105 LEU HB3 . . 3.830 3.616 3.515 3.691 . 0 0 "[ . 1 . ]" 1
1505 1 105 LEU H 1 105 LEU QD . . 3.230 2.101 1.726 2.507 . 0 0 "[ . 1 . ]" 1
1506 1 105 LEU HA 1 105 LEU QD . . 3.680 2.557 1.975 2.964 . 0 0 "[ . 1 . ]" 1
1507 1 105 LEU HA 1 106 GLU H . . 2.990 2.202 2.089 2.291 . 0 0 "[ . 1 . ]" 1
1508 1 105 LEU HB2 1 106 GLU H . . 4.380 4.261 4.059 4.495 0.115 16 0 "[ . 1 . ]" 1
1509 1 105 LEU HB3 1 106 GLU H . . 4.440 3.273 2.995 3.715 . 0 0 "[ . 1 . ]" 1
1510 1 105 LEU QD 1 106 GLU H . . 5.340 3.921 3.349 4.352 . 0 0 "[ . 1 . ]" 1
1511 1 106 GLU H 1 106 GLU QB . . 3.760 2.640 2.241 3.136 . 0 0 "[ . 1 . ]" 1
1512 1 106 GLU H 1 106 GLU HG2 . . 5.250 4.052 2.228 4.885 . 0 0 "[ . 1 . ]" 1
1513 1 106 GLU H 1 107 LYS H . . 5.410 3.239 2.762 4.404 . 0 0 "[ . 1 . ]" 1
1514 1 106 GLU HA 1 106 GLU HG2 . . 3.570 2.832 2.191 3.866 0.296 13 0 "[ . 1 . ]" 1
1515 1 106 GLU HA 1 106 GLU HG3 . . 3.820 2.744 2.100 3.787 . 0 0 "[ . 1 . ]" 1
1516 1 106 GLU HA 1 107 LYS H . . 2.850 2.438 2.182 2.676 . 0 0 "[ . 1 . ]" 1
1517 1 106 GLU HA 1 107 LYS QB . . 4.910 3.741 3.431 4.041 . 0 0 "[ . 1 . ]" 1
1518 1 106 GLU HA 1 107 LYS QD . . 5.500 4.852 4.551 5.405 . 0 0 "[ . 1 . ]" 1
1519 1 106 GLU QB 1 107 LYS H . . 4.640 3.850 2.398 4.010 . 0 0 "[ . 1 . ]" 1
1520 1 106 GLU QB 1 107 LYS QB . . 4.890 4.249 3.577 4.385 . 0 0 "[ . 1 . ]" 1
1521 1 106 GLU HG2 1 107 LYS H . . 4.890 4.488 3.694 4.931 0.041 6 0 "[ . 1 . ]" 1
1522 1 106 GLU HG3 1 107 LYS H . . 4.630 4.653 3.997 4.972 0.342 2 0 "[ . 1 . ]" 1
1523 1 107 LYS H 1 107 LYS QB . . 3.450 2.816 2.075 3.064 . 0 0 "[ . 1 . ]" 1
1524 1 107 LYS H 1 107 LYS QG . . 5.030 4.187 4.006 4.378 . 0 0 "[ . 1 . ]" 1
1525 1 107 LYS H 1 108 TYR H . . 5.460 4.674 4.553 4.743 . 0 0 "[ . 1 . ]" 1
1526 1 107 LYS HA 1 107 LYS HE2 . . 4.620 3.375 2.652 4.066 . 0 0 "[ . 1 . ]" 1
1527 1 107 LYS HA 1 107 LYS QG . . 3.150 2.457 2.252 2.655 . 0 0 "[ . 1 . ]" 1
1528 1 107 LYS HA 1 108 TYR H . . 2.760 2.733 2.329 2.841 0.081 3 0 "[ . 1 . ]" 1
1529 1 107 LYS HA 1 109 ASN H . . 5.500 5.434 4.813 5.580 0.080 19 0 "[ . 1 . ]" 1
1530 1 107 LYS QB 1 108 TYR H . . 5.000 2.620 2.319 3.447 . 0 0 "[ . 1 . ]" 1
1531 1 107 LYS QB 1 108 TYR HB3 . . 5.420 4.842 4.614 5.042 . 0 0 "[ . 1 . ]" 1
1532 1 107 LYS HE3 1 107 LYS QG . . 3.840 3.266 2.990 3.373 . 0 0 "[ . 1 . ]" 1
1533 1 107 LYS QG 1 108 TYR H . . 3.850 1.935 1.721 2.298 . 0 0 "[ . 1 . ]" 1
1534 1 107 LYS QG 1 109 ASN H . . 5.500 5.394 4.725 5.592 0.092 15 0 "[ . 1 . ]" 1
1535 1 108 TYR H 1 108 TYR HB2 . . 3.370 2.753 2.447 3.317 . 0 0 "[ . 1 . ]" 1
1536 1 108 TYR H 1 108 TYR HB3 . . 3.270 2.615 2.420 2.731 . 0 0 "[ . 1 . ]" 1
1537 1 108 TYR H 1 108 TYR QD . . 4.700 4.288 4.163 4.373 . 0 0 "[ . 1 . ]" 1
1538 1 108 TYR H 1 109 ASN H . . 4.310 4.051 3.574 4.320 0.010 8 0 "[ . 1 . ]" 1
1539 1 108 TYR HA 1 108 TYR QD . . 3.200 2.433 2.033 2.996 . 0 0 "[ . 1 . ]" 1
1540 1 108 TYR HA 1 109 ASN H . . 2.780 2.175 2.097 2.283 . 0 0 "[ . 1 . ]" 1
1541 1 108 TYR HB2 1 109 ASN H . . 4.520 4.501 4.392 4.582 0.062 15 0 "[ . 1 . ]" 1
1542 1 108 TYR QD 1 109 ASN H . . 4.010 3.953 3.313 4.106 0.096 2 0 "[ . 1 . ]" 1
1543 1 108 TYR QE 1 109 ASN H . . 5.500 5.371 4.793 5.594 0.094 9 0 "[ . 1 . ]" 1
1544 1 109 ASN H 1 109 ASN HB2 . . 3.500 2.681 2.242 3.204 . 0 0 "[ . 1 . ]" 1
1545 1 109 ASN H 1 109 ASN HB3 . . 3.660 3.250 2.412 3.701 0.041 19 0 "[ . 1 . ]" 1
1546 1 109 ASN H 1 109 ASN HD21 . . 5.500 4.475 2.287 5.564 0.064 9 0 "[ . 1 . ]" 1
1547 1 109 ASN H 1 110 ASP H . . 3.880 3.575 2.748 3.959 0.079 14 0 "[ . 1 . ]" 1
1548 1 109 ASN HA 1 110 ASP H . . 2.950 2.342 1.988 3.031 0.081 6 0 "[ . 1 . ]" 1
1549 1 109 ASN HB2 1 109 ASN HD21 . . 3.630 2.815 2.234 3.641 0.011 1 0 "[ . 1 . ]" 1
1550 1 109 ASN HB3 1 109 ASN HD21 . . 3.670 3.041 2.257 3.711 0.041 4 0 "[ . 1 . ]" 1
1551 1 110 ASP H 1 110 ASP HB2 . . 3.860 2.986 2.365 3.617 . 0 0 "[ . 1 . ]" 1
1552 1 110 ASP H 1 110 ASP HB3 . . 3.470 3.230 2.323 3.828 0.358 17 0 "[ . 1 . ]" 1
1553 1 110 ASP HA 1 110 ASP HB2 . . 2.990 2.520 2.165 3.041 0.051 19 0 "[ . 1 . ]" 1
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