NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407043 |
1xyw   |
6383 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyw
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 2031
_Distance_constraint_stats_list.Viol_count 5062
_Distance_constraint_stats_list.Viol_total 8322.683
_Distance_constraint_stats_list.Viol_max 1.123
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0822
_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 1 VAL 3.830 0.788 2 2 "[ + . 1 - 2]"
1 2 VAL 3.771 0.788 2 2 "[ + . 1 - 2]"
1 3 GLY 0.884 0.088 5 0 "[ . 1 . 2]"
1 4 GLY 3.012 0.109 12 0 "[ . 1 . 2]"
1 5 LEU 12.381 0.154 20 0 "[ . 1 . 2]"
1 6 GLY 8.263 0.398 11 0 "[ . 1 . 2]"
1 7 GLY 9.012 0.398 11 0 "[ . 1 . 2]"
1 8 TYR 9.746 0.109 20 0 "[ . 1 . 2]"
1 9 MET 5.455 0.214 10 0 "[ . 1 . 2]"
1 10 LEU 4.084 0.215 15 0 "[ . 1 . 2]"
1 11 GLY 2.506 0.090 4 0 "[ . 1 . 2]"
1 12 SER 4.498 0.586 15 1 "[ . 1 + 2]"
1 13 ALA 4.754 0.212 8 0 "[ . 1 . 2]"
1 14 MET 15.769 0.314 9 0 "[ . 1 . 2]"
1 15 SER 7.286 0.305 16 0 "[ . 1 . 2]"
1 16 ARG 8.487 0.629 19 1 "[ . 1 . +2]"
1 17 PRO 3.016 0.088 15 0 "[ . 1 . 2]"
1 18 LEU 5.705 0.110 16 0 "[ . 1 . 2]"
1 19 ILE 17.653 1.123 13 10 "[ * *. *1*-+** * *]"
1 20 HIS 6.141 0.980 4 2 "[ +. 1- . 2]"
1 21 PHE 6.848 0.618 20 1 "[ . 1 . +]"
1 22 GLY 3.875 0.980 4 1 "[ +. 1 . 2]"
1 23 ASN 4.962 0.112 11 0 "[ . 1 . 2]"
1 24 ASP 2.229 0.104 7 0 "[ . 1 . 2]"
1 25 TYR 9.551 0.928 3 5 "[ +-. 1 * * * 2]"
1 26 GLU 10.917 0.928 3 6 "[ +-.* 1 * * * 2]"
1 27 ASP 6.035 0.100 16 0 "[ . 1 . 2]"
1 28 ARG 10.500 0.114 18 0 "[ . 1 . 2]"
1 29 TYR 5.470 0.374 3 0 "[ . 1 . 2]"
1 30 TYR 8.574 0.237 17 0 "[ . 1 . 2]"
1 31 ARG 5.056 0.089 17 0 "[ . 1 . 2]"
1 32 GLU 10.717 0.422 4 0 "[ . 1 . 2]"
1 33 ASN 23.746 0.907 5 8 "[ ** + **1 * .-* 2]"
1 34 MET 11.296 0.433 16 0 "[ . 1 . 2]"
1 35 TYR 9.397 0.907 5 8 "[ ** + *-1 * .** 2]"
1 36 ARG 1.659 0.376 1 0 "[ . 1 . 2]"
1 37 TYR 4.520 0.117 13 0 "[ . 1 . 2]"
1 38 PRO 6.549 0.472 1 0 "[ . 1 . 2]"
1 39 ASN 5.147 0.376 3 0 "[ . 1 . 2]"
1 40 GLN 17.078 0.376 3 0 "[ . 1 . 2]"
1 41 VAL 2.290 0.086 13 0 "[ . 1 . 2]"
1 42 TYR 5.936 0.103 17 0 "[ . 1 . 2]"
1 43 TYR 3.563 0.521 12 1 "[ . 1 + . 2]"
1 44 ARG 4.418 0.105 7 0 "[ . 1 . 2]"
1 45 PRO 5.818 0.797 13 2 "[ . 1 + . -]"
1 46 VAL 1.032 0.088 6 0 "[ . 1 . 2]"
1 47 ASP 1.447 0.088 9 0 "[ . 1 . 2]"
1 48 GLN 9.346 0.824 2 7 "[ + . * ** * .* -]"
1 49 TYR 3.559 0.134 2 0 "[ . 1 . 2]"
1 50 ASN 0.060 0.018 10 0 "[ . 1 . 2]"
1 51 ASN 5.434 0.098 6 0 "[ . 1 . 2]"
1 52 GLN 3.801 0.102 20 0 "[ . 1 . 2]"
1 53 ASN 6.473 0.091 7 0 "[ . 1 . 2]"
1 54 THR 6.555 0.117 4 0 "[ . 1 . 2]"
1 55 PHE 3.391 0.093 1 0 "[ . 1 . 2]"
1 56 VAL 9.372 0.111 17 0 "[ . 1 . 2]"
1 57 HIS 5.972 0.117 4 0 "[ . 1 . 2]"
1 58 ASP 9.064 0.092 4 0 "[ . 1 . 2]"
1 59 CYS 5.514 0.521 12 1 "[ . 1 + . 2]"
1 60 VAL 5.480 0.115 1 0 "[ . 1 . 2]"
1 61 ASN 7.870 0.111 1 0 "[ . 1 . 2]"
1 62 ILE 16.185 0.154 20 0 "[ . 1 . 2]"
1 63 THR 3.171 0.102 10 0 "[ . 1 . 2]"
1 64 VAL 9.147 0.410 3 0 "[ . 1 . 2]"
1 65 LYS 7.830 0.123 18 0 "[ . 1 . 2]"
1 66 GLN 7.692 0.114 3 0 "[ . 1 . 2]"
1 67 HIS 7.217 0.410 3 0 "[ . 1 . 2]"
1 68 THR 5.090 0.132 10 0 "[ . 1 . 2]"
1 69 VAL 6.177 0.107 2 0 "[ . 1 . 2]"
1 70 THR 5.622 0.117 10 0 "[ . 1 . 2]"
1 71 THR 4.807 0.124 18 0 "[ . 1 . 2]"
1 72 THR 8.260 0.114 8 0 "[ . 1 . 2]"
1 73 THR 9.505 0.621 19 2 "[ . 1 - +2]"
1 74 LYS 8.842 0.621 19 2 "[ . 1 - +2]"
1 75 GLY 2.157 0.090 16 0 "[ . 1 . 2]"
1 76 GLU 5.723 0.119 10 0 "[ . 1 . 2]"
1 77 ASN 4.481 0.664 13 2 "[ . 1 + - 2]"
1 78 PHE 8.507 0.664 13 2 "[ . 1 + - 2]"
1 79 THR 4.477 0.116 1 0 "[ . 1 . 2]"
1 80 GLU 6.890 0.211 9 0 "[ . 1 . 2]"
1 81 THR 6.535 0.211 9 0 "[ . 1 . 2]"
1 82 ASP 3.025 0.099 2 0 "[ . 1 . 2]"
1 83 ILE 9.629 0.278 20 0 "[ . 1 . 2]"
1 84 LYS 4.672 0.096 6 0 "[ . 1 . 2]"
1 85 MET 8.191 0.639 6 1 "[ .+ 1 . 2]"
1 86 MET 4.178 0.248 17 0 "[ . 1 . 2]"
1 87 GLU 3.958 0.102 9 0 "[ . 1 . 2]"
1 88 ARG 19.605 1.123 13 9 "[ * *. *1 -+** * *]"
1 89 VAL 3.840 0.111 17 0 "[ . 1 . 2]"
1 90 VAL 8.713 0.679 20 2 "[ . 1 - . +]"
1 91 GLU 2.027 0.976 20 1 "[ . 1 . +]"
1 92 GLN 12.629 0.871 14 6 "[ .* * *+. *-2]"
1 93 MET 14.826 0.871 14 6 "[ .* * *+. *-2]"
1 94 CYS 4.056 0.116 9 0 "[ . 1 . 2]"
1 95 ILE 11.598 0.243 13 0 "[ . 1 . 2]"
1 96 THR 3.230 0.451 14 0 "[ . 1 . 2]"
1 97 GLN 7.031 0.586 15 1 "[ . 1 + 2]"
1 98 TYR 4.799 0.095 4 0 "[ . 1 . 2]"
1 99 GLN 12.769 0.652 17 2 "[ . - 1 . + 2]"
1 100 ARG 5.401 0.378 11 0 "[ . 1 . 2]"
1 101 GLU 2.582 0.087 17 0 "[ . 1 . 2]"
1 102 SER 7.480 0.378 11 0 "[ . 1 . 2]"
1 103 GLU 6.904 0.581 10 2 "[ . - + . 2]"
1 104 ALA 1.835 0.086 13 0 "[ . 1 . 2]"
1 105 TYR 4.133 0.101 15 0 "[ . 1 . 2]"
1 106 TYR 7.815 0.110 7 0 "[ . 1 . 2]"
1 107 GLN 5.114 0.120 12 0 "[ . 1 . 2]"
1 108 ARG 4.779 0.114 13 0 "[ . 1 . 2]"
1 109 GLY 1.516 0.089 19 0 "[ . 1 . 2]"
1 110 ALA 3.518 0.106 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HB . . 3.740 3.097 2.429 3.823 0.083 9 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL MG1 . . 4.270 3.764 2.673 4.102 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL H1 1 1 VAL MG2 . . 3.430 2.743 1.920 3.438 0.008 12 0 "[ . 1 . 2]" 1
4 1 1 VAL H1 1 2 VAL H . . 2.400 2.264 1.804 2.491 0.091 17 0 "[ . 1 . 2]" 1
5 1 1 VAL H1 1 2 VAL QG . . 4.990 3.657 2.956 4.511 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 1 VAL MG1 . . 3.650 2.383 2.229 2.527 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL HA 1 1 VAL MG2 . . 3.510 2.624 2.340 3.288 . 0 0 "[ . 1 . 2]" 1
8 1 1 VAL HA 1 3 GLY H . . 4.450 4.194 3.317 4.531 0.081 13 0 "[ . 1 . 2]" 1
9 1 1 VAL HB 1 2 VAL H . . 3.540 2.874 2.025 3.623 0.083 11 0 "[ . 1 . 2]" 1
10 1 1 VAL MG1 1 2 VAL QG . . 4.140 3.453 2.372 4.928 0.788 2 2 "[ + . 1 - 2]" 1
11 1 2 VAL H 1 2 VAL HB . . 3.360 2.909 2.422 3.455 0.095 5 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 2 VAL QG . . 2.910 2.157 1.770 2.903 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL H 1 3 GLY H . . 4.010 3.363 2.280 3.963 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 2 VAL QG . . 3.300 2.243 2.115 2.391 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 3 GLY H . . 2.890 2.558 2.164 2.978 0.088 5 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 3 GLY QA . . 4.470 4.143 3.935 4.428 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 4 GLY H . . 5.500 4.088 2.978 5.412 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL QG 1 3 GLY H . . 4.700 3.623 3.218 3.822 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL QG 1 3 GLY QA . . 5.200 3.863 3.151 4.210 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 4 GLY H . . 4.600 3.985 3.040 4.587 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLY H 1 4 GLY H . . 4.050 3.257 2.410 4.133 0.083 5 0 "[ . 1 . 2]" 1
22 1 4 GLY H 1 4 GLY QA . . 2.410 2.432 2.198 2.504 0.094 8 0 "[ . 1 . 2]" 1
23 1 4 GLY H 1 5 LEU H . . 2.400 2.454 2.295 2.486 0.086 4 0 "[ . 1 . 2]" 1
24 1 4 GLY QA 1 5 LEU H . . 2.800 2.532 2.272 2.756 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLY QA 1 5 LEU HA . . 4.340 4.040 3.863 4.144 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLY QA 1 5 LEU MD1 . . 5.500 5.483 5.305 5.609 0.109 12 0 "[ . 1 . 2]" 1
27 1 4 GLY QA 1 5 LEU MD2 . . 5.500 3.571 3.287 3.744 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU H 1 5 LEU HB2 . . 3.710 3.604 3.494 3.757 0.047 19 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 5 LEU HB3 . . 2.820 2.564 2.376 2.893 0.073 19 0 "[ . 1 . 2]" 1
30 1 5 LEU H 1 5 LEU MD1 . . 4.330 3.797 3.678 3.938 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU H 1 5 LEU MD2 . . 4.190 1.852 1.732 1.970 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 5 LEU HG . . 3.450 3.493 3.176 3.533 0.083 12 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 6 GLY H . . 3.240 2.795 2.562 3.018 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 62 ILE MG . . 4.360 4.232 3.786 4.452 0.092 11 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 66 GLN HG2 . . 4.940 4.895 4.532 5.022 0.082 19 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 66 GLN HG3 . . 4.760 4.609 4.104 4.833 0.073 6 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 5 LEU MD1 . . 4.100 4.083 4.010 4.128 0.028 14 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 5 LEU MD2 . . 3.720 3.657 3.594 3.755 0.035 11 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 5 LEU HG . . 4.120 3.806 3.733 3.882 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 7 GLY H . . 4.520 4.379 4.139 4.600 0.080 9 0 "[ . 1 . 2]" 1
41 1 5 LEU HA 1 8 TYR H . . 4.610 4.492 4.130 4.680 0.070 14 0 "[ . 1 . 2]" 1
42 1 5 LEU HA 1 8 TYR QD . . 3.770 3.490 2.396 3.852 0.082 10 0 "[ . 1 . 2]" 1
43 1 5 LEU HB2 1 5 LEU MD1 . . 3.480 2.291 2.215 2.354 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HB2 1 5 LEU MD2 . . 3.430 3.251 3.195 3.293 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HB2 1 5 LEU HG . . 2.610 2.482 2.355 2.616 0.006 11 0 "[ . 1 . 2]" 1
46 1 5 LEU HB2 1 6 GLY H . . 4.050 3.685 3.255 4.039 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HB2 1 7 GLY H . . 5.500 3.613 2.897 4.401 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU HB2 1 8 TYR H . . 4.780 2.667 2.227 3.031 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU HB2 1 8 TYR QD . . 5.090 2.846 2.044 3.188 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU HB3 1 5 LEU MD2 . . 3.340 2.409 2.280 2.534 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU HB3 1 6 GLY H . . 4.290 3.897 3.725 4.070 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HB3 1 8 TYR H . . 4.710 4.251 3.854 4.622 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HB3 1 42 TYR QE . . 4.700 4.788 4.761 4.803 0.103 17 0 "[ . 1 . 2]" 1
54 1 5 LEU HB3 1 66 GLN HE21 . . 4.810 4.141 3.177 4.874 0.064 3 0 "[ . 1 . 2]" 1
55 1 5 LEU HB3 1 66 GLN HG2 . . 4.650 3.899 3.212 4.347 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HB3 1 66 GLN HG3 . . 3.360 3.205 2.597 3.444 0.084 9 0 "[ . 1 . 2]" 1
57 1 5 LEU MD1 1 6 GLY H . . 5.120 3.840 3.472 4.231 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU MD1 1 8 TYR HB2 . . 5.500 2.279 2.041 3.043 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU MD1 1 8 TYR QD . . 5.500 3.843 3.502 4.048 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU MD1 1 42 TYR QE . . 5.260 2.341 2.126 2.746 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU MD1 1 62 ILE MG . . 3.530 3.605 3.241 3.672 0.142 16 0 "[ . 1 . 2]" 1
62 1 5 LEU MD2 1 6 GLY H . . 5.110 2.015 1.735 2.786 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU MD2 1 62 ILE MG . . 4.100 4.134 3.676 4.254 0.154 20 0 "[ . 1 . 2]" 1
64 1 5 LEU HG 1 6 GLY H . . 5.130 2.221 1.748 2.758 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU HG 1 6 GLY HA2 . . 4.090 3.921 3.647 4.200 0.110 2 0 "[ . 1 . 2]" 1
66 1 5 LEU HG 1 8 TYR QD . . 4.500 4.145 3.809 4.596 0.096 12 0 "[ . 1 . 2]" 1
67 1 5 LEU HG 1 62 ILE MG . . 5.370 5.154 4.629 5.449 0.079 13 0 "[ . 1 . 2]" 1
68 1 6 GLY H 1 6 GLY HA2 . . 2.960 2.368 2.314 2.470 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLY H 1 7 GLY H . . 3.900 3.384 2.278 3.875 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLY H 1 8 TYR H . . 5.480 4.416 3.852 4.812 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLY H 1 8 TYR QD . . 4.790 4.843 4.521 4.893 0.103 18 0 "[ . 1 . 2]" 1
72 1 6 GLY H 1 8 TYR QE . . 5.500 5.517 5.264 5.609 0.109 14 0 "[ . 1 . 2]" 1
73 1 6 GLY HA2 1 7 GLY H . . 3.250 3.508 3.106 3.648 0.398 11 0 "[ . 1 . 2]" 1
74 1 7 GLY H 1 7 GLY HA3 . . 2.700 2.763 2.505 3.008 0.308 7 0 "[ . 1 . 2]" 1
75 1 7 GLY H 1 8 TYR H . . 3.430 2.383 1.713 3.117 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 8 TYR HA . . 5.500 4.401 4.086 4.872 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 8 TYR HB2 . . 5.500 4.449 3.797 4.945 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY H 1 8 TYR QD . . 5.100 2.736 2.198 3.935 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY HA3 1 8 TYR H . . 3.510 3.550 3.377 3.615 0.105 20 0 "[ . 1 . 2]" 1
80 1 8 TYR H 1 8 TYR HB2 . . 3.130 2.384 2.240 2.505 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR H 1 8 TYR HB3 . . 3.810 3.571 3.481 3.667 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR H 1 8 TYR QD . . 3.220 2.476 1.983 3.018 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR H 1 8 TYR QE . . 5.500 4.625 4.187 5.200 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR H 1 9 MET H . . 5.490 4.591 4.447 4.689 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR H 1 44 ARG HG3 . . 5.500 5.194 4.067 5.586 0.086 18 0 "[ . 1 . 2]" 1
86 1 8 TYR HA 1 8 TYR QD . . 3.850 2.816 2.307 3.169 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR HA 1 8 TYR QE . . 5.500 4.656 4.375 4.992 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR HA 1 9 MET H . . 2.990 2.302 2.066 2.487 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR HA 1 9 MET HA . . 4.270 4.341 4.276 4.358 0.088 12 0 "[ . 1 . 2]" 1
90 1 8 TYR HA 1 9 MET QG . . 4.640 4.144 3.565 4.749 0.109 20 0 "[ . 1 . 2]" 1
91 1 8 TYR HA 1 44 ARG HA . . 3.680 3.275 2.288 3.769 0.089 18 0 "[ . 1 . 2]" 1
92 1 8 TYR HA 1 44 ARG HG2 . . 5.500 4.409 3.798 5.306 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HA 1 44 ARG HG3 . . 5.500 2.851 2.181 3.595 . 0 0 "[ . 1 . 2]" 1
94 1 8 TYR HB2 1 9 MET H . . 4.030 3.811 3.541 4.080 0.050 14 0 "[ . 1 . 2]" 1
95 1 8 TYR HB2 1 43 TYR H . . 4.990 4.328 3.995 4.892 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR HB3 1 9 MET H . . 3.850 2.573 2.174 2.937 . 0 0 "[ . 1 . 2]" 1
97 1 8 TYR HB3 1 43 TYR H . . 4.940 2.982 2.652 3.457 . 0 0 "[ . 1 . 2]" 1
98 1 8 TYR HB3 1 62 ILE MG . . 5.500 4.027 3.526 4.655 . 0 0 "[ . 1 . 2]" 1
99 1 8 TYR QD 1 9 MET H . . 4.710 4.232 3.446 4.570 . 0 0 "[ . 1 . 2]" 1
100 1 8 TYR QD 1 42 TYR HB3 . . 3.700 3.136 2.435 3.784 0.084 9 0 "[ . 1 . 2]" 1
101 1 8 TYR QD 1 43 TYR H . . 4.390 3.776 3.114 4.402 0.012 17 0 "[ . 1 . 2]" 1
102 1 8 TYR QD 1 43 TYR HA . . 2.700 2.339 1.932 2.804 0.104 20 0 "[ . 1 . 2]" 1
103 1 8 TYR QD 1 44 ARG H . . 4.750 3.959 3.186 4.548 . 0 0 "[ . 1 . 2]" 1
104 1 8 TYR QD 1 44 ARG HG3 . . 3.900 3.427 2.284 3.990 0.090 18 0 "[ . 1 . 2]" 1
105 1 8 TYR QD 1 62 ILE HG12 . . 4.520 4.497 3.686 4.614 0.094 12 0 "[ . 1 . 2]" 1
106 1 8 TYR QD 1 62 ILE HG13 . . 4.070 3.616 2.672 3.979 . 0 0 "[ . 1 . 2]" 1
107 1 8 TYR QD 1 62 ILE MG . . 5.150 2.489 2.203 2.925 . 0 0 "[ . 1 . 2]" 1
108 1 8 TYR QE 1 44 ARG H . . 4.900 4.514 4.011 4.973 0.073 13 0 "[ . 1 . 2]" 1
109 1 8 TYR QE 1 44 ARG QD . . 4.160 2.655 2.372 3.058 . 0 0 "[ . 1 . 2]" 1
110 1 8 TYR QE 1 44 ARG HG2 . . 5.000 4.539 4.013 4.859 . 0 0 "[ . 1 . 2]" 1
111 1 8 TYR QE 1 44 ARG HG3 . . 4.130 4.029 3.139 4.229 0.099 6 0 "[ . 1 . 2]" 1
112 1 8 TYR QE 1 62 ILE HG12 . . 4.890 3.076 2.653 4.197 . 0 0 "[ . 1 . 2]" 1
113 1 9 MET H 1 9 MET HB2 . . 3.640 2.524 1.996 3.702 0.062 8 0 "[ . 1 . 2]" 1
114 1 9 MET H 1 9 MET ME . . 5.500 4.332 1.876 5.007 . 0 0 "[ . 1 . 2]" 1
115 1 9 MET H 1 9 MET QG . . 3.830 2.810 1.957 3.473 . 0 0 "[ . 1 . 2]" 1
116 1 9 MET H 1 10 LEU H . . 5.330 4.460 4.234 4.553 . 0 0 "[ . 1 . 2]" 1
117 1 9 MET H 1 42 TYR HA . . 5.280 5.070 4.729 5.332 0.052 15 0 "[ . 1 . 2]" 1
118 1 9 MET H 1 42 TYR QD . . 5.310 4.343 3.696 4.838 . 0 0 "[ . 1 . 2]" 1
119 1 9 MET H 1 43 TYR H . . 3.770 3.426 3.150 3.681 . 0 0 "[ . 1 . 2]" 1
120 1 9 MET H 1 44 ARG HA . . 4.680 2.642 2.304 3.015 . 0 0 "[ . 1 . 2]" 1
121 1 9 MET H 1 45 PRO QD . . 5.500 3.690 3.219 4.178 . 0 0 "[ . 1 . 2]" 1
122 1 9 MET HA 1 9 MET ME . . 4.850 4.273 3.564 4.662 . 0 0 "[ . 1 . 2]" 1
123 1 9 MET HA 1 9 MET QG . . 3.280 2.554 2.200 3.393 0.113 14 0 "[ . 1 . 2]" 1
124 1 9 MET HA 1 10 LEU H . . 2.890 2.361 2.136 2.512 . 0 0 "[ . 1 . 2]" 1
125 1 9 MET HA 1 10 LEU HA . . 4.880 4.501 4.383 4.595 . 0 0 "[ . 1 . 2]" 1
126 1 9 MET HA 1 10 LEU HB3 . . 5.320 4.633 4.326 4.993 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET HB2 1 9 MET ME . . 4.970 2.694 2.213 3.438 . 0 0 "[ . 1 . 2]" 1
128 1 9 MET HB2 1 10 LEU H . . 4.460 3.742 2.407 4.516 0.056 1 0 "[ . 1 . 2]" 1
129 1 9 MET HB2 1 43 TYR H . . 5.240 4.024 3.606 5.305 0.065 8 0 "[ . 1 . 2]" 1
130 1 9 MET HB3 1 9 MET ME . . 3.440 2.559 2.102 3.654 0.214 10 0 "[ . 1 . 2]" 1
131 1 9 MET HB3 1 10 LEU H . . 4.670 2.930 2.241 3.890 . 0 0 "[ . 1 . 2]" 1
132 1 9 MET HB3 1 43 TYR H . . 5.300 4.712 3.805 5.398 0.098 14 0 "[ . 1 . 2]" 1
133 1 9 MET ME 1 10 LEU H . . 5.500 4.427 2.377 5.452 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET ME 1 43 TYR QE . . 5.150 3.870 2.729 5.269 0.119 10 0 "[ . 1 . 2]" 1
135 1 9 MET ME 1 44 ARG HA . . 4.740 4.320 1.906 4.840 0.100 13 0 "[ . 1 . 2]" 1
136 1 9 MET ME 1 45 PRO HA . . 4.520 2.875 2.031 4.614 0.094 10 0 "[ . 1 . 2]" 1
137 1 9 MET ME 1 45 PRO HB3 . . 4.720 2.770 2.056 4.650 . 0 0 "[ . 1 . 2]" 1
138 1 9 MET ME 1 45 PRO QD . . 4.830 3.182 1.823 4.084 . 0 0 "[ . 1 . 2]" 1
139 1 9 MET QG 1 10 LEU H . . 4.930 3.988 3.245 4.522 . 0 0 "[ . 1 . 2]" 1
140 1 9 MET QG 1 43 TYR H . . 5.500 5.108 3.040 5.584 0.084 16 0 "[ . 1 . 2]" 1
141 1 9 MET QG 1 44 ARG HA . . 3.940 3.220 2.228 4.008 0.068 1 0 "[ . 1 . 2]" 1
142 1 9 MET QG 1 45 PRO HA . . 4.200 4.116 3.485 4.301 0.101 10 0 "[ . 1 . 2]" 1
143 1 9 MET QG 1 45 PRO HB3 . . 4.360 3.976 2.292 4.447 0.087 2 0 "[ . 1 . 2]" 1
144 1 9 MET QG 1 45 PRO QD . . 5.500 2.114 1.945 2.789 . 0 0 "[ . 1 . 2]" 1
145 1 9 MET QG 1 45 PRO HG3 . . 5.250 3.027 2.169 4.486 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU H 1 10 LEU HB2 . . 3.250 2.823 2.545 3.223 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU H 1 10 LEU HB3 . . 3.400 2.630 2.314 2.936 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU H 1 10 LEU QD . . 4.610 3.761 3.628 3.959 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU H 1 10 LEU HG . . 5.500 4.730 4.426 4.973 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU H 1 11 GLY H . . 5.500 4.253 3.978 4.467 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU H 1 42 TYR QD . . 5.090 4.535 3.741 5.183 0.093 16 0 "[ . 1 . 2]" 1
152 1 10 LEU HA 1 10 LEU QD . . 2.920 2.259 2.054 2.871 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU HA 1 11 GLY H . . 2.940 2.117 2.002 2.264 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU HA 1 11 GLY HA2 . . 4.490 4.422 4.308 4.499 0.009 10 0 "[ . 1 . 2]" 1
155 1 10 LEU HA 1 11 GLY HA3 . . 5.390 4.324 4.239 4.406 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU HA 1 42 TYR HA . . 3.790 2.380 2.080 2.533 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU HA 1 43 TYR H . . 4.370 3.373 2.837 3.644 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU HB2 1 10 LEU QD . . 3.080 2.308 2.051 2.425 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU HB2 1 11 GLY H . . 5.500 4.329 4.101 4.450 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU HB2 1 42 TYR QD . . 3.950 3.347 2.385 3.995 0.045 2 0 "[ . 1 . 2]" 1
161 1 10 LEU HB2 1 42 TYR QE . . 3.840 2.876 2.366 3.674 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU HB2 1 43 TYR H . . 5.500 5.206 4.625 5.579 0.079 19 0 "[ . 1 . 2]" 1
163 1 10 LEU HB3 1 10 LEU QD . . 2.560 2.266 2.095 2.405 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU HB3 1 11 GLY H . . 4.740 4.138 3.497 4.355 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU HB3 1 42 TYR QE . . 5.330 4.460 3.890 5.195 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU QD 1 11 GLY H . . 3.710 2.282 1.892 2.464 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU QD 1 40 GLN H . . 5.500 4.146 3.859 4.400 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU QD 1 40 GLN HB2 . . 3.900 2.071 1.945 2.199 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU QD 1 40 GLN HB3 . . 4.020 2.467 2.019 3.151 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU QD 1 40 GLN HE21 . . 4.220 2.625 2.198 3.163 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU QD 1 40 GLN HE22 . . 3.940 2.696 2.417 2.928 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU QD 1 40 GLN HG2 . . 5.410 2.524 2.128 3.409 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU QD 1 40 GLN HG3 . . 3.820 3.572 3.359 4.035 0.215 15 0 "[ . 1 . 2]" 1
174 1 10 LEU QD 1 41 VAL H . . 4.800 2.844 2.285 3.169 . 0 0 "[ . 1 . 2]" 1
175 1 10 LEU QD 1 41 VAL HA . . 5.500 3.827 3.183 4.567 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU QD 1 42 TYR H . . 5.500 3.838 3.108 4.980 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU QD 1 42 TYR HA . . 4.310 2.822 2.144 3.780 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU QD 1 42 TYR QE . . 4.140 2.812 2.542 3.088 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU QD 1 43 TYR H . . 5.410 4.382 3.851 4.954 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU HG 1 11 GLY H . . 4.840 4.436 2.913 4.919 0.079 14 0 "[ . 1 . 2]" 1
181 1 10 LEU HG 1 40 GLN HE22 . . 4.260 4.325 4.281 4.350 0.090 16 0 "[ . 1 . 2]" 1
182 1 10 LEU HG 1 42 TYR QD . . 4.730 4.515 3.378 4.825 0.095 15 0 "[ . 1 . 2]" 1
183 1 11 GLY H 1 12 SER H . . 5.500 4.631 4.515 4.752 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLY H 1 40 GLN HB2 . . 5.500 3.904 3.032 4.549 . 0 0 "[ . 1 . 2]" 1
185 1 11 GLY H 1 41 VAL H . . 4.640 2.870 2.617 3.198 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLY H 1 41 VAL QG . . 5.170 3.317 3.063 3.631 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLY H 1 42 TYR HA . . 4.660 3.378 2.984 3.773 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLY H 1 43 TYR QD . . 4.730 3.585 3.013 4.233 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLY H 1 43 TYR QE . . 4.010 3.697 3.203 4.100 0.090 4 0 "[ . 1 . 2]" 1
190 1 11 GLY HA2 1 12 SER H . . 3.040 2.564 2.318 2.751 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLY HA2 1 41 VAL H . . 5.470 4.556 4.364 4.712 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLY HA2 1 41 VAL QG . . 5.500 4.073 3.684 4.423 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLY HA2 1 43 TYR QE . . 3.880 3.068 2.243 3.921 0.041 1 0 "[ . 1 . 2]" 1
194 1 11 GLY HA3 1 12 SER H . . 3.130 2.708 2.502 3.193 0.063 20 0 "[ . 1 . 2]" 1
195 1 11 GLY HA3 1 40 GLN HA . . 4.510 4.558 4.359 4.598 0.088 20 0 "[ . 1 . 2]" 1
196 1 11 GLY HA3 1 41 VAL H . . 5.500 2.939 2.687 3.142 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLY HA3 1 43 TYR QE . . 4.430 3.095 2.457 3.913 . 0 0 "[ . 1 . 2]" 1
198 1 12 SER H 1 12 SER HB2 . . 3.450 3.043 2.538 3.516 0.066 14 0 "[ . 1 . 2]" 1
199 1 12 SER H 1 12 SER HB3 . . 3.800 3.314 2.517 3.750 . 0 0 "[ . 1 . 2]" 1
200 1 12 SER H 1 13 ALA H . . 5.400 4.555 4.351 4.658 . 0 0 "[ . 1 . 2]" 1
201 1 12 SER H 1 41 VAL QG . . 5.370 4.529 4.111 5.206 . 0 0 "[ . 1 . 2]" 1
202 1 12 SER H 1 97 GLN HE21 . . 4.780 4.331 3.340 5.366 0.586 15 1 "[ . 1 + 2]" 1
203 1 12 SER H 1 97 GLN QG . . 5.500 3.139 2.609 3.770 . 0 0 "[ . 1 . 2]" 1
204 1 12 SER HA 1 12 SER HB3 . . 2.830 2.393 2.224 3.041 0.211 8 0 "[ . 1 . 2]" 1
205 1 12 SER HA 1 13 ALA H . . 2.870 2.152 1.889 2.352 . 0 0 "[ . 1 . 2]" 1
206 1 12 SER HA 1 13 ALA HA . . 4.580 4.308 4.097 4.559 . 0 0 "[ . 1 . 2]" 1
207 1 12 SER HA 1 13 ALA MB . . 4.640 3.986 3.755 4.235 . 0 0 "[ . 1 . 2]" 1
208 1 12 SER HA 1 40 GLN HA . . 5.010 5.097 5.082 5.110 0.100 14 0 "[ . 1 . 2]" 1
209 1 12 SER HA 1 40 GLN HG2 . . 5.500 3.821 3.009 4.487 . 0 0 "[ . 1 . 2]" 1
210 1 12 SER HB2 1 13 ALA H . . 3.620 3.437 2.686 3.832 0.212 8 0 "[ . 1 . 2]" 1
211 1 12 SER HB3 1 13 ALA H . . 3.750 3.229 2.516 3.827 0.077 14 0 "[ . 1 . 2]" 1
212 1 13 ALA H 1 13 ALA MB . . 3.030 2.244 2.160 2.371 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA H 1 40 GLN HA . . 5.500 4.716 4.389 5.159 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA H 1 40 GLN HB2 . . 5.500 5.442 4.870 5.573 0.073 8 0 "[ . 1 . 2]" 1
215 1 13 ALA H 1 40 GLN HB3 . . 5.350 4.022 3.384 4.248 . 0 0 "[ . 1 . 2]" 1
216 1 13 ALA H 1 40 GLN HG2 . . 4.560 3.296 2.849 3.668 . 0 0 "[ . 1 . 2]" 1
217 1 13 ALA H 1 40 GLN HG3 . . 5.180 3.792 3.470 4.182 . 0 0 "[ . 1 . 2]" 1
218 1 13 ALA HA 1 14 MET H . . 2.590 2.188 2.047 2.380 . 0 0 "[ . 1 . 2]" 1
219 1 13 ALA HA 1 39 ASN QB . . 5.220 3.235 2.280 4.266 . 0 0 "[ . 1 . 2]" 1
220 1 13 ALA HA 1 39 ASN HD21 . . 5.110 4.013 3.110 4.563 . 0 0 "[ . 1 . 2]" 1
221 1 13 ALA HA 1 39 ASN HD22 . . 5.500 4.750 3.741 5.583 0.083 9 0 "[ . 1 . 2]" 1
222 1 13 ALA HA 1 40 GLN HA . . 3.410 2.737 2.266 3.189 . 0 0 "[ . 1 . 2]" 1
223 1 13 ALA HA 1 40 GLN HB3 . . 4.400 3.349 2.808 3.615 . 0 0 "[ . 1 . 2]" 1
224 1 13 ALA HA 1 40 GLN HG2 . . 3.380 3.170 2.769 3.444 0.064 12 0 "[ . 1 . 2]" 1
225 1 13 ALA HA 1 40 GLN HG3 . . 3.410 2.310 2.054 2.645 . 0 0 "[ . 1 . 2]" 1
226 1 13 ALA MB 1 14 MET H . . 2.860 2.876 2.436 2.965 0.105 8 0 "[ . 1 . 2]" 1
227 1 13 ALA MB 1 14 MET HA . . 4.820 4.118 3.801 4.337 . 0 0 "[ . 1 . 2]" 1
228 1 13 ALA MB 1 39 ASN H . . 5.500 4.825 4.156 5.414 . 0 0 "[ . 1 . 2]" 1
229 1 13 ALA MB 1 39 ASN HD21 . . 3.740 2.332 1.665 3.125 . 0 0 "[ . 1 . 2]" 1
230 1 13 ALA MB 1 39 ASN HD22 . . 3.790 3.060 2.194 3.899 0.109 5 0 "[ . 1 . 2]" 1
231 1 13 ALA MB 1 40 GLN H . . 5.120 4.663 4.207 5.024 . 0 0 "[ . 1 . 2]" 1
232 1 13 ALA MB 1 40 GLN HB3 . . 4.970 4.165 3.703 4.516 . 0 0 "[ . 1 . 2]" 1
233 1 13 ALA MB 1 40 GLN HE22 . . 5.500 5.489 5.260 5.606 0.106 13 0 "[ . 1 . 2]" 1
234 1 13 ALA MB 1 40 GLN HG2 . . 3.590 2.883 2.381 3.386 . 0 0 "[ . 1 . 2]" 1
235 1 13 ALA MB 1 40 GLN HG3 . . 3.820 2.443 2.204 2.753 . 0 0 "[ . 1 . 2]" 1
236 1 14 MET H 1 14 MET QB . . 3.250 2.946 2.684 3.174 . 0 0 "[ . 1 . 2]" 1
237 1 14 MET H 1 14 MET HG2 . . 3.720 2.053 1.949 2.530 . 0 0 "[ . 1 . 2]" 1
238 1 14 MET H 1 14 MET HG3 . . 3.510 3.532 2.706 3.600 0.090 17 0 "[ . 1 . 2]" 1
239 1 14 MET H 1 15 SER H . . 4.540 4.453 4.326 4.605 0.065 2 0 "[ . 1 . 2]" 1
240 1 14 MET H 1 39 ASN HA . . 3.830 3.834 3.545 3.912 0.082 5 0 "[ . 1 . 2]" 1
241 1 14 MET H 1 39 ASN QB . . 3.760 3.036 1.958 3.697 . 0 0 "[ . 1 . 2]" 1
242 1 14 MET H 1 39 ASN HD21 . . 4.490 3.771 2.575 4.552 0.062 15 0 "[ . 1 . 2]" 1
243 1 14 MET H 1 39 ASN HD22 . . 5.320 4.727 2.933 5.398 0.078 16 0 "[ . 1 . 2]" 1
244 1 14 MET H 1 40 GLN HA . . 3.560 3.632 3.602 3.647 0.087 9 0 "[ . 1 . 2]" 1
245 1 14 MET HA 1 14 MET HG2 . . 4.010 3.622 3.528 3.834 . 0 0 "[ . 1 . 2]" 1
246 1 14 MET HA 1 15 SER H . . 2.750 2.573 2.420 2.819 0.069 14 0 "[ . 1 . 2]" 1
247 1 14 MET HA 1 15 SER HB2 . . 5.460 4.265 3.968 4.799 . 0 0 "[ . 1 . 2]" 1
248 1 14 MET HA 1 16 ARG H . . 5.500 4.144 3.861 4.581 . 0 0 "[ . 1 . 2]" 1
249 1 14 MET QB 1 14 MET ME . . 3.430 2.365 2.088 3.469 0.039 11 0 "[ . 1 . 2]" 1
250 1 14 MET QB 1 15 SER H . . 3.050 2.204 1.789 2.555 . 0 0 "[ . 1 . 2]" 1
251 1 14 MET QB 1 16 ARG H . . 5.110 2.841 2.482 3.405 . 0 0 "[ . 1 . 2]" 1
252 1 14 MET QB 1 16 ARG HA . . 5.500 4.218 3.757 4.967 . 0 0 "[ . 1 . 2]" 1
253 1 14 MET QB 1 96 THR MG . . 5.500 4.047 3.384 4.716 . 0 0 "[ . 1 . 2]" 1
254 1 14 MET ME 1 14 MET HG3 . . 2.900 2.429 2.147 3.214 0.314 9 0 "[ . 1 . 2]" 1
255 1 14 MET ME 1 15 SER H . . 4.600 4.650 4.044 4.713 0.113 11 0 "[ . 1 . 2]" 1
256 1 14 MET ME 1 16 ARG HA . . 3.960 3.974 3.412 4.076 0.116 19 0 "[ . 1 . 2]" 1
257 1 14 MET ME 1 40 GLN HA . . 4.210 4.295 4.145 4.322 0.112 1 0 "[ . 1 . 2]" 1
258 1 14 MET ME 1 41 VAL H . . 5.420 5.304 5.034 5.496 0.076 11 0 "[ . 1 . 2]" 1
259 1 14 MET ME 1 41 VAL QG . . 3.510 3.110 2.597 3.447 . 0 0 "[ . 1 . 2]" 1
260 1 14 MET ME 1 93 MET H . . 4.000 4.104 4.072 4.120 0.120 12 0 "[ . 1 . 2]" 1
261 1 14 MET ME 1 93 MET HA . . 3.940 2.043 1.880 2.295 . 0 0 "[ . 1 . 2]" 1
262 1 14 MET ME 1 93 MET QB . . 2.400 2.179 1.930 2.410 0.010 2 0 "[ . 1 . 2]" 1
263 1 14 MET ME 1 93 MET ME . . 3.440 3.281 3.043 3.544 0.104 7 0 "[ . 1 . 2]" 1
264 1 14 MET ME 1 93 MET HG2 . . 3.660 2.174 1.959 3.016 . 0 0 "[ . 1 . 2]" 1
265 1 14 MET ME 1 93 MET HG3 . . 4.340 3.432 3.159 3.847 . 0 0 "[ . 1 . 2]" 1
266 1 14 MET ME 1 94 CYS H . . 4.390 4.450 4.276 4.506 0.116 9 0 "[ . 1 . 2]" 1
267 1 14 MET ME 1 96 THR H . . 4.550 4.284 4.040 4.573 0.023 8 0 "[ . 1 . 2]" 1
268 1 14 MET ME 1 96 THR HB . . 3.390 2.697 2.257 2.948 . 0 0 "[ . 1 . 2]" 1
269 1 14 MET ME 1 96 THR MG . . 3.470 2.761 2.406 3.244 . 0 0 "[ . 1 . 2]" 1
270 1 14 MET ME 1 97 GLN H . . 3.480 3.418 3.059 3.577 0.097 8 0 "[ . 1 . 2]" 1
271 1 14 MET ME 1 97 GLN HA . . 5.170 4.199 3.735 4.603 . 0 0 "[ . 1 . 2]" 1
272 1 14 MET ME 1 97 GLN HB2 . . 4.210 3.314 2.484 4.161 . 0 0 "[ . 1 . 2]" 1
273 1 14 MET ME 1 97 GLN QG . . 4.210 3.082 2.401 4.126 . 0 0 "[ . 1 . 2]" 1
274 1 14 MET HG2 1 15 SER H . . 4.280 3.999 3.742 4.325 0.045 18 0 "[ . 1 . 2]" 1
275 1 14 MET HG2 1 39 ASN QB . . 5.500 4.074 3.655 4.528 . 0 0 "[ . 1 . 2]" 1
276 1 14 MET HG2 1 93 MET HG2 . . 5.500 4.234 3.669 5.444 . 0 0 "[ . 1 . 2]" 1
277 1 14 MET HG3 1 15 SER H . . 3.990 3.582 2.984 3.983 . 0 0 "[ . 1 . 2]" 1
278 1 14 MET HG3 1 16 ARG QB . . 5.500 4.469 3.852 5.166 . 0 0 "[ . 1 . 2]" 1
279 1 14 MET HG3 1 93 MET QB . . 4.960 4.187 3.868 4.826 . 0 0 "[ . 1 . 2]" 1
280 1 14 MET HG3 1 93 MET ME . . 4.390 3.538 2.603 4.494 0.104 12 0 "[ . 1 . 2]" 1
281 1 14 MET HG3 1 93 MET HG2 . . 4.240 3.148 2.552 4.489 0.249 9 0 "[ . 1 . 2]" 1
282 1 15 SER H 1 15 SER HB2 . . 3.070 2.104 1.822 2.552 . 0 0 "[ . 1 . 2]" 1
283 1 15 SER H 1 15 SER HB3 . . 3.050 3.005 2.600 3.162 0.112 13 0 "[ . 1 . 2]" 1
284 1 15 SER H 1 16 ARG H . . 2.400 2.428 2.152 2.488 0.088 15 0 "[ . 1 . 2]" 1
285 1 15 SER HA 1 15 SER HB2 . . 2.960 2.841 2.572 3.027 0.067 14 0 "[ . 1 . 2]" 1
286 1 15 SER HA 1 16 ARG H . . 3.410 3.294 3.194 3.427 0.017 15 0 "[ . 1 . 2]" 1
287 1 15 SER HA 1 16 ARG QB . . 4.330 4.242 3.308 4.429 0.099 9 0 "[ . 1 . 2]" 1
288 1 15 SER HB2 1 16 ARG H . . 3.720 3.664 3.061 4.025 0.305 16 0 "[ . 1 . 2]" 1
289 1 15 SER HB3 1 16 ARG H . . 3.950 3.542 2.727 4.041 0.091 2 0 "[ . 1 . 2]" 1
290 1 16 ARG H 1 16 ARG QB . . 3.730 3.274 2.680 3.508 . 0 0 "[ . 1 . 2]" 1
291 1 16 ARG H 1 16 ARG HD2 . . 5.020 4.365 3.306 5.188 0.168 4 0 "[ . 1 . 2]" 1
292 1 16 ARG H 1 16 ARG HD3 . . 5.100 4.214 2.750 5.192 0.092 5 0 "[ . 1 . 2]" 1
293 1 16 ARG H 1 16 ARG QG . . 3.860 3.399 2.700 3.825 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG HA 1 16 ARG HD2 . . 4.100 3.934 2.303 4.729 0.629 19 1 "[ . 1 . +2]" 1
295 1 16 ARG HA 1 16 ARG HD3 . . 5.500 3.892 2.997 4.392 . 0 0 "[ . 1 . 2]" 1
296 1 16 ARG HA 1 16 ARG QG . . 3.720 2.286 2.003 2.517 . 0 0 "[ . 1 . 2]" 1
297 1 16 ARG HA 1 17 PRO QD . . 3.560 2.071 2.008 2.188 . 0 0 "[ . 1 . 2]" 1
298 1 16 ARG HA 1 89 VAL QG . . 5.500 3.681 3.326 4.306 . 0 0 "[ . 1 . 2]" 1
299 1 16 ARG HA 1 93 MET ME . . 4.710 4.003 2.744 4.717 0.007 2 0 "[ . 1 . 2]" 1
300 1 16 ARG HA 1 93 MET HG3 . . 5.500 4.106 3.784 4.450 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG QB 1 34 MET ME . . 4.710 2.368 1.944 2.876 . 0 0 "[ . 1 . 2]" 1
302 1 16 ARG HD2 1 34 MET ME . . 4.920 4.080 2.327 4.861 . 0 0 "[ . 1 . 2]" 1
303 1 16 ARG HD3 1 34 MET ME . . 4.360 3.419 2.193 4.776 0.416 19 0 "[ . 1 . 2]" 1
304 1 16 ARG QG 1 17 PRO QD . . 4.250 3.061 2.222 3.751 . 0 0 "[ . 1 . 2]" 1
305 1 16 ARG QG 1 34 MET ME . . 4.610 3.134 2.367 3.841 . 0 0 "[ . 1 . 2]" 1
306 1 16 ARG QG 1 93 MET ME . . 3.970 3.059 2.014 3.940 . 0 0 "[ . 1 . 2]" 1
307 1 17 PRO HA 1 18 LEU H . . 3.000 2.223 2.092 2.409 . 0 0 "[ . 1 . 2]" 1
308 1 17 PRO HA 1 18 LEU HA . . 4.340 4.420 4.412 4.428 0.088 15 0 "[ . 1 . 2]" 1
309 1 17 PRO HA 1 18 LEU QB . . 4.950 4.147 3.816 4.535 . 0 0 "[ . 1 . 2]" 1
310 1 17 PRO HB2 1 18 LEU H . . 3.970 3.177 2.710 3.849 . 0 0 "[ . 1 . 2]" 1
311 1 17 PRO HB2 1 18 LEU HA . . 5.500 4.409 3.760 4.934 . 0 0 "[ . 1 . 2]" 1
312 1 17 PRO HB2 1 19 ILE MD . . 4.430 3.024 2.444 3.981 . 0 0 "[ . 1 . 2]" 1
313 1 17 PRO HB2 1 19 ILE HG13 . . 5.430 2.817 2.320 3.557 . 0 0 "[ . 1 . 2]" 1
314 1 17 PRO HB2 1 19 ILE MG . . 5.500 4.977 4.419 5.568 0.068 19 0 "[ . 1 . 2]" 1
315 1 17 PRO HB2 1 89 VAL QG . . 4.020 3.362 2.237 3.861 . 0 0 "[ . 1 . 2]" 1
316 1 17 PRO HB2 1 92 GLN HB3 . . 4.830 4.320 3.835 4.658 . 0 0 "[ . 1 . 2]" 1
317 1 17 PRO HB2 1 92 GLN HG3 . . 4.800 3.769 3.225 4.728 . 0 0 "[ . 1 . 2]" 1
318 1 17 PRO HB3 1 18 LEU H . . 4.180 3.707 3.051 4.250 0.070 4 0 "[ . 1 . 2]" 1
319 1 17 PRO HB3 1 19 ILE MD . . 5.500 4.286 3.660 5.356 . 0 0 "[ . 1 . 2]" 1
320 1 17 PRO HB3 1 89 VAL QG . . 4.980 4.235 3.639 4.524 . 0 0 "[ . 1 . 2]" 1
321 1 17 PRO HB3 1 92 GLN HB2 . . 4.670 4.318 3.501 4.709 0.039 16 0 "[ . 1 . 2]" 1
322 1 17 PRO HB3 1 92 GLN HG3 . . 5.500 4.523 3.537 5.566 0.066 17 0 "[ . 1 . 2]" 1
323 1 17 PRO QD 1 18 LEU H . . 5.500 4.851 4.746 4.982 . 0 0 "[ . 1 . 2]" 1
324 1 17 PRO QD 1 89 VAL HA . . 4.790 4.119 3.654 4.407 . 0 0 "[ . 1 . 2]" 1
325 1 17 PRO QD 1 89 VAL QG . . 3.570 1.962 1.866 2.170 . 0 0 "[ . 1 . 2]" 1
326 1 17 PRO QD 1 92 GLN HB2 . . 5.130 3.802 3.462 4.181 . 0 0 "[ . 1 . 2]" 1
327 1 17 PRO QD 1 93 MET ME . . 5.500 3.941 3.106 4.348 . 0 0 "[ . 1 . 2]" 1
328 1 17 PRO QD 1 93 MET HG2 . . 4.380 2.383 2.075 2.875 . 0 0 "[ . 1 . 2]" 1
329 1 17 PRO QD 1 93 MET HG3 . . 3.810 2.606 2.269 3.365 . 0 0 "[ . 1 . 2]" 1
330 1 17 PRO HG2 1 18 LEU H . . 4.930 4.901 4.541 5.005 0.075 5 0 "[ . 1 . 2]" 1
331 1 17 PRO HG2 1 19 ILE MD . . 5.020 2.676 2.248 3.465 . 0 0 "[ . 1 . 2]" 1
332 1 17 PRO HG2 1 89 VAL HA . . 4.220 2.997 2.537 3.343 . 0 0 "[ . 1 . 2]" 1
333 1 17 PRO HG2 1 89 VAL HB . . 4.600 4.452 3.501 4.664 0.064 4 0 "[ . 1 . 2]" 1
334 1 17 PRO HG2 1 89 VAL QG . . 4.530 2.078 2.006 2.232 . 0 0 "[ . 1 . 2]" 1
335 1 17 PRO HG2 1 92 GLN HB3 . . 4.650 3.629 3.302 4.399 . 0 0 "[ . 1 . 2]" 1
336 1 17 PRO HG2 1 93 MET HG3 . . 5.410 3.454 2.554 4.628 . 0 0 "[ . 1 . 2]" 1
337 1 17 PRO HG3 1 19 ILE MD . . 5.500 3.851 3.213 4.732 . 0 0 "[ . 1 . 2]" 1
338 1 17 PRO HG3 1 89 VAL QG . . 3.580 3.320 3.046 3.537 . 0 0 "[ . 1 . 2]" 1
339 1 17 PRO HG3 1 92 GLN H . . 5.500 4.890 4.368 5.345 . 0 0 "[ . 1 . 2]" 1
340 1 17 PRO HG3 1 92 GLN HB2 . . 3.860 2.468 2.183 2.802 . 0 0 "[ . 1 . 2]" 1
341 1 17 PRO HG3 1 92 GLN HB3 . . 4.260 2.747 2.304 3.383 . 0 0 "[ . 1 . 2]" 1
342 1 17 PRO HG3 1 92 GLN HG3 . . 4.650 3.644 3.105 4.322 . 0 0 "[ . 1 . 2]" 1
343 1 17 PRO HG3 1 93 MET HA . . 5.440 4.253 3.668 4.649 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU H 1 18 LEU QB . . 3.350 2.424 2.160 2.663 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU H 1 18 LEU QD . . 4.830 3.712 3.274 4.006 . 0 0 "[ . 1 . 2]" 1
346 1 18 LEU H 1 18 LEU HG . . 4.080 3.699 2.727 4.166 0.086 12 0 "[ . 1 . 2]" 1
347 1 18 LEU H 1 19 ILE H . . 5.500 4.274 3.695 4.606 . 0 0 "[ . 1 . 2]" 1
348 1 18 LEU H 1 30 TYR QE . . 5.050 5.066 4.739 5.160 0.110 16 0 "[ . 1 . 2]" 1
349 1 18 LEU HA 1 18 LEU QD . . 3.390 2.184 1.939 2.310 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU HA 1 18 LEU HG . . 3.830 3.019 2.187 3.415 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU HA 1 19 ILE H . . 3.140 2.271 2.074 2.399 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU HA 1 30 TYR QE . . 3.430 2.492 1.998 3.183 . 0 0 "[ . 1 . 2]" 1
353 1 18 LEU HA 1 34 MET ME . . 4.610 4.053 3.325 4.700 0.090 7 0 "[ . 1 . 2]" 1
354 1 18 LEU QB 1 18 LEU HG . . 2.400 2.331 2.254 2.368 . 0 0 "[ . 1 . 2]" 1
355 1 18 LEU QB 1 19 ILE H . . 4.540 3.481 2.711 4.054 . 0 0 "[ . 1 . 2]" 1
356 1 18 LEU QD 1 19 ILE H . . 4.060 2.773 1.683 3.651 . 0 0 "[ . 1 . 2]" 1
357 1 18 LEU QD 1 30 TYR QD . . 5.500 2.222 1.915 3.135 . 0 0 "[ . 1 . 2]" 1
358 1 18 LEU QD 1 30 TYR QE . . 4.640 2.427 2.088 2.944 . 0 0 "[ . 1 . 2]" 1
359 1 18 LEU QD 1 31 ARG H . . 4.660 3.426 3.064 3.875 . 0 0 "[ . 1 . 2]" 1
360 1 18 LEU QD 1 31 ARG HD2 . . 5.500 2.729 2.164 3.903 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU QD 1 31 ARG HD3 . . 5.370 3.818 3.058 4.218 . 0 0 "[ . 1 . 2]" 1
362 1 18 LEU QD 1 31 ARG HE . . 4.940 2.817 2.121 3.877 . 0 0 "[ . 1 . 2]" 1
363 1 18 LEU QD 1 31 ARG HG2 . . 5.500 3.957 3.705 4.224 . 0 0 "[ . 1 . 2]" 1
364 1 18 LEU QD 1 31 ARG HG3 . . 4.440 3.921 3.604 4.248 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU QD 1 31 ARG HH21 . . 5.000 3.499 2.136 5.077 0.077 16 0 "[ . 1 . 2]" 1
366 1 18 LEU QD 1 34 MET ME . . 3.710 2.828 2.074 3.562 . 0 0 "[ . 1 . 2]" 1
367 1 18 LEU HG 1 19 ILE H . . 5.500 4.274 2.800 5.341 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU HG 1 34 MET ME . . 5.270 4.242 2.893 5.365 0.095 12 0 "[ . 1 . 2]" 1
369 1 19 ILE H 1 19 ILE HB . . 3.740 2.741 2.357 3.107 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE H 1 19 ILE MD . . 5.310 3.823 2.184 4.346 . 0 0 "[ . 1 . 2]" 1
371 1 19 ILE H 1 19 ILE HG12 . . 4.180 4.010 3.522 4.257 0.077 11 0 "[ . 1 . 2]" 1
372 1 19 ILE H 1 19 ILE HG13 . . 4.180 2.841 2.204 3.299 . 0 0 "[ . 1 . 2]" 1
373 1 19 ILE H 1 20 HIS H . . 4.580 4.292 4.141 4.598 0.018 14 0 "[ . 1 . 2]" 1
374 1 19 ILE H 1 21 PHE QE . . 5.500 3.670 2.362 4.625 . 0 0 "[ . 1 . 2]" 1
375 1 19 ILE H 1 30 TYR QD . . 5.500 3.708 2.288 4.612 . 0 0 "[ . 1 . 2]" 1
376 1 19 ILE H 1 30 TYR QE . . 4.380 3.518 1.961 4.418 0.038 1 0 "[ . 1 . 2]" 1
377 1 19 ILE HA 1 19 ILE MD . . 4.100 3.971 3.609 4.061 . 0 0 "[ . 1 . 2]" 1
378 1 19 ILE HA 1 19 ILE HG12 . . 3.400 2.808 2.545 3.645 0.245 11 0 "[ . 1 . 2]" 1
379 1 19 ILE HA 1 19 ILE MG . . 3.420 2.421 2.290 2.648 . 0 0 "[ . 1 . 2]" 1
380 1 19 ILE HA 1 20 HIS H . . 2.590 2.251 2.070 2.497 . 0 0 "[ . 1 . 2]" 1
381 1 19 ILE HB 1 19 ILE MD . . 3.240 2.317 2.228 2.453 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE HB 1 19 ILE HG13 . . 2.700 2.581 2.424 2.997 0.297 11 0 "[ . 1 . 2]" 1
383 1 19 ILE HB 1 20 HIS H . . 3.930 3.698 3.150 3.995 0.065 17 0 "[ . 1 . 2]" 1
384 1 19 ILE HB 1 21 PHE QE . . 3.590 3.313 2.708 3.680 0.090 8 0 "[ . 1 . 2]" 1
385 1 19 ILE HB 1 21 PHE HZ . . 4.330 3.302 2.538 4.276 . 0 0 "[ . 1 . 2]" 1
386 1 19 ILE HB 1 30 TYR QE . . 5.500 4.989 4.066 5.594 0.094 17 0 "[ . 1 . 2]" 1
387 1 19 ILE MD 1 19 ILE MG . . 3.090 2.156 2.049 3.109 0.019 11 0 "[ . 1 . 2]" 1
388 1 19 ILE MD 1 88 ARG H . . 5.460 5.084 4.738 5.533 0.073 13 0 "[ . 1 . 2]" 1
389 1 19 ILE MD 1 88 ARG HB2 . . 4.400 4.111 3.622 4.497 0.097 16 0 "[ . 1 . 2]" 1
390 1 19 ILE MD 1 88 ARG HB3 . . 3.820 2.700 2.289 3.142 . 0 0 "[ . 1 . 2]" 1
391 1 19 ILE MD 1 88 ARG HE . . 5.040 4.672 3.817 5.126 0.086 12 0 "[ . 1 . 2]" 1
392 1 19 ILE MD 1 88 ARG HG2 . . 4.680 3.448 2.694 5.289 0.609 20 2 "[ . 1 - . +]" 1
393 1 19 ILE MD 1 88 ARG HG3 . . 5.210 3.231 2.452 4.707 . 0 0 "[ . 1 . 2]" 1
394 1 19 ILE MD 1 89 VAL H . . 4.400 3.501 3.168 3.754 . 0 0 "[ . 1 . 2]" 1
395 1 19 ILE MD 1 89 VAL HA . . 3.400 2.137 1.968 2.332 . 0 0 "[ . 1 . 2]" 1
396 1 19 ILE MD 1 89 VAL HB . . 5.310 3.144 2.765 4.172 . 0 0 "[ . 1 . 2]" 1
397 1 19 ILE MD 1 89 VAL QG . . 3.810 2.414 2.134 2.678 . 0 0 "[ . 1 . 2]" 1
398 1 19 ILE MD 1 92 GLN H . . 4.910 4.008 3.533 4.255 . 0 0 "[ . 1 . 2]" 1
399 1 19 ILE MD 1 92 GLN HB2 . . 4.480 3.251 2.769 3.781 . 0 0 "[ . 1 . 2]" 1
400 1 19 ILE MD 1 92 GLN HB3 . . 5.500 4.002 3.492 4.332 . 0 0 "[ . 1 . 2]" 1
401 1 19 ILE MD 1 92 GLN HE21 . . 5.500 4.391 3.653 4.811 . 0 0 "[ . 1 . 2]" 1
402 1 19 ILE MD 1 92 GLN HE22 . . 5.100 4.770 4.388 5.176 0.076 11 0 "[ . 1 . 2]" 1
403 1 19 ILE MD 1 92 GLN HG2 . . 3.840 2.933 2.401 3.526 . 0 0 "[ . 1 . 2]" 1
404 1 19 ILE MD 1 92 GLN HG3 . . 3.880 2.087 2.005 2.207 . 0 0 "[ . 1 . 2]" 1
405 1 19 ILE HG12 1 19 ILE MG . . 3.190 2.269 2.128 2.436 . 0 0 "[ . 1 . 2]" 1
406 1 19 ILE HG12 1 20 HIS H . . 4.360 4.448 4.203 4.903 0.543 11 1 "[ . 1+ . 2]" 1
407 1 19 ILE HG12 1 92 GLN HG3 . . 4.750 3.558 2.993 4.150 . 0 0 "[ . 1 . 2]" 1
408 1 19 ILE HG13 1 20 HIS H . . 4.870 4.914 4.446 4.956 0.086 13 0 "[ . 1 . 2]" 1
409 1 19 ILE MG 1 20 HIS H . . 3.160 2.236 1.722 2.639 . 0 0 "[ . 1 . 2]" 1
410 1 19 ILE MG 1 21 PHE H . . 5.500 3.758 1.802 5.127 . 0 0 "[ . 1 . 2]" 1
411 1 19 ILE MG 1 21 PHE QE . . 4.200 3.846 2.854 4.282 0.082 13 0 "[ . 1 . 2]" 1
412 1 19 ILE MG 1 21 PHE HZ . . 5.500 4.415 3.545 5.010 . 0 0 "[ . 1 . 2]" 1
413 1 19 ILE MG 1 88 ARG HB3 . . 4.070 3.819 2.834 4.150 0.080 13 0 "[ . 1 . 2]" 1
414 1 19 ILE MG 1 88 ARG HE . . 5.110 3.701 2.756 4.426 . 0 0 "[ . 1 . 2]" 1
415 1 19 ILE MG 1 88 ARG HG2 . . 4.760 3.147 2.469 5.148 0.388 20 0 "[ . 1 . 2]" 1
416 1 19 ILE MG 1 88 ARG HG3 . . 5.050 3.406 2.715 4.607 . 0 0 "[ . 1 . 2]" 1
417 1 19 ILE MG 1 88 ARG QH1 . . 5.500 5.736 4.747 6.623 1.123 13 7 "[ * *. *1 +** - 2]" 1
418 1 19 ILE MG 1 92 GLN HE22 . . 5.500 5.585 5.431 5.604 0.104 19 0 "[ . 1 . 2]" 1
419 1 20 HIS H 1 20 HIS QB . . 3.160 2.783 2.148 3.102 . 0 0 "[ . 1 . 2]" 1
420 1 20 HIS H 1 20 HIS HD2 . . 4.580 4.208 3.105 4.660 0.080 4 0 "[ . 1 . 2]" 1
421 1 20 HIS H 1 21 PHE H . . 4.790 3.744 2.225 4.650 . 0 0 "[ . 1 . 2]" 1
422 1 20 HIS HA 1 22 GLY H . . 4.110 4.039 3.653 4.191 0.081 6 0 "[ . 1 . 2]" 1
423 1 20 HIS QB 1 21 PHE H . . 4.090 2.848 2.075 3.753 . 0 0 "[ . 1 . 2]" 1
424 1 20 HIS QB 1 22 GLY H . . 5.170 3.391 2.714 3.759 . 0 0 "[ . 1 . 2]" 1
425 1 20 HIS QB 1 23 ASN H . . 3.920 2.900 2.335 3.355 . 0 0 "[ . 1 . 2]" 1
426 1 20 HIS QB 1 23 ASN HA . . 5.500 3.065 2.245 3.742 . 0 0 "[ . 1 . 2]" 1
427 1 20 HIS QB 1 23 ASN QB . . 5.240 4.667 4.116 5.130 . 0 0 "[ . 1 . 2]" 1
428 1 20 HIS HD2 1 21 PHE HB2 . . 5.420 5.305 4.704 5.510 0.090 3 0 "[ . 1 . 2]" 1
429 1 20 HIS HD2 1 22 GLY HA2 . . 5.130 4.347 3.000 6.110 0.980 4 1 "[ +. 1 . 2]" 1
430 1 21 PHE H 1 21 PHE HB3 . . 3.910 3.875 3.656 4.111 0.201 13 0 "[ . 1 . 2]" 1
431 1 21 PHE H 1 21 PHE QD . . 3.270 2.940 2.213 3.371 0.101 20 0 "[ . 1 . 2]" 1
432 1 21 PHE H 1 21 PHE QE . . 5.190 4.578 4.024 5.076 . 0 0 "[ . 1 . 2]" 1
433 1 21 PHE H 1 22 GLY H . . 3.370 2.529 1.730 3.463 0.093 13 0 "[ . 1 . 2]" 1
434 1 21 PHE H 1 23 ASN H . . 4.520 3.801 2.865 4.607 0.087 4 0 "[ . 1 . 2]" 1
435 1 21 PHE HA 1 21 PHE QD . . 3.730 2.929 2.361 3.174 . 0 0 "[ . 1 . 2]" 1
436 1 21 PHE HB2 1 22 GLY H . . 3.780 2.578 2.013 3.083 . 0 0 "[ . 1 . 2]" 1
437 1 21 PHE HB2 1 23 ASN H . . 5.500 4.512 3.586 5.235 . 0 0 "[ . 1 . 2]" 1
438 1 21 PHE HB2 1 26 GLU QB . . 3.940 2.241 1.984 2.586 . 0 0 "[ . 1 . 2]" 1
439 1 21 PHE HB3 1 22 GLY H . . 3.950 3.675 3.021 4.028 0.078 5 0 "[ . 1 . 2]" 1
440 1 21 PHE HB3 1 26 GLU QB . . 4.280 3.607 2.733 4.135 . 0 0 "[ . 1 . 2]" 1
441 1 21 PHE QD 1 22 GLY H . . 4.000 3.785 3.264 4.088 0.088 5 0 "[ . 1 . 2]" 1
442 1 21 PHE QD 1 27 ASP H . . 5.500 4.552 4.191 5.012 . 0 0 "[ . 1 . 2]" 1
443 1 21 PHE QD 1 27 ASP HA . . 3.320 3.204 2.717 3.413 0.093 6 0 "[ . 1 . 2]" 1
444 1 21 PHE QD 1 30 TYR HB2 . . 5.500 3.492 2.811 4.103 . 0 0 "[ . 1 . 2]" 1
445 1 21 PHE QE 1 30 TYR HB2 . . 3.150 2.666 2.113 3.221 0.071 4 0 "[ . 1 . 2]" 1
446 1 21 PHE QE 1 30 TYR HB3 . . 5.310 2.810 2.197 3.602 . 0 0 "[ . 1 . 2]" 1
447 1 21 PHE QE 1 30 TYR QD . . 3.350 3.026 2.499 3.306 . 0 0 "[ . 1 . 2]" 1
448 1 21 PHE QE 1 85 MET ME . . 4.790 3.724 3.163 4.561 . 0 0 "[ . 1 . 2]" 1
449 1 21 PHE QE 1 85 MET QG . . 5.500 3.533 2.791 4.671 . 0 0 "[ . 1 . 2]" 1
450 1 21 PHE QE 1 88 ARG HB3 . . 3.360 2.486 2.071 3.201 . 0 0 "[ . 1 . 2]" 1
451 1 21 PHE QE 1 88 ARG QD . . 4.900 3.478 2.155 4.596 . 0 0 "[ . 1 . 2]" 1
452 1 21 PHE QE 1 88 ARG HG2 . . 3.680 2.934 2.210 4.298 0.618 20 1 "[ . 1 . +]" 1
453 1 21 PHE HZ 1 85 MET HA . . 5.500 3.345 2.079 4.716 . 0 0 "[ . 1 . 2]" 1
454 1 22 GLY H 1 23 ASN H . . 3.290 2.136 1.731 2.541 . 0 0 "[ . 1 . 2]" 1
455 1 22 GLY H 1 23 ASN HD22 . . 5.500 5.256 4.589 5.579 0.079 19 0 "[ . 1 . 2]" 1
456 1 22 GLY HA3 1 26 GLU QB . . 5.500 3.323 2.223 4.539 . 0 0 "[ . 1 . 2]" 1
457 1 23 ASN H 1 23 ASN HD21 . . 3.400 2.608 1.966 3.474 0.074 20 0 "[ . 1 . 2]" 1
458 1 23 ASN H 1 23 ASN HD22 . . 3.610 3.670 3.534 3.705 0.095 4 0 "[ . 1 . 2]" 1
459 1 23 ASN H 1 24 ASP H . . 4.950 4.416 4.161 4.684 . 0 0 "[ . 1 . 2]" 1
460 1 23 ASN H 1 26 GLU H . . 4.490 3.866 2.768 4.535 0.045 7 0 "[ . 1 . 2]" 1
461 1 23 ASN H 1 26 GLU HG3 . . 5.490 4.724 3.026 5.558 0.068 20 0 "[ . 1 . 2]" 1
462 1 23 ASN H 1 27 ASP H . . 4.720 4.479 3.809 4.814 0.094 7 0 "[ . 1 . 2]" 1
463 1 23 ASN H 1 27 ASP HB2 . . 5.500 4.531 4.161 4.892 . 0 0 "[ . 1 . 2]" 1
464 1 23 ASN HA 1 24 ASP H . . 2.930 2.611 2.322 2.887 . 0 0 "[ . 1 . 2]" 1
465 1 23 ASN HA 1 25 TYR H . . 5.310 4.319 3.957 4.576 . 0 0 "[ . 1 . 2]" 1
466 1 23 ASN HA 1 27 ASP HB2 . . 5.190 4.483 3.527 5.243 0.053 1 0 "[ . 1 . 2]" 1
467 1 23 ASN QB 1 24 ASP H . . 3.140 2.151 1.883 2.418 . 0 0 "[ . 1 . 2]" 1
468 1 23 ASN QB 1 24 ASP QB . . 3.960 3.537 3.017 4.061 0.101 6 0 "[ . 1 . 2]" 1
469 1 23 ASN QB 1 25 TYR H . . 4.220 2.897 2.135 3.393 . 0 0 "[ . 1 . 2]" 1
470 1 23 ASN QB 1 26 GLU H . . 4.350 4.314 3.905 4.462 0.112 11 0 "[ . 1 . 2]" 1
471 1 24 ASP H 1 24 ASP QB . . 3.070 2.202 1.947 2.736 . 0 0 "[ . 1 . 2]" 1
472 1 24 ASP H 1 25 TYR H . . 3.840 2.968 2.590 3.321 . 0 0 "[ . 1 . 2]" 1
473 1 24 ASP H 1 27 ASP H . . 5.500 4.680 4.462 4.840 . 0 0 "[ . 1 . 2]" 1
474 1 24 ASP HA 1 25 TYR HA . . 4.860 4.831 4.585 4.921 0.061 4 0 "[ . 1 . 2]" 1
475 1 24 ASP HA 1 27 ASP HB2 . . 4.740 2.696 2.159 3.432 . 0 0 "[ . 1 . 2]" 1
476 1 24 ASP HA 1 27 ASP HB3 . . 4.880 2.151 1.960 2.539 . 0 0 "[ . 1 . 2]" 1
477 1 24 ASP HA 1 28 ARG H . . 4.990 3.580 3.127 4.036 . 0 0 "[ . 1 . 2]" 1
478 1 24 ASP HA 1 28 ARG HE . . 5.290 5.292 4.629 5.376 0.086 9 0 "[ . 1 . 2]" 1
479 1 24 ASP QB 1 25 TYR H . . 3.320 3.004 2.536 3.387 0.067 16 0 "[ . 1 . 2]" 1
480 1 24 ASP QB 1 25 TYR HB2 . . 4.620 4.517 4.052 4.724 0.104 7 0 "[ . 1 . 2]" 1
481 1 24 ASP QB 1 26 GLU H . . 5.500 5.214 4.779 5.584 0.084 16 0 "[ . 1 . 2]" 1
482 1 25 TYR H 1 25 TYR HB2 . . 3.410 2.201 2.045 2.426 . 0 0 "[ . 1 . 2]" 1
483 1 25 TYR H 1 25 TYR HB3 . . 3.300 2.896 2.679 3.385 0.085 7 0 "[ . 1 . 2]" 1
484 1 25 TYR H 1 25 TYR QD . . 3.940 3.882 2.865 4.034 0.094 6 0 "[ . 1 . 2]" 1
485 1 25 TYR H 1 26 GLU H . . 4.370 2.745 2.514 3.037 . 0 0 "[ . 1 . 2]" 1
486 1 25 TYR H 1 27 ASP H . . 3.540 3.570 3.373 3.627 0.087 6 0 "[ . 1 . 2]" 1
487 1 25 TYR HA 1 25 TYR HB2 . . 3.040 2.702 2.596 3.006 . 0 0 "[ . 1 . 2]" 1
488 1 25 TYR HA 1 25 TYR QD . . 3.350 2.770 2.356 3.102 . 0 0 "[ . 1 . 2]" 1
489 1 25 TYR HA 1 25 TYR QE . . 4.650 4.475 4.279 4.692 0.042 8 0 "[ . 1 . 2]" 1
490 1 25 TYR HA 1 27 ASP H . . 4.150 4.184 4.050 4.250 0.100 16 0 "[ . 1 . 2]" 1
491 1 25 TYR HA 1 28 ARG H . . 5.500 4.185 3.873 4.480 . 0 0 "[ . 1 . 2]" 1
492 1 25 TYR HA 1 28 ARG QB . . 4.890 4.347 3.197 4.966 0.076 1 0 "[ . 1 . 2]" 1
493 1 25 TYR HA 1 29 TYR H . . 4.910 4.522 4.020 4.960 0.050 4 0 "[ . 1 . 2]" 1
494 1 25 TYR HB2 1 26 GLU H . . 3.240 3.243 1.989 3.334 0.094 15 0 "[ . 1 . 2]" 1
495 1 25 TYR HB3 1 26 GLU H . . 3.230 2.287 1.954 3.301 0.071 7 0 "[ . 1 . 2]" 1
496 1 25 TYR HB3 1 28 ARG HE . . 5.270 4.916 4.590 5.340 0.070 19 0 "[ . 1 . 2]" 1
497 1 25 TYR QD 1 26 GLU H . . 5.500 3.817 3.228 4.255 . 0 0 "[ . 1 . 2]" 1
498 1 25 TYR QD 1 26 GLU HG2 . . 3.510 3.466 2.476 4.438 0.928 3 5 "[ +-. 1 * * * 2]" 1
499 1 26 GLU H 1 26 GLU QB . . 3.400 2.362 2.136 2.707 . 0 0 "[ . 1 . 2]" 1
500 1 26 GLU H 1 26 GLU HG2 . . 3.600 3.193 2.169 4.073 0.473 4 0 "[ . 1 . 2]" 1
501 1 26 GLU H 1 26 GLU HG3 . . 4.160 2.903 2.179 3.709 . 0 0 "[ . 1 . 2]" 1
502 1 26 GLU H 1 27 ASP H . . 3.340 2.498 2.185 2.741 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLU HA 1 26 GLU HG2 . . 4.180 2.600 2.318 3.345 . 0 0 "[ . 1 . 2]" 1
504 1 26 GLU HA 1 26 GLU HG3 . . 3.480 3.221 2.507 3.578 0.098 7 0 "[ . 1 . 2]" 1
505 1 26 GLU HA 1 29 TYR H . . 4.430 3.259 2.863 3.552 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLU HA 1 29 TYR HB2 . . 3.810 2.756 2.392 3.311 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLU HA 1 29 TYR HB3 . . 4.180 2.253 2.016 2.665 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLU HA 1 30 TYR H . . 5.500 3.776 3.408 4.089 . 0 0 "[ . 1 . 2]" 1
509 1 26 GLU HA 1 85 MET ME . . 4.040 3.192 2.779 3.486 . 0 0 "[ . 1 . 2]" 1
510 1 26 GLU QB 1 26 GLU HG3 . . 2.470 2.286 2.057 2.505 0.035 3 0 "[ . 1 . 2]" 1
511 1 26 GLU QB 1 27 ASP H . . 5.500 3.165 2.938 3.368 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLU QB 1 85 MET ME . . 3.070 2.219 1.890 2.446 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU HG2 1 85 MET ME . . 4.690 3.577 2.222 4.669 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLU HG3 1 85 MET ME . . 4.110 4.043 3.533 4.749 0.639 6 1 "[ .+ 1 . 2]" 1
515 1 27 ASP H 1 27 ASP HB2 . . 3.450 2.470 2.237 2.685 . 0 0 "[ . 1 . 2]" 1
516 1 27 ASP H 1 27 ASP HB3 . . 3.000 2.590 2.395 2.781 . 0 0 "[ . 1 . 2]" 1
517 1 27 ASP H 1 28 ARG H . . 2.400 2.479 2.447 2.493 0.093 2 0 "[ . 1 . 2]" 1
518 1 27 ASP H 1 29 TYR H . . 4.430 3.698 3.573 3.938 . 0 0 "[ . 1 . 2]" 1
519 1 27 ASP HA 1 30 TYR H . . 4.540 3.691 3.440 4.461 . 0 0 "[ . 1 . 2]" 1
520 1 27 ASP HB2 1 28 ARG H . . 3.650 3.670 3.485 3.728 0.078 14 0 "[ . 1 . 2]" 1
521 1 27 ASP HB3 1 28 ARG H . . 3.030 2.444 2.310 2.650 . 0 0 "[ . 1 . 2]" 1
522 1 28 ARG H 1 28 ARG QB . . 3.120 2.328 1.845 2.756 . 0 0 "[ . 1 . 2]" 1
523 1 28 ARG H 1 28 ARG QD . . 3.760 3.494 2.206 3.862 0.102 1 0 "[ . 1 . 2]" 1
524 1 28 ARG H 1 28 ARG HE . . 3.600 3.512 2.760 3.690 0.090 17 0 "[ . 1 . 2]" 1
525 1 28 ARG H 1 28 ARG QG . . 4.090 3.004 2.164 3.872 . 0 0 "[ . 1 . 2]" 1
526 1 28 ARG H 1 29 TYR H . . 3.800 2.475 2.344 2.719 . 0 0 "[ . 1 . 2]" 1
527 1 28 ARG H 1 30 TYR H . . 4.090 4.141 4.005 4.177 0.087 4 0 "[ . 1 . 2]" 1
528 1 28 ARG HA 1 28 ARG QD . . 5.060 4.106 3.678 4.355 . 0 0 "[ . 1 . 2]" 1
529 1 28 ARG HA 1 30 TYR H . . 5.310 4.370 4.118 4.550 . 0 0 "[ . 1 . 2]" 1
530 1 28 ARG HA 1 31 ARG H . . 4.030 3.190 2.732 3.570 . 0 0 "[ . 1 . 2]" 1
531 1 28 ARG HA 1 31 ARG HB2 . . 4.750 4.648 4.177 4.821 0.071 12 0 "[ . 1 . 2]" 1
532 1 28 ARG HA 1 31 ARG HB3 . . 3.990 3.539 2.813 4.060 0.070 11 0 "[ . 1 . 2]" 1
533 1 28 ARG HA 1 31 ARG HD3 . . 3.870 2.510 2.048 3.690 . 0 0 "[ . 1 . 2]" 1
534 1 28 ARG HA 1 31 ARG HE . . 5.390 4.677 2.505 5.083 . 0 0 "[ . 1 . 2]" 1
535 1 28 ARG HA 1 31 ARG HG2 . . 2.820 2.176 1.992 2.892 0.072 3 0 "[ . 1 . 2]" 1
536 1 28 ARG HA 1 31 ARG HG3 . . 4.860 3.673 3.305 4.343 . 0 0 "[ . 1 . 2]" 1
537 1 28 ARG HA 1 32 GLU H . . 4.390 4.207 3.566 4.480 0.090 14 0 "[ . 1 . 2]" 1
538 1 28 ARG HA 1 32 GLU QG . . 5.500 3.839 2.894 4.524 . 0 0 "[ . 1 . 2]" 1
539 1 28 ARG QB 1 28 ARG QD . . 2.530 2.392 2.028 2.644 0.114 18 0 "[ . 1 . 2]" 1
540 1 28 ARG QB 1 28 ARG HE . . 4.340 2.863 1.672 3.795 . 0 0 "[ . 1 . 2]" 1
541 1 28 ARG QB 1 29 TYR H . . 3.470 3.151 2.106 3.577 0.107 6 0 "[ . 1 . 2]" 1
542 1 28 ARG QB 1 31 ARG HD2 . . 5.220 3.923 2.764 4.776 . 0 0 "[ . 1 . 2]" 1
543 1 28 ARG QB 1 31 ARG HD3 . . 5.250 3.208 2.533 4.387 . 0 0 "[ . 1 . 2]" 1
544 1 28 ARG QD 1 29 TYR H . . 5.500 3.437 1.903 4.943 . 0 0 "[ . 1 . 2]" 1
545 1 28 ARG HE 1 29 TYR QD . . 5.500 5.465 4.672 5.601 0.101 15 0 "[ . 1 . 2]" 1
546 1 28 ARG QG 1 29 TYR H . . 4.440 3.013 2.012 4.038 . 0 0 "[ . 1 . 2]" 1
547 1 28 ARG QG 1 32 GLU QG . . 4.110 3.447 2.752 3.944 . 0 0 "[ . 1 . 2]" 1
548 1 29 TYR H 1 29 TYR HB2 . . 3.400 2.362 2.176 2.606 . 0 0 "[ . 1 . 2]" 1
549 1 29 TYR H 1 29 TYR HB3 . . 3.450 2.639 2.448 2.812 . 0 0 "[ . 1 . 2]" 1
550 1 29 TYR H 1 29 TYR QD . . 4.420 4.131 4.009 4.255 . 0 0 "[ . 1 . 2]" 1
551 1 29 TYR H 1 30 TYR H . . 3.510 2.777 2.592 3.055 . 0 0 "[ . 1 . 2]" 1
552 1 29 TYR H 1 85 MET ME . . 4.950 4.989 4.708 5.061 0.111 13 0 "[ . 1 . 2]" 1
553 1 29 TYR HA 1 29 TYR QD . . 3.820 3.015 2.746 3.228 . 0 0 "[ . 1 . 2]" 1
554 1 29 TYR HA 1 32 GLU H . . 4.660 3.872 3.565 4.228 . 0 0 "[ . 1 . 2]" 1
555 1 29 TYR HA 1 32 GLU QB . . 3.810 3.183 2.819 3.669 . 0 0 "[ . 1 . 2]" 1
556 1 29 TYR HA 1 33 ASN H . . 5.500 5.015 4.565 5.545 0.045 14 0 "[ . 1 . 2]" 1
557 1 29 TYR HA 1 33 ASN HD21 . . 5.500 3.695 2.664 4.448 . 0 0 "[ . 1 . 2]" 1
558 1 29 TYR HA 1 33 ASN HD22 . . 4.720 4.007 3.048 5.094 0.374 3 0 "[ . 1 . 2]" 1
559 1 29 TYR HB2 1 30 TYR H . . 3.860 3.737 3.567 3.923 0.063 19 0 "[ . 1 . 2]" 1
560 1 29 TYR HB2 1 85 MET ME . . 4.760 4.420 4.089 4.806 0.046 3 0 "[ . 1 . 2]" 1
561 1 29 TYR HB3 1 30 TYR H . . 3.470 2.485 2.231 2.670 . 0 0 "[ . 1 . 2]" 1
562 1 29 TYR HB3 1 85 MET ME . . 3.800 3.032 2.634 3.400 . 0 0 "[ . 1 . 2]" 1
563 1 29 TYR QD 1 30 TYR H . . 3.620 3.533 3.113 3.703 0.083 7 0 "[ . 1 . 2]" 1
564 1 29 TYR QD 1 30 TYR HA . . 3.670 3.353 2.856 3.738 0.068 14 0 "[ . 1 . 2]" 1
565 1 29 TYR QD 1 33 ASN HD21 . . 5.450 3.663 2.874 4.343 . 0 0 "[ . 1 . 2]" 1
566 1 29 TYR QD 1 33 ASN HD22 . . 4.830 3.542 2.439 4.907 0.077 12 0 "[ . 1 . 2]" 1
567 1 29 TYR QD 1 85 MET ME . . 3.740 2.770 2.233 3.692 . 0 0 "[ . 1 . 2]" 1
568 1 30 TYR H 1 30 TYR HB2 . . 3.410 2.578 2.382 2.736 . 0 0 "[ . 1 . 2]" 1
569 1 30 TYR H 1 30 TYR HB3 . . 3.170 2.262 2.014 2.404 . 0 0 "[ . 1 . 2]" 1
570 1 30 TYR H 1 30 TYR QD . . 4.030 4.056 3.876 4.114 0.084 20 0 "[ . 1 . 2]" 1
571 1 30 TYR H 1 31 ARG H . . 3.590 2.856 2.703 2.984 . 0 0 "[ . 1 . 2]" 1
572 1 30 TYR H 1 31 ARG HB3 . . 4.940 4.992 4.906 5.016 0.076 13 0 "[ . 1 . 2]" 1
573 1 30 TYR H 1 85 MET ME . . 3.890 3.602 3.133 3.896 0.006 10 0 "[ . 1 . 2]" 1
574 1 30 TYR HA 1 30 TYR QD . . 3.420 2.796 2.360 3.208 . 0 0 "[ . 1 . 2]" 1
575 1 30 TYR HA 1 32 GLU H . . 5.500 4.065 3.841 4.304 . 0 0 "[ . 1 . 2]" 1
576 1 30 TYR HA 1 33 ASN H . . 3.640 3.623 3.152 3.724 0.084 19 0 "[ . 1 . 2]" 1
577 1 30 TYR HA 1 33 ASN HB3 . . 5.500 5.156 4.419 5.610 0.110 17 0 "[ . 1 . 2]" 1
578 1 30 TYR HA 1 33 ASN HD21 . . 4.190 3.599 2.729 4.427 0.237 17 0 "[ . 1 . 2]" 1
579 1 30 TYR HA 1 37 TYR QE . . 5.500 3.652 2.994 4.118 . 0 0 "[ . 1 . 2]" 1
580 1 30 TYR HA 1 85 MET ME . . 4.300 3.924 3.088 4.384 0.084 10 0 "[ . 1 . 2]" 1
581 1 30 TYR HB2 1 31 ARG H . . 4.090 3.950 3.818 4.128 0.038 17 0 "[ . 1 . 2]" 1
582 1 30 TYR HB2 1 85 MET ME . . 4.020 2.927 2.074 3.415 . 0 0 "[ . 1 . 2]" 1
583 1 30 TYR HB3 1 31 ARG H . . 3.530 2.561 2.363 2.781 . 0 0 "[ . 1 . 2]" 1
584 1 30 TYR HB3 1 31 ARG HA . . 5.060 4.446 4.179 4.724 . 0 0 "[ . 1 . 2]" 1
585 1 30 TYR HB3 1 85 MET ME . . 5.500 4.119 3.492 4.505 . 0 0 "[ . 1 . 2]" 1
586 1 30 TYR QD 1 31 ARG H . . 3.840 2.988 2.593 3.542 . 0 0 "[ . 1 . 2]" 1
587 1 30 TYR QD 1 34 MET ME . . 5.200 4.089 3.477 5.289 0.089 6 0 "[ . 1 . 2]" 1
588 1 30 TYR QD 1 37 TYR QE . . 3.740 2.530 2.067 2.984 . 0 0 "[ . 1 . 2]" 1
589 1 30 TYR QD 1 85 MET HB3 . . 3.340 2.229 2.057 2.539 . 0 0 "[ . 1 . 2]" 1
590 1 30 TYR QD 1 85 MET ME . . 5.500 3.967 3.140 4.559 . 0 0 "[ . 1 . 2]" 1
591 1 30 TYR QE 1 34 MET ME . . 4.160 2.764 2.157 4.107 . 0 0 "[ . 1 . 2]" 1
592 1 30 TYR QE 1 37 TYR QD . . 2.680 2.746 2.606 2.797 0.117 14 0 "[ . 1 . 2]" 1
593 1 30 TYR QE 1 37 TYR QE . . 3.740 2.607 2.240 3.013 . 0 0 "[ . 1 . 2]" 1
594 1 30 TYR QE 1 85 MET QG . . 5.330 4.833 4.115 5.143 . 0 0 "[ . 1 . 2]" 1
595 1 30 TYR QE 1 89 VAL HB . . 4.290 3.388 2.474 4.376 0.086 17 0 "[ . 1 . 2]" 1
596 1 30 TYR QE 1 89 VAL QG . . 3.640 2.879 2.253 3.218 . 0 0 "[ . 1 . 2]" 1
597 1 31 ARG H 1 31 ARG HB3 . . 3.020 2.287 2.166 2.386 . 0 0 "[ . 1 . 2]" 1
598 1 31 ARG H 1 31 ARG HD2 . . 4.140 3.744 3.261 4.229 0.089 17 0 "[ . 1 . 2]" 1
599 1 31 ARG H 1 31 ARG HD3 . . 5.000 4.496 4.169 4.858 . 0 0 "[ . 1 . 2]" 1
600 1 31 ARG H 1 31 ARG HG2 . . 3.240 2.669 2.178 3.004 . 0 0 "[ . 1 . 2]" 1
601 1 31 ARG H 1 31 ARG HG3 . . 4.100 3.962 3.564 4.167 0.067 3 0 "[ . 1 . 2]" 1
602 1 31 ARG H 1 32 GLU H . . 2.720 2.791 2.763 2.802 0.082 11 0 "[ . 1 . 2]" 1
603 1 31 ARG HA 1 31 ARG HE . . 5.050 4.881 4.429 5.132 0.082 14 0 "[ . 1 . 2]" 1
604 1 31 ARG HA 1 31 ARG HG3 . . 3.920 3.750 3.659 3.865 . 0 0 "[ . 1 . 2]" 1
605 1 31 ARG HA 1 33 ASN H . . 4.690 3.894 3.601 4.208 . 0 0 "[ . 1 . 2]" 1
606 1 31 ARG HA 1 34 MET H . . 4.810 3.271 3.007 3.893 . 0 0 "[ . 1 . 2]" 1
607 1 31 ARG HA 1 34 MET ME . . 3.830 3.383 2.701 3.837 0.007 16 0 "[ . 1 . 2]" 1
608 1 31 ARG HA 1 34 MET QG . . 5.400 2.655 2.043 3.386 . 0 0 "[ . 1 . 2]" 1
609 1 31 ARG HB2 1 31 ARG HD2 . . 4.160 3.155 2.769 3.863 . 0 0 "[ . 1 . 2]" 1
610 1 31 ARG HB2 1 31 ARG HE . . 4.480 2.707 2.169 3.434 . 0 0 "[ . 1 . 2]" 1
611 1 31 ARG HB2 1 31 ARG HG3 . . 2.400 2.388 2.334 2.442 0.042 17 0 "[ . 1 . 2]" 1
612 1 31 ARG HB3 1 31 ARG HD2 . . 3.950 2.355 2.215 3.638 . 0 0 "[ . 1 . 2]" 1
613 1 31 ARG HB3 1 31 ARG HD3 . . 3.500 3.511 3.204 3.584 0.084 3 0 "[ . 1 . 2]" 1
614 1 31 ARG HB3 1 31 ARG HE . . 4.510 3.374 2.102 3.967 . 0 0 "[ . 1 . 2]" 1
615 1 31 ARG HB3 1 31 ARG HG2 . . 3.030 2.579 2.464 2.685 . 0 0 "[ . 1 . 2]" 1
616 1 31 ARG HG2 1 32 GLU H . . 3.520 2.920 2.510 3.354 . 0 0 "[ . 1 . 2]" 1
617 1 31 ARG HG2 1 32 GLU QG . . 4.890 2.911 2.316 3.888 . 0 0 "[ . 1 . 2]" 1
618 1 31 ARG HG2 1 33 ASN H . . 5.500 5.103 4.761 5.406 . 0 0 "[ . 1 . 2]" 1
619 1 31 ARG HG3 1 32 GLU QB . . 5.070 4.802 4.396 5.147 0.077 8 0 "[ . 1 . 2]" 1
620 1 32 GLU H 1 32 GLU QB . . 2.990 2.295 2.187 2.482 . 0 0 "[ . 1 . 2]" 1
621 1 32 GLU H 1 32 GLU QG . . 3.330 2.799 2.327 3.143 . 0 0 "[ . 1 . 2]" 1
622 1 32 GLU H 1 33 ASN H . . 3.180 2.342 2.122 2.500 . 0 0 "[ . 1 . 2]" 1
623 1 32 GLU H 1 33 ASN HD21 . . 4.560 3.629 3.139 4.296 . 0 0 "[ . 1 . 2]" 1
624 1 32 GLU H 1 33 ASN HD22 . . 4.220 4.469 4.298 4.642 0.422 4 0 "[ . 1 . 2]" 1
625 1 32 GLU H 1 34 MET H . . 3.690 3.759 3.727 3.783 0.093 14 0 "[ . 1 . 2]" 1
626 1 32 GLU HA 1 32 GLU QG . . 3.360 2.331 2.091 2.744 . 0 0 "[ . 1 . 2]" 1
627 1 32 GLU HA 1 34 MET H . . 4.870 4.296 3.595 4.621 . 0 0 "[ . 1 . 2]" 1
628 1 32 GLU QB 1 33 ASN H . . 3.380 3.091 2.833 3.435 0.055 6 0 "[ . 1 . 2]" 1
629 1 32 GLU QB 1 33 ASN HD21 . . 4.370 3.098 2.565 3.695 . 0 0 "[ . 1 . 2]" 1
630 1 32 GLU QB 1 33 ASN HD22 . . 4.250 3.533 2.375 4.476 0.226 2 0 "[ . 1 . 2]" 1
631 1 32 GLU QB 1 34 MET H . . 4.720 4.740 4.485 4.823 0.103 14 0 "[ . 1 . 2]" 1
632 1 32 GLU QG 1 33 ASN H . . 5.030 4.432 4.239 4.671 . 0 0 "[ . 1 . 2]" 1
633 1 33 ASN H 1 33 ASN HB2 . . 3.270 3.070 2.515 3.786 0.516 2 4 "[ +* . *1 .- 2]" 1
634 1 33 ASN H 1 33 ASN HB3 . . 3.700 3.509 3.005 3.765 0.065 11 0 "[ . 1 . 2]" 1
635 1 33 ASN H 1 33 ASN HD21 . . 3.750 2.697 2.163 3.284 . 0 0 "[ . 1 . 2]" 1
636 1 33 ASN H 1 33 ASN HD22 . . 4.170 3.732 3.375 4.033 . 0 0 "[ . 1 . 2]" 1
637 1 33 ASN H 1 34 MET H . . 3.000 2.103 1.930 2.314 . 0 0 "[ . 1 . 2]" 1
638 1 33 ASN H 1 34 MET HA . . 5.190 4.368 4.211 4.625 . 0 0 "[ . 1 . 2]" 1
639 1 33 ASN H 1 34 MET HB2 . . 5.300 5.444 4.987 5.733 0.433 16 0 "[ . 1 . 2]" 1
640 1 33 ASN H 1 34 MET QG . . 4.390 3.926 3.134 4.349 . 0 0 "[ . 1 . 2]" 1
641 1 33 ASN H 1 35 TYR H . . 5.500 4.596 4.319 4.899 . 0 0 "[ . 1 . 2]" 1
642 1 33 ASN HA 1 33 ASN HD22 . . 5.500 4.625 4.103 5.225 . 0 0 "[ . 1 . 2]" 1
643 1 33 ASN HA 1 35 TYR H . . 4.540 3.414 3.031 3.767 . 0 0 "[ . 1 . 2]" 1
644 1 33 ASN HA 1 35 TYR QD . . 4.290 3.133 2.663 4.151 . 0 0 "[ . 1 . 2]" 1
645 1 33 ASN HA 1 35 TYR QE . . 4.100 3.912 3.189 4.191 0.091 6 0 "[ . 1 . 2]" 1
646 1 33 ASN HA 1 36 ARG H . . 5.500 4.344 3.692 4.971 . 0 0 "[ . 1 . 2]" 1
647 1 33 ASN HB2 1 33 ASN HD22 . . 4.150 3.766 3.458 4.066 . 0 0 "[ . 1 . 2]" 1
648 1 33 ASN HB2 1 34 MET H . . 4.630 3.861 3.338 4.493 . 0 0 "[ . 1 . 2]" 1
649 1 33 ASN HB3 1 35 TYR H . . 4.740 5.030 4.438 5.647 0.907 5 8 "[ ** + *-1 * .** 2]" 1
650 1 34 MET H 1 34 MET HB2 . . 3.850 3.485 2.876 3.583 . 0 0 "[ . 1 . 2]" 1
651 1 34 MET H 1 34 MET HB3 . . 3.760 2.404 2.195 3.649 . 0 0 "[ . 1 . 2]" 1
652 1 34 MET H 1 34 MET ME . . 4.390 4.487 4.449 4.506 0.116 6 0 "[ . 1 . 2]" 1
653 1 34 MET H 1 34 MET QG . . 3.260 2.311 1.744 2.508 . 0 0 "[ . 1 . 2]" 1
654 1 34 MET H 1 35 TYR H . . 4.050 3.074 2.809 3.268 . 0 0 "[ . 1 . 2]" 1
655 1 34 MET HA 1 36 ARG H . . 5.240 3.653 3.312 4.089 . 0 0 "[ . 1 . 2]" 1
656 1 34 MET HA 1 36 ARG QG . . 4.790 4.169 3.184 4.719 . 0 0 "[ . 1 . 2]" 1
657 1 34 MET HA 1 37 TYR H . . 4.010 3.469 3.069 3.811 . 0 0 "[ . 1 . 2]" 1
658 1 34 MET HA 1 37 TYR QB . . 3.990 3.565 2.919 4.046 0.056 1 0 "[ . 1 . 2]" 1
659 1 34 MET HA 1 37 TYR QD . . 3.600 2.441 2.045 3.480 . 0 0 "[ . 1 . 2]" 1
660 1 34 MET HB2 1 34 MET ME . . 3.450 2.199 2.036 3.332 . 0 0 "[ . 1 . 2]" 1
661 1 34 MET HB2 1 35 TYR H . . 4.360 4.217 2.749 4.414 0.054 18 0 "[ . 1 . 2]" 1
662 1 34 MET HB3 1 34 MET ME . . 3.550 2.728 2.150 3.055 . 0 0 "[ . 1 . 2]" 1
663 1 34 MET HB3 1 34 MET QG . . 2.430 2.332 2.151 2.469 0.039 12 0 "[ . 1 . 2]" 1
664 1 34 MET HB3 1 35 TYR H . . 4.740 4.349 3.931 4.501 . 0 0 "[ . 1 . 2]" 1
665 1 34 MET HB3 1 37 TYR QD . . 4.020 3.627 3.055 4.061 0.041 14 0 "[ . 1 . 2]" 1
666 1 34 MET ME 1 34 MET QG . . 2.400 2.384 2.187 2.436 0.036 19 0 "[ . 1 . 2]" 1
667 1 34 MET ME 1 35 TYR H . . 5.400 5.294 5.008 5.472 0.072 17 0 "[ . 1 . 2]" 1
668 1 34 MET ME 1 37 TYR QD . . 4.170 4.201 3.870 4.287 0.117 13 0 "[ . 1 . 2]" 1
669 1 34 MET QG 1 35 TYR H . . 4.390 2.953 2.581 3.810 . 0 0 "[ . 1 . 2]" 1
670 1 34 MET QG 1 35 TYR QE . . 4.070 3.324 2.634 3.913 . 0 0 "[ . 1 . 2]" 1
671 1 35 TYR H 1 35 TYR HB2 . . 3.390 2.563 2.270 2.830 . 0 0 "[ . 1 . 2]" 1
672 1 35 TYR H 1 35 TYR HB3 . . 3.420 3.489 3.465 3.507 0.087 16 0 "[ . 1 . 2]" 1
673 1 35 TYR H 1 35 TYR QD . . 2.960 2.614 1.945 3.023 0.063 16 0 "[ . 1 . 2]" 1
674 1 35 TYR H 1 35 TYR QE . . 4.740 3.976 3.616 4.277 . 0 0 "[ . 1 . 2]" 1
675 1 35 TYR H 1 36 ARG H . . 2.670 2.527 2.268 2.723 0.053 13 0 "[ . 1 . 2]" 1
676 1 35 TYR H 1 36 ARG QD . . 5.310 5.105 4.999 5.147 . 0 0 "[ . 1 . 2]" 1
677 1 35 TYR H 1 36 ARG QG . . 5.500 3.561 3.290 4.122 . 0 0 "[ . 1 . 2]" 1
678 1 35 TYR H 1 37 TYR H . . 4.780 4.166 3.945 4.368 . 0 0 "[ . 1 . 2]" 1
679 1 35 TYR HA 1 35 TYR QD . . 3.770 2.598 2.170 3.109 . 0 0 "[ . 1 . 2]" 1
680 1 35 TYR HA 1 37 TYR H . . 4.540 4.017 3.716 4.408 . 0 0 "[ . 1 . 2]" 1
681 1 35 TYR HB2 1 36 ARG H . . 5.160 2.933 2.615 3.275 . 0 0 "[ . 1 . 2]" 1
682 1 35 TYR HB2 1 36 ARG HE . . 5.500 4.567 3.205 5.569 0.069 9 0 "[ . 1 . 2]" 1
683 1 35 TYR QD 1 36 ARG H . . 5.300 4.127 3.794 4.433 . 0 0 "[ . 1 . 2]" 1
684 1 36 ARG H 1 36 ARG HB2 . . 3.890 2.904 2.394 3.691 . 0 0 "[ . 1 . 2]" 1
685 1 36 ARG H 1 36 ARG HB3 . . 4.040 3.387 2.481 3.655 . 0 0 "[ . 1 . 2]" 1
686 1 36 ARG H 1 36 ARG QD . . 4.330 3.769 3.335 4.053 . 0 0 "[ . 1 . 2]" 1
687 1 36 ARG H 1 36 ARG QG . . 3.770 1.999 1.743 2.206 . 0 0 "[ . 1 . 2]" 1
688 1 36 ARG H 1 37 TYR H . . 2.970 2.536 2.152 2.849 . 0 0 "[ . 1 . 2]" 1
689 1 36 ARG H 1 37 TYR QD . . 5.500 4.607 4.327 5.046 . 0 0 "[ . 1 . 2]" 1
690 1 36 ARG HB2 1 36 ARG QG . . 2.400 2.215 2.102 2.377 . 0 0 "[ . 1 . 2]" 1
691 1 36 ARG HB2 1 78 PHE QD . . 5.040 4.558 3.544 5.112 0.072 6 0 "[ . 1 . 2]" 1
692 1 36 ARG HB3 1 36 ARG QD . . 3.840 2.586 2.268 2.922 . 0 0 "[ . 1 . 2]" 1
693 1 36 ARG HB3 1 78 PHE QD . . 4.730 4.595 3.592 5.106 0.376 1 0 "[ . 1 . 2]" 1
694 1 36 ARG HB3 1 78 PHE QE . . 3.720 2.683 2.110 3.796 0.076 17 0 "[ . 1 . 2]" 1
695 1 36 ARG QD 1 36 ARG HH21 . . 4.190 3.955 3.780 4.056 . 0 0 "[ . 1 . 2]" 1
696 1 36 ARG QD 1 78 PHE QE . . 3.980 3.199 2.200 3.965 . 0 0 "[ . 1 . 2]" 1
697 1 36 ARG QG 1 37 TYR H . . 4.500 3.518 2.357 3.930 . 0 0 "[ . 1 . 2]" 1
698 1 37 TYR H 1 37 TYR QB . . 3.060 2.465 2.336 2.595 . 0 0 "[ . 1 . 2]" 1
699 1 37 TYR H 1 37 TYR QD . . 3.420 3.207 2.735 3.513 0.093 13 0 "[ . 1 . 2]" 1
700 1 37 TYR H 1 37 TYR QE . . 5.500 4.483 3.958 5.020 . 0 0 "[ . 1 . 2]" 1
701 1 37 TYR HA 1 37 TYR QD . . 3.000 2.258 2.048 2.580 . 0 0 "[ . 1 . 2]" 1
702 1 37 TYR HA 1 38 PRO HD2 . . 3.220 2.675 2.457 3.111 . 0 0 "[ . 1 . 2]" 1
703 1 37 TYR HA 1 38 PRO HD3 . . 3.420 2.437 2.176 2.564 . 0 0 "[ . 1 . 2]" 1
704 1 37 TYR HA 1 86 MET ME . . 4.380 4.088 3.447 4.459 0.079 15 0 "[ . 1 . 2]" 1
705 1 37 TYR QB 1 38 PRO HD2 . . 3.780 2.065 1.938 2.167 . 0 0 "[ . 1 . 2]" 1
706 1 37 TYR QB 1 38 PRO HD3 . . 4.150 3.301 2.884 3.485 . 0 0 "[ . 1 . 2]" 1
707 1 37 TYR QB 1 89 VAL QG . . 3.980 3.074 2.647 3.776 . 0 0 "[ . 1 . 2]" 1
708 1 37 TYR QD 1 38 PRO HD2 . . 3.850 3.752 3.228 3.943 0.093 10 0 "[ . 1 . 2]" 1
709 1 37 TYR QD 1 78 PHE QD . . 5.500 4.689 3.140 5.471 . 0 0 "[ . 1 . 2]" 1
710 1 37 TYR QD 1 78 PHE QE . . 4.630 3.603 2.655 4.734 0.104 15 0 "[ . 1 . 2]" 1
711 1 37 TYR QD 1 86 MET QG . . 3.630 2.845 2.070 3.630 . 0 0 "[ . 1 . 2]" 1
712 1 37 TYR QD 1 89 VAL QG . . 3.570 3.364 2.832 3.626 0.056 13 0 "[ . 1 . 2]" 1
713 1 37 TYR QE 1 78 PHE QD . . 4.520 3.535 2.509 4.429 . 0 0 "[ . 1 . 2]" 1
714 1 37 TYR QE 1 78 PHE QE . . 4.020 3.439 2.232 4.137 0.117 7 0 "[ . 1 . 2]" 1
715 1 38 PRO HA 1 39 ASN H . . 2.610 2.314 2.176 2.393 . 0 0 "[ . 1 . 2]" 1
716 1 38 PRO HA 1 39 ASN HA . . 4.950 4.502 4.429 4.575 . 0 0 "[ . 1 . 2]" 1
717 1 38 PRO HA 1 40 GLN H . . 3.790 3.754 3.439 3.874 0.084 20 0 "[ . 1 . 2]" 1
718 1 38 PRO HB2 1 39 ASN H . . 3.410 3.039 2.668 3.474 0.064 5 0 "[ . 1 . 2]" 1
719 1 38 PRO HB2 1 40 GLN H . . 3.430 2.459 2.212 2.783 . 0 0 "[ . 1 . 2]" 1
720 1 38 PRO HB2 1 40 GLN HA . . 5.500 4.938 4.718 5.146 . 0 0 "[ . 1 . 2]" 1
721 1 38 PRO HB2 1 41 VAL QG . . 4.290 4.229 4.005 4.305 0.015 6 0 "[ . 1 . 2]" 1
722 1 38 PRO HB2 1 63 THR MG . . 5.500 3.097 2.891 3.371 . 0 0 "[ . 1 . 2]" 1
723 1 38 PRO HB2 1 93 MET ME . . 3.730 3.324 2.968 3.783 0.053 12 0 "[ . 1 . 2]" 1
724 1 38 PRO HB3 1 39 ASN H . . 4.120 3.620 3.210 4.042 . 0 0 "[ . 1 . 2]" 1
725 1 38 PRO HB3 1 40 GLN H . . 4.030 3.742 2.922 4.074 0.044 15 0 "[ . 1 . 2]" 1
726 1 38 PRO HB3 1 63 THR MG . . 3.180 3.224 3.017 3.282 0.102 10 0 "[ . 1 . 2]" 1
727 1 38 PRO HB3 1 90 VAL QG . . 4.810 4.608 4.489 4.692 . 0 0 "[ . 1 . 2]" 1
728 1 38 PRO HD2 1 63 THR MG . . 5.500 4.031 3.745 4.366 . 0 0 "[ . 1 . 2]" 1
729 1 38 PRO HD2 1 86 MET QG . . 3.820 2.562 2.224 2.904 . 0 0 "[ . 1 . 2]" 1
730 1 38 PRO HD2 1 89 VAL QG . . 4.040 3.889 3.626 4.095 0.055 5 0 "[ . 1 . 2]" 1
731 1 38 PRO HD2 1 90 VAL QG . . 4.240 3.054 2.696 3.278 . 0 0 "[ . 1 . 2]" 1
732 1 38 PRO HD3 1 86 MET ME . . 4.730 3.997 3.484 4.376 . 0 0 "[ . 1 . 2]" 1
733 1 38 PRO HD3 1 86 MET QG . . 4.760 3.514 3.044 3.962 . 0 0 "[ . 1 . 2]" 1
734 1 38 PRO HD3 1 93 MET ME . . 5.500 5.265 4.801 5.609 0.109 17 0 "[ . 1 . 2]" 1
735 1 38 PRO HG2 1 41 VAL QG . . 5.500 4.063 3.732 4.345 . 0 0 "[ . 1 . 2]" 1
736 1 38 PRO HG2 1 86 MET QG . . 5.500 3.893 3.262 4.457 . 0 0 "[ . 1 . 2]" 1
737 1 38 PRO HG2 1 90 VAL QG . . 3.840 2.521 2.404 2.829 . 0 0 "[ . 1 . 2]" 1
738 1 38 PRO HG3 1 39 ASN H . . 5.500 5.334 5.085 5.651 0.151 5 0 "[ . 1 . 2]" 1
739 1 38 PRO HG3 1 40 GLN HE21 . . 5.500 5.491 5.068 5.799 0.299 10 0 "[ . 1 . 2]" 1
740 1 38 PRO HG3 1 63 THR MG . . 4.120 2.121 1.968 2.534 . 0 0 "[ . 1 . 2]" 1
741 1 38 PRO HG3 1 90 VAL QG . . 3.270 3.115 2.653 3.742 0.472 1 0 "[ . 1 . 2]" 1
742 1 39 ASN H 1 39 ASN QB . . 3.410 2.578 2.142 3.018 . 0 0 "[ . 1 . 2]" 1
743 1 39 ASN H 1 40 GLN H . . 2.830 2.204 1.938 2.454 . 0 0 "[ . 1 . 2]" 1
744 1 39 ASN H 1 40 GLN HB3 . . 5.500 5.616 5.457 5.876 0.376 3 0 "[ . 1 . 2]" 1
745 1 39 ASN H 1 40 GLN HG2 . . 5.320 5.223 5.062 5.379 0.059 16 0 "[ . 1 . 2]" 1
746 1 39 ASN H 1 93 MET ME . . 5.400 4.216 3.658 4.753 . 0 0 "[ . 1 . 2]" 1
747 1 39 ASN HA 1 93 MET ME . . 3.410 2.951 2.245 3.478 0.068 8 0 "[ . 1 . 2]" 1
748 1 39 ASN QB 1 39 ASN HD22 . . 3.660 3.290 3.119 3.399 . 0 0 "[ . 1 . 2]" 1
749 1 39 ASN QB 1 93 MET ME . . 5.380 4.354 3.637 4.818 . 0 0 "[ . 1 . 2]" 1
750 1 40 GLN H 1 40 GLN HB3 . . 4.030 3.774 3.691 3.827 . 0 0 "[ . 1 . 2]" 1
751 1 40 GLN H 1 40 GLN HG2 . . 4.080 4.114 3.957 4.170 0.090 10 0 "[ . 1 . 2]" 1
752 1 40 GLN H 1 40 GLN HG3 . . 3.870 2.915 2.697 3.207 . 0 0 "[ . 1 . 2]" 1
753 1 40 GLN H 1 41 VAL H . . 4.950 4.286 4.190 4.401 . 0 0 "[ . 1 . 2]" 1
754 1 40 GLN H 1 41 VAL QG . . 4.700 4.383 4.234 4.640 . 0 0 "[ . 1 . 2]" 1
755 1 40 GLN H 1 93 MET ME . . 4.150 3.379 3.082 4.060 . 0 0 "[ . 1 . 2]" 1
756 1 40 GLN HA 1 40 GLN HE21 . . 4.230 4.174 3.600 4.314 0.084 10 0 "[ . 1 . 2]" 1
757 1 40 GLN HA 1 40 GLN HG3 . . 3.520 3.051 2.861 3.407 . 0 0 "[ . 1 . 2]" 1
758 1 40 GLN HA 1 41 VAL H . . 3.120 2.833 2.731 2.932 . 0 0 "[ . 1 . 2]" 1
759 1 40 GLN HA 1 41 VAL QG . . 5.500 3.437 3.138 4.240 . 0 0 "[ . 1 . 2]" 1
760 1 40 GLN HA 1 93 MET ME . . 5.170 3.486 2.885 4.345 . 0 0 "[ . 1 . 2]" 1
761 1 40 GLN HB2 1 40 GLN HE21 . . 4.440 2.088 1.898 2.427 . 0 0 "[ . 1 . 2]" 1
762 1 40 GLN HB2 1 40 GLN HE22 . . 4.640 3.387 3.191 3.581 . 0 0 "[ . 1 . 2]" 1
763 1 40 GLN HB2 1 41 VAL H . . 4.380 2.407 2.035 2.722 . 0 0 "[ . 1 . 2]" 1
764 1 40 GLN HB3 1 40 GLN HE21 . . 4.810 3.591 3.366 3.831 . 0 0 "[ . 1 . 2]" 1
765 1 40 GLN HB3 1 40 GLN HE22 . . 4.870 4.755 4.536 4.893 0.023 2 0 "[ . 1 . 2]" 1
766 1 40 GLN HB3 1 41 VAL H . . 4.180 2.423 2.194 2.906 . 0 0 "[ . 1 . 2]" 1
767 1 40 GLN HG2 1 41 VAL H . . 4.410 4.465 4.260 4.495 0.085 14 0 "[ . 1 . 2]" 1
768 1 40 GLN HG3 1 41 VAL H . . 4.980 4.748 4.500 4.822 . 0 0 "[ . 1 . 2]" 1
769 1 41 VAL H 1 41 VAL QG . . 3.450 2.466 2.292 3.132 . 0 0 "[ . 1 . 2]" 1
770 1 41 VAL H 1 63 THR MG . . 5.500 4.572 4.324 4.726 . 0 0 "[ . 1 . 2]" 1
771 1 41 VAL HA 1 42 TYR H . . 3.090 2.360 2.237 2.524 . 0 0 "[ . 1 . 2]" 1
772 1 41 VAL HA 1 63 THR MG . . 2.980 2.202 2.023 2.312 . 0 0 "[ . 1 . 2]" 1
773 1 41 VAL HB 1 42 TYR H . . 5.500 2.970 2.393 4.373 . 0 0 "[ . 1 . 2]" 1
774 1 41 VAL HB 1 63 THR HG1 . . 4.420 3.514 2.986 4.506 0.086 13 0 "[ . 1 . 2]" 1
775 1 41 VAL HB 1 63 THR MG . . 4.030 3.604 3.307 4.110 0.080 13 0 "[ . 1 . 2]" 1
776 1 41 VAL HB 1 93 MET ME . . 5.500 4.770 3.519 5.492 . 0 0 "[ . 1 . 2]" 1
777 1 41 VAL QG 1 42 TYR H . . 4.220 3.304 2.565 3.546 . 0 0 "[ . 1 . 2]" 1
778 1 41 VAL QG 1 43 TYR H . . 5.500 4.485 3.898 5.011 . 0 0 "[ . 1 . 2]" 1
779 1 41 VAL QG 1 43 TYR QD . . 3.820 2.790 2.303 3.766 . 0 0 "[ . 1 . 2]" 1
780 1 41 VAL QG 1 63 THR HB . . 5.500 3.723 3.116 4.031 . 0 0 "[ . 1 . 2]" 1
781 1 41 VAL QG 1 63 THR MG . . 3.180 2.286 2.045 2.604 . 0 0 "[ . 1 . 2]" 1
782 1 41 VAL QG 1 90 VAL HA . . 3.180 3.155 2.996 3.255 0.075 10 0 "[ . 1 . 2]" 1
783 1 41 VAL QG 1 90 VAL QG . . 4.140 2.184 2.031 2.423 . 0 0 "[ . 1 . 2]" 1
784 1 41 VAL QG 1 93 MET H . . 4.540 4.175 3.943 4.330 . 0 0 "[ . 1 . 2]" 1
785 1 41 VAL QG 1 93 MET QB . . 4.050 2.111 1.991 2.245 . 0 0 "[ . 1 . 2]" 1
786 1 41 VAL QG 1 93 MET ME . . 4.080 2.267 2.000 2.737 . 0 0 "[ . 1 . 2]" 1
787 1 41 VAL QG 1 94 CYS H . . 4.330 2.725 2.520 2.832 . 0 0 "[ . 1 . 2]" 1
788 1 41 VAL QG 1 94 CYS HA . . 3.450 2.138 2.012 2.398 . 0 0 "[ . 1 . 2]" 1
789 1 41 VAL QG 1 97 GLN H . . 4.330 3.821 3.474 4.159 . 0 0 "[ . 1 . 2]" 1
790 1 41 VAL QG 1 97 GLN HB2 . . 4.500 2.574 2.182 3.283 . 0 0 "[ . 1 . 2]" 1
791 1 41 VAL QG 1 97 GLN HB3 . . 4.400 2.917 2.345 3.388 . 0 0 "[ . 1 . 2]" 1
792 1 41 VAL QG 1 97 GLN QG . . 4.120 2.408 2.012 3.192 . 0 0 "[ . 1 . 2]" 1
793 1 41 VAL QG 1 98 TYR H . . 5.500 4.323 3.986 4.834 . 0 0 "[ . 1 . 2]" 1
794 1 42 TYR H 1 42 TYR HB2 . . 3.290 2.224 1.918 2.417 . 0 0 "[ . 1 . 2]" 1
795 1 42 TYR H 1 42 TYR QD . . 3.640 3.707 3.514 3.743 0.103 9 0 "[ . 1 . 2]" 1
796 1 42 TYR H 1 62 ILE MG . . 4.880 4.414 4.177 4.739 . 0 0 "[ . 1 . 2]" 1
797 1 42 TYR H 1 63 THR H . . 4.070 4.088 3.765 4.146 0.076 3 0 "[ . 1 . 2]" 1
798 1 42 TYR H 1 63 THR HA . . 5.030 3.308 2.866 3.732 . 0 0 "[ . 1 . 2]" 1
799 1 42 TYR H 1 63 THR HB . . 5.500 3.873 3.734 3.963 . 0 0 "[ . 1 . 2]" 1
800 1 42 TYR H 1 63 THR HG1 . . 3.530 2.459 2.230 2.645 . 0 0 "[ . 1 . 2]" 1
801 1 42 TYR H 1 63 THR MG . . 3.620 2.871 2.407 3.094 . 0 0 "[ . 1 . 2]" 1
802 1 42 TYR HA 1 42 TYR QD . . 4.520 2.452 2.187 2.699 . 0 0 "[ . 1 . 2]" 1
803 1 42 TYR HA 1 43 TYR H . . 3.020 2.227 2.143 2.318 . 0 0 "[ . 1 . 2]" 1
804 1 42 TYR HB2 1 62 ILE MG . . 3.470 2.739 2.405 3.548 0.078 9 0 "[ . 1 . 2]" 1
805 1 42 TYR HB3 1 43 TYR H . . 4.100 3.564 3.251 4.166 0.066 9 0 "[ . 1 . 2]" 1
806 1 42 TYR HB3 1 62 ILE MG . . 4.330 2.314 2.110 2.542 . 0 0 "[ . 1 . 2]" 1
807 1 42 TYR QD 1 43 TYR H . . 4.780 3.256 2.891 3.696 . 0 0 "[ . 1 . 2]" 1
808 1 42 TYR QD 1 62 ILE MG . . 5.180 3.398 2.801 3.813 . 0 0 "[ . 1 . 2]" 1
809 1 42 TYR QD 1 63 THR HA . . 3.300 2.790 2.323 3.314 0.014 7 0 "[ . 1 . 2]" 1
810 1 42 TYR QD 1 63 THR MG . . 4.660 3.632 2.767 4.147 . 0 0 "[ . 1 . 2]" 1
811 1 42 TYR QE 1 66 GLN HB2 . . 4.990 3.390 2.681 4.273 . 0 0 "[ . 1 . 2]" 1
812 1 42 TYR QE 1 66 GLN HB3 . . 4.570 2.816 2.154 3.935 . 0 0 "[ . 1 . 2]" 1
813 1 43 TYR H 1 43 TYR QD . . 3.720 2.497 2.087 2.927 . 0 0 "[ . 1 . 2]" 1
814 1 43 TYR H 1 43 TYR QE . . 5.350 4.461 4.238 4.688 . 0 0 "[ . 1 . 2]" 1
815 1 43 TYR H 1 44 ARG H . . 5.500 4.470 4.391 4.582 . 0 0 "[ . 1 . 2]" 1
816 1 43 TYR H 1 62 ILE MG . . 5.500 4.927 4.257 5.325 . 0 0 "[ . 1 . 2]" 1
817 1 43 TYR HA 1 44 ARG H . . 3.250 2.613 2.386 2.926 . 0 0 "[ . 1 . 2]" 1
818 1 43 TYR HA 1 44 ARG QD . . 5.500 3.844 3.226 4.874 . 0 0 "[ . 1 . 2]" 1
819 1 43 TYR HB2 1 59 CYS HA . . 5.090 4.098 2.817 4.586 . 0 0 "[ . 1 . 2]" 1
820 1 43 TYR HB2 1 59 CYS HB3 . . 5.200 5.028 4.075 5.721 0.521 12 1 "[ . 1 + . 2]" 1
821 1 43 TYR HB3 1 44 ARG H . . 3.990 3.846 3.620 4.064 0.074 20 0 "[ . 1 . 2]" 1
822 1 43 TYR HB3 1 55 PHE QD . . 4.590 3.775 3.049 4.670 0.080 7 0 "[ . 1 . 2]" 1
823 1 43 TYR QD 1 44 ARG H . . 4.100 3.393 2.458 3.831 . 0 0 "[ . 1 . 2]" 1
824 1 43 TYR QD 1 44 ARG HE . . 5.500 5.459 4.945 5.605 0.105 7 0 "[ . 1 . 2]" 1
825 1 43 TYR QD 1 55 PHE QD . . 3.310 2.931 2.397 3.384 0.074 1 0 "[ . 1 . 2]" 1
826 1 44 ARG H 1 44 ARG HB2 . . 3.560 2.577 2.329 2.895 . 0 0 "[ . 1 . 2]" 1
827 1 44 ARG H 1 44 ARG HB3 . . 4.150 3.679 3.520 3.890 . 0 0 "[ . 1 . 2]" 1
828 1 44 ARG H 1 44 ARG QD . . 3.220 2.692 2.091 3.219 . 0 0 "[ . 1 . 2]" 1
829 1 44 ARG H 1 44 ARG HG2 . . 5.460 4.286 3.969 4.722 . 0 0 "[ . 1 . 2]" 1
830 1 44 ARG H 1 44 ARG HG3 . . 4.410 3.511 2.933 4.134 . 0 0 "[ . 1 . 2]" 1
831 1 44 ARG H 1 49 TYR QE . . 3.730 2.528 2.028 3.619 . 0 0 "[ . 1 . 2]" 1
832 1 44 ARG HA 1 44 ARG HG2 . . 3.660 3.568 3.416 3.687 0.027 6 0 "[ . 1 . 2]" 1
833 1 44 ARG HA 1 44 ARG HG3 . . 3.540 2.538 2.272 2.784 . 0 0 "[ . 1 . 2]" 1
834 1 44 ARG HA 1 45 PRO QD . . 3.050 2.268 2.146 2.461 . 0 0 "[ . 1 . 2]" 1
835 1 44 ARG HB2 1 44 ARG HE . . 5.500 2.654 2.124 3.529 . 0 0 "[ . 1 . 2]" 1
836 1 44 ARG HB2 1 45 PRO QD . . 5.170 3.451 3.163 3.681 . 0 0 "[ . 1 . 2]" 1
837 1 44 ARG HB2 1 49 TYR QE . . 5.500 2.463 2.162 3.096 . 0 0 "[ . 1 . 2]" 1
838 1 44 ARG HB3 1 44 ARG HE . . 4.810 3.980 3.658 4.285 . 0 0 "[ . 1 . 2]" 1
839 1 44 ARG HB3 1 45 PRO QD . . 3.750 2.092 1.973 2.214 . 0 0 "[ . 1 . 2]" 1
840 1 44 ARG HB3 1 49 TYR QE . . 4.180 3.863 2.893 4.251 0.071 13 0 "[ . 1 . 2]" 1
841 1 44 ARG HE 1 49 TYR QE . . 4.120 3.150 2.616 4.209 0.089 8 0 "[ . 1 . 2]" 1
842 1 45 PRO HA 1 46 VAL H . . 3.100 2.347 2.229 2.471 . 0 0 "[ . 1 . 2]" 1
843 1 45 PRO HA 1 46 VAL QG . . 3.580 3.493 3.250 3.632 0.052 11 0 "[ . 1 . 2]" 1
844 1 45 PRO HA 1 47 ASP H . . 4.110 4.099 3.902 4.191 0.081 9 0 "[ . 1 . 2]" 1
845 1 45 PRO HB2 1 46 VAL H . . 3.720 2.984 2.763 3.460 . 0 0 "[ . 1 . 2]" 1
846 1 45 PRO HB2 1 46 VAL QG . . 4.420 3.777 3.224 4.334 . 0 0 "[ . 1 . 2]" 1
847 1 45 PRO HB2 1 47 ASP H . . 5.330 2.392 2.225 2.725 . 0 0 "[ . 1 . 2]" 1
848 1 45 PRO HB2 1 47 ASP HB2 . . 5.500 3.039 2.243 3.990 . 0 0 "[ . 1 . 2]" 1
849 1 45 PRO HB2 1 48 GLN H . . 5.090 4.053 3.512 4.808 . 0 0 "[ . 1 . 2]" 1
850 1 45 PRO HB2 1 48 GLN HE21 . . 4.550 3.869 2.967 4.591 0.041 12 0 "[ . 1 . 2]" 1
851 1 45 PRO HB2 1 48 GLN HE22 . . 4.610 4.626 4.374 4.698 0.088 9 0 "[ . 1 . 2]" 1
852 1 45 PRO HB3 1 46 VAL H . . 4.380 3.252 2.715 3.577 . 0 0 "[ . 1 . 2]" 1
853 1 45 PRO HB3 1 47 ASP H . . 4.040 3.819 3.359 4.109 0.069 18 0 "[ . 1 . 2]" 1
854 1 45 PRO HB3 1 47 ASP HB2 . . 5.150 4.508 3.327 5.238 0.088 9 0 "[ . 1 . 2]" 1
855 1 45 PRO QD 1 48 GLN HE21 . . 5.190 3.145 2.331 3.932 . 0 0 "[ . 1 . 2]" 1
856 1 45 PRO QD 1 48 GLN HE22 . . 4.430 2.920 2.055 4.955 0.525 20 1 "[ . 1 . +]" 1
857 1 45 PRO QD 1 48 GLN QG . . 5.500 3.594 2.124 4.145 . 0 0 "[ . 1 . 2]" 1
858 1 45 PRO HG3 1 48 GLN HE22 . . 5.270 4.127 2.389 6.067 0.797 13 1 "[ . 1 + . 2]" 1
859 1 46 VAL H 1 46 VAL HB . . 3.600 2.901 2.286 3.647 0.047 15 0 "[ . 1 . 2]" 1
860 1 46 VAL H 1 46 VAL QG . . 3.430 1.851 1.717 2.039 . 0 0 "[ . 1 . 2]" 1
861 1 46 VAL H 1 47 ASP H . . 2.900 2.687 2.518 2.870 . 0 0 "[ . 1 . 2]" 1
862 1 46 VAL H 1 101 GLU HB2 . . 4.680 4.136 3.651 4.546 . 0 0 "[ . 1 . 2]" 1
863 1 46 VAL H 1 101 GLU HB3 . . 4.480 3.568 3.215 4.013 . 0 0 "[ . 1 . 2]" 1
864 1 46 VAL HA 1 47 ASP H . . 3.610 3.449 3.355 3.493 . 0 0 "[ . 1 . 2]" 1
865 1 46 VAL HA 1 47 ASP HA . . 5.500 4.996 4.827 5.151 . 0 0 "[ . 1 . 2]" 1
866 1 46 VAL HA 1 48 GLN H . . 4.220 3.486 3.244 3.805 . 0 0 "[ . 1 . 2]" 1
867 1 46 VAL HA 1 49 TYR H . . 5.130 3.685 3.234 4.332 . 0 0 "[ . 1 . 2]" 1
868 1 46 VAL HA 1 49 TYR QD . . 2.740 2.475 1.981 2.828 0.088 6 0 "[ . 1 . 2]" 1
869 1 46 VAL HB 1 47 ASP H . . 4.140 3.713 2.657 4.219 0.079 4 0 "[ . 1 . 2]" 1
870 1 46 VAL QG 1 47 ASP H . . 3.810 2.698 2.340 3.395 . 0 0 "[ . 1 . 2]" 1
871 1 46 VAL QG 1 47 ASP HA . . 4.090 3.534 3.228 4.048 . 0 0 "[ . 1 . 2]" 1
872 1 46 VAL QG 1 47 ASP HB2 . . 4.970 4.033 3.369 4.760 . 0 0 "[ . 1 . 2]" 1
873 1 46 VAL QG 1 48 GLN H . . 4.540 4.178 3.887 4.333 . 0 0 "[ . 1 . 2]" 1
874 1 46 VAL QG 1 49 TYR HB2 . . 5.320 3.586 2.915 4.413 . 0 0 "[ . 1 . 2]" 1
875 1 46 VAL QG 1 98 TYR HA . . 5.060 3.415 2.665 4.498 . 0 0 "[ . 1 . 2]" 1
876 1 46 VAL QG 1 98 TYR QD . . 4.250 3.026 2.391 3.792 . 0 0 "[ . 1 . 2]" 1
877 1 46 VAL QG 1 98 TYR QE . . 4.660 2.665 2.179 3.194 . 0 0 "[ . 1 . 2]" 1
878 1 46 VAL QG 1 101 GLU H . . 5.060 3.964 3.626 4.495 . 0 0 "[ . 1 . 2]" 1
879 1 46 VAL QG 1 101 GLU HA . . 4.100 3.789 3.598 4.003 . 0 0 "[ . 1 . 2]" 1
880 1 46 VAL QG 1 101 GLU HB2 . . 3.530 2.326 1.995 3.375 . 0 0 "[ . 1 . 2]" 1
881 1 46 VAL QG 1 101 GLU HB3 . . 4.230 2.109 1.914 2.402 . 0 0 "[ . 1 . 2]" 1
882 1 46 VAL QG 1 101 GLU QG . . 5.450 3.410 2.812 3.885 . 0 0 "[ . 1 . 2]" 1
883 1 46 VAL QG 1 102 SER H . . 3.940 2.961 2.534 3.452 . 0 0 "[ . 1 . 2]" 1
884 1 46 VAL QG 1 102 SER HA . . 3.840 2.397 2.068 3.164 . 0 0 "[ . 1 . 2]" 1
885 1 46 VAL QG 1 102 SER HB2 . . 5.500 3.089 2.478 3.720 . 0 0 "[ . 1 . 2]" 1
886 1 46 VAL QG 1 102 SER HB3 . . 5.030 4.197 3.787 4.830 . 0 0 "[ . 1 . 2]" 1
887 1 46 VAL QG 1 103 GLU H . . 5.500 4.686 4.396 4.934 . 0 0 "[ . 1 . 2]" 1
888 1 46 VAL QG 1 105 TYR H . . 4.830 4.006 3.476 4.465 . 0 0 "[ . 1 . 2]" 1
889 1 46 VAL QG 1 105 TYR HB2 . . 3.680 2.899 2.231 3.604 . 0 0 "[ . 1 . 2]" 1
890 1 46 VAL QG 1 105 TYR HB3 . . 4.460 3.042 2.609 3.424 . 0 0 "[ . 1 . 2]" 1
891 1 46 VAL QG 1 105 TYR QD . . 3.990 3.488 2.784 3.991 0.001 18 0 "[ . 1 . 2]" 1
892 1 46 VAL QG 1 105 TYR QE . . 5.500 4.466 3.676 5.053 . 0 0 "[ . 1 . 2]" 1
893 1 47 ASP H 1 47 ASP HB2 . . 3.750 2.347 2.054 2.636 . 0 0 "[ . 1 . 2]" 1
894 1 47 ASP H 1 47 ASP HB3 . . 3.670 2.679 2.257 3.606 . 0 0 "[ . 1 . 2]" 1
895 1 47 ASP H 1 49 TYR QD . . 5.500 4.864 4.306 5.243 . 0 0 "[ . 1 . 2]" 1
896 1 47 ASP HA 1 49 TYR H . . 4.830 4.101 3.604 4.586 . 0 0 "[ . 1 . 2]" 1
897 1 47 ASP HB2 1 48 GLN H . . 5.410 4.068 2.531 4.459 . 0 0 "[ . 1 . 2]" 1
898 1 47 ASP HB2 1 48 GLN HE21 . . 5.500 4.109 2.120 5.411 . 0 0 "[ . 1 . 2]" 1
899 1 47 ASP HB3 1 48 GLN H . . 4.570 3.427 2.989 4.078 . 0 0 "[ . 1 . 2]" 1
900 1 47 ASP HB3 1 48 GLN QG . . 4.350 3.560 2.430 4.428 0.078 16 0 "[ . 1 . 2]" 1
901 1 48 GLN H 1 48 GLN HB2 . . 3.110 2.852 2.331 3.934 0.824 2 5 "[ + . * ** .- 2]" 1
902 1 48 GLN H 1 48 GLN QG . . 3.140 2.785 2.176 3.222 0.082 18 0 "[ . 1 . 2]" 1
903 1 48 GLN H 1 49 TYR H . . 2.870 2.426 1.923 2.927 0.057 12 0 "[ . 1 . 2]" 1
904 1 48 GLN H 1 49 TYR HB2 . . 4.130 4.010 3.588 4.199 0.069 8 0 "[ . 1 . 2]" 1
905 1 48 GLN H 1 49 TYR QD . . 3.890 3.286 2.803 3.550 . 0 0 "[ . 1 . 2]" 1
906 1 48 GLN H 1 49 TYR QE . . 4.830 4.813 4.062 4.930 0.100 17 0 "[ . 1 . 2]" 1
907 1 48 GLN HA 1 48 GLN HE21 . . 5.500 4.545 3.750 4.963 . 0 0 "[ . 1 . 2]" 1
908 1 48 GLN HA 1 48 GLN QG . . 3.460 2.787 2.196 3.449 . 0 0 "[ . 1 . 2]" 1
909 1 48 GLN HB2 1 49 TYR H . . 5.010 4.141 3.622 4.611 . 0 0 "[ . 1 . 2]" 1
910 1 48 GLN HB2 1 49 TYR QD . . 5.420 4.170 2.943 5.554 0.134 2 0 "[ . 1 . 2]" 1
911 1 49 TYR H 1 49 TYR HB2 . . 3.500 2.598 2.357 2.761 . 0 0 "[ . 1 . 2]" 1
912 1 49 TYR H 1 49 TYR HB3 . . 3.750 3.739 3.575 3.825 0.075 17 0 "[ . 1 . 2]" 1
913 1 49 TYR HA 1 54 THR MG . . 4.570 3.784 3.138 4.636 0.066 6 0 "[ . 1 . 2]" 1
914 1 49 TYR HB3 1 50 ASN HA . . 5.500 4.451 4.101 4.916 . 0 0 "[ . 1 . 2]" 1
915 1 49 TYR HB3 1 51 ASN H . . 4.270 3.204 2.492 3.780 . 0 0 "[ . 1 . 2]" 1
916 1 49 TYR QD 1 54 THR H . . 5.500 5.229 4.639 5.558 0.058 2 0 "[ . 1 . 2]" 1
917 1 49 TYR QD 1 54 THR MG . . 3.650 2.306 2.010 2.748 . 0 0 "[ . 1 . 2]" 1
918 1 49 TYR QE 1 54 THR MG . . 3.820 3.191 2.261 3.933 0.113 4 0 "[ . 1 . 2]" 1
919 1 50 ASN H 1 51 ASN H . . 3.540 2.151 1.832 2.658 . 0 0 "[ . 1 . 2]" 1
920 1 50 ASN HB2 1 50 ASN QD . . 3.380 2.474 2.141 3.361 . 0 0 "[ . 1 . 2]" 1
921 1 50 ASN QD 1 51 ASN HD22 . . 3.400 2.888 2.136 3.418 0.018 10 0 "[ . 1 . 2]" 1
922 1 50 ASN QD 1 54 THR MG . . 4.550 3.397 2.135 4.193 . 0 0 "[ . 1 . 2]" 1
923 1 51 ASN H 1 51 ASN HB2 . . 3.480 3.047 2.684 3.569 0.089 2 0 "[ . 1 . 2]" 1
924 1 51 ASN H 1 52 GLN HA . . 4.840 4.805 4.488 4.916 0.076 8 0 "[ . 1 . 2]" 1
925 1 51 ASN H 1 54 THR H . . 5.040 4.121 3.635 4.786 . 0 0 "[ . 1 . 2]" 1
926 1 51 ASN H 1 54 THR HB . . 4.200 4.185 3.299 4.291 0.091 12 0 "[ . 1 . 2]" 1
927 1 51 ASN H 1 54 THR MG . . 4.570 2.640 1.861 3.776 . 0 0 "[ . 1 . 2]" 1
928 1 51 ASN HA 1 52 GLN H . . 3.210 2.314 2.058 2.436 . 0 0 "[ . 1 . 2]" 1
929 1 51 ASN HA 1 53 ASN H . . 5.500 3.935 3.631 4.170 . 0 0 "[ . 1 . 2]" 1
930 1 51 ASN HB2 1 51 ASN HD21 . . 3.530 2.282 2.115 2.743 . 0 0 "[ . 1 . 2]" 1
931 1 51 ASN HB2 1 53 ASN H . . 3.580 2.680 2.246 3.621 0.041 11 0 "[ . 1 . 2]" 1
932 1 51 ASN HB2 1 53 ASN HA . . 5.460 4.918 4.607 5.366 . 0 0 "[ . 1 . 2]" 1
933 1 51 ASN HB2 1 53 ASN HB2 . . 4.520 3.225 2.872 4.246 . 0 0 "[ . 1 . 2]" 1
934 1 51 ASN HB2 1 53 ASN HB3 . . 4.090 4.001 3.531 4.171 0.081 2 0 "[ . 1 . 2]" 1
935 1 51 ASN HB2 1 54 THR H . . 5.500 2.709 2.219 3.652 . 0 0 "[ . 1 . 2]" 1
936 1 51 ASN HB2 1 54 THR HB . . 5.500 3.353 2.092 4.952 . 0 0 "[ . 1 . 2]" 1
937 1 51 ASN HB3 1 51 ASN HD21 . . 3.530 3.216 2.663 3.594 0.064 18 0 "[ . 1 . 2]" 1
938 1 51 ASN HB3 1 51 ASN HD22 . . 4.050 3.940 3.707 4.114 0.064 18 0 "[ . 1 . 2]" 1
939 1 51 ASN HB3 1 52 GLN H . . 4.460 3.120 2.598 3.967 . 0 0 "[ . 1 . 2]" 1
940 1 51 ASN HB3 1 53 ASN H . . 3.900 2.870 2.173 3.989 0.089 7 0 "[ . 1 . 2]" 1
941 1 51 ASN HB3 1 54 THR H . . 5.500 4.008 2.805 5.061 . 0 0 "[ . 1 . 2]" 1
942 1 51 ASN HB3 1 54 THR MG . . 5.500 4.631 3.729 5.586 0.086 19 0 "[ . 1 . 2]" 1
943 1 51 ASN HD21 1 53 ASN HB3 . . 5.500 4.318 2.685 5.037 . 0 0 "[ . 1 . 2]" 1
944 1 51 ASN HD21 1 54 THR H . . 3.850 3.823 2.480 3.936 0.086 9 0 "[ . 1 . 2]" 1
945 1 51 ASN HD21 1 54 THR MG . . 5.500 3.390 2.288 4.518 . 0 0 "[ . 1 . 2]" 1
946 1 51 ASN HD22 1 53 ASN HB2 . . 5.500 5.425 3.604 5.582 0.082 3 0 "[ . 1 . 2]" 1
947 1 51 ASN HD22 1 54 THR MG . . 4.850 4.083 2.571 4.948 0.098 6 0 "[ . 1 . 2]" 1
948 1 52 GLN H 1 52 GLN QB . . 3.310 2.440 2.213 2.655 . 0 0 "[ . 1 . 2]" 1
949 1 52 GLN H 1 52 GLN QG . . 4.520 2.719 2.332 3.941 . 0 0 "[ . 1 . 2]" 1
950 1 52 GLN H 1 53 ASN H . . 3.440 2.795 2.514 2.940 . 0 0 "[ . 1 . 2]" 1
951 1 52 GLN H 1 54 THR H . . 4.750 4.433 4.144 4.663 . 0 0 "[ . 1 . 2]" 1
952 1 52 GLN H 1 98 TYR QE . . 5.500 4.109 3.094 5.588 0.088 15 0 "[ . 1 . 2]" 1
953 1 52 GLN HA 1 53 ASN H . . 3.610 3.591 3.515 3.660 0.050 15 0 "[ . 1 . 2]" 1
954 1 52 GLN HA 1 54 THR H . . 5.500 3.909 3.708 4.154 . 0 0 "[ . 1 . 2]" 1
955 1 52 GLN HA 1 55 PHE HB3 . . 4.500 2.120 2.010 2.451 . 0 0 "[ . 1 . 2]" 1
956 1 52 GLN HA 1 56 VAL H . . 5.500 3.511 3.195 3.753 . 0 0 "[ . 1 . 2]" 1
957 1 52 GLN HA 1 56 VAL MG2 . . 5.500 3.349 2.943 3.810 . 0 0 "[ . 1 . 2]" 1
958 1 52 GLN HA 1 98 TYR QD . . 5.070 4.325 3.879 4.971 . 0 0 "[ . 1 . 2]" 1
959 1 52 GLN HA 1 98 TYR QE . . 4.740 3.759 3.287 4.567 . 0 0 "[ . 1 . 2]" 1
960 1 52 GLN QB 1 52 GLN HE22 . . 4.090 3.645 3.322 3.988 . 0 0 "[ . 1 . 2]" 1
961 1 52 GLN QB 1 53 ASN H . . 4.690 3.593 2.574 3.775 . 0 0 "[ . 1 . 2]" 1
962 1 52 GLN QB 1 98 TYR QE . . 4.900 3.100 2.213 4.521 . 0 0 "[ . 1 . 2]" 1
963 1 52 GLN HE21 1 53 ASN H . . 5.500 3.844 3.030 4.482 . 0 0 "[ . 1 . 2]" 1
964 1 52 GLN HE21 1 53 ASN HA . . 5.500 2.666 1.899 3.407 . 0 0 "[ . 1 . 2]" 1
965 1 52 GLN HE21 1 53 ASN HD21 . . 5.500 4.147 2.649 5.562 0.062 4 0 "[ . 1 . 2]" 1
966 1 52 GLN HE21 1 55 PHE HB3 . . 5.500 5.313 4.552 5.576 0.076 15 0 "[ . 1 . 2]" 1
967 1 52 GLN HE21 1 56 VAL H . . 4.060 3.891 3.169 4.141 0.081 15 0 "[ . 1 . 2]" 1
968 1 52 GLN HE21 1 56 VAL HB . . 4.740 2.929 2.513 3.396 . 0 0 "[ . 1 . 2]" 1
969 1 52 GLN HE21 1 56 VAL MG2 . . 4.490 2.325 1.843 2.938 . 0 0 "[ . 1 . 2]" 1
970 1 52 GLN HE21 1 95 ILE HG12 . . 4.790 3.626 3.119 4.405 . 0 0 "[ . 1 . 2]" 1
971 1 52 GLN HE22 1 56 VAL MG2 . . 4.950 2.520 2.094 3.266 . 0 0 "[ . 1 . 2]" 1
972 1 52 GLN HE22 1 95 ILE MD . . 3.770 2.726 2.191 3.385 . 0 0 "[ . 1 . 2]" 1
973 1 52 GLN HE22 1 95 ILE HG12 . . 5.100 2.714 2.308 3.206 . 0 0 "[ . 1 . 2]" 1
974 1 52 GLN HE22 1 95 ILE MG . . 3.950 3.976 3.449 4.052 0.102 20 0 "[ . 1 . 2]" 1
975 1 52 GLN QG 1 53 ASN H . . 4.110 2.345 1.894 3.835 . 0 0 "[ . 1 . 2]" 1
976 1 52 GLN QG 1 53 ASN HA . . 5.500 3.264 2.730 3.628 . 0 0 "[ . 1 . 2]" 1
977 1 52 GLN QG 1 54 THR H . . 4.390 4.362 4.324 4.385 . 0 0 "[ . 1 . 2]" 1
978 1 52 GLN QG 1 56 VAL MG2 . . 4.010 3.471 1.976 3.772 . 0 0 "[ . 1 . 2]" 1
979 1 53 ASN H 1 53 ASN HB2 . . 2.870 2.082 1.992 2.152 . 0 0 "[ . 1 . 2]" 1
980 1 53 ASN H 1 53 ASN HB3 . . 3.300 3.298 3.163 3.382 0.082 3 0 "[ . 1 . 2]" 1
981 1 53 ASN H 1 53 ASN HD21 . . 4.450 3.343 2.576 4.500 0.050 14 0 "[ . 1 . 2]" 1
982 1 53 ASN H 1 53 ASN HD22 . . 4.730 4.678 4.070 4.819 0.089 14 0 "[ . 1 . 2]" 1
983 1 53 ASN H 1 54 THR H . . 3.110 2.624 2.506 2.792 . 0 0 "[ . 1 . 2]" 1
984 1 53 ASN H 1 54 THR HB . . 4.880 4.736 4.337 4.962 0.082 14 0 "[ . 1 . 2]" 1
985 1 53 ASN H 1 55 PHE H . . 5.240 4.179 3.997 4.594 . 0 0 "[ . 1 . 2]" 1
986 1 53 ASN H 1 56 VAL MG2 . . 5.380 4.742 4.379 5.129 . 0 0 "[ . 1 . 2]" 1
987 1 53 ASN HA 1 53 ASN HD22 . . 5.500 3.707 3.216 4.107 . 0 0 "[ . 1 . 2]" 1
988 1 53 ASN HA 1 56 VAL H . . 4.080 3.820 3.622 4.053 . 0 0 "[ . 1 . 2]" 1
989 1 53 ASN HA 1 56 VAL HB . . 4.720 3.312 3.025 3.510 . 0 0 "[ . 1 . 2]" 1
990 1 53 ASN HA 1 56 VAL MG1 . . 4.660 4.625 4.354 4.738 0.078 20 0 "[ . 1 . 2]" 1
991 1 53 ASN HA 1 56 VAL MG2 . . 4.380 3.853 3.431 4.194 . 0 0 "[ . 1 . 2]" 1
992 1 53 ASN HA 1 57 HIS H . . 3.940 3.940 3.542 4.025 0.085 20 0 "[ . 1 . 2]" 1
993 1 53 ASN HB2 1 53 ASN HD21 . . 3.470 2.441 2.181 3.553 0.083 14 0 "[ . 1 . 2]" 1
994 1 53 ASN HB2 1 54 THR H . . 3.460 3.408 2.688 3.551 0.091 7 0 "[ . 1 . 2]" 1
995 1 53 ASN HB3 1 54 THR H . . 3.700 3.357 2.901 3.776 0.076 14 0 "[ . 1 . 2]" 1
996 1 54 THR H 1 54 THR HB . . 3.480 2.567 2.105 2.926 . 0 0 "[ . 1 . 2]" 1
997 1 54 THR H 1 54 THR MG . . 3.460 2.741 2.209 3.568 0.108 6 0 "[ . 1 . 2]" 1
998 1 54 THR H 1 55 PHE H . . 3.600 2.225 2.039 2.467 . 0 0 "[ . 1 . 2]" 1
999 1 54 THR H 1 55 PHE HB3 . . 4.630 3.794 3.564 4.142 . 0 0 "[ . 1 . 2]" 1
1000 1 54 THR H 1 56 VAL H . . 4.160 3.945 3.622 4.129 . 0 0 "[ . 1 . 2]" 1
1001 1 54 THR H 1 57 HIS QB . . 5.330 5.079 4.854 5.381 0.051 8 0 "[ . 1 . 2]" 1
1002 1 54 THR HA 1 54 THR MG . . 3.220 3.184 2.800 3.291 0.071 12 0 "[ . 1 . 2]" 1
1003 1 54 THR HA 1 56 VAL H . . 5.500 4.802 4.619 5.220 . 0 0 "[ . 1 . 2]" 1
1004 1 54 THR HA 1 57 HIS H . . 4.640 3.986 3.599 4.446 . 0 0 "[ . 1 . 2]" 1
1005 1 54 THR HA 1 57 HIS QB . . 4.180 3.052 2.705 3.632 . 0 0 "[ . 1 . 2]" 1
1006 1 54 THR HA 1 58 ASP H . . 5.500 4.601 4.230 4.965 . 0 0 "[ . 1 . 2]" 1
1007 1 54 THR HB 1 55 PHE H . . 4.660 3.666 2.771 4.183 . 0 0 "[ . 1 . 2]" 1
1008 1 54 THR HB 1 57 HIS QB . . 5.350 5.439 5.426 5.467 0.117 4 0 "[ . 1 . 2]" 1
1009 1 55 PHE H 1 55 PHE HB2 . . 4.100 2.868 2.655 3.237 . 0 0 "[ . 1 . 2]" 1
1010 1 55 PHE H 1 55 PHE HB3 . . 3.750 2.059 1.991 2.174 . 0 0 "[ . 1 . 2]" 1
1011 1 55 PHE H 1 56 VAL H . . 4.530 2.878 2.309 3.182 . 0 0 "[ . 1 . 2]" 1
1012 1 55 PHE HB2 1 56 VAL H . . 4.030 3.971 3.846 4.072 0.042 6 0 "[ . 1 . 2]" 1
1013 1 55 PHE HB3 1 56 VAL H . . 3.570 2.604 2.409 2.727 . 0 0 "[ . 1 . 2]" 1
1014 1 55 PHE HB3 1 58 ASP H . . 5.500 5.582 5.570 5.589 0.089 2 0 "[ . 1 . 2]" 1
1015 1 55 PHE QD 1 98 TYR H . . 5.500 5.475 5.295 5.593 0.093 1 0 "[ . 1 . 2]" 1
1016 1 55 PHE QE 1 98 TYR H . . 4.080 3.615 3.441 3.803 . 0 0 "[ . 1 . 2]" 1
1017 1 55 PHE HZ 1 56 VAL HA . . 4.350 4.248 3.909 4.399 0.049 2 0 "[ . 1 . 2]" 1
1018 1 55 PHE HZ 1 56 VAL MG2 . . 4.080 3.791 3.543 4.057 . 0 0 "[ . 1 . 2]" 1
1019 1 56 VAL H 1 56 VAL HB . . 3.110 2.454 2.383 2.508 . 0 0 "[ . 1 . 2]" 1
1020 1 56 VAL H 1 56 VAL MG1 . . 4.200 3.762 3.717 3.819 . 0 0 "[ . 1 . 2]" 1
1021 1 56 VAL H 1 56 VAL MG2 . . 3.260 2.187 2.083 2.292 . 0 0 "[ . 1 . 2]" 1
1022 1 56 VAL H 1 57 HIS H . . 3.610 2.884 2.758 3.117 . 0 0 "[ . 1 . 2]" 1
1023 1 56 VAL H 1 59 CYS HB3 . . 5.500 4.628 4.445 4.775 . 0 0 "[ . 1 . 2]" 1
1024 1 56 VAL HA 1 56 VAL MG1 . . 3.660 2.521 2.423 2.604 . 0 0 "[ . 1 . 2]" 1
1025 1 56 VAL HA 1 56 VAL MG2 . . 3.030 2.413 2.352 2.503 . 0 0 "[ . 1 . 2]" 1
1026 1 56 VAL HA 1 57 HIS H . . 3.590 3.611 3.559 3.647 0.057 1 0 "[ . 1 . 2]" 1
1027 1 56 VAL HA 1 58 ASP H . . 3.900 3.941 3.674 3.983 0.083 12 0 "[ . 1 . 2]" 1
1028 1 56 VAL HA 1 59 CYS H . . 3.910 3.521 3.406 3.690 . 0 0 "[ . 1 . 2]" 1
1029 1 56 VAL HA 1 59 CYS HB2 . . 3.240 3.292 3.055 3.316 0.076 11 0 "[ . 1 . 2]" 1
1030 1 56 VAL HA 1 59 CYS HB3 . . 3.510 2.196 2.064 2.275 . 0 0 "[ . 1 . 2]" 1
1031 1 56 VAL HA 1 60 VAL H . . 4.590 3.580 3.443 3.722 . 0 0 "[ . 1 . 2]" 1
1032 1 56 VAL HA 1 94 CYS HB2 . . 3.810 3.604 3.410 3.877 0.067 8 0 "[ . 1 . 2]" 1
1033 1 56 VAL HA 1 94 CYS HB3 . . 4.120 2.742 2.551 2.881 . 0 0 "[ . 1 . 2]" 1
1034 1 56 VAL HB 1 57 HIS H . . 3.320 2.538 2.399 2.751 . 0 0 "[ . 1 . 2]" 1
1035 1 56 VAL HB 1 91 GLU QG . . 4.770 4.516 4.276 4.844 0.074 3 0 "[ . 1 . 2]" 1
1036 1 56 VAL HB 1 95 ILE MD . . 5.500 4.487 4.242 4.704 . 0 0 "[ . 1 . 2]" 1
1037 1 56 VAL HB 1 95 ILE HG13 . . 5.500 4.494 4.277 4.652 . 0 0 "[ . 1 . 2]" 1
1038 1 56 VAL MG1 1 57 HIS H . . 3.710 3.252 3.023 3.362 . 0 0 "[ . 1 . 2]" 1
1039 1 56 VAL MG1 1 57 HIS HA . . 3.250 3.339 3.313 3.353 0.103 19 0 "[ . 1 . 2]" 1
1040 1 56 VAL MG1 1 58 ASP H . . 4.720 4.727 4.483 4.782 0.062 15 0 "[ . 1 . 2]" 1
1041 1 56 VAL MG1 1 60 VAL HB . . 5.500 3.817 3.578 4.033 . 0 0 "[ . 1 . 2]" 1
1042 1 56 VAL MG1 1 91 GLU HA . . 3.800 2.307 2.175 2.565 . 0 0 "[ . 1 . 2]" 1
1043 1 56 VAL MG1 1 91 GLU QG . . 3.710 2.183 2.014 2.559 . 0 0 "[ . 1 . 2]" 1
1044 1 56 VAL MG1 1 94 CYS H . . 4.500 4.458 4.158 4.586 0.086 7 0 "[ . 1 . 2]" 1
1045 1 56 VAL MG1 1 94 CYS HB2 . . 3.820 2.574 2.283 3.160 . 0 0 "[ . 1 . 2]" 1
1046 1 56 VAL MG1 1 94 CYS HB3 . . 3.520 3.107 2.835 3.332 . 0 0 "[ . 1 . 2]" 1
1047 1 56 VAL MG1 1 95 ILE MD . . 2.770 2.776 2.615 2.881 0.111 17 0 "[ . 1 . 2]" 1
1048 1 56 VAL MG1 1 95 ILE HG12 . . 4.870 3.608 3.230 3.983 . 0 0 "[ . 1 . 2]" 1
1049 1 56 VAL MG1 1 95 ILE HG13 . . 5.000 2.780 2.423 3.046 . 0 0 "[ . 1 . 2]" 1
1050 1 56 VAL MG2 1 91 GLU HA . . 4.380 4.121 3.884 4.384 0.004 4 0 "[ . 1 . 2]" 1
1051 1 56 VAL MG2 1 91 GLU QG . . 5.330 3.723 3.318 4.057 . 0 0 "[ . 1 . 2]" 1
1052 1 56 VAL MG2 1 94 CYS H . . 5.070 4.863 4.598 5.051 . 0 0 "[ . 1 . 2]" 1
1053 1 56 VAL MG2 1 94 CYS HA . . 4.560 4.562 4.348 4.654 0.094 10 0 "[ . 1 . 2]" 1
1054 1 56 VAL MG2 1 94 CYS HB2 . . 3.920 3.013 2.727 3.786 . 0 0 "[ . 1 . 2]" 1
1055 1 56 VAL MG2 1 94 CYS HB3 . . 3.650 2.531 2.333 2.693 . 0 0 "[ . 1 . 2]" 1
1056 1 56 VAL MG2 1 95 ILE H . . 3.900 3.290 3.082 3.427 . 0 0 "[ . 1 . 2]" 1
1057 1 56 VAL MG2 1 95 ILE HA . . 3.660 3.012 2.767 3.241 . 0 0 "[ . 1 . 2]" 1
1058 1 56 VAL MG2 1 95 ILE HB . . 5.500 4.217 4.075 4.344 . 0 0 "[ . 1 . 2]" 1
1059 1 56 VAL MG2 1 95 ILE MD . . 3.990 2.873 2.584 3.125 . 0 0 "[ . 1 . 2]" 1
1060 1 56 VAL MG2 1 95 ILE HG12 . . 3.460 2.213 2.040 2.483 . 0 0 "[ . 1 . 2]" 1
1061 1 56 VAL MG2 1 95 ILE HG13 . . 2.500 2.162 2.051 2.281 . 0 0 "[ . 1 . 2]" 1
1062 1 56 VAL MG2 1 95 ILE MG . . 4.070 3.717 3.488 4.035 . 0 0 "[ . 1 . 2]" 1
1063 1 56 VAL MG2 1 96 THR H . . 5.500 5.381 5.136 5.551 0.051 17 0 "[ . 1 . 2]" 1
1064 1 57 HIS H 1 57 HIS QB . . 2.700 2.248 1.990 2.417 . 0 0 "[ . 1 . 2]" 1
1065 1 57 HIS H 1 57 HIS HD2 . . 5.500 3.866 2.198 5.427 . 0 0 "[ . 1 . 2]" 1
1066 1 57 HIS H 1 58 ASP H . . 3.370 2.865 2.694 3.057 . 0 0 "[ . 1 . 2]" 1
1067 1 57 HIS HA 1 60 VAL H . . 4.500 3.996 3.628 4.269 . 0 0 "[ . 1 . 2]" 1
1068 1 57 HIS HA 1 60 VAL HB . . 3.980 3.181 2.589 3.590 . 0 0 "[ . 1 . 2]" 1
1069 1 57 HIS HA 1 60 VAL MG2 . . 4.020 3.680 3.409 3.927 . 0 0 "[ . 1 . 2]" 1
1070 1 57 HIS QB 1 58 ASP H . . 3.240 3.022 2.761 3.332 0.092 4 0 "[ . 1 . 2]" 1
1071 1 57 HIS QB 1 58 ASP HA . . 5.500 4.109 3.705 4.852 . 0 0 "[ . 1 . 2]" 1
1072 1 57 HIS QB 1 60 VAL HB . . 5.500 5.063 4.624 5.507 0.007 16 0 "[ . 1 . 2]" 1
1073 1 57 HIS QB 1 61 ASN HD21 . . 5.500 4.773 4.039 5.442 . 0 0 "[ . 1 . 2]" 1
1074 1 57 HIS QB 1 61 ASN HD22 . . 5.500 5.301 4.309 5.601 0.101 4 0 "[ . 1 . 2]" 1
1075 1 58 ASP H 1 58 ASP HB2 . . 3.120 2.626 2.388 2.872 . 0 0 "[ . 1 . 2]" 1
1076 1 58 ASP H 1 58 ASP HB3 . . 2.980 2.495 2.247 2.767 . 0 0 "[ . 1 . 2]" 1
1077 1 58 ASP H 1 59 CYS H . . 3.640 2.303 2.180 2.448 . 0 0 "[ . 1 . 2]" 1
1078 1 58 ASP H 1 59 CYS HA . . 5.030 5.013 4.832 5.087 0.057 4 0 "[ . 1 . 2]" 1
1079 1 58 ASP H 1 60 VAL H . . 5.500 3.792 3.627 3.977 . 0 0 "[ . 1 . 2]" 1
1080 1 58 ASP HA 1 60 VAL H . . 5.120 4.453 4.279 4.624 . 0 0 "[ . 1 . 2]" 1
1081 1 58 ASP HA 1 61 ASN H . . 4.450 3.467 3.196 3.693 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ASP HA 1 61 ASN HB2 . . 3.490 2.579 2.363 2.730 . 0 0 "[ . 1 . 2]" 1
1083 1 58 ASP HA 1 61 ASN HB3 . . 3.810 3.835 3.445 3.896 0.086 17 0 "[ . 1 . 2]" 1
1084 1 58 ASP HA 1 61 ASN HD21 . . 4.530 4.278 3.691 4.591 0.061 2 0 "[ . 1 . 2]" 1
1085 1 58 ASP HA 1 61 ASN HD22 . . 5.470 5.435 4.858 5.549 0.079 5 0 "[ . 1 . 2]" 1
1086 1 58 ASP HB2 1 59 CYS H . . 3.490 3.552 3.436 3.574 0.084 1 0 "[ . 1 . 2]" 1
1087 1 58 ASP HB3 1 59 CYS H . . 3.860 2.213 2.074 2.460 . 0 0 "[ . 1 . 2]" 1
1088 1 58 ASP HB3 1 60 VAL H . . 4.820 4.895 4.870 4.907 0.087 20 0 "[ . 1 . 2]" 1
1089 1 59 CYS H 1 59 CYS HB2 . . 3.260 2.400 2.300 2.667 . 0 0 "[ . 1 . 2]" 1
1090 1 59 CYS H 1 59 CYS HB3 . . 3.350 2.439 2.323 2.525 . 0 0 "[ . 1 . 2]" 1
1091 1 59 CYS H 1 60 VAL H . . 3.610 2.915 2.674 3.070 . 0 0 "[ . 1 . 2]" 1
1092 1 59 CYS H 1 60 VAL MG2 . . 4.990 4.586 4.404 4.720 . 0 0 "[ . 1 . 2]" 1
1093 1 59 CYS HA 1 62 ILE HB . . 5.500 2.975 2.796 3.143 . 0 0 "[ . 1 . 2]" 1
1094 1 59 CYS HA 1 62 ILE MG . . 4.120 4.225 4.195 4.242 0.122 20 0 "[ . 1 . 2]" 1
1095 1 59 CYS HB2 1 60 VAL H . . 4.010 3.795 3.703 3.918 . 0 0 "[ . 1 . 2]" 1
1096 1 59 CYS HB3 1 60 VAL H . . 3.860 2.418 2.341 2.580 . 0 0 "[ . 1 . 2]" 1
1097 1 59 CYS HB3 1 60 VAL MG2 . . 5.500 3.202 3.054 3.356 . 0 0 "[ . 1 . 2]" 1
1098 1 59 CYS HB3 1 94 CYS HB2 . . 4.300 3.970 3.641 4.149 . 0 0 "[ . 1 . 2]" 1
1099 1 59 CYS HB3 1 94 CYS HB3 . . 4.790 3.053 2.946 3.349 . 0 0 "[ . 1 . 2]" 1
1100 1 60 VAL H 1 60 VAL HB . . 3.220 2.385 2.278 2.511 . 0 0 "[ . 1 . 2]" 1
1101 1 60 VAL H 1 60 VAL MG1 . . 4.230 3.759 3.694 3.808 . 0 0 "[ . 1 . 2]" 1
1102 1 60 VAL H 1 60 VAL MG2 . . 3.190 2.322 2.189 2.413 . 0 0 "[ . 1 . 2]" 1
1103 1 60 VAL H 1 61 ASN H . . 3.620 2.714 2.598 2.844 . 0 0 "[ . 1 . 2]" 1
1104 1 60 VAL H 1 62 ILE H . . 5.500 4.307 3.939 4.499 . 0 0 "[ . 1 . 2]" 1
1105 1 60 VAL H 1 90 VAL QG . . 4.360 3.935 3.756 4.173 . 0 0 "[ . 1 . 2]" 1
1106 1 60 VAL H 1 91 GLU HA . . 5.500 5.176 4.949 5.335 . 0 0 "[ . 1 . 2]" 1
1107 1 60 VAL HA 1 60 VAL MG1 . . 3.210 2.497 2.363 2.570 . 0 0 "[ . 1 . 2]" 1
1108 1 60 VAL HA 1 60 VAL MG2 . . 2.790 2.450 2.352 2.582 . 0 0 "[ . 1 . 2]" 1
1109 1 60 VAL HA 1 63 THR H . . 4.790 3.581 3.228 3.917 . 0 0 "[ . 1 . 2]" 1
1110 1 60 VAL HA 1 63 THR HB . . 3.530 2.811 2.453 3.539 0.009 1 0 "[ . 1 . 2]" 1
1111 1 60 VAL HA 1 63 THR HG1 . . 5.500 3.582 3.309 3.871 . 0 0 "[ . 1 . 2]" 1
1112 1 60 VAL HA 1 64 VAL H . . 3.570 3.658 3.639 3.672 0.102 15 0 "[ . 1 . 2]" 1
1113 1 60 VAL HA 1 64 VAL QG . . 4.260 3.266 2.944 3.640 . 0 0 "[ . 1 . 2]" 1
1114 1 60 VAL HA 1 90 VAL HB . . 5.500 3.616 3.377 3.798 . 0 0 "[ . 1 . 2]" 1
1115 1 60 VAL HA 1 90 VAL QG . . 2.950 1.951 1.844 2.206 . 0 0 "[ . 1 . 2]" 1
1116 1 60 VAL HB 1 61 ASN H . . 3.340 2.585 2.437 3.183 . 0 0 "[ . 1 . 2]" 1
1117 1 60 VAL HB 1 90 VAL QG . . 4.630 4.082 3.980 4.456 . 0 0 "[ . 1 . 2]" 1
1118 1 60 VAL MG1 1 61 ASN H . . 3.940 3.250 2.996 3.635 . 0 0 "[ . 1 . 2]" 1
1119 1 60 VAL MG1 1 61 ASN HA . . 3.390 3.368 3.088 3.501 0.111 1 0 "[ . 1 . 2]" 1
1120 1 60 VAL MG1 1 64 VAL H . . 4.990 3.990 3.662 4.551 . 0 0 "[ . 1 . 2]" 1
1121 1 60 VAL MG1 1 86 MET ME . . 5.500 5.320 4.854 5.615 0.115 1 0 "[ . 1 . 2]" 1
1122 1 60 VAL MG1 1 87 GLU HA . . 3.390 2.265 2.074 2.405 . 0 0 "[ . 1 . 2]" 1
1123 1 60 VAL MG1 1 87 GLU HB2 . . 4.600 3.893 3.598 4.112 . 0 0 "[ . 1 . 2]" 1
1124 1 60 VAL MG1 1 87 GLU HB3 . . 3.290 2.687 2.280 3.332 0.042 17 0 "[ . 1 . 2]" 1
1125 1 60 VAL MG1 1 87 GLU HG2 . . 4.060 2.072 1.994 2.211 . 0 0 "[ . 1 . 2]" 1
1126 1 60 VAL MG1 1 87 GLU HG3 . . 3.660 3.463 3.326 3.607 . 0 0 "[ . 1 . 2]" 1
1127 1 60 VAL MG1 1 88 ARG H . . 5.500 5.020 4.625 5.150 . 0 0 "[ . 1 . 2]" 1
1128 1 60 VAL MG1 1 90 VAL HB . . 4.130 2.649 2.175 3.097 . 0 0 "[ . 1 . 2]" 1
1129 1 60 VAL MG1 1 90 VAL QG . . 3.270 2.705 2.370 3.239 . 0 0 "[ . 1 . 2]" 1
1130 1 60 VAL MG1 1 91 GLU H . . 5.440 3.704 3.279 3.888 . 0 0 "[ . 1 . 2]" 1
1131 1 60 VAL MG1 1 91 GLU HA . . 4.300 4.192 3.941 4.387 0.087 12 0 "[ . 1 . 2]" 1
1132 1 60 VAL MG1 1 91 GLU QB . . 4.310 3.554 3.225 3.839 . 0 0 "[ . 1 . 2]" 1
1133 1 60 VAL MG2 1 61 ASN H . . 4.220 3.973 3.847 4.255 0.035 1 0 "[ . 1 . 2]" 1
1134 1 60 VAL MG2 1 87 GLU HA . . 5.500 3.640 3.372 3.895 . 0 0 "[ . 1 . 2]" 1
1135 1 60 VAL MG2 1 87 GLU HB3 . . 4.780 4.254 3.907 4.727 . 0 0 "[ . 1 . 2]" 1
1136 1 60 VAL MG2 1 90 VAL HA . . 5.500 4.234 4.035 4.383 . 0 0 "[ . 1 . 2]" 1
1137 1 60 VAL MG2 1 90 VAL HB . . 3.030 2.930 2.630 3.100 0.070 18 0 "[ . 1 . 2]" 1
1138 1 60 VAL MG2 1 90 VAL QG . . 2.410 2.148 2.060 2.368 . 0 0 "[ . 1 . 2]" 1
1139 1 60 VAL MG2 1 91 GLU H . . 3.790 2.832 2.691 2.964 . 0 0 "[ . 1 . 2]" 1
1140 1 60 VAL MG2 1 91 GLU HA . . 2.880 2.235 2.100 2.376 . 0 0 "[ . 1 . 2]" 1
1141 1 60 VAL MG2 1 91 GLU QB . . 3.840 2.581 2.302 2.849 . 0 0 "[ . 1 . 2]" 1
1142 1 60 VAL MG2 1 91 GLU QG . . 3.900 3.481 2.484 3.966 0.066 19 0 "[ . 1 . 2]" 1
1143 1 60 VAL MG2 1 94 CYS H . . 4.930 4.233 4.022 4.496 . 0 0 "[ . 1 . 2]" 1
1144 1 60 VAL MG2 1 94 CYS HB2 . . 5.500 3.179 2.960 3.421 . 0 0 "[ . 1 . 2]" 1
1145 1 60 VAL MG2 1 94 CYS HB3 . . 4.280 3.818 3.561 4.072 . 0 0 "[ . 1 . 2]" 1
1146 1 61 ASN H 1 61 ASN HB2 . . 2.970 2.155 2.088 2.224 . 0 0 "[ . 1 . 2]" 1
1147 1 61 ASN H 1 61 ASN HB3 . . 3.840 3.417 3.258 3.510 . 0 0 "[ . 1 . 2]" 1
1148 1 61 ASN H 1 62 ILE H . . 3.740 2.856 2.439 3.141 . 0 0 "[ . 1 . 2]" 1
1149 1 61 ASN H 1 62 ILE HB . . 5.500 4.967 4.551 5.123 . 0 0 "[ . 1 . 2]" 1
1150 1 61 ASN HA 1 61 ASN HB2 . . 2.930 2.976 2.893 3.005 0.075 6 0 "[ . 1 . 2]" 1
1151 1 61 ASN HA 1 61 ASN HD22 . . 5.440 3.644 3.219 3.936 . 0 0 "[ . 1 . 2]" 1
1152 1 61 ASN HA 1 64 VAL H . . 4.500 4.066 3.831 4.487 . 0 0 "[ . 1 . 2]" 1
1153 1 61 ASN HA 1 64 VAL HB . . 4.760 4.001 3.044 4.852 0.092 19 0 "[ . 1 . 2]" 1
1154 1 61 ASN HA 1 64 VAL QG . . 4.010 2.864 2.010 3.690 . 0 0 "[ . 1 . 2]" 1
1155 1 61 ASN HA 1 65 LYS HB2 . . 5.060 4.229 3.973 4.594 . 0 0 "[ . 1 . 2]" 1
1156 1 61 ASN HB2 1 61 ASN HD21 . . 3.620 2.433 2.241 2.777 . 0 0 "[ . 1 . 2]" 1
1157 1 61 ASN HB2 1 61 ASN HD22 . . 4.000 3.576 3.465 3.804 . 0 0 "[ . 1 . 2]" 1
1158 1 61 ASN HB2 1 62 ILE H . . 3.520 2.977 2.844 3.326 . 0 0 "[ . 1 . 2]" 1
1159 1 61 ASN HB2 1 62 ILE MD . . 5.500 3.266 3.045 3.561 . 0 0 "[ . 1 . 2]" 1
1160 1 61 ASN HB3 1 61 ASN HD21 . . 3.630 3.504 3.441 3.588 . 0 0 "[ . 1 . 2]" 1
1161 1 61 ASN HB3 1 62 ILE H . . 4.120 2.992 2.415 3.620 . 0 0 "[ . 1 . 2]" 1
1162 1 61 ASN HB3 1 62 ILE MD . . 4.390 2.347 2.118 2.634 . 0 0 "[ . 1 . 2]" 1
1163 1 61 ASN HB3 1 62 ILE HG13 . . 5.500 5.205 4.747 5.581 0.081 10 0 "[ . 1 . 2]" 1
1164 1 61 ASN HD21 1 62 ILE H . . 4.850 4.801 4.694 4.925 0.075 11 0 "[ . 1 . 2]" 1
1165 1 61 ASN HD21 1 62 ILE MD . . 5.160 5.255 5.222 5.267 0.107 2 0 "[ . 1 . 2]" 1
1166 1 61 ASN HD21 1 64 VAL QG . . 5.500 4.600 3.973 5.232 . 0 0 "[ . 1 . 2]" 1
1167 1 62 ILE H 1 62 ILE HB . . 3.160 2.412 2.228 2.696 . 0 0 "[ . 1 . 2]" 1
1168 1 62 ILE H 1 62 ILE MD . . 4.090 2.520 2.313 2.711 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ILE H 1 62 ILE HG12 . . 3.530 2.374 2.283 2.478 . 0 0 "[ . 1 . 2]" 1
1170 1 62 ILE H 1 62 ILE HG13 . . 3.600 3.684 3.660 3.693 0.093 7 0 "[ . 1 . 2]" 1
1171 1 62 ILE H 1 62 ILE MG . . 3.860 3.722 3.638 3.805 . 0 0 "[ . 1 . 2]" 1
1172 1 62 ILE H 1 63 THR H . . 3.480 2.815 2.482 3.027 . 0 0 "[ . 1 . 2]" 1
1173 1 62 ILE H 1 63 THR HG1 . . 5.500 4.549 4.181 5.322 . 0 0 "[ . 1 . 2]" 1
1174 1 62 ILE HA 1 62 ILE MD . . 3.320 2.154 2.085 2.224 . 0 0 "[ . 1 . 2]" 1
1175 1 62 ILE HA 1 62 ILE HG12 . . 3.730 3.545 3.398 3.627 . 0 0 "[ . 1 . 2]" 1
1176 1 62 ILE HA 1 62 ILE HG13 . . 4.220 3.594 3.486 3.734 . 0 0 "[ . 1 . 2]" 1
1177 1 62 ILE HA 1 62 ILE MG . . 3.420 2.536 2.387 2.658 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ILE HA 1 65 LYS H . . 4.180 3.657 3.226 3.862 . 0 0 "[ . 1 . 2]" 1
1179 1 62 ILE HA 1 65 LYS HB2 . . 3.700 3.745 3.553 3.782 0.082 6 0 "[ . 1 . 2]" 1
1180 1 62 ILE HA 1 65 LYS HB3 . . 4.010 2.610 2.442 2.831 . 0 0 "[ . 1 . 2]" 1
1181 1 62 ILE HA 1 65 LYS QD . . 4.790 4.346 3.644 4.733 . 0 0 "[ . 1 . 2]" 1
1182 1 62 ILE HA 1 65 LYS QE . . 4.530 2.732 2.405 3.283 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ILE HA 1 66 GLN H . . 4.430 3.580 3.315 3.961 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ILE HA 1 66 GLN HG3 . . 5.500 4.912 4.380 5.554 0.054 9 0 "[ . 1 . 2]" 1
1185 1 62 ILE HB 1 63 THR H . . 3.860 2.678 2.453 2.947 . 0 0 "[ . 1 . 2]" 1
1186 1 62 ILE HB 1 63 THR HA . . 5.500 4.362 4.001 4.575 . 0 0 "[ . 1 . 2]" 1
1187 1 62 ILE MD 1 62 ILE MG . . 2.640 2.602 2.418 2.746 0.106 7 0 "[ . 1 . 2]" 1
1188 1 62 ILE MD 1 65 LYS HB3 . . 4.130 3.690 3.350 3.939 . 0 0 "[ . 1 . 2]" 1
1189 1 62 ILE MD 1 65 LYS QD . . 3.910 3.932 3.266 4.033 0.123 18 0 "[ . 1 . 2]" 1
1190 1 62 ILE MD 1 65 LYS QE . . 4.590 2.517 1.950 3.010 . 0 0 "[ . 1 . 2]" 1
1191 1 62 ILE HG12 1 62 ILE MG . . 3.720 3.089 3.013 3.148 . 0 0 "[ . 1 . 2]" 1
1192 1 62 ILE HG12 1 63 THR H . . 5.500 4.425 4.033 4.643 . 0 0 "[ . 1 . 2]" 1
1193 1 62 ILE MG 1 63 THR H . . 4.010 3.482 3.224 3.693 . 0 0 "[ . 1 . 2]" 1
1194 1 62 ILE MG 1 63 THR HA . . 4.250 3.479 3.194 3.764 . 0 0 "[ . 1 . 2]" 1
1195 1 62 ILE MG 1 63 THR HG1 . . 5.220 4.330 4.108 5.029 . 0 0 "[ . 1 . 2]" 1
1196 1 62 ILE MG 1 65 LYS QE . . 4.050 3.662 2.942 4.116 0.066 12 0 "[ . 1 . 2]" 1
1197 1 62 ILE MG 1 66 GLN H . . 4.730 3.863 3.586 4.099 . 0 0 "[ . 1 . 2]" 1
1198 1 62 ILE MG 1 66 GLN HE21 . . 4.500 3.641 2.440 4.614 0.114 2 0 "[ . 1 . 2]" 1
1199 1 62 ILE MG 1 66 GLN HE22 . . 4.740 4.595 3.984 4.854 0.114 3 0 "[ . 1 . 2]" 1
1200 1 62 ILE MG 1 66 GLN HG2 . . 4.340 2.476 2.056 2.907 . 0 0 "[ . 1 . 2]" 1
1201 1 62 ILE MG 1 66 GLN HG3 . . 5.210 2.798 2.255 3.570 . 0 0 "[ . 1 . 2]" 1
1202 1 63 THR H 1 63 THR HB . . 3.310 2.453 2.298 2.630 . 0 0 "[ . 1 . 2]" 1
1203 1 63 THR H 1 63 THR HG1 . . 3.330 2.209 1.978 3.058 . 0 0 "[ . 1 . 2]" 1
1204 1 63 THR H 1 63 THR MG . . 4.250 3.735 3.677 3.787 . 0 0 "[ . 1 . 2]" 1
1205 1 63 THR H 1 64 VAL H . . 3.140 3.042 2.810 3.216 0.076 10 0 "[ . 1 . 2]" 1
1206 1 63 THR H 1 64 VAL QG . . 5.500 4.090 3.548 4.572 . 0 0 "[ . 1 . 2]" 1
1207 1 63 THR H 1 65 LYS H . . 5.500 4.340 4.250 4.563 . 0 0 "[ . 1 . 2]" 1
1208 1 63 THR H 1 90 VAL QG . . 4.650 3.818 3.551 3.974 . 0 0 "[ . 1 . 2]" 1
1209 1 63 THR HA 1 63 THR HG1 . . 3.770 3.164 3.003 3.498 . 0 0 "[ . 1 . 2]" 1
1210 1 63 THR HA 1 63 THR MG . . 3.360 2.416 2.350 2.504 . 0 0 "[ . 1 . 2]" 1
1211 1 63 THR HA 1 66 GLN HB2 . . 5.440 3.104 2.730 3.459 . 0 0 "[ . 1 . 2]" 1
1212 1 63 THR HB 1 64 VAL H . . 3.060 2.660 2.410 2.978 . 0 0 "[ . 1 . 2]" 1
1213 1 63 THR HB 1 64 VAL QG . . 3.930 3.319 2.958 3.677 . 0 0 "[ . 1 . 2]" 1
1214 1 63 THR HB 1 90 VAL QG . . 3.320 2.050 1.924 2.188 . 0 0 "[ . 1 . 2]" 1
1215 1 63 THR HG1 1 90 VAL QG . . 5.260 3.204 2.909 3.357 . 0 0 "[ . 1 . 2]" 1
1216 1 63 THR MG 1 64 VAL H . . 3.550 3.388 3.159 3.604 0.054 20 0 "[ . 1 . 2]" 1
1217 1 63 THR MG 1 64 VAL HA . . 5.280 3.647 3.379 4.021 . 0 0 "[ . 1 . 2]" 1
1218 1 63 THR MG 1 64 VAL QG . . 4.890 3.408 2.934 3.945 . 0 0 "[ . 1 . 2]" 1
1219 1 63 THR MG 1 66 GLN HB2 . . 4.670 4.493 4.053 4.743 0.073 18 0 "[ . 1 . 2]" 1
1220 1 63 THR MG 1 67 HIS H . . 5.310 4.608 4.259 4.873 . 0 0 "[ . 1 . 2]" 1
1221 1 63 THR MG 1 90 VAL QG . . 2.600 2.107 1.932 2.468 . 0 0 "[ . 1 . 2]" 1
1222 1 64 VAL H 1 64 VAL HB . . 2.750 2.607 2.279 2.881 0.131 10 0 "[ . 1 . 2]" 1
1223 1 64 VAL H 1 64 VAL QG . . 2.810 2.058 1.718 2.454 . 0 0 "[ . 1 . 2]" 1
1224 1 64 VAL H 1 65 LYS H . . 3.190 2.873 2.750 3.010 . 0 0 "[ . 1 . 2]" 1
1225 1 64 VAL H 1 66 GLN H . . 5.500 4.551 4.377 4.822 . 0 0 "[ . 1 . 2]" 1
1226 1 64 VAL H 1 90 VAL QG . . 3.540 3.130 2.945 3.320 . 0 0 "[ . 1 . 2]" 1
1227 1 64 VAL HA 1 64 VAL QG . . 3.010 2.231 2.153 2.312 . 0 0 "[ . 1 . 2]" 1
1228 1 64 VAL HA 1 67 HIS H . . 4.100 3.606 3.526 3.695 . 0 0 "[ . 1 . 2]" 1
1229 1 64 VAL HA 1 67 HIS HB2 . . 3.050 3.065 2.814 3.460 0.410 3 0 "[ . 1 . 2]" 1
1230 1 64 VAL HA 1 67 HIS HB3 . . 3.400 3.383 2.902 3.479 0.079 5 0 "[ . 1 . 2]" 1
1231 1 64 VAL HA 1 68 THR H . . 5.500 4.176 3.901 4.534 . 0 0 "[ . 1 . 2]" 1
1232 1 64 VAL HA 1 86 MET HB3 . . 5.500 4.775 4.231 5.205 . 0 0 "[ . 1 . 2]" 1
1233 1 64 VAL HA 1 86 MET ME . . 4.040 2.679 2.025 3.408 . 0 0 "[ . 1 . 2]" 1
1234 1 64 VAL HA 1 86 MET QG . . 5.500 4.049 3.366 4.801 . 0 0 "[ . 1 . 2]" 1
1235 1 64 VAL HB 1 65 LYS H . . 3.240 2.890 2.335 3.332 0.092 16 0 "[ . 1 . 2]" 1
1236 1 64 VAL HB 1 65 LYS HA . . 5.430 4.470 4.227 4.629 . 0 0 "[ . 1 . 2]" 1
1237 1 64 VAL HB 1 65 LYS HB2 . . 4.960 4.583 3.897 5.042 0.082 6 0 "[ . 1 . 2]" 1
1238 1 64 VAL HB 1 83 ILE MG . . 5.200 4.128 3.116 5.267 0.067 12 0 "[ . 1 . 2]" 1
1239 1 64 VAL HB 1 86 MET ME . . 4.450 3.344 2.176 4.537 0.087 13 0 "[ . 1 . 2]" 1
1240 1 64 VAL QG 1 65 LYS H . . 3.840 2.407 1.858 3.084 . 0 0 "[ . 1 . 2]" 1
1241 1 64 VAL QG 1 65 LYS HA . . 4.220 3.239 2.809 3.692 . 0 0 "[ . 1 . 2]" 1
1242 1 64 VAL QG 1 65 LYS HB2 . . 5.050 3.338 2.882 3.862 . 0 0 "[ . 1 . 2]" 1
1243 1 64 VAL QG 1 65 LYS QD . . 5.500 4.975 4.436 5.399 . 0 0 "[ . 1 . 2]" 1
1244 1 64 VAL QG 1 65 LYS HG2 . . 5.500 5.342 4.925 5.457 . 0 0 "[ . 1 . 2]" 1
1245 1 64 VAL QG 1 65 LYS HG3 . . 5.330 4.695 4.563 4.934 . 0 0 "[ . 1 . 2]" 1
1246 1 64 VAL QG 1 66 GLN H . . 5.500 4.525 4.253 4.878 . 0 0 "[ . 1 . 2]" 1
1247 1 64 VAL QG 1 67 HIS H . . 5.230 4.491 4.263 4.705 . 0 0 "[ . 1 . 2]" 1
1248 1 64 VAL QG 1 68 THR HB . . 5.500 4.440 3.361 5.294 . 0 0 "[ . 1 . 2]" 1
1249 1 64 VAL QG 1 68 THR MG . . 5.500 4.518 3.687 5.229 . 0 0 "[ . 1 . 2]" 1
1250 1 64 VAL QG 1 83 ILE HA . . 4.620 3.630 3.307 3.768 . 0 0 "[ . 1 . 2]" 1
1251 1 64 VAL QG 1 83 ILE MD . . 2.830 2.547 2.065 2.833 0.003 11 0 "[ . 1 . 2]" 1
1252 1 64 VAL QG 1 83 ILE HG13 . . 5.500 4.543 3.985 4.992 . 0 0 "[ . 1 . 2]" 1
1253 1 64 VAL QG 1 83 ILE MG . . 2.920 2.603 2.179 2.906 . 0 0 "[ . 1 . 2]" 1
1254 1 64 VAL QG 1 86 MET HB2 . . 3.810 3.772 3.407 4.058 0.248 17 0 "[ . 1 . 2]" 1
1255 1 64 VAL QG 1 86 MET HB3 . . 5.500 2.572 2.187 2.874 . 0 0 "[ . 1 . 2]" 1
1256 1 64 VAL QG 1 86 MET ME . . 3.440 2.154 1.839 2.600 . 0 0 "[ . 1 . 2]" 1
1257 1 64 VAL QG 1 86 MET QG . . 3.460 2.563 1.973 3.357 . 0 0 "[ . 1 . 2]" 1
1258 1 64 VAL QG 1 87 GLU H . . 4.820 3.338 3.092 3.623 . 0 0 "[ . 1 . 2]" 1
1259 1 64 VAL QG 1 87 GLU HA . . 3.300 2.902 2.473 3.304 0.004 9 0 "[ . 1 . 2]" 1
1260 1 64 VAL QG 1 87 GLU HG2 . . 3.720 2.222 2.013 2.499 . 0 0 "[ . 1 . 2]" 1
1261 1 64 VAL QG 1 87 GLU HG3 . . 3.370 2.575 2.195 3.228 . 0 0 "[ . 1 . 2]" 1
1262 1 64 VAL QG 1 90 VAL HB . . 4.730 3.137 2.867 3.397 . 0 0 "[ . 1 . 2]" 1
1263 1 64 VAL QG 1 90 VAL QG . . 2.920 2.215 1.901 2.456 . 0 0 "[ . 1 . 2]" 1
1264 1 65 LYS H 1 65 LYS HB2 . . 2.870 2.331 2.230 2.406 . 0 0 "[ . 1 . 2]" 1
1265 1 65 LYS H 1 65 LYS HB3 . . 3.230 2.579 2.365 2.729 . 0 0 "[ . 1 . 2]" 1
1266 1 65 LYS H 1 65 LYS QE . . 4.430 4.347 3.766 4.516 0.086 16 0 "[ . 1 . 2]" 1
1267 1 65 LYS H 1 65 LYS HG3 . . 5.500 4.353 4.268 4.492 . 0 0 "[ . 1 . 2]" 1
1268 1 65 LYS H 1 66 GLN H . . 3.490 2.996 2.880 3.164 . 0 0 "[ . 1 . 2]" 1
1269 1 65 LYS HA 1 65 LYS HB2 . . 2.800 2.495 2.433 2.596 . 0 0 "[ . 1 . 2]" 1
1270 1 65 LYS HA 1 65 LYS QD . . 4.080 3.977 3.801 4.171 0.091 3 0 "[ . 1 . 2]" 1
1271 1 65 LYS HA 1 65 LYS QE . . 5.100 4.491 3.961 4.744 . 0 0 "[ . 1 . 2]" 1
1272 1 65 LYS HA 1 65 LYS HG2 . . 3.710 2.981 2.406 3.325 . 0 0 "[ . 1 . 2]" 1
1273 1 65 LYS HA 1 67 HIS H . . 4.280 4.120 3.913 4.321 0.041 17 0 "[ . 1 . 2]" 1
1274 1 65 LYS HA 1 68 THR H . . 4.240 3.141 2.759 3.279 . 0 0 "[ . 1 . 2]" 1
1275 1 65 LYS HA 1 68 THR HB . . 3.070 2.378 1.933 2.712 . 0 0 "[ . 1 . 2]" 1
1276 1 65 LYS HA 1 68 THR MG . . 4.960 3.643 2.410 4.068 . 0 0 "[ . 1 . 2]" 1
1277 1 65 LYS HA 1 69 VAL H . . 3.730 3.806 3.793 3.828 0.098 2 0 "[ . 1 . 2]" 1
1278 1 65 LYS HB2 1 65 LYS QD . . 3.380 2.542 2.261 3.459 0.079 5 0 "[ . 1 . 2]" 1
1279 1 65 LYS HB2 1 65 LYS QE . . 4.450 3.013 2.397 3.403 . 0 0 "[ . 1 . 2]" 1
1280 1 65 LYS HB3 1 65 LYS QD . . 3.210 2.879 2.492 3.136 . 0 0 "[ . 1 . 2]" 1
1281 1 65 LYS HB3 1 65 LYS QE . . 3.430 2.119 1.990 2.298 . 0 0 "[ . 1 . 2]" 1
1282 1 65 LYS HB3 1 66 GLN H . . 4.400 2.637 2.394 2.875 . 0 0 "[ . 1 . 2]" 1
1283 1 65 LYS HB3 1 66 GLN HA . . 5.190 4.399 4.273 4.598 . 0 0 "[ . 1 . 2]" 1
1284 1 65 LYS QD 1 65 LYS HG2 . . 2.400 2.374 2.168 2.468 0.068 16 0 "[ . 1 . 2]" 1
1285 1 65 LYS QD 1 69 VAL QG . . 4.500 3.407 2.375 4.134 . 0 0 "[ . 1 . 2]" 1
1286 1 65 LYS QE 1 65 LYS HG2 . . 3.850 2.578 2.250 3.601 . 0 0 "[ . 1 . 2]" 1
1287 1 65 LYS QE 1 66 GLN H . . 5.480 4.036 2.745 4.541 . 0 0 "[ . 1 . 2]" 1
1288 1 65 LYS QE 1 66 GLN HE22 . . 4.060 3.820 2.145 4.158 0.098 1 0 "[ . 1 . 2]" 1
1289 1 65 LYS QE 1 69 VAL QG . . 4.740 3.705 2.672 4.220 . 0 0 "[ . 1 . 2]" 1
1290 1 65 LYS HG2 1 66 GLN H . . 5.200 3.961 3.612 4.545 . 0 0 "[ . 1 . 2]" 1
1291 1 65 LYS HG2 1 68 THR HB . . 5.500 4.180 3.218 5.472 . 0 0 "[ . 1 . 2]" 1
1292 1 65 LYS HG2 1 69 VAL QG . . 5.500 2.457 2.196 3.328 . 0 0 "[ . 1 . 2]" 1
1293 1 65 LYS HG3 1 66 GLN H . . 5.500 4.864 4.653 5.361 . 0 0 "[ . 1 . 2]" 1
1294 1 65 LYS HG3 1 69 VAL QG . . 5.420 3.034 2.463 4.203 . 0 0 "[ . 1 . 2]" 1
1295 1 66 GLN H 1 66 GLN HB2 . . 2.950 2.436 2.334 2.595 . 0 0 "[ . 1 . 2]" 1
1296 1 66 GLN H 1 66 GLN HE21 . . 4.090 3.805 2.881 4.183 0.093 3 0 "[ . 1 . 2]" 1
1297 1 66 GLN H 1 66 GLN HG2 . . 3.280 2.437 2.118 2.628 . 0 0 "[ . 1 . 2]" 1
1298 1 66 GLN H 1 66 GLN HG3 . . 3.910 3.792 3.518 3.972 0.062 17 0 "[ . 1 . 2]" 1
1299 1 66 GLN H 1 67 HIS H . . 3.140 2.652 2.501 2.870 . 0 0 "[ . 1 . 2]" 1
1300 1 66 GLN H 1 68 THR H . . 5.500 4.107 3.911 4.392 . 0 0 "[ . 1 . 2]" 1
1301 1 66 GLN HA 1 66 GLN HE21 . . 4.560 3.028 2.106 4.144 . 0 0 "[ . 1 . 2]" 1
1302 1 66 GLN HA 1 66 GLN HE22 . . 5.500 3.416 2.981 3.940 . 0 0 "[ . 1 . 2]" 1
1303 1 66 GLN HA 1 66 GLN HG2 . . 4.230 3.104 2.681 3.635 . 0 0 "[ . 1 . 2]" 1
1304 1 66 GLN HA 1 66 GLN HG3 . . 3.960 3.710 3.637 3.798 . 0 0 "[ . 1 . 2]" 1
1305 1 66 GLN HA 1 68 THR H . . 4.920 4.319 3.966 4.693 . 0 0 "[ . 1 . 2]" 1
1306 1 66 GLN HA 1 69 VAL H . . 3.740 3.468 3.212 3.755 0.015 3 0 "[ . 1 . 2]" 1
1307 1 66 GLN HA 1 69 VAL HB . . 5.500 4.765 2.752 5.561 0.061 18 0 "[ . 1 . 2]" 1
1308 1 66 GLN HA 1 69 VAL QG . . 3.680 2.011 1.900 2.726 . 0 0 "[ . 1 . 2]" 1
1309 1 66 GLN HB2 1 67 HIS H . . 3.930 2.942 2.820 3.081 . 0 0 "[ . 1 . 2]" 1
1310 1 66 GLN HB3 1 66 GLN HE21 . . 4.540 3.942 1.898 4.611 0.071 7 0 "[ . 1 . 2]" 1
1311 1 66 GLN HB3 1 67 HIS H . . 3.770 3.796 3.641 3.859 0.089 9 0 "[ . 1 . 2]" 1
1312 1 66 GLN HE22 1 69 VAL QG . . 5.500 2.888 2.472 3.337 . 0 0 "[ . 1 . 2]" 1
1313 1 66 GLN HG2 1 67 HIS H . . 4.480 4.561 4.541 4.571 0.091 19 0 "[ . 1 . 2]" 1
1314 1 67 HIS H 1 67 HIS HB2 . . 3.840 2.233 2.061 2.455 . 0 0 "[ . 1 . 2]" 1
1315 1 67 HIS H 1 67 HIS HB3 . . 3.070 3.080 2.815 3.150 0.080 1 0 "[ . 1 . 2]" 1
1316 1 67 HIS H 1 67 HIS HD2 . . 5.500 4.854 4.022 5.562 0.062 7 0 "[ . 1 . 2]" 1
1317 1 67 HIS H 1 68 THR H . . 2.400 2.474 2.457 2.483 0.083 7 0 "[ . 1 . 2]" 1
1318 1 67 HIS HB2 1 68 THR H . . 4.240 3.527 3.188 3.945 . 0 0 "[ . 1 . 2]" 1
1319 1 67 HIS HB2 1 86 MET ME . . 4.600 3.978 3.290 4.689 0.089 13 0 "[ . 1 . 2]" 1
1320 1 67 HIS HB3 1 68 THR H . . 4.730 2.992 2.503 3.584 . 0 0 "[ . 1 . 2]" 1
1321 1 67 HIS HB3 1 78 PHE QE . . 5.500 3.340 2.364 4.427 . 0 0 "[ . 1 . 2]" 1
1322 1 67 HIS HB3 1 86 MET ME . . 5.080 3.102 2.512 3.762 . 0 0 "[ . 1 . 2]" 1
1323 1 68 THR H 1 68 THR HB . . 3.270 2.494 2.136 2.741 . 0 0 "[ . 1 . 2]" 1
1324 1 68 THR H 1 68 THR MG . . 3.760 3.729 3.109 3.826 0.066 7 0 "[ . 1 . 2]" 1
1325 1 68 THR H 1 69 VAL H . . 2.880 2.810 2.348 2.956 0.076 18 0 "[ . 1 . 2]" 1
1326 1 68 THR H 1 69 VAL QG . . 5.170 3.735 3.266 4.397 . 0 0 "[ . 1 . 2]" 1
1327 1 68 THR HA 1 68 THR HB . . 3.010 3.024 2.788 3.054 0.044 3 0 "[ . 1 . 2]" 1
1328 1 68 THR HA 1 68 THR MG . . 3.340 2.466 2.284 3.152 . 0 0 "[ . 1 . 2]" 1
1329 1 68 THR HA 1 78 PHE QD . . 3.690 3.208 2.413 3.794 0.104 8 0 "[ . 1 . 2]" 1
1330 1 68 THR HB 1 69 VAL H . . 3.570 2.595 2.391 3.526 . 0 0 "[ . 1 . 2]" 1
1331 1 68 THR HB 1 69 VAL QG . . 5.180 2.971 2.611 4.448 . 0 0 "[ . 1 . 2]" 1
1332 1 68 THR MG 1 69 VAL H . . 3.500 3.330 2.388 3.607 0.107 2 0 "[ . 1 . 2]" 1
1333 1 68 THR MG 1 69 VAL HA . . 3.890 3.534 3.116 3.951 0.061 18 0 "[ . 1 . 2]" 1
1334 1 68 THR MG 1 69 VAL QG . . 5.020 3.019 2.209 3.839 . 0 0 "[ . 1 . 2]" 1
1335 1 68 THR MG 1 78 PHE QB . . 5.500 4.143 2.988 5.298 . 0 0 "[ . 1 . 2]" 1
1336 1 68 THR MG 1 78 PHE QD . . 4.340 3.417 2.194 4.451 0.111 18 0 "[ . 1 . 2]" 1
1337 1 68 THR MG 1 83 ILE MD . . 4.810 3.544 3.007 4.143 . 0 0 "[ . 1 . 2]" 1
1338 1 68 THR MG 1 83 ILE MG . . 5.490 5.453 4.724 5.622 0.132 10 0 "[ . 1 . 2]" 1
1339 1 69 VAL H 1 69 VAL HB . . 3.480 3.482 2.002 3.575 0.095 2 0 "[ . 1 . 2]" 1
1340 1 69 VAL H 1 69 VAL QG . . 3.360 1.993 1.867 2.667 . 0 0 "[ . 1 . 2]" 1
1341 1 69 VAL H 1 70 THR H . . 4.080 3.276 3.124 3.441 . 0 0 "[ . 1 . 2]" 1
1342 1 69 VAL H 1 70 THR MG . . 5.500 4.200 3.256 5.373 . 0 0 "[ . 1 . 2]" 1
1343 1 69 VAL H 1 71 THR H . . 4.630 4.694 4.454 4.724 0.094 2 0 "[ . 1 . 2]" 1
1344 1 69 VAL HA 1 69 VAL QG . . 2.930 2.339 2.224 2.620 . 0 0 "[ . 1 . 2]" 1
1345 1 69 VAL HA 1 70 THR H . . 2.900 2.832 2.428 2.988 0.088 8 0 "[ . 1 . 2]" 1
1346 1 69 VAL HA 1 71 THR H . . 5.110 4.751 3.906 5.149 0.039 8 0 "[ . 1 . 2]" 1
1347 1 69 VAL HA 1 72 THR H . . 4.880 3.812 3.382 4.264 . 0 0 "[ . 1 . 2]" 1
1348 1 69 VAL HA 1 72 THR HB . . 4.550 3.392 2.664 3.913 . 0 0 "[ . 1 . 2]" 1
1349 1 69 VAL HA 1 72 THR MG . . 3.910 2.408 2.094 3.003 . 0 0 "[ . 1 . 2]" 1
1350 1 69 VAL HB 1 70 THR H . . 5.500 4.450 4.270 4.557 . 0 0 "[ . 1 . 2]" 1
1351 1 69 VAL QG 1 70 THR H . . 4.010 3.562 3.297 3.777 . 0 0 "[ . 1 . 2]" 1
1352 1 69 VAL QG 1 70 THR HB . . 4.670 3.479 2.733 3.850 . 0 0 "[ . 1 . 2]" 1
1353 1 69 VAL QG 1 70 THR MG . . 4.630 3.739 2.677 4.591 . 0 0 "[ . 1 . 2]" 1
1354 1 69 VAL QG 1 71 THR H . . 5.170 4.827 4.603 4.936 . 0 0 "[ . 1 . 2]" 1
1355 1 70 THR H 1 70 THR HB . . 3.360 3.312 2.623 3.447 0.087 2 0 "[ . 1 . 2]" 1
1356 1 70 THR H 1 70 THR MG . . 3.310 2.743 2.251 3.427 0.117 10 0 "[ . 1 . 2]" 1
1357 1 70 THR H 1 71 THR H . . 2.400 1.999 1.574 2.203 . 0 0 "[ . 1 . 2]" 1
1358 1 70 THR H 1 71 THR MG . . 5.500 4.391 3.584 5.161 . 0 0 "[ . 1 . 2]" 1
1359 1 70 THR H 1 72 THR H . . 2.400 2.446 2.216 2.480 0.080 18 0 "[ . 1 . 2]" 1
1360 1 70 THR H 1 72 THR HA . . 5.500 5.209 4.934 5.340 . 0 0 "[ . 1 . 2]" 1
1361 1 70 THR H 1 72 THR HB . . 3.600 3.673 3.606 3.689 0.089 1 0 "[ . 1 . 2]" 1
1362 1 70 THR HA 1 70 THR MG . . 3.170 3.224 2.789 3.266 0.096 5 0 "[ . 1 . 2]" 1
1363 1 70 THR MG 1 71 THR H . . 3.650 2.186 1.929 2.607 . 0 0 "[ . 1 . 2]" 1
1364 1 71 THR H 1 71 THR HB . . 3.440 2.352 1.935 3.287 . 0 0 "[ . 1 . 2]" 1
1365 1 71 THR H 1 71 THR MG . . 3.380 3.208 2.534 3.504 0.124 18 0 "[ . 1 . 2]" 1
1366 1 71 THR H 1 72 THR H . . 2.890 2.641 2.374 2.789 . 0 0 "[ . 1 . 2]" 1
1367 1 71 THR H 1 72 THR HA . . 5.500 5.172 4.606 5.380 . 0 0 "[ . 1 . 2]" 1
1368 1 71 THR HA 1 71 THR HB . . 2.790 2.811 2.607 2.891 0.101 12 0 "[ . 1 . 2]" 1
1369 1 71 THR HA 1 71 THR MG . . 3.510 2.768 2.041 3.218 . 0 0 "[ . 1 . 2]" 1
1370 1 71 THR HA 1 72 THR H . . 3.630 3.436 3.259 3.508 . 0 0 "[ . 1 . 2]" 1
1371 1 71 THR HA 1 74 LYS H . . 3.370 3.139 2.758 3.445 0.075 1 0 "[ . 1 . 2]" 1
1372 1 71 THR HA 1 74 LYS QB . . 5.070 2.818 2.359 3.387 . 0 0 "[ . 1 . 2]" 1
1373 1 71 THR HA 1 74 LYS QD . . 5.500 2.424 2.114 3.134 . 0 0 "[ . 1 . 2]" 1
1374 1 71 THR HA 1 74 LYS HG2 . . 5.500 3.881 2.702 4.543 . 0 0 "[ . 1 . 2]" 1
1375 1 71 THR HB 1 72 THR H . . 4.050 3.612 3.035 4.062 0.012 17 0 "[ . 1 . 2]" 1
1376 1 71 THR HB 1 76 GLU QB . . 4.560 4.116 3.165 4.657 0.097 20 0 "[ . 1 . 2]" 1
1377 1 71 THR HB 1 76 GLU QG . . 5.500 4.800 2.288 5.588 0.088 18 0 "[ . 1 . 2]" 1
1378 1 71 THR HB 1 78 PHE QD . . 5.230 4.814 4.130 5.307 0.077 6 0 "[ . 1 . 2]" 1
1379 1 71 THR MG 1 72 THR H . . 4.900 3.428 2.589 4.422 . 0 0 "[ . 1 . 2]" 1
1380 1 71 THR MG 1 72 THR HA . . 4.800 3.812 3.048 4.912 0.112 7 0 "[ . 1 . 2]" 1
1381 1 71 THR MG 1 76 GLU H . . 5.500 3.742 2.519 5.473 . 0 0 "[ . 1 . 2]" 1
1382 1 71 THR MG 1 76 GLU QB . . 4.610 2.551 1.928 3.966 . 0 0 "[ . 1 . 2]" 1
1383 1 71 THR MG 1 76 GLU QG . . 5.500 3.527 2.249 4.255 . 0 0 "[ . 1 . 2]" 1
1384 1 72 THR H 1 72 THR HB . . 2.740 2.218 2.046 2.457 . 0 0 "[ . 1 . 2]" 1
1385 1 72 THR H 1 72 THR MG . . 4.170 2.378 2.085 3.074 . 0 0 "[ . 1 . 2]" 1
1386 1 72 THR H 1 73 THR HB . . 4.210 4.259 3.934 4.293 0.083 10 0 "[ . 1 . 2]" 1
1387 1 72 THR H 1 74 LYS H . . 3.880 3.953 3.920 3.978 0.098 12 0 "[ . 1 . 2]" 1
1388 1 72 THR HA 1 72 THR HB . . 2.680 2.575 2.417 2.760 0.080 15 0 "[ . 1 . 2]" 1
1389 1 72 THR HA 1 72 THR MG . . 3.120 3.212 3.144 3.234 0.114 8 0 "[ . 1 . 2]" 1
1390 1 72 THR HA 1 73 THR H . . 3.520 3.485 3.336 3.579 0.059 3 0 "[ . 1 . 2]" 1
1391 1 72 THR HA 1 74 LYS QB . . 5.500 5.202 4.768 5.361 . 0 0 "[ . 1 . 2]" 1
1392 1 72 THR HA 1 75 GLY H . . 4.600 3.937 3.485 4.483 . 0 0 "[ . 1 . 2]" 1
1393 1 72 THR HA 1 76 GLU H . . 4.460 3.682 2.917 4.534 0.074 13 0 "[ . 1 . 2]" 1
1394 1 72 THR HA 1 76 GLU QB . . 5.500 4.168 2.160 5.306 . 0 0 "[ . 1 . 2]" 1
1395 1 72 THR HB 1 73 THR H . . 4.190 4.045 3.871 4.191 0.001 7 0 "[ . 1 . 2]" 1
1396 1 73 THR H 1 73 THR HB . . 3.060 2.093 1.857 2.222 . 0 0 "[ . 1 . 2]" 1
1397 1 73 THR H 1 73 THR MG . . 3.060 2.741 2.177 3.121 0.061 13 0 "[ . 1 . 2]" 1
1398 1 73 THR H 1 74 LYS HA . . 4.660 4.741 4.685 4.754 0.094 11 0 "[ . 1 . 2]" 1
1399 1 73 THR H 1 74 LYS HG3 . . 5.500 3.752 3.236 5.743 0.243 15 0 "[ . 1 . 2]" 1
1400 1 73 THR HA 1 73 THR MG . . 3.050 3.118 3.018 3.166 0.116 18 0 "[ . 1 . 2]" 1
1401 1 73 THR HB 1 74 LYS HA . . 5.500 5.325 4.725 5.579 0.079 10 0 "[ . 1 . 2]" 1
1402 1 73 THR MG 1 74 LYS H . . 3.960 2.708 2.425 3.004 . 0 0 "[ . 1 . 2]" 1
1403 1 73 THR MG 1 74 LYS QB . . 5.340 3.692 2.334 4.352 . 0 0 "[ . 1 . 2]" 1
1404 1 73 THR MG 1 74 LYS HG2 . . 4.960 3.041 2.402 4.230 . 0 0 "[ . 1 . 2]" 1
1405 1 73 THR MG 1 74 LYS HG3 . . 4.440 2.814 2.092 5.061 0.621 19 2 "[ . 1 - +2]" 1
1406 1 73 THR MG 1 75 GLY H . . 4.470 4.355 4.205 4.545 0.075 1 0 "[ . 1 . 2]" 1
1407 1 73 THR MG 1 76 GLU H . . 5.500 5.604 5.580 5.619 0.119 10 0 "[ . 1 . 2]" 1
1408 1 74 LYS H 1 74 LYS QB . . 3.280 2.485 2.265 2.654 . 0 0 "[ . 1 . 2]" 1
1409 1 74 LYS H 1 74 LYS HG2 . . 3.360 3.210 2.191 3.443 0.083 10 0 "[ . 1 . 2]" 1
1410 1 74 LYS H 1 74 LYS HG3 . . 4.160 2.372 1.996 3.458 . 0 0 "[ . 1 . 2]" 1
1411 1 74 LYS H 1 75 GLY H . . 3.210 2.485 2.234 2.670 . 0 0 "[ . 1 . 2]" 1
1412 1 74 LYS H 1 76 GLU H . . 5.500 3.401 3.083 3.714 . 0 0 "[ . 1 . 2]" 1
1413 1 74 LYS HA 1 74 LYS QD . . 4.320 4.156 3.891 4.395 0.075 19 0 "[ . 1 . 2]" 1
1414 1 74 LYS HA 1 74 LYS QE . . 5.500 4.508 3.689 5.189 . 0 0 "[ . 1 . 2]" 1
1415 1 74 LYS HA 1 74 LYS HG2 . . 3.480 2.701 2.394 3.612 0.132 12 0 "[ . 1 . 2]" 1
1416 1 74 LYS HA 1 74 LYS HG3 . . 3.510 3.170 2.966 3.552 0.042 19 0 "[ . 1 . 2]" 1
1417 1 74 LYS HA 1 75 GLY H . . 3.350 3.262 3.160 3.368 0.018 20 0 "[ . 1 . 2]" 1
1418 1 74 LYS HA 1 76 GLU H . . 5.500 4.585 4.187 5.029 . 0 0 "[ . 1 . 2]" 1
1419 1 74 LYS QB 1 74 LYS QD . . 2.400 2.240 2.105 2.355 . 0 0 "[ . 1 . 2]" 1
1420 1 74 LYS QB 1 75 GLY H . . 3.940 3.404 3.218 3.742 . 0 0 "[ . 1 . 2]" 1
1421 1 74 LYS QB 1 76 GLU H . . 5.490 3.109 2.376 4.536 . 0 0 "[ . 1 . 2]" 1
1422 1 74 LYS QB 1 76 GLU QB . . 5.290 3.389 2.340 5.169 . 0 0 "[ . 1 . 2]" 1
1423 1 74 LYS QD 1 74 LYS HG2 . . 2.400 2.366 2.127 2.500 0.100 11 0 "[ . 1 . 2]" 1
1424 1 74 LYS QD 1 74 LYS HG3 . . 2.550 2.296 2.077 2.510 . 0 0 "[ . 1 . 2]" 1
1425 1 74 LYS QE 1 74 LYS HG2 . . 3.920 2.683 2.141 3.433 . 0 0 "[ . 1 . 2]" 1
1426 1 74 LYS HG2 1 75 GLY H . . 5.360 4.807 3.170 5.237 . 0 0 "[ . 1 . 2]" 1
1427 1 74 LYS HG3 1 75 GLY H . . 4.340 4.261 3.296 4.428 0.088 18 0 "[ . 1 . 2]" 1
1428 1 75 GLY H 1 75 GLY HA3 . . 2.940 2.950 2.902 3.005 0.065 19 0 "[ . 1 . 2]" 1
1429 1 75 GLY H 1 76 GLU H . . 3.290 2.366 2.124 2.622 . 0 0 "[ . 1 . 2]" 1
1430 1 75 GLY H 1 76 GLU QB . . 5.160 4.342 3.850 4.887 . 0 0 "[ . 1 . 2]" 1
1431 1 75 GLY H 1 76 GLU QG . . 4.740 4.336 3.875 4.830 0.090 16 0 "[ . 1 . 2]" 1
1432 1 76 GLU H 1 76 GLU QB . . 3.120 2.432 2.112 3.031 . 0 0 "[ . 1 . 2]" 1
1433 1 76 GLU H 1 76 GLU QG . . 3.730 2.776 2.273 3.312 . 0 0 "[ . 1 . 2]" 1
1434 1 76 GLU H 1 77 ASN H . . 4.260 3.460 2.192 4.348 0.088 6 0 "[ . 1 . 2]" 1
1435 1 76 GLU H 1 77 ASN QD . . 5.500 4.176 3.476 4.959 . 0 0 "[ . 1 . 2]" 1
1436 1 76 GLU HA 1 76 GLU QG . . 3.180 2.758 2.025 3.298 0.118 18 0 "[ . 1 . 2]" 1
1437 1 76 GLU HA 1 77 ASN QD . . 5.500 3.676 2.662 5.166 . 0 0 "[ . 1 . 2]" 1
1438 1 76 GLU QB 1 77 ASN H . . 3.680 2.527 1.867 3.787 0.107 9 0 "[ . 1 . 2]" 1
1439 1 76 GLU QB 1 77 ASN HA . . 5.500 4.104 3.669 4.799 . 0 0 "[ . 1 . 2]" 1
1440 1 76 GLU QB 1 78 PHE H . . 5.500 5.132 2.540 5.599 0.099 2 0 "[ . 1 . 2]" 1
1441 1 76 GLU QG 1 77 ASN H . . 4.180 3.984 2.154 4.282 0.102 15 0 "[ . 1 . 2]" 1
1442 1 77 ASN H 1 77 ASN HB2 . . 4.180 3.567 2.261 4.059 . 0 0 "[ . 1 . 2]" 1
1443 1 77 ASN H 1 77 ASN QD . . 3.610 2.812 1.999 3.583 . 0 0 "[ . 1 . 2]" 1
1444 1 77 ASN H 1 78 PHE H . . 5.250 4.150 2.636 4.639 . 0 0 "[ . 1 . 2]" 1
1445 1 77 ASN H 1 78 PHE QD . . 5.500 5.303 4.623 5.574 0.074 13 0 "[ . 1 . 2]" 1
1446 1 77 ASN HA 1 77 ASN HB2 . . 3.030 2.776 2.341 3.045 0.015 9 0 "[ . 1 . 2]" 1
1447 1 77 ASN HA 1 77 ASN HB3 . . 3.020 2.461 2.297 2.745 . 0 0 "[ . 1 . 2]" 1
1448 1 77 ASN HA 1 78 PHE H . . 2.710 2.467 2.049 2.808 0.098 9 0 "[ . 1 . 2]" 1
1449 1 77 ASN HA 1 78 PHE QB . . 5.500 4.429 4.191 5.042 . 0 0 "[ . 1 . 2]" 1
1450 1 77 ASN HB2 1 78 PHE H . . 3.700 3.044 2.019 4.118 0.418 15 0 "[ . 1 . 2]" 1
1451 1 77 ASN HB2 1 78 PHE QB . . 5.410 5.070 4.314 6.074 0.664 13 2 "[ . 1 + - 2]" 1
1452 1 77 ASN HB3 1 78 PHE H . . 4.040 3.333 2.017 4.133 0.093 18 0 "[ . 1 . 2]" 1
1453 1 77 ASN QD 1 78 PHE H . . 5.500 4.779 4.122 5.244 . 0 0 "[ . 1 . 2]" 1
1454 1 78 PHE H 1 78 PHE QB . . 3.500 2.514 2.173 2.920 . 0 0 "[ . 1 . 2]" 1
1455 1 78 PHE H 1 78 PHE QD . . 4.420 3.443 1.866 4.044 . 0 0 "[ . 1 . 2]" 1
1456 1 78 PHE H 1 79 THR H . . 5.370 4.408 4.165 4.624 . 0 0 "[ . 1 . 2]" 1
1457 1 78 PHE H 1 83 ILE MD . . 5.500 4.839 4.071 5.470 . 0 0 "[ . 1 . 2]" 1
1458 1 78 PHE H 1 83 ILE HG12 . . 5.500 5.257 4.754 5.591 0.091 15 0 "[ . 1 . 2]" 1
1459 1 78 PHE HA 1 78 PHE QD . . 3.210 2.497 1.978 3.132 . 0 0 "[ . 1 . 2]" 1
1460 1 78 PHE HA 1 79 THR H . . 3.090 2.342 2.045 2.623 . 0 0 "[ . 1 . 2]" 1
1461 1 78 PHE HA 1 79 THR HA . . 5.500 4.504 4.423 4.589 . 0 0 "[ . 1 . 2]" 1
1462 1 78 PHE HA 1 79 THR MG . . 4.700 3.859 3.454 4.622 . 0 0 "[ . 1 . 2]" 1
1463 1 78 PHE HA 1 82 ASP H . . 5.500 5.150 4.593 5.560 0.060 7 0 "[ . 1 . 2]" 1
1464 1 78 PHE HA 1 82 ASP HB2 . . 5.500 3.337 2.544 4.233 . 0 0 "[ . 1 . 2]" 1
1465 1 78 PHE QB 1 79 THR H . . 4.140 2.800 2.166 3.646 . 0 0 "[ . 1 . 2]" 1
1466 1 78 PHE QB 1 83 ILE MD . . 4.780 2.581 2.088 3.340 . 0 0 "[ . 1 . 2]" 1
1467 1 78 PHE QB 1 83 ILE HG13 . . 5.500 3.576 3.113 4.222 . 0 0 "[ . 1 . 2]" 1
1468 1 78 PHE QB 1 86 MET ME . . 4.500 3.761 2.988 4.334 . 0 0 "[ . 1 . 2]" 1
1469 1 78 PHE QD 1 79 THR H . . 4.500 3.843 3.225 4.569 0.069 13 0 "[ . 1 . 2]" 1
1470 1 78 PHE QD 1 82 ASP HB2 . . 5.080 3.385 2.448 4.616 . 0 0 "[ . 1 . 2]" 1
1471 1 78 PHE QD 1 82 ASP HB3 . . 4.350 2.833 2.211 4.124 . 0 0 "[ . 1 . 2]" 1
1472 1 78 PHE QD 1 86 MET ME . . 3.740 3.402 2.508 3.869 0.129 18 0 "[ . 1 . 2]" 1
1473 1 78 PHE QE 1 86 MET ME . . 4.910 3.274 2.309 4.323 . 0 0 "[ . 1 . 2]" 1
1474 1 79 THR H 1 79 THR MG . . 3.290 2.746 2.315 3.396 0.106 17 0 "[ . 1 . 2]" 1
1475 1 79 THR H 1 80 GLU H . . 4.900 4.584 4.414 4.693 . 0 0 "[ . 1 . 2]" 1
1476 1 79 THR H 1 82 ASP H . . 4.210 3.116 2.899 3.437 . 0 0 "[ . 1 . 2]" 1
1477 1 79 THR H 1 82 ASP HB2 . . 3.950 2.198 1.684 2.809 . 0 0 "[ . 1 . 2]" 1
1478 1 79 THR H 1 82 ASP HB3 . . 3.920 3.240 2.088 3.955 0.035 8 0 "[ . 1 . 2]" 1
1479 1 79 THR H 1 83 ILE H . . 3.920 3.853 3.369 4.001 0.081 12 0 "[ . 1 . 2]" 1
1480 1 79 THR H 1 83 ILE MD . . 5.500 5.241 4.580 5.599 0.099 11 0 "[ . 1 . 2]" 1
1481 1 79 THR HA 1 79 THR HB . . 2.780 2.560 2.417 2.852 0.072 17 0 "[ . 1 . 2]" 1
1482 1 79 THR HA 1 79 THR MG . . 3.270 2.318 2.082 2.425 . 0 0 "[ . 1 . 2]" 1
1483 1 79 THR HA 1 80 GLU H . . 3.190 2.476 2.324 2.603 . 0 0 "[ . 1 . 2]" 1
1484 1 79 THR HA 1 80 GLU HA . . 4.960 4.419 4.312 4.525 . 0 0 "[ . 1 . 2]" 1
1485 1 79 THR HA 1 81 THR H . . 4.110 4.162 4.066 4.192 0.082 2 0 "[ . 1 . 2]" 1
1486 1 79 THR HA 1 82 ASP H . . 4.960 4.356 4.178 4.479 . 0 0 "[ . 1 . 2]" 1
1487 1 79 THR HB 1 80 GLU H . . 3.360 2.624 2.317 3.085 . 0 0 "[ . 1 . 2]" 1
1488 1 79 THR HB 1 81 THR H . . 4.130 2.515 2.267 2.754 . 0 0 "[ . 1 . 2]" 1
1489 1 79 THR HB 1 81 THR HA . . 5.500 5.214 4.910 5.573 0.073 14 0 "[ . 1 . 2]" 1
1490 1 79 THR HB 1 81 THR HB . . 4.050 3.104 2.883 3.725 . 0 0 "[ . 1 . 2]" 1
1491 1 79 THR HB 1 81 THR MG . . 4.390 4.449 4.072 4.506 0.116 1 0 "[ . 1 . 2]" 1
1492 1 79 THR HB 1 82 ASP H . . 3.700 3.438 3.045 3.768 0.068 16 0 "[ . 1 . 2]" 1
1493 1 79 THR MG 1 80 GLU H . . 4.070 3.673 2.879 3.896 . 0 0 "[ . 1 . 2]" 1
1494 1 79 THR MG 1 81 THR H . . 4.920 4.125 3.731 4.321 . 0 0 "[ . 1 . 2]" 1
1495 1 79 THR MG 1 82 ASP H . . 5.060 4.210 3.973 4.674 . 0 0 "[ . 1 . 2]" 1
1496 1 80 GLU H 1 80 GLU HB2 . . 3.230 2.054 1.922 2.269 . 0 0 "[ . 1 . 2]" 1
1497 1 80 GLU H 1 80 GLU HB3 . . 3.810 3.014 2.608 3.526 . 0 0 "[ . 1 . 2]" 1
1498 1 80 GLU H 1 80 GLU HG2 . . 5.250 4.395 3.773 4.580 . 0 0 "[ . 1 . 2]" 1
1499 1 80 GLU H 1 80 GLU HG3 . . 3.990 3.955 3.151 4.090 0.100 8 0 "[ . 1 . 2]" 1
1500 1 80 GLU H 1 81 THR H . . 3.720 2.737 2.536 2.912 . 0 0 "[ . 1 . 2]" 1
1501 1 80 GLU H 1 81 THR HB . . 5.500 4.664 4.412 5.131 . 0 0 "[ . 1 . 2]" 1
1502 1 80 GLU H 1 82 ASP H . . 4.910 4.203 4.013 4.363 . 0 0 "[ . 1 . 2]" 1
1503 1 80 GLU HA 1 82 ASP H . . 5.500 4.205 3.917 4.432 . 0 0 "[ . 1 . 2]" 1
1504 1 80 GLU HA 1 83 ILE H . . 3.880 3.462 3.201 3.727 . 0 0 "[ . 1 . 2]" 1
1505 1 80 GLU HA 1 83 ILE HB . . 2.730 2.438 2.106 2.764 0.034 9 0 "[ . 1 . 2]" 1
1506 1 80 GLU HA 1 83 ILE MD . . 4.860 4.770 4.393 4.960 0.100 14 0 "[ . 1 . 2]" 1
1507 1 80 GLU HA 1 83 ILE HG12 . . 5.500 3.722 3.273 4.154 . 0 0 "[ . 1 . 2]" 1
1508 1 80 GLU HA 1 83 ILE HG13 . . 5.500 3.433 2.865 3.813 . 0 0 "[ . 1 . 2]" 1
1509 1 80 GLU HA 1 83 ILE MG . . 3.970 3.705 3.215 4.057 0.087 13 0 "[ . 1 . 2]" 1
1510 1 80 GLU HB2 1 80 GLU HG2 . . 2.980 2.831 2.451 3.036 0.056 5 0 "[ . 1 . 2]" 1
1511 1 80 GLU HB2 1 81 THR H . . 3.720 3.407 2.596 3.793 0.073 13 0 "[ . 1 . 2]" 1
1512 1 80 GLU HB2 1 82 ASP H . . 5.490 5.449 5.038 5.570 0.080 8 0 "[ . 1 . 2]" 1
1513 1 80 GLU HB3 1 80 GLU HG3 . . 2.920 2.824 2.419 3.035 0.115 9 0 "[ . 1 . 2]" 1
1514 1 80 GLU HB3 1 81 THR H . . 3.480 2.947 2.613 3.272 . 0 0 "[ . 1 . 2]" 1
1515 1 80 GLU HB3 1 81 THR MG . . 5.500 5.549 5.395 5.627 0.127 12 0 "[ . 1 . 2]" 1
1516 1 80 GLU HB3 1 84 LYS QD . . 5.500 3.915 2.855 5.115 . 0 0 "[ . 1 . 2]" 1
1517 1 80 GLU HG2 1 81 THR H . . 5.500 4.852 4.319 5.279 . 0 0 "[ . 1 . 2]" 1
1518 1 80 GLU HG2 1 84 LYS QD . . 5.010 4.214 3.027 5.100 0.090 15 0 "[ . 1 . 2]" 1
1519 1 80 GLU HG3 1 81 THR H . . 4.870 4.847 4.424 5.081 0.211 9 0 "[ . 1 . 2]" 1
1520 1 80 GLU HG3 1 84 LYS QD . . 5.070 4.814 3.819 5.166 0.096 6 0 "[ . 1 . 2]" 1
1521 1 80 GLU HG3 1 84 LYS HG3 . . 5.460 4.572 3.305 5.531 0.071 2 0 "[ . 1 . 2]" 1
1522 1 81 THR H 1 81 THR HB . . 3.160 2.223 2.058 2.432 . 0 0 "[ . 1 . 2]" 1
1523 1 81 THR H 1 82 ASP H . . 3.210 2.644 2.336 2.817 . 0 0 "[ . 1 . 2]" 1
1524 1 81 THR HA 1 81 THR MG . . 3.100 2.645 2.351 3.104 0.004 13 0 "[ . 1 . 2]" 1
1525 1 81 THR HA 1 84 LYS H . . 4.290 3.406 3.110 3.793 . 0 0 "[ . 1 . 2]" 1
1526 1 81 THR HA 1 84 LYS HB2 . . 3.720 2.420 2.159 2.876 . 0 0 "[ . 1 . 2]" 1
1527 1 81 THR HA 1 84 LYS HB3 . . 5.500 3.923 3.572 4.271 . 0 0 "[ . 1 . 2]" 1
1528 1 81 THR HA 1 84 LYS QD . . 5.500 2.656 2.278 3.214 . 0 0 "[ . 1 . 2]" 1
1529 1 81 THR HA 1 85 MET H . . 4.640 4.078 3.765 4.539 . 0 0 "[ . 1 . 2]" 1
1530 1 81 THR HB 1 82 ASP H . . 3.280 2.939 2.670 3.352 0.072 13 0 "[ . 1 . 2]" 1
1531 1 81 THR MG 1 82 ASP H . . 3.840 3.255 2.478 3.751 . 0 0 "[ . 1 . 2]" 1
1532 1 81 THR MG 1 82 ASP HA . . 4.550 3.383 2.932 3.843 . 0 0 "[ . 1 . 2]" 1
1533 1 81 THR MG 1 84 LYS HB2 . . 5.120 3.996 3.519 4.623 . 0 0 "[ . 1 . 2]" 1
1534 1 81 THR MG 1 84 LYS HB3 . . 5.500 4.874 4.371 5.537 0.037 14 0 "[ . 1 . 2]" 1
1535 1 81 THR MG 1 85 MET H . . 4.180 4.112 3.792 4.280 0.100 7 0 "[ . 1 . 2]" 1
1536 1 81 THR MG 1 85 MET ME . . 3.480 3.008 2.340 3.609 0.129 14 0 "[ . 1 . 2]" 1
1537 1 81 THR MG 1 85 MET QG . . 4.190 3.126 2.865 3.871 . 0 0 "[ . 1 . 2]" 1
1538 1 82 ASP H 1 82 ASP HB2 . . 3.940 2.420 2.211 2.624 . 0 0 "[ . 1 . 2]" 1
1539 1 82 ASP H 1 82 ASP HB3 . . 3.930 3.355 2.410 3.687 . 0 0 "[ . 1 . 2]" 1
1540 1 82 ASP H 1 83 ILE H . . 3.500 2.516 2.293 2.697 . 0 0 "[ . 1 . 2]" 1
1541 1 82 ASP H 1 84 LYS H . . 4.340 3.742 3.520 3.946 . 0 0 "[ . 1 . 2]" 1
1542 1 82 ASP HA 1 84 LYS H . . 4.010 4.085 4.068 4.094 0.084 3 0 "[ . 1 . 2]" 1
1543 1 82 ASP HA 1 85 MET H . . 4.870 3.313 3.052 3.612 . 0 0 "[ . 1 . 2]" 1
1544 1 82 ASP HA 1 85 MET HB2 . . 3.750 2.701 2.271 3.137 . 0 0 "[ . 1 . 2]" 1
1545 1 82 ASP HA 1 86 MET H . . 5.460 3.967 3.698 4.224 . 0 0 "[ . 1 . 2]" 1
1546 1 82 ASP HB2 1 83 ILE H . . 3.650 2.858 2.315 3.727 0.077 7 0 "[ . 1 . 2]" 1
1547 1 82 ASP HB3 1 83 ILE H . . 5.470 3.188 2.272 3.754 . 0 0 "[ . 1 . 2]" 1
1548 1 82 ASP HB3 1 86 MET ME . . 5.120 4.361 3.086 5.219 0.099 2 0 "[ . 1 . 2]" 1
1549 1 83 ILE H 1 83 ILE HB . . 3.020 2.372 2.284 2.554 . 0 0 "[ . 1 . 2]" 1
1550 1 83 ILE H 1 83 ILE MD . . 5.300 3.515 3.214 3.707 . 0 0 "[ . 1 . 2]" 1
1551 1 83 ILE H 1 83 ILE HG12 . . 5.380 2.229 2.084 2.338 . 0 0 "[ . 1 . 2]" 1
1552 1 83 ILE H 1 83 ILE HG13 . . 3.390 3.510 3.429 3.668 0.278 20 0 "[ . 1 . 2]" 1
1553 1 83 ILE H 1 83 ILE MG . . 4.190 3.751 3.698 3.813 . 0 0 "[ . 1 . 2]" 1
1554 1 83 ILE H 1 84 LYS H . . 3.130 2.798 2.726 2.869 . 0 0 "[ . 1 . 2]" 1
1555 1 83 ILE H 1 86 MET ME . . 5.300 4.509 3.638 5.259 . 0 0 "[ . 1 . 2]" 1
1556 1 83 ILE HA 1 83 ILE MD . . 3.990 2.159 2.062 2.262 . 0 0 "[ . 1 . 2]" 1
1557 1 83 ILE HA 1 83 ILE HG12 . . 3.820 2.960 2.822 3.125 . 0 0 "[ . 1 . 2]" 1
1558 1 83 ILE HA 1 83 ILE HG13 . . 3.950 3.764 3.725 3.827 . 0 0 "[ . 1 . 2]" 1
1559 1 83 ILE HA 1 83 ILE MG . . 3.320 2.557 2.472 2.662 . 0 0 "[ . 1 . 2]" 1
1560 1 83 ILE HA 1 86 MET H . . 4.430 3.428 3.067 3.833 . 0 0 "[ . 1 . 2]" 1
1561 1 83 ILE HA 1 86 MET HB2 . . 4.190 3.070 2.489 3.487 . 0 0 "[ . 1 . 2]" 1
1562 1 83 ILE HA 1 86 MET HB3 . . 3.540 2.860 2.581 3.474 . 0 0 "[ . 1 . 2]" 1
1563 1 83 ILE HA 1 86 MET ME . . 3.320 2.574 2.112 3.178 . 0 0 "[ . 1 . 2]" 1
1564 1 83 ILE HA 1 87 GLU H . . 5.500 3.715 3.508 3.894 . 0 0 "[ . 1 . 2]" 1
1565 1 83 ILE HB 1 83 ILE MD . . 3.680 3.280 3.252 3.306 . 0 0 "[ . 1 . 2]" 1
1566 1 83 ILE HB 1 84 LYS H . . 3.000 2.858 2.675 3.025 0.025 17 0 "[ . 1 . 2]" 1
1567 1 83 ILE MD 1 83 ILE MG . . 2.400 2.088 2.037 2.132 . 0 0 "[ . 1 . 2]" 1
1568 1 83 ILE MD 1 84 LYS H . . 5.500 4.905 4.782 4.983 . 0 0 "[ . 1 . 2]" 1
1569 1 83 ILE MD 1 86 MET ME . . 3.760 2.142 1.873 2.568 . 0 0 "[ . 1 . 2]" 1
1570 1 83 ILE MD 1 87 GLU H . . 4.880 4.944 4.784 4.982 0.102 9 0 "[ . 1 . 2]" 1
1571 1 83 ILE HG12 1 83 ILE MG . . 3.160 3.236 3.215 3.252 0.092 15 0 "[ . 1 . 2]" 1
1572 1 83 ILE HG13 1 83 ILE MG . . 3.430 2.383 2.285 2.449 . 0 0 "[ . 1 . 2]" 1
1573 1 83 ILE MG 1 84 LYS H . . 3.950 3.467 3.216 3.769 . 0 0 "[ . 1 . 2]" 1
1574 1 83 ILE MG 1 84 LYS HA . . 4.010 3.559 3.262 3.922 . 0 0 "[ . 1 . 2]" 1
1575 1 83 ILE MG 1 86 MET HB3 . . 5.500 3.922 3.347 4.340 . 0 0 "[ . 1 . 2]" 1
1576 1 83 ILE MG 1 86 MET ME . . 3.780 3.437 2.744 3.827 0.047 11 0 "[ . 1 . 2]" 1
1577 1 83 ILE MG 1 87 GLU H . . 4.390 3.796 3.537 3.950 . 0 0 "[ . 1 . 2]" 1
1578 1 83 ILE MG 1 87 GLU HB3 . . 5.330 4.880 4.509 5.285 . 0 0 "[ . 1 . 2]" 1
1579 1 83 ILE MG 1 87 GLU HG2 . . 4.040 3.828 3.563 4.138 0.098 9 0 "[ . 1 . 2]" 1
1580 1 83 ILE MG 1 87 GLU HG3 . . 4.850 2.606 2.382 2.889 . 0 0 "[ . 1 . 2]" 1
1581 1 84 LYS H 1 84 LYS HB2 . . 2.950 2.218 2.116 2.301 . 0 0 "[ . 1 . 2]" 1
1582 1 84 LYS H 1 84 LYS HB3 . . 3.650 3.514 3.404 3.572 . 0 0 "[ . 1 . 2]" 1
1583 1 84 LYS H 1 84 LYS QD . . 4.290 3.809 3.457 4.156 . 0 0 "[ . 1 . 2]" 1
1584 1 84 LYS H 1 84 LYS HG2 . . 4.480 4.103 3.962 4.336 . 0 0 "[ . 1 . 2]" 1
1585 1 84 LYS H 1 84 LYS HG3 . . 3.730 2.952 2.775 3.288 . 0 0 "[ . 1 . 2]" 1
1586 1 84 LYS H 1 85 MET H . . 3.170 2.817 2.650 2.996 . 0 0 "[ . 1 . 2]" 1
1587 1 84 LYS H 1 85 MET HB2 . . 5.350 4.776 4.280 5.118 . 0 0 "[ . 1 . 2]" 1
1588 1 84 LYS H 1 86 MET H . . 4.330 4.011 3.810 4.285 . 0 0 "[ . 1 . 2]" 1
1589 1 84 LYS HA 1 84 LYS QD . . 4.080 4.000 3.933 4.121 0.041 7 0 "[ . 1 . 2]" 1
1590 1 84 LYS HA 1 84 LYS QE . . 4.510 4.324 3.988 4.601 0.091 14 0 "[ . 1 . 2]" 1
1591 1 84 LYS HA 1 84 LYS HG2 . . 3.580 2.473 2.285 2.638 . 0 0 "[ . 1 . 2]" 1
1592 1 84 LYS HA 1 84 LYS HG3 . . 4.260 2.567 2.367 2.821 . 0 0 "[ . 1 . 2]" 1
1593 1 84 LYS HA 1 87 GLU H . . 4.370 3.479 3.110 3.713 . 0 0 "[ . 1 . 2]" 1
1594 1 84 LYS HA 1 87 GLU HB2 . . 3.880 2.735 2.442 2.951 . 0 0 "[ . 1 . 2]" 1
1595 1 84 LYS HA 1 87 GLU HB3 . . 4.550 4.402 3.997 4.620 0.070 20 0 "[ . 1 . 2]" 1
1596 1 84 LYS HA 1 87 GLU HG3 . . 4.940 3.953 3.497 4.404 . 0 0 "[ . 1 . 2]" 1
1597 1 84 LYS HA 1 88 ARG QD . . 5.500 4.800 3.799 5.399 . 0 0 "[ . 1 . 2]" 1
1598 1 84 LYS HB2 1 84 LYS QD . . 3.200 2.366 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
1599 1 84 LYS HB2 1 85 MET H . . 2.870 2.669 2.435 2.928 0.058 20 0 "[ . 1 . 2]" 1
1600 1 84 LYS HB3 1 84 LYS QD . . 3.220 2.675 2.365 3.164 . 0 0 "[ . 1 . 2]" 1
1601 1 84 LYS HB3 1 84 LYS QE . . 4.960 3.485 2.106 4.286 . 0 0 "[ . 1 . 2]" 1
1602 1 84 LYS HB3 1 85 MET H . . 2.960 3.018 2.930 3.046 0.086 9 0 "[ . 1 . 2]" 1
1603 1 84 LYS HB3 1 85 MET HA . . 4.430 4.132 3.915 4.399 . 0 0 "[ . 1 . 2]" 1
1604 1 84 LYS HB3 1 85 MET QG . . 5.350 3.942 3.662 4.466 . 0 0 "[ . 1 . 2]" 1
1605 1 84 LYS QD 1 84 LYS HG2 . . 2.480 2.401 2.327 2.517 0.037 15 0 "[ . 1 . 2]" 1
1606 1 84 LYS QD 1 84 LYS HG3 . . 2.400 2.299 2.147 2.433 0.033 17 0 "[ . 1 . 2]" 1
1607 1 84 LYS HG2 1 85 MET H . . 5.500 4.970 4.904 5.039 . 0 0 "[ . 1 . 2]" 1
1608 1 84 LYS HG3 1 85 MET H . . 4.920 4.740 4.561 4.918 . 0 0 "[ . 1 . 2]" 1
1609 1 85 MET H 1 85 MET HB2 . . 3.610 2.509 2.280 2.785 . 0 0 "[ . 1 . 2]" 1
1610 1 85 MET H 1 85 MET ME . . 4.370 4.455 4.369 4.489 0.119 13 0 "[ . 1 . 2]" 1
1611 1 85 MET H 1 85 MET QG . . 3.070 2.237 1.691 3.056 . 0 0 "[ . 1 . 2]" 1
1612 1 85 MET H 1 86 MET H . . 3.530 2.939 2.781 3.081 . 0 0 "[ . 1 . 2]" 1
1613 1 85 MET H 1 87 GLU H . . 5.100 4.654 4.391 4.820 . 0 0 "[ . 1 . 2]" 1
1614 1 85 MET HA 1 85 MET HB3 . . 2.780 2.502 2.361 2.640 . 0 0 "[ . 1 . 2]" 1
1615 1 85 MET HA 1 85 MET QG . . 3.220 2.394 2.068 2.906 . 0 0 "[ . 1 . 2]" 1
1616 1 85 MET HA 1 87 GLU H . . 5.330 4.936 4.705 5.124 . 0 0 "[ . 1 . 2]" 1
1617 1 85 MET HA 1 88 ARG H . . 4.620 3.766 3.444 4.101 . 0 0 "[ . 1 . 2]" 1
1618 1 85 MET HA 1 88 ARG HB2 . . 3.810 2.930 2.446 3.746 . 0 0 "[ . 1 . 2]" 1
1619 1 85 MET HA 1 88 ARG HB3 . . 3.940 3.724 2.961 4.009 0.069 13 0 "[ . 1 . 2]" 1
1620 1 85 MET HB2 1 86 MET H . . 4.010 2.731 2.302 2.997 . 0 0 "[ . 1 . 2]" 1
1621 1 85 MET HB3 1 86 MET H . . 4.270 3.623 3.291 3.954 . 0 0 "[ . 1 . 2]" 1
1622 1 85 MET ME 1 85 MET QG . . 3.570 2.221 2.108 2.326 . 0 0 "[ . 1 . 2]" 1
1623 1 86 MET H 1 86 MET HB2 . . 4.170 2.327 2.058 2.540 . 0 0 "[ . 1 . 2]" 1
1624 1 86 MET H 1 86 MET HB3 . . 3.540 2.846 2.593 3.305 . 0 0 "[ . 1 . 2]" 1
1625 1 86 MET H 1 86 MET ME . . 4.730 3.982 3.592 4.374 . 0 0 "[ . 1 . 2]" 1
1626 1 86 MET H 1 86 MET QG . . 4.440 3.840 3.484 3.950 . 0 0 "[ . 1 . 2]" 1
1627 1 86 MET H 1 87 GLU H . . 3.860 2.887 2.748 3.015 . 0 0 "[ . 1 . 2]" 1
1628 1 86 MET H 1 88 ARG H . . 5.500 4.249 4.006 4.403 . 0 0 "[ . 1 . 2]" 1
1629 1 86 MET HA 1 86 MET ME . . 5.500 4.250 4.155 4.410 . 0 0 "[ . 1 . 2]" 1
1630 1 86 MET HA 1 86 MET QG . . 3.660 2.191 2.041 2.336 . 0 0 "[ . 1 . 2]" 1
1631 1 86 MET HA 1 89 VAL H . . 4.490 3.509 3.322 3.673 . 0 0 "[ . 1 . 2]" 1
1632 1 86 MET HA 1 89 VAL HB . . 3.890 3.926 3.787 4.001 0.111 17 0 "[ . 1 . 2]" 1
1633 1 86 MET HA 1 89 VAL QG . . 3.740 2.294 1.836 2.554 . 0 0 "[ . 1 . 2]" 1
1634 1 86 MET HA 1 90 VAL H . . 4.310 3.796 3.450 4.025 . 0 0 "[ . 1 . 2]" 1
1635 1 86 MET HA 1 90 VAL QG . . 4.240 3.159 2.760 3.417 . 0 0 "[ . 1 . 2]" 1
1636 1 86 MET HB2 1 86 MET ME . . 3.410 2.268 2.096 2.637 . 0 0 "[ . 1 . 2]" 1
1637 1 86 MET HB2 1 87 GLU H . . 5.020 3.588 3.117 3.818 . 0 0 "[ . 1 . 2]" 1
1638 1 86 MET HB3 1 86 MET ME . . 3.200 2.231 2.052 2.416 . 0 0 "[ . 1 . 2]" 1
1639 1 86 MET HB3 1 87 GLU H . . 3.550 2.411 2.262 2.639 . 0 0 "[ . 1 . 2]" 1
1640 1 86 MET HB3 1 87 GLU HA . . 5.500 3.984 3.675 4.217 . 0 0 "[ . 1 . 2]" 1
1641 1 86 MET HB3 1 89 VAL QG . . 5.430 4.537 4.180 4.706 . 0 0 "[ . 1 . 2]" 1
1642 1 86 MET HB3 1 90 VAL QG . . 3.770 3.581 2.863 3.815 0.045 12 0 "[ . 1 . 2]" 1
1643 1 86 MET ME 1 86 MET QG . . 3.240 2.628 2.372 2.798 . 0 0 "[ . 1 . 2]" 1
1644 1 86 MET ME 1 87 GLU H . . 5.500 4.122 3.797 4.429 . 0 0 "[ . 1 . 2]" 1
1645 1 86 MET ME 1 89 VAL QG . . 5.110 5.117 4.931 5.153 0.043 16 0 "[ . 1 . 2]" 1
1646 1 86 MET QG 1 89 VAL QG . . 4.230 2.871 2.655 2.979 . 0 0 "[ . 1 . 2]" 1
1647 1 86 MET QG 1 90 VAL QG . . 3.680 2.011 1.843 2.319 . 0 0 "[ . 1 . 2]" 1
1648 1 87 GLU H 1 87 GLU HB2 . . 3.540 2.398 2.306 2.528 . 0 0 "[ . 1 . 2]" 1
1649 1 87 GLU H 1 87 GLU HB3 . . 3.580 3.581 3.528 3.641 0.061 9 0 "[ . 1 . 2]" 1
1650 1 87 GLU H 1 87 GLU HG2 . . 3.480 3.394 3.075 3.536 0.056 15 0 "[ . 1 . 2]" 1
1651 1 87 GLU H 1 87 GLU HG3 . . 3.620 2.540 2.270 3.314 . 0 0 "[ . 1 . 2]" 1
1652 1 87 GLU H 1 88 ARG H . . 3.700 2.940 2.821 3.110 . 0 0 "[ . 1 . 2]" 1
1653 1 87 GLU H 1 90 VAL QG . . 4.860 4.222 3.804 4.384 . 0 0 "[ . 1 . 2]" 1
1654 1 87 GLU HA 1 87 GLU HG2 . . 3.660 2.255 2.100 2.455 . 0 0 "[ . 1 . 2]" 1
1655 1 87 GLU HA 1 87 GLU HG3 . . 3.650 3.082 2.878 3.370 . 0 0 "[ . 1 . 2]" 1
1656 1 87 GLU HA 1 89 VAL H . . 4.840 4.542 3.940 4.844 0.004 13 0 "[ . 1 . 2]" 1
1657 1 87 GLU HA 1 90 VAL H . . 4.190 3.520 3.379 3.681 . 0 0 "[ . 1 . 2]" 1
1658 1 87 GLU HA 1 90 VAL HB . . 3.700 2.394 2.253 2.546 . 0 0 "[ . 1 . 2]" 1
1659 1 87 GLU HA 1 91 GLU QB . . 5.340 4.433 4.159 4.678 . 0 0 "[ . 1 . 2]" 1
1660 1 87 GLU HB2 1 88 ARG H . . 3.700 2.885 2.697 3.107 . 0 0 "[ . 1 . 2]" 1
1661 1 87 GLU HB3 1 88 ARG H . . 3.910 3.584 3.159 3.901 . 0 0 "[ . 1 . 2]" 1
1662 1 87 GLU HG2 1 88 ARG H . . 5.330 5.057 4.886 5.266 . 0 0 "[ . 1 . 2]" 1
1663 1 87 GLU HG2 1 90 VAL HB . . 4.030 4.110 4.091 4.121 0.091 12 0 "[ . 1 . 2]" 1
1664 1 87 GLU HG3 1 88 ARG H . . 5.500 4.751 4.577 5.157 . 0 0 "[ . 1 . 2]" 1
1665 1 88 ARG H 1 88 ARG HB2 . . 3.330 2.081 1.997 2.161 . 0 0 "[ . 1 . 2]" 1
1666 1 88 ARG H 1 88 ARG HB3 . . 3.560 3.095 2.622 3.414 . 0 0 "[ . 1 . 2]" 1
1667 1 88 ARG H 1 88 ARG QD . . 5.340 3.356 2.817 3.864 . 0 0 "[ . 1 . 2]" 1
1668 1 88 ARG H 1 88 ARG HG2 . . 5.080 4.292 2.429 4.687 . 0 0 "[ . 1 . 2]" 1
1669 1 88 ARG H 1 88 ARG HG3 . . 4.200 4.208 3.563 4.290 0.090 7 0 "[ . 1 . 2]" 1
1670 1 88 ARG H 1 89 VAL H . . 3.480 2.849 2.664 3.042 . 0 0 "[ . 1 . 2]" 1
1671 1 88 ARG H 1 89 VAL QG . . 5.500 4.480 3.686 4.764 . 0 0 "[ . 1 . 2]" 1
1672 1 88 ARG H 1 90 VAL H . . 5.250 4.143 3.951 4.387 . 0 0 "[ . 1 . 2]" 1
1673 1 88 ARG HA 1 88 ARG QD . . 3.380 2.467 1.935 3.167 . 0 0 "[ . 1 . 2]" 1
1674 1 88 ARG HA 1 88 ARG HE . . 5.180 4.404 2.843 4.984 . 0 0 "[ . 1 . 2]" 1
1675 1 88 ARG HA 1 88 ARG HG2 . . 3.640 3.514 2.829 3.677 0.037 5 0 "[ . 1 . 2]" 1
1676 1 88 ARG HA 1 88 ARG HG3 . . 3.970 2.464 2.061 3.708 . 0 0 "[ . 1 . 2]" 1
1677 1 88 ARG HA 1 91 GLU H . . 5.140 3.872 3.337 4.420 . 0 0 "[ . 1 . 2]" 1
1678 1 88 ARG HA 1 91 GLU QB . . 3.350 3.023 2.433 3.431 0.081 16 0 "[ . 1 . 2]" 1
1679 1 88 ARG HB2 1 88 ARG HE . . 5.040 4.230 3.305 4.473 . 0 0 "[ . 1 . 2]" 1
1680 1 88 ARG HB2 1 89 VAL H . . 3.560 3.186 2.471 3.616 0.056 5 0 "[ . 1 . 2]" 1
1681 1 88 ARG HB3 1 88 ARG HE . . 4.440 4.331 3.424 4.525 0.085 18 0 "[ . 1 . 2]" 1
1682 1 88 ARG HB3 1 88 ARG HG2 . . 2.500 2.369 2.233 3.027 0.527 12 2 "[ . 1 + . -]" 1
1683 1 88 ARG HB3 1 88 ARG HG3 . . 2.910 2.575 2.373 2.865 . 0 0 "[ . 1 . 2]" 1
1684 1 88 ARG HB3 1 89 VAL H . . 3.550 2.594 2.363 3.209 . 0 0 "[ . 1 . 2]" 1
1685 1 88 ARG HB3 1 89 VAL HB . . 5.500 3.842 2.811 5.309 . 0 0 "[ . 1 . 2]" 1
1686 1 88 ARG HB3 1 90 VAL H . . 4.760 4.884 4.792 5.439 0.679 20 2 "[ . 1 - . +]" 1
1687 1 88 ARG QD 1 88 ARG HH22 . . 4.610 4.268 4.054 4.394 . 0 0 "[ . 1 . 2]" 1
1688 1 88 ARG HG2 1 89 VAL H . . 4.790 4.734 4.509 4.855 0.065 3 0 "[ . 1 . 2]" 1
1689 1 88 ARG HG3 1 89 VAL H . . 5.500 4.560 4.215 4.858 . 0 0 "[ . 1 . 2]" 1
1690 1 88 ARG HG3 1 91 GLU QB . . 5.340 4.626 3.681 6.316 0.976 20 1 "[ . 1 . +]" 1
1691 1 89 VAL H 1 89 VAL HB . . 3.200 2.404 2.272 3.289 0.089 17 0 "[ . 1 . 2]" 1
1692 1 89 VAL H 1 89 VAL QG . . 3.310 2.557 1.765 2.721 . 0 0 "[ . 1 . 2]" 1
1693 1 89 VAL H 1 90 VAL H . . 3.310 2.488 2.146 2.660 . 0 0 "[ . 1 . 2]" 1
1694 1 89 VAL H 1 90 VAL QG . . 4.340 3.974 3.791 4.165 . 0 0 "[ . 1 . 2]" 1
1695 1 89 VAL HA 1 89 VAL QG . . 3.210 2.124 2.060 2.191 . 0 0 "[ . 1 . 2]" 1
1696 1 89 VAL HA 1 92 GLN H . . 4.070 3.355 3.046 3.527 . 0 0 "[ . 1 . 2]" 1
1697 1 89 VAL HA 1 92 GLN HB2 . . 3.800 3.151 2.868 3.458 . 0 0 "[ . 1 . 2]" 1
1698 1 89 VAL HA 1 92 GLN HG2 . . 4.480 3.429 2.219 4.412 . 0 0 "[ . 1 . 2]" 1
1699 1 89 VAL HA 1 92 GLN HG3 . . 5.220 3.208 2.842 3.721 . 0 0 "[ . 1 . 2]" 1
1700 1 89 VAL HA 1 93 MET H . . 5.500 4.140 3.893 4.341 . 0 0 "[ . 1 . 2]" 1
1701 1 89 VAL HB 1 90 VAL H . . 3.630 3.669 3.176 3.708 0.078 12 0 "[ . 1 . 2]" 1
1702 1 89 VAL HB 1 90 VAL QG . . 5.500 4.416 3.484 4.686 . 0 0 "[ . 1 . 2]" 1
1703 1 89 VAL QG 1 90 VAL H . . 3.510 2.279 2.129 2.389 . 0 0 "[ . 1 . 2]" 1
1704 1 89 VAL QG 1 90 VAL HA . . 3.470 3.034 2.814 3.518 0.048 17 0 "[ . 1 . 2]" 1
1705 1 89 VAL QG 1 90 VAL HB . . 5.220 3.886 3.795 4.081 . 0 0 "[ . 1 . 2]" 1
1706 1 89 VAL QG 1 90 VAL QG . . 3.160 2.208 2.096 2.474 . 0 0 "[ . 1 . 2]" 1
1707 1 89 VAL QG 1 92 GLN H . . 4.950 4.172 3.952 4.524 . 0 0 "[ . 1 . 2]" 1
1708 1 89 VAL QG 1 92 GLN HB2 . . 5.500 3.445 3.189 4.177 . 0 0 "[ . 1 . 2]" 1
1709 1 89 VAL QG 1 93 MET ME . . 3.990 3.040 2.067 3.717 . 0 0 "[ . 1 . 2]" 1
1710 1 89 VAL QG 1 93 MET HG3 . . 5.500 2.624 2.315 4.080 . 0 0 "[ . 1 . 2]" 1
1711 1 90 VAL H 1 90 VAL HB . . 3.160 2.502 2.411 2.612 . 0 0 "[ . 1 . 2]" 1
1712 1 90 VAL H 1 90 VAL QG . . 3.280 2.282 2.103 2.409 . 0 0 "[ . 1 . 2]" 1
1713 1 90 VAL H 1 91 GLU H . . 3.790 2.761 2.619 2.917 . 0 0 "[ . 1 . 2]" 1
1714 1 90 VAL H 1 92 GLN H . . 5.060 4.263 4.021 4.412 . 0 0 "[ . 1 . 2]" 1
1715 1 90 VAL H 1 93 MET ME . . 5.290 4.897 3.775 5.389 0.099 6 0 "[ . 1 . 2]" 1
1716 1 90 VAL HA 1 90 VAL QG . . 2.980 2.146 2.060 2.219 . 0 0 "[ . 1 . 2]" 1
1717 1 90 VAL HA 1 93 MET H . . 3.800 3.352 3.137 3.560 . 0 0 "[ . 1 . 2]" 1
1718 1 90 VAL HA 1 93 MET QB . . 4.310 2.319 2.118 2.582 . 0 0 "[ . 1 . 2]" 1
1719 1 90 VAL HA 1 93 MET ME . . 3.710 3.107 2.171 3.794 0.084 19 0 "[ . 1 . 2]" 1
1720 1 90 VAL HA 1 93 MET HG2 . . 5.500 4.650 3.833 5.119 . 0 0 "[ . 1 . 2]" 1
1721 1 90 VAL HA 1 94 CYS H . . 3.810 3.655 3.455 3.808 . 0 0 "[ . 1 . 2]" 1
1722 1 90 VAL HB 1 91 GLU H . . 3.090 2.940 2.737 3.091 0.001 10 0 "[ . 1 . 2]" 1
1723 1 90 VAL HB 1 91 GLU HA . . 5.500 4.735 4.518 4.872 . 0 0 "[ . 1 . 2]" 1
1724 1 90 VAL HB 1 91 GLU QB . . 4.780 4.497 4.214 4.687 . 0 0 "[ . 1 . 2]" 1
1725 1 90 VAL QG 1 91 GLU H . . 4.260 3.397 3.282 3.520 . 0 0 "[ . 1 . 2]" 1
1726 1 90 VAL QG 1 91 GLU HA . . 4.850 3.805 3.590 3.986 . 0 0 "[ . 1 . 2]" 1
1727 1 90 VAL QG 1 93 MET H . . 5.270 4.418 4.182 4.588 . 0 0 "[ . 1 . 2]" 1
1728 1 90 VAL QG 1 93 MET ME . . 3.720 2.883 2.063 3.576 . 0 0 "[ . 1 . 2]" 1
1729 1 90 VAL QG 1 94 CYS H . . 4.630 3.707 3.481 3.934 . 0 0 "[ . 1 . 2]" 1
1730 1 90 VAL QG 1 94 CYS HB3 . . 5.500 4.724 4.502 4.867 . 0 0 "[ . 1 . 2]" 1
1731 1 91 GLU H 1 91 GLU QB . . 3.380 2.166 2.003 2.232 . 0 0 "[ . 1 . 2]" 1
1732 1 91 GLU H 1 91 GLU QG . . 4.250 3.947 3.892 4.034 . 0 0 "[ . 1 . 2]" 1
1733 1 91 GLU H 1 92 GLN H . . 3.140 2.904 2.766 3.074 . 0 0 "[ . 1 . 2]" 1
1734 1 91 GLU H 1 92 GLN HG2 . . 5.210 4.559 4.079 4.872 . 0 0 "[ . 1 . 2]" 1
1735 1 91 GLU HA 1 91 GLU QG . . 3.670 2.585 2.320 2.896 . 0 0 "[ . 1 . 2]" 1
1736 1 91 GLU HA 1 94 CYS HB3 . . 5.150 4.309 4.102 4.471 . 0 0 "[ . 1 . 2]" 1
1737 1 91 GLU HA 1 95 ILE MD . . 5.500 4.055 3.896 4.170 . 0 0 "[ . 1 . 2]" 1
1738 1 91 GLU QB 1 91 GLU QG . . 2.400 2.101 2.038 2.126 . 0 0 "[ . 1 . 2]" 1
1739 1 91 GLU QB 1 92 GLN H . . 2.970 2.607 2.341 2.864 . 0 0 "[ . 1 . 2]" 1
1740 1 91 GLU QB 1 92 GLN HG2 . . 4.120 3.294 2.725 3.818 . 0 0 "[ . 1 . 2]" 1
1741 1 91 GLU QB 1 95 ILE MD . . 5.020 3.964 3.799 4.264 . 0 0 "[ . 1 . 2]" 1
1742 1 91 GLU QG 1 92 GLN H . . 4.290 3.422 2.956 3.956 . 0 0 "[ . 1 . 2]" 1
1743 1 91 GLU QG 1 95 ILE MD . . 3.240 2.212 1.994 2.593 . 0 0 "[ . 1 . 2]" 1
1744 1 92 GLN H 1 92 GLN HB2 . . 2.900 2.512 2.254 2.865 . 0 0 "[ . 1 . 2]" 1
1745 1 92 GLN H 1 92 GLN HB3 . . 3.800 3.591 3.516 3.649 . 0 0 "[ . 1 . 2]" 1
1746 1 92 GLN H 1 92 GLN HG2 . . 3.720 2.210 1.914 2.595 . 0 0 "[ . 1 . 2]" 1
1747 1 92 GLN H 1 92 GLN HG3 . . 3.390 3.332 2.867 3.479 0.089 3 0 "[ . 1 . 2]" 1
1748 1 92 GLN H 1 93 MET H . . 3.460 2.671 2.445 2.880 . 0 0 "[ . 1 . 2]" 1
1749 1 92 GLN H 1 93 MET HA . . 5.500 5.276 5.051 5.457 . 0 0 "[ . 1 . 2]" 1
1750 1 92 GLN H 1 93 MET HG2 . . 5.500 5.704 4.603 6.371 0.871 14 6 "[ .* * *+. *-2]" 1
1751 1 92 GLN H 1 94 CYS H . . 5.110 4.188 3.901 4.389 . 0 0 "[ . 1 . 2]" 1
1752 1 92 GLN H 1 94 CYS HB2 . . 5.480 5.084 4.892 5.559 0.079 8 0 "[ . 1 . 2]" 1
1753 1 92 GLN H 1 95 ILE MD . . 5.080 4.224 3.948 4.760 . 0 0 "[ . 1 . 2]" 1
1754 1 92 GLN HA 1 92 GLN HE21 . . 5.140 2.979 1.973 3.713 . 0 0 "[ . 1 . 2]" 1
1755 1 92 GLN HA 1 92 GLN HE22 . . 5.220 3.871 3.451 4.514 . 0 0 "[ . 1 . 2]" 1
1756 1 92 GLN HA 1 92 GLN HG2 . . 3.640 3.037 2.544 3.503 . 0 0 "[ . 1 . 2]" 1
1757 1 92 GLN HA 1 92 GLN HG3 . . 3.880 3.847 3.692 3.950 0.070 19 0 "[ . 1 . 2]" 1
1758 1 92 GLN HA 1 94 CYS H . . 5.500 4.610 4.368 4.770 . 0 0 "[ . 1 . 2]" 1
1759 1 92 GLN HA 1 95 ILE H . . 4.040 3.576 3.192 3.764 . 0 0 "[ . 1 . 2]" 1
1760 1 92 GLN HA 1 95 ILE HB . . 3.730 2.776 2.421 2.972 . 0 0 "[ . 1 . 2]" 1
1761 1 92 GLN HA 1 95 ILE MD . . 3.420 2.463 2.156 3.071 . 0 0 "[ . 1 . 2]" 1
1762 1 92 GLN HA 1 95 ILE MG . . 4.170 4.116 3.606 4.271 0.101 2 0 "[ . 1 . 2]" 1
1763 1 92 GLN HA 1 96 THR H . . 4.940 4.028 3.770 4.187 . 0 0 "[ . 1 . 2]" 1
1764 1 92 GLN HB2 1 92 GLN HE21 . . 4.370 4.217 3.634 4.453 0.083 16 0 "[ . 1 . 2]" 1
1765 1 92 GLN HB2 1 92 GLN HE22 . . 5.020 5.085 4.944 5.125 0.105 8 0 "[ . 1 . 2]" 1
1766 1 92 GLN HB2 1 92 GLN HG3 . . 2.990 2.260 2.143 2.421 . 0 0 "[ . 1 . 2]" 1
1767 1 92 GLN HB2 1 93 MET H . . 3.640 2.496 2.284 2.718 . 0 0 "[ . 1 . 2]" 1
1768 1 92 GLN HB3 1 92 GLN HE22 . . 4.670 4.122 3.756 4.525 . 0 0 "[ . 1 . 2]" 1
1769 1 92 GLN HB3 1 93 MET H . . 3.760 3.622 3.423 3.827 0.067 20 0 "[ . 1 . 2]" 1
1770 1 92 GLN HB3 1 93 MET HA . . 5.500 4.544 4.270 4.898 . 0 0 "[ . 1 . 2]" 1
1771 1 92 GLN HE21 1 92 GLN HG3 . . 3.430 3.366 2.641 3.515 0.085 19 0 "[ . 1 . 2]" 1
1772 1 92 GLN HE21 1 95 ILE MD . . 4.370 3.308 2.686 4.460 0.090 1 0 "[ . 1 . 2]" 1
1773 1 92 GLN HE22 1 92 GLN HG3 . . 4.030 3.927 3.673 4.089 0.059 17 0 "[ . 1 . 2]" 1
1774 1 92 GLN HE22 1 95 ILE MD . . 3.950 3.838 3.304 4.051 0.101 17 0 "[ . 1 . 2]" 1
1775 1 92 GLN HG2 1 93 MET H . . 4.590 4.245 3.691 4.530 . 0 0 "[ . 1 . 2]" 1
1776 1 92 GLN HG3 1 93 MET H . . 5.060 4.595 4.432 4.893 . 0 0 "[ . 1 . 2]" 1
1777 1 93 MET H 1 93 MET QB . . 3.220 2.346 2.176 2.469 . 0 0 "[ . 1 . 2]" 1
1778 1 93 MET H 1 93 MET ME . . 5.500 4.336 3.740 4.717 . 0 0 "[ . 1 . 2]" 1
1779 1 93 MET H 1 93 MET HG2 . . 3.200 3.242 2.243 3.603 0.403 14 0 "[ . 1 . 2]" 1
1780 1 93 MET H 1 93 MET HG3 . . 3.650 2.204 1.942 2.717 . 0 0 "[ . 1 . 2]" 1
1781 1 93 MET H 1 94 CYS H . . 3.430 2.835 2.695 2.931 . 0 0 "[ . 1 . 2]" 1
1782 1 93 MET HA 1 93 MET HG2 . . 3.860 2.552 2.213 2.824 . 0 0 "[ . 1 . 2]" 1
1783 1 93 MET HA 1 93 MET HG3 . . 3.650 3.074 2.772 3.725 0.075 1 0 "[ . 1 . 2]" 1
1784 1 93 MET HA 1 96 THR H . . 4.780 3.424 3.266 3.651 . 0 0 "[ . 1 . 2]" 1
1785 1 93 MET HA 1 96 THR HB . . 2.400 2.475 2.449 2.490 0.090 14 0 "[ . 1 . 2]" 1
1786 1 93 MET HA 1 96 THR MG . . 5.500 3.792 3.473 4.044 . 0 0 "[ . 1 . 2]" 1
1787 1 93 MET HA 1 97 GLN H . . 5.270 3.895 3.615 4.060 . 0 0 "[ . 1 . 2]" 1
1788 1 93 MET QB 1 93 MET ME . . 2.400 2.159 2.002 2.472 0.072 17 0 "[ . 1 . 2]" 1
1789 1 93 MET QB 1 94 CYS H . . 5.110 2.505 2.427 2.604 . 0 0 "[ . 1 . 2]" 1
1790 1 93 MET QB 1 94 CYS HA . . 3.990 4.011 3.914 4.070 0.080 6 0 "[ . 1 . 2]" 1
1791 1 93 MET QB 1 95 ILE H . . 4.950 4.814 4.746 4.927 . 0 0 "[ . 1 . 2]" 1
1792 1 93 MET QB 1 96 THR H . . 5.500 4.937 4.760 5.120 . 0 0 "[ . 1 . 2]" 1
1793 1 94 CYS H 1 94 CYS HB2 . . 3.810 2.351 2.172 2.454 . 0 0 "[ . 1 . 2]" 1
1794 1 94 CYS H 1 94 CYS HB3 . . 3.770 3.557 3.311 3.636 . 0 0 "[ . 1 . 2]" 1
1795 1 94 CYS H 1 95 ILE H . . 3.700 2.837 2.717 2.891 . 0 0 "[ . 1 . 2]" 1
1796 1 94 CYS H 1 95 ILE HB . . 5.010 4.933 4.691 5.070 0.060 16 0 "[ . 1 . 2]" 1
1797 1 94 CYS H 1 95 ILE HG13 . . 5.450 4.690 4.551 4.813 . 0 0 "[ . 1 . 2]" 1
1798 1 94 CYS H 1 96 THR H . . 4.860 4.290 4.159 4.421 . 0 0 "[ . 1 . 2]" 1
1799 1 94 CYS H 1 97 GLN H . . 5.000 4.731 4.607 4.837 . 0 0 "[ . 1 . 2]" 1
1800 1 94 CYS HA 1 97 GLN H . . 3.690 3.584 3.150 3.763 0.073 4 0 "[ . 1 . 2]" 1
1801 1 94 CYS HA 1 97 GLN HB2 . . 5.500 3.288 2.283 4.257 . 0 0 "[ . 1 . 2]" 1
1802 1 94 CYS HA 1 97 GLN HB3 . . 5.500 3.850 2.825 4.392 . 0 0 "[ . 1 . 2]" 1
1803 1 94 CYS HA 1 98 TYR H . . 4.700 3.865 3.746 3.954 . 0 0 "[ . 1 . 2]" 1
1804 1 94 CYS HB2 1 95 ILE H . . 4.850 2.564 2.413 3.329 . 0 0 "[ . 1 . 2]" 1
1805 1 94 CYS HB3 1 95 ILE H . . 3.680 3.319 3.010 3.447 . 0 0 "[ . 1 . 2]" 1
1806 1 95 ILE H 1 95 ILE HB . . 3.050 2.459 2.264 2.595 . 0 0 "[ . 1 . 2]" 1
1807 1 95 ILE H 1 95 ILE MD . . 4.890 3.328 3.153 3.472 . 0 0 "[ . 1 . 2]" 1
1808 1 95 ILE H 1 95 ILE HG12 . . 3.750 3.627 3.543 3.709 . 0 0 "[ . 1 . 2]" 1
1809 1 95 ILE H 1 95 ILE HG13 . . 3.330 2.227 2.113 2.327 . 0 0 "[ . 1 . 2]" 1
1810 1 95 ILE H 1 95 ILE MG . . 4.330 3.779 3.696 3.825 . 0 0 "[ . 1 . 2]" 1
1811 1 95 ILE H 1 96 THR H . . 2.970 2.850 2.752 2.958 . 0 0 "[ . 1 . 2]" 1
1812 1 95 ILE H 1 97 GLN H . . 4.270 4.320 4.203 4.350 0.080 11 0 "[ . 1 . 2]" 1
1813 1 95 ILE HA 1 95 ILE MD . . 3.800 3.886 3.849 3.909 0.109 2 0 "[ . 1 . 2]" 1
1814 1 95 ILE HA 1 95 ILE HG12 . . 3.910 2.658 2.519 2.795 . 0 0 "[ . 1 . 2]" 1
1815 1 95 ILE HA 1 95 ILE HG13 . . 3.570 2.790 2.706 2.879 . 0 0 "[ . 1 . 2]" 1
1816 1 95 ILE HA 1 95 ILE MG . . 3.200 2.476 2.300 2.653 . 0 0 "[ . 1 . 2]" 1
1817 1 95 ILE HA 1 98 TYR H . . 4.390 3.794 3.568 3.950 . 0 0 "[ . 1 . 2]" 1
1818 1 95 ILE HA 1 98 TYR HB2 . . 4.030 4.062 3.816 4.110 0.080 4 0 "[ . 1 . 2]" 1
1819 1 95 ILE HA 1 98 TYR HB3 . . 5.500 2.829 2.446 3.004 . 0 0 "[ . 1 . 2]" 1
1820 1 95 ILE HB 1 95 ILE MD . . 3.170 2.311 2.253 2.376 . 0 0 "[ . 1 . 2]" 1
1821 1 95 ILE HB 1 96 THR H . . 3.500 2.654 2.491 2.871 . 0 0 "[ . 1 . 2]" 1
1822 1 95 ILE MD 1 95 ILE MG . . 2.400 2.120 2.080 2.157 . 0 0 "[ . 1 . 2]" 1
1823 1 95 ILE MD 1 96 THR H . . 5.500 4.493 4.215 4.713 . 0 0 "[ . 1 . 2]" 1
1824 1 95 ILE HG12 1 95 ILE MG . . 2.750 2.270 2.102 2.404 . 0 0 "[ . 1 . 2]" 1
1825 1 95 ILE HG13 1 95 ILE MG . . 3.680 3.195 3.119 3.242 . 0 0 "[ . 1 . 2]" 1
1826 1 95 ILE MG 1 96 THR H . . 3.920 3.347 2.985 3.712 . 0 0 "[ . 1 . 2]" 1
1827 1 95 ILE MG 1 96 THR HA . . 4.210 3.525 3.115 3.965 . 0 0 "[ . 1 . 2]" 1
1828 1 95 ILE MG 1 98 TYR H . . 5.500 5.100 4.878 5.249 . 0 0 "[ . 1 . 2]" 1
1829 1 95 ILE MG 1 98 TYR HB3 . . 5.500 4.247 3.983 4.459 . 0 0 "[ . 1 . 2]" 1
1830 1 95 ILE MG 1 99 GLN H . . 4.730 4.116 3.880 4.311 . 0 0 "[ . 1 . 2]" 1
1831 1 95 ILE MG 1 99 GLN QE . . 4.250 2.059 1.735 2.543 . 0 0 "[ . 1 . 2]" 1
1832 1 95 ILE MG 1 99 GLN HG2 . . 3.890 4.002 3.039 4.133 0.243 13 0 "[ . 1 . 2]" 1
1833 1 95 ILE MG 1 99 GLN HG3 . . 4.030 2.973 2.687 3.933 . 0 0 "[ . 1 . 2]" 1
1834 1 96 THR H 1 96 THR HB . . 3.270 2.398 2.177 2.582 . 0 0 "[ . 1 . 2]" 1
1835 1 96 THR H 1 96 THR MG . . 4.170 3.720 3.634 3.770 . 0 0 "[ . 1 . 2]" 1
1836 1 96 THR H 1 97 GLN H . . 3.370 2.855 2.695 2.930 . 0 0 "[ . 1 . 2]" 1
1837 1 96 THR H 1 97 GLN HB2 . . 4.850 4.866 4.703 5.301 0.451 14 0 "[ . 1 . 2]" 1
1838 1 96 THR HA 1 96 THR MG . . 3.220 2.486 2.266 2.697 . 0 0 "[ . 1 . 2]" 1
1839 1 96 THR HA 1 99 GLN H . . 4.610 3.644 3.303 3.905 . 0 0 "[ . 1 . 2]" 1
1840 1 96 THR HA 1 99 GLN HB2 . . 3.970 2.673 2.510 3.091 . 0 0 "[ . 1 . 2]" 1
1841 1 96 THR HA 1 99 GLN HB3 . . 4.360 4.082 4.028 4.441 0.081 17 0 "[ . 1 . 2]" 1
1842 1 96 THR HB 1 97 GLN H . . 3.230 2.693 2.434 3.040 . 0 0 "[ . 1 . 2]" 1
1843 1 96 THR MG 1 97 GLN H . . 4.000 3.433 3.078 3.632 . 0 0 "[ . 1 . 2]" 1
1844 1 96 THR MG 1 99 GLN QE . . 5.500 4.411 3.525 5.375 . 0 0 "[ . 1 . 2]" 1
1845 1 96 THR MG 1 100 ARG QD . . 4.170 3.356 2.443 3.827 . 0 0 "[ . 1 . 2]" 1
1846 1 96 THR MG 1 100 ARG HE . . 4.220 3.588 2.573 4.323 0.103 18 0 "[ . 1 . 2]" 1
1847 1 96 THR MG 1 100 ARG QG . . 4.560 3.366 2.742 3.976 . 0 0 "[ . 1 . 2]" 1
1848 1 97 GLN H 1 97 GLN HB2 . . 3.100 2.209 2.089 2.645 . 0 0 "[ . 1 . 2]" 1
1849 1 97 GLN H 1 97 GLN HB3 . . 3.440 3.143 2.202 3.436 . 0 0 "[ . 1 . 2]" 1
1850 1 97 GLN H 1 97 GLN QG . . 4.780 3.498 2.867 4.052 . 0 0 "[ . 1 . 2]" 1
1851 1 97 GLN H 1 98 TYR H . . 3.530 2.625 2.444 2.765 . 0 0 "[ . 1 . 2]" 1
1852 1 97 GLN H 1 98 TYR HA . . 5.220 5.247 5.081 5.302 0.082 8 0 "[ . 1 . 2]" 1
1853 1 97 GLN H 1 98 TYR HB2 . . 4.880 4.903 4.799 4.946 0.066 16 0 "[ . 1 . 2]" 1
1854 1 97 GLN H 1 98 TYR HB3 . . 5.500 4.620 4.030 4.935 . 0 0 "[ . 1 . 2]" 1
1855 1 97 GLN HA 1 100 ARG H . . 4.240 3.516 3.217 3.682 . 0 0 "[ . 1 . 2]" 1
1856 1 97 GLN HA 1 100 ARG HB2 . . 3.820 3.544 3.022 3.893 0.073 4 0 "[ . 1 . 2]" 1
1857 1 97 GLN HA 1 100 ARG HB3 . . 5.250 4.781 4.336 5.103 . 0 0 "[ . 1 . 2]" 1
1858 1 97 GLN HA 1 100 ARG QD . . 4.200 3.959 1.961 4.114 . 0 0 "[ . 1 . 2]" 1
1859 1 97 GLN HA 1 100 ARG QG . . 4.170 2.279 2.017 3.992 . 0 0 "[ . 1 . 2]" 1
1860 1 97 GLN HA 1 101 GLU H . . 5.160 4.652 4.253 5.004 . 0 0 "[ . 1 . 2]" 1
1861 1 97 GLN HB2 1 98 TYR H . . 4.540 3.251 2.747 4.009 . 0 0 "[ . 1 . 2]" 1
1862 1 97 GLN HB3 1 98 TYR H . . 4.100 2.875 2.384 3.097 . 0 0 "[ . 1 . 2]" 1
1863 1 97 GLN HE21 1 98 TYR HA . . 5.080 4.140 3.358 4.567 . 0 0 "[ . 1 . 2]" 1
1864 1 97 GLN HE21 1 98 TYR HB2 . . 5.500 5.498 4.444 5.595 0.095 4 0 "[ . 1 . 2]" 1
1865 1 97 GLN HE21 1 100 ARG QG . . 5.060 4.276 3.575 5.177 0.117 15 0 "[ . 1 . 2]" 1
1866 1 97 GLN HE21 1 101 GLU HB2 . . 5.460 4.584 3.213 5.379 . 0 0 "[ . 1 . 2]" 1
1867 1 97 GLN HE21 1 101 GLU QG . . 4.390 3.083 1.745 4.150 . 0 0 "[ . 1 . 2]" 1
1868 1 97 GLN HE22 1 101 GLU QG . . 4.510 2.954 1.734 3.996 . 0 0 "[ . 1 . 2]" 1
1869 1 98 TYR H 1 98 TYR HB2 . . 3.230 2.403 2.260 2.607 . 0 0 "[ . 1 . 2]" 1
1870 1 98 TYR H 1 98 TYR HB3 . . 3.260 2.372 2.178 2.533 . 0 0 "[ . 1 . 2]" 1
1871 1 98 TYR H 1 98 TYR QD . . 5.050 4.151 4.029 4.189 . 0 0 "[ . 1 . 2]" 1
1872 1 98 TYR H 1 99 GLN H . . 2.940 2.805 2.694 2.968 0.028 7 0 "[ . 1 . 2]" 1
1873 1 98 TYR HA 1 98 TYR HB2 . . 2.720 2.359 2.297 2.408 . 0 0 "[ . 1 . 2]" 1
1874 1 98 TYR HA 1 98 TYR QD . . 3.260 3.081 2.811 3.254 . 0 0 "[ . 1 . 2]" 1
1875 1 98 TYR HA 1 99 GLN H . . 3.610 3.615 3.559 3.665 0.055 5 0 "[ . 1 . 2]" 1
1876 1 98 TYR HA 1 101 GLU H . . 5.080 3.410 3.069 3.600 . 0 0 "[ . 1 . 2]" 1
1877 1 98 TYR HA 1 101 GLU HB2 . . 5.500 2.894 2.454 3.340 . 0 0 "[ . 1 . 2]" 1
1878 1 98 TYR HA 1 101 GLU HB3 . . 5.500 4.548 3.491 5.079 . 0 0 "[ . 1 . 2]" 1
1879 1 98 TYR HB3 1 99 GLN H . . 3.540 2.673 2.458 3.004 . 0 0 "[ . 1 . 2]" 1
1880 1 98 TYR QD 1 99 GLN H . . 3.880 3.334 2.848 3.948 0.068 8 0 "[ . 1 . 2]" 1
1881 1 98 TYR QD 1 99 GLN QE . . 5.500 5.083 3.644 5.393 . 0 0 "[ . 1 . 2]" 1
1882 1 99 GLN H 1 99 GLN HB2 . . 3.540 2.229 2.108 2.740 . 0 0 "[ . 1 . 2]" 1
1883 1 99 GLN H 1 99 GLN HB3 . . 4.040 3.485 3.420 3.703 . 0 0 "[ . 1 . 2]" 1
1884 1 99 GLN H 1 99 GLN QE . . 4.620 3.789 3.109 4.509 . 0 0 "[ . 1 . 2]" 1
1885 1 99 GLN H 1 99 GLN HG2 . . 4.240 3.731 2.254 4.054 . 0 0 "[ . 1 . 2]" 1
1886 1 99 GLN H 1 99 GLN HG3 . . 4.690 2.863 2.504 3.808 . 0 0 "[ . 1 . 2]" 1
1887 1 99 GLN H 1 100 ARG H . . 2.840 2.867 2.761 2.918 0.078 7 0 "[ . 1 . 2]" 1
1888 1 99 GLN H 1 101 GLU H . . 4.680 4.497 4.304 4.737 0.057 12 0 "[ . 1 . 2]" 1
1889 1 99 GLN HA 1 99 GLN HG2 . . 3.920 2.549 2.323 3.198 . 0 0 "[ . 1 . 2]" 1
1890 1 99 GLN HA 1 99 GLN HG3 . . 3.110 2.838 2.449 3.762 0.652 17 2 "[ . - 1 . + 2]" 1
1891 1 99 GLN HA 1 100 ARG HA . . 5.020 4.903 4.799 5.028 0.008 6 0 "[ . 1 . 2]" 1
1892 1 99 GLN HA 1 102 SER H . . 4.000 3.554 3.295 3.727 . 0 0 "[ . 1 . 2]" 1
1893 1 99 GLN HA 1 102 SER HB2 . . 2.760 2.956 2.816 3.022 0.262 2 0 "[ . 1 . 2]" 1
1894 1 99 GLN HA 1 102 SER HB3 . . 2.940 2.489 2.199 2.816 . 0 0 "[ . 1 . 2]" 1
1895 1 99 GLN HA 1 103 GLU H . . 4.740 4.056 3.811 4.786 0.046 14 0 "[ . 1 . 2]" 1
1896 1 99 GLN HB2 1 99 GLN HG3 . . 2.400 2.514 2.452 2.572 0.172 11 0 "[ . 1 . 2]" 1
1897 1 99 GLN HB2 1 100 ARG H . . 3.080 2.738 2.605 2.939 . 0 0 "[ . 1 . 2]" 1
1898 1 99 GLN HB3 1 100 ARG H . . 3.660 3.214 3.141 3.737 0.077 17 0 "[ . 1 . 2]" 1
1899 1 99 GLN HG2 1 100 ARG H . . 5.500 4.948 4.201 5.069 . 0 0 "[ . 1 . 2]" 1
1900 1 100 ARG H 1 100 ARG HB2 . . 2.950 2.825 2.682 2.932 . 0 0 "[ . 1 . 2]" 1
1901 1 100 ARG H 1 100 ARG QD . . 4.360 3.322 2.267 3.944 . 0 0 "[ . 1 . 2]" 1
1902 1 100 ARG H 1 100 ARG QG . . 3.890 2.205 1.985 3.109 . 0 0 "[ . 1 . 2]" 1
1903 1 100 ARG H 1 101 GLU H . . 3.020 2.858 2.585 3.060 0.040 6 0 "[ . 1 . 2]" 1
1904 1 100 ARG H 1 102 SER HB2 . . 5.290 5.323 4.907 5.668 0.378 11 0 "[ . 1 . 2]" 1
1905 1 100 ARG HA 1 100 ARG QD . . 3.940 2.736 2.080 3.548 . 0 0 "[ . 1 . 2]" 1
1906 1 100 ARG HA 1 100 ARG QG . . 3.470 2.924 2.420 3.272 . 0 0 "[ . 1 . 2]" 1
1907 1 100 ARG HA 1 103 GLU H . . 5.500 3.835 3.474 4.133 . 0 0 "[ . 1 . 2]" 1
1908 1 100 ARG HA 1 103 GLU QB . . 3.670 3.387 2.906 3.759 0.089 1 0 "[ . 1 . 2]" 1
1909 1 100 ARG HA 1 104 ALA H . . 5.500 4.332 4.130 4.793 . 0 0 "[ . 1 . 2]" 1
1910 1 100 ARG HB2 1 100 ARG QG . . 2.730 2.195 2.150 2.428 . 0 0 "[ . 1 . 2]" 1
1911 1 100 ARG HB2 1 101 GLU H . . 3.980 2.313 2.068 2.514 . 0 0 "[ . 1 . 2]" 1
1912 1 100 ARG HB2 1 101 GLU HA . . 3.910 3.980 3.951 3.997 0.087 17 0 "[ . 1 . 2]" 1
1913 1 100 ARG HB2 1 101 GLU QG . . 5.500 2.985 2.393 3.757 . 0 0 "[ . 1 . 2]" 1
1914 1 100 ARG HB3 1 100 ARG QD . . 3.130 2.479 2.111 3.101 . 0 0 "[ . 1 . 2]" 1
1915 1 100 ARG HB3 1 101 GLU H . . 3.640 3.542 3.226 3.707 0.067 2 0 "[ . 1 . 2]" 1
1916 1 100 ARG HE 1 100 ARG QG . . 3.440 2.422 2.168 3.033 . 0 0 "[ . 1 . 2]" 1
1917 1 101 GLU H 1 101 GLU HB2 . . 3.440 2.330 1.951 2.530 . 0 0 "[ . 1 . 2]" 1
1918 1 101 GLU H 1 101 GLU HB3 . . 3.930 3.537 3.259 3.611 . 0 0 "[ . 1 . 2]" 1
1919 1 101 GLU H 1 101 GLU QG . . 3.340 2.489 2.105 3.028 . 0 0 "[ . 1 . 2]" 1
1920 1 101 GLU H 1 104 ALA MB . . 5.500 4.423 4.223 4.559 . 0 0 "[ . 1 . 2]" 1
1921 1 101 GLU HA 1 101 GLU QG . . 3.850 2.242 1.992 2.724 . 0 0 "[ . 1 . 2]" 1
1922 1 101 GLU HA 1 104 ALA H . . 4.270 2.969 2.686 3.286 . 0 0 "[ . 1 . 2]" 1
1923 1 101 GLU HA 1 104 ALA MB . . 3.760 2.130 1.944 2.318 . 0 0 "[ . 1 . 2]" 1
1924 1 101 GLU HB2 1 102 SER H . . 3.990 2.733 2.557 2.967 . 0 0 "[ . 1 . 2]" 1
1925 1 101 GLU HB2 1 102 SER HA . . 5.500 4.574 4.351 5.076 . 0 0 "[ . 1 . 2]" 1
1926 1 101 GLU HB3 1 102 SER H . . 3.600 3.547 2.965 3.679 0.079 4 0 "[ . 1 . 2]" 1
1927 1 101 GLU QG 1 102 SER H . . 4.630 4.107 3.886 4.433 . 0 0 "[ . 1 . 2]" 1
1928 1 101 GLU QG 1 104 ALA H . . 5.220 4.890 4.667 5.071 . 0 0 "[ . 1 . 2]" 1
1929 1 102 SER H 1 102 SER HB2 . . 3.240 2.337 2.178 2.549 . 0 0 "[ . 1 . 2]" 1
1930 1 102 SER H 1 102 SER HB3 . . 3.480 2.742 2.494 2.997 . 0 0 "[ . 1 . 2]" 1
1931 1 102 SER H 1 103 GLU H . . 3.170 2.778 2.716 2.930 . 0 0 "[ . 1 . 2]" 1
1932 1 102 SER H 1 103 GLU HA . . 5.500 5.395 5.306 5.470 . 0 0 "[ . 1 . 2]" 1
1933 1 102 SER H 1 103 GLU QB . . 5.020 4.761 4.559 4.945 . 0 0 "[ . 1 . 2]" 1
1934 1 102 SER H 1 104 ALA H . . 5.500 4.002 3.843 4.219 . 0 0 "[ . 1 . 2]" 1
1935 1 102 SER HA 1 105 TYR H . . 4.540 3.617 3.272 3.831 . 0 0 "[ . 1 . 2]" 1
1936 1 102 SER HA 1 105 TYR HB2 . . 4.170 4.044 3.568 4.234 0.064 20 0 "[ . 1 . 2]" 1
1937 1 102 SER HA 1 105 TYR HB3 . . 3.900 2.751 2.230 2.952 . 0 0 "[ . 1 . 2]" 1
1938 1 102 SER HA 1 105 TYR QD . . 4.610 3.526 2.874 3.929 . 0 0 "[ . 1 . 2]" 1
1939 1 102 SER HA 1 106 TYR H . . 5.500 5.208 4.838 5.556 0.056 10 0 "[ . 1 . 2]" 1
1940 1 102 SER HB2 1 103 GLU H . . 3.830 3.819 3.595 4.027 0.197 8 0 "[ . 1 . 2]" 1
1941 1 102 SER HB3 1 103 GLU H . . 3.970 2.707 2.452 3.127 . 0 0 "[ . 1 . 2]" 1
1942 1 103 GLU H 1 103 GLU QB . . 2.770 2.340 2.114 2.508 . 0 0 "[ . 1 . 2]" 1
1943 1 103 GLU H 1 103 GLU HG2 . . 3.310 3.284 2.633 3.891 0.581 10 2 "[ . - + . 2]" 1
1944 1 103 GLU H 1 103 GLU HG3 . . 3.860 2.970 2.448 3.953 0.093 14 0 "[ . 1 . 2]" 1
1945 1 103 GLU H 1 104 ALA H . . 2.480 2.502 2.352 2.553 0.073 17 0 "[ . 1 . 2]" 1
1946 1 103 GLU H 1 104 ALA MB . . 4.560 4.204 4.069 4.291 . 0 0 "[ . 1 . 2]" 1
1947 1 103 GLU HA 1 103 GLU HG2 . . 3.640 2.552 2.138 3.735 0.095 13 0 "[ . 1 . 2]" 1
1948 1 103 GLU HA 1 103 GLU HG3 . . 3.450 3.243 2.661 3.651 0.201 17 0 "[ . 1 . 2]" 1
1949 1 103 GLU HA 1 105 TYR H . . 5.500 4.023 3.728 4.283 . 0 0 "[ . 1 . 2]" 1
1950 1 103 GLU HA 1 106 TYR H . . 4.060 3.554 3.255 3.918 . 0 0 "[ . 1 . 2]" 1
1951 1 103 GLU HA 1 106 TYR HB2 . . 4.250 3.765 2.840 4.323 0.073 3 0 "[ . 1 . 2]" 1
1952 1 103 GLU HA 1 106 TYR HB3 . . 3.640 2.898 2.642 3.182 . 0 0 "[ . 1 . 2]" 1
1953 1 103 GLU HA 1 106 TYR QD . . 4.660 4.164 3.722 4.722 0.062 12 0 "[ . 1 . 2]" 1
1954 1 103 GLU HA 1 107 GLN H . . 3.640 3.477 3.166 3.715 0.075 11 0 "[ . 1 . 2]" 1
1955 1 103 GLU HA 1 107 GLN QG . . 5.490 4.519 3.695 4.969 . 0 0 "[ . 1 . 2]" 1
1956 1 103 GLU QB 1 104 ALA H . . 3.290 2.818 2.383 3.376 0.086 13 0 "[ . 1 . 2]" 1
1957 1 103 GLU QB 1 104 ALA HA . . 4.740 4.130 3.750 4.819 0.079 13 0 "[ . 1 . 2]" 1
1958 1 103 GLU QB 1 105 TYR H . . 5.500 4.708 4.479 5.137 . 0 0 "[ . 1 . 2]" 1
1959 1 103 GLU QB 1 106 TYR QD . . 5.500 5.059 4.476 5.524 0.024 17 0 "[ . 1 . 2]" 1
1960 1 103 GLU QB 1 107 GLN HA . . 5.140 4.423 3.860 5.199 0.059 11 0 "[ . 1 . 2]" 1
1961 1 103 GLU QB 1 107 GLN QG . . 4.590 4.136 2.721 4.710 0.120 12 0 "[ . 1 . 2]" 1
1962 1 104 ALA H 1 104 ALA HA . . 2.900 2.834 2.737 2.918 0.018 16 0 "[ . 1 . 2]" 1
1963 1 104 ALA H 1 104 ALA MB . . 2.860 2.236 2.169 2.276 . 0 0 "[ . 1 . 2]" 1
1964 1 104 ALA H 1 105 TYR H . . 3.330 2.799 2.563 2.972 . 0 0 "[ . 1 . 2]" 1
1965 1 104 ALA H 1 105 TYR HA . . 5.500 5.424 5.274 5.560 0.060 18 0 "[ . 1 . 2]" 1
1966 1 104 ALA H 1 106 TYR H . . 5.500 4.153 3.905 4.345 . 0 0 "[ . 1 . 2]" 1
1967 1 104 ALA HA 1 107 GLN H . . 4.540 4.017 3.708 4.557 0.017 9 0 "[ . 1 . 2]" 1
1968 1 104 ALA HA 1 107 GLN QB . . 4.150 3.483 2.377 3.975 . 0 0 "[ . 1 . 2]" 1
1969 1 104 ALA HA 1 107 GLN HE22 . . 5.500 4.500 3.195 5.585 0.085 5 0 "[ . 1 . 2]" 1
1970 1 104 ALA HA 1 107 GLN QG . . 3.690 2.105 1.939 2.510 . 0 0 "[ . 1 . 2]" 1
1971 1 104 ALA MB 1 105 TYR H . . 3.460 2.972 2.735 3.320 . 0 0 "[ . 1 . 2]" 1
1972 1 104 ALA MB 1 105 TYR HA . . 4.600 4.079 3.851 4.285 . 0 0 "[ . 1 . 2]" 1
1973 1 104 ALA MB 1 106 TYR H . . 4.710 4.367 4.231 4.522 . 0 0 "[ . 1 . 2]" 1
1974 1 104 ALA MB 1 107 GLN HE21 . . 5.500 4.363 2.901 5.550 0.050 3 0 "[ . 1 . 2]" 1
1975 1 105 TYR H 1 105 TYR HB2 . . 3.130 2.990 2.772 3.144 0.014 17 0 "[ . 1 . 2]" 1
1976 1 105 TYR H 1 105 TYR HB3 . . 2.980 2.009 1.906 2.078 . 0 0 "[ . 1 . 2]" 1
1977 1 105 TYR H 1 105 TYR QD . . 3.520 3.580 3.466 3.621 0.101 15 0 "[ . 1 . 2]" 1
1978 1 105 TYR H 1 106 TYR H . . 2.400 2.460 2.294 2.491 0.091 20 0 "[ . 1 . 2]" 1
1979 1 105 TYR HA 1 105 TYR QD . . 3.330 3.266 3.065 3.417 0.087 11 0 "[ . 1 . 2]" 1
1980 1 105 TYR HA 1 106 TYR H . . 3.530 3.441 3.367 3.525 . 0 0 "[ . 1 . 2]" 1
1981 1 105 TYR HB3 1 106 TYR H . . 3.440 3.399 3.254 3.511 0.071 11 0 "[ . 1 . 2]" 1
1982 1 105 TYR HB3 1 106 TYR HB2 . . 4.580 4.168 3.902 4.382 . 0 0 "[ . 1 . 2]" 1
1983 1 105 TYR QD 1 106 TYR H . . 4.570 3.439 3.035 3.764 . 0 0 "[ . 1 . 2]" 1
1984 1 105 TYR QD 1 106 TYR HA . . 5.500 3.898 3.386 4.343 . 0 0 "[ . 1 . 2]" 1
1985 1 105 TYR QD 1 106 TYR QD . . 4.510 3.968 2.913 4.595 0.085 1 0 "[ . 1 . 2]" 1
1986 1 106 TYR H 1 106 TYR HB2 . . 3.440 2.729 2.431 3.072 . 0 0 "[ . 1 . 2]" 1
1987 1 106 TYR H 1 106 TYR HB3 . . 2.920 2.486 2.346 2.646 . 0 0 "[ . 1 . 2]" 1
1988 1 106 TYR H 1 106 TYR QD . . 4.140 4.220 4.181 4.236 0.096 8 0 "[ . 1 . 2]" 1
1989 1 106 TYR H 1 107 GLN H . . 2.580 2.351 2.187 2.592 0.012 9 0 "[ . 1 . 2]" 1
1990 1 106 TYR H 1 107 GLN QB . . 4.870 4.126 3.632 4.396 . 0 0 "[ . 1 . 2]" 1
1991 1 106 TYR HA 1 106 TYR QD . . 3.160 2.511 2.166 3.089 . 0 0 "[ . 1 . 2]" 1
1992 1 106 TYR HA 1 108 ARG H . . 5.500 4.753 4.009 5.328 . 0 0 "[ . 1 . 2]" 1
1993 1 106 TYR HB2 1 107 GLN H . . 3.410 3.452 3.308 3.491 0.081 20 0 "[ . 1 . 2]" 1
1994 1 106 TYR HB2 1 107 GLN QG . . 5.230 5.037 4.762 5.314 0.084 6 0 "[ . 1 . 2]" 1
1995 1 106 TYR HB3 1 107 GLN H . . 3.280 1.986 1.814 2.102 . 0 0 "[ . 1 . 2]" 1
1996 1 106 TYR HB3 1 107 GLN QG . . 3.920 4.006 3.907 4.030 0.110 7 0 "[ . 1 . 2]" 1
1997 1 106 TYR HB3 1 108 ARG H . . 4.050 4.005 3.505 4.129 0.079 4 0 "[ . 1 . 2]" 1
1998 1 106 TYR QD 1 107 GLN H . . 5.500 3.187 2.669 3.611 . 0 0 "[ . 1 . 2]" 1
1999 1 106 TYR QD 1 107 GLN HA . . 4.060 3.700 2.977 4.144 0.084 2 0 "[ . 1 . 2]" 1
2000 1 106 TYR QD 1 107 GLN QG . . 5.500 4.964 4.562 5.266 . 0 0 "[ . 1 . 2]" 1
2001 1 106 TYR QE 1 108 ARG QD . . 5.500 4.167 2.403 5.234 . 0 0 "[ . 1 . 2]" 1
2002 1 107 GLN H 1 107 GLN HA . . 2.870 2.305 2.244 2.337 . 0 0 "[ . 1 . 2]" 1
2003 1 107 GLN H 1 107 GLN QB . . 3.350 2.883 2.542 3.189 . 0 0 "[ . 1 . 2]" 1
2004 1 107 GLN H 1 107 GLN QG . . 3.040 2.395 2.213 2.660 . 0 0 "[ . 1 . 2]" 1
2005 1 107 GLN H 1 108 ARG H . . 3.440 3.375 3.005 3.514 0.074 19 0 "[ . 1 . 2]" 1
2006 1 107 GLN HA 1 107 GLN QG . . 3.400 2.913 2.218 3.432 0.032 9 0 "[ . 1 . 2]" 1
2007 1 107 GLN HA 1 108 ARG H . . 3.510 2.498 2.106 3.019 . 0 0 "[ . 1 . 2]" 1
2008 1 107 GLN HA 1 109 GLY H . . 5.180 3.790 3.011 4.636 . 0 0 "[ . 1 . 2]" 1
2009 1 107 GLN HA 1 110 ALA MB . . 4.890 4.238 2.901 4.960 0.070 7 0 "[ . 1 . 2]" 1
2010 1 107 GLN QB 1 108 ARG H . . 4.300 3.926 3.712 3.990 . 0 0 "[ . 1 . 2]" 1
2011 1 107 GLN QG 1 108 ARG H . . 4.650 4.527 3.985 4.745 0.095 11 0 "[ . 1 . 2]" 1
2012 1 108 ARG H 1 108 ARG QB . . 3.530 2.188 2.017 2.594 . 0 0 "[ . 1 . 2]" 1
2013 1 108 ARG H 1 108 ARG QD . . 4.840 4.181 3.273 4.720 . 0 0 "[ . 1 . 2]" 1
2014 1 108 ARG H 1 108 ARG QG . . 3.690 3.371 1.949 3.804 0.114 13 0 "[ . 1 . 2]" 1
2015 1 108 ARG H 1 109 GLY H . . 3.840 2.838 2.446 3.896 0.056 7 0 "[ . 1 . 2]" 1
2016 1 108 ARG H 1 110 ALA MB . . 5.500 4.501 3.903 5.579 0.079 7 0 "[ . 1 . 2]" 1
2017 1 108 ARG HA 1 108 ARG QD . . 3.370 2.455 1.988 3.470 0.100 11 0 "[ . 1 . 2]" 1
2018 1 108 ARG HA 1 108 ARG QG . . 3.630 2.960 2.167 3.259 . 0 0 "[ . 1 . 2]" 1
2019 1 108 ARG HA 1 109 GLY QA . . 4.940 4.272 4.205 4.397 . 0 0 "[ . 1 . 2]" 1
2020 1 108 ARG HA 1 110 ALA H . . 5.210 5.234 4.979 5.296 0.086 1 0 "[ . 1 . 2]" 1
2021 1 108 ARG QB 1 108 ARG HE . . 4.520 3.714 2.202 4.147 . 0 0 "[ . 1 . 2]" 1
2022 1 108 ARG QB 1 108 ARG QG . . 2.400 1.981 1.941 2.061 . 0 0 "[ . 1 . 2]" 1
2023 1 108 ARG QB 1 109 GLY H . . 4.250 2.625 2.010 3.171 . 0 0 "[ . 1 . 2]" 1
2024 1 108 ARG QB 1 110 ALA MB . . 5.010 4.405 3.457 4.912 . 0 0 "[ . 1 . 2]" 1
2025 1 108 ARG QG 1 109 GLY H . . 4.910 3.660 2.711 4.578 . 0 0 "[ . 1 . 2]" 1
2026 1 108 ARG QG 1 110 ALA H . . 5.110 4.862 3.099 5.216 0.106 19 0 "[ . 1 . 2]" 1
2027 1 109 GLY H 1 110 ALA H . . 3.800 1.935 1.642 2.398 . 0 0 "[ . 1 . 2]" 1
2028 1 109 GLY H 1 110 ALA HA . . 3.840 3.913 3.868 3.929 0.089 19 0 "[ . 1 . 2]" 1
2029 1 109 GLY H 1 110 ALA MB . . 5.070 3.445 3.236 3.633 . 0 0 "[ . 1 . 2]" 1
2030 1 109 GLY QA 1 110 ALA HA . . 4.700 4.246 4.127 4.549 . 0 0 "[ . 1 . 2]" 1
2031 1 110 ALA H 1 110 ALA MB . . 3.580 2.380 2.183 2.960 . 0 0 "[ . 1 . 2]" 1
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