NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407010 |
1xyu   |
6381 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyu
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 1894
_Distance_constraint_stats_list.Viol_count 4905
_Distance_constraint_stats_list.Viol_total 11577.057
_Distance_constraint_stats_list.Viol_max 3.780
_Distance_constraint_stats_list.Viol_rms 0.0836
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.1180
_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 2.619 0.091 6 0 "[ . 1 . 2]"
1 2 VAL 2.850 0.098 19 0 "[ . 1 . 2]"
1 3 GLY 1.646 0.098 19 0 "[ . 1 . 2]"
1 4 GLY 2.339 0.099 19 0 "[ . 1 . 2]"
1 5 LEU 19.352 2.245 17 12 "[** -** *** ** * + 2]"
1 6 GLY 7.331 0.485 13 0 "[ . 1 . 2]"
1 7 GLY 6.198 0.485 13 0 "[ . 1 . 2]"
1 8 TYR 6.108 0.185 3 0 "[ . 1 . 2]"
1 9 MET 9.990 0.931 16 8 "[ *-.* **1* .+ *2]"
1 10 LEU 3.361 0.543 12 1 "[ . 1 + . 2]"
1 11 GLY 2.298 0.458 16 0 "[ . 1 . 2]"
1 12 SER 11.049 0.661 12 3 "[ * . * 1 + . 2]"
1 13 ALA 16.853 0.848 11 4 "[ * . * 1+- . 2]"
1 14 MET 10.809 0.652 20 7 "[ * . -* *** +]"
1 15 SER 4.584 0.410 13 0 "[ . 1 . 2]"
1 16 ARG 11.080 1.245 3 5 "[ + . -1 * . **]"
1 17 PRO 6.836 0.269 8 0 "[ . 1 . 2]"
1 18 LEU 13.309 0.446 13 0 "[ . 1 . 2]"
1 19 ILE 54.457 1.537 9 19 "[******* +****-******]"
1 20 HIS 2.285 0.104 17 0 "[ . 1 . 2]"
1 21 PHE 7.872 0.136 5 0 "[ . 1 . 2]"
1 22 GLY 0.318 0.084 17 0 "[ . 1 . 2]"
1 23 ASN 5.882 0.319 7 0 "[ . 1 . 2]"
1 24 ASP 12.944 0.584 7 2 "[ . + 1 . - 2]"
1 25 TYR 4.908 0.231 6 0 "[ . 1 . 2]"
1 26 GLU 4.013 0.231 6 0 "[ . 1 . 2]"
1 27 ASP 12.748 0.584 7 2 "[ . + 1 . - 2]"
1 28 ARG 9.454 0.400 2 0 "[ . 1 . 2]"
1 29 TYR 6.219 0.729 8 3 "[* . + 1 - 2]"
1 30 TYR 14.133 0.757 6 3 "[ *.+ *1 . 2]"
1 31 ARG 8.256 0.474 10 0 "[ . 1 . 2]"
1 32 GLU 2.768 0.924 15 1 "[ . 1 + 2]"
1 33 ASN 8.432 0.967 6 4 "[ -.+ *1 * 2]"
1 34 MET 27.783 0.967 6 3 "[ *.+ *1 . 2]"
1 35 TYR 6.656 0.128 6 0 "[ . 1 . 2]"
1 36 ARG 16.249 0.662 4 2 "[ +. - . 2]"
1 37 TYR 15.254 0.486 4 0 "[ . 1 . 2]"
1 38 PRO 3.183 0.109 12 0 "[ . 1 . 2]"
1 39 ASN 6.977 0.652 20 7 "[ * . -* *** +]"
1 40 GLN 14.389 0.848 11 2 "[ . 1+- . 2]"
1 41 VAL 4.493 0.301 13 0 "[ . 1 . 2]"
1 42 TYR 3.512 0.101 13 0 "[ . 1 . 2]"
1 43 TYR 9.485 0.931 16 8 "[ *-.* **1* .+ *2]"
1 44 ARG 5.121 0.704 13 1 "[ . 1 + . 2]"
1 45 PRO 0.404 0.086 20 0 "[ . 1 . 2]"
1 46 VAL 0.075 0.029 3 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 1.222 0.133 16 0 "[ . 1 . 2]"
1 49 TYR 3.235 0.457 10 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 6.105 1.000 5 5 "[ +- *1 * . *2]"
1 52 GLN 20.341 1.000 5 10 "[ * +* *1* *-** *2]"
1 53 ASN 1.150 0.278 5 0 "[ . 1 . 2]"
1 54 ASN 3.741 0.457 10 0 "[ . 1 . 2]"
1 55 PHE 7.355 0.460 10 0 "[ . 1 . 2]"
1 56 VAL 9.474 0.390 16 0 "[ . 1 . 2]"
1 57 HIS 1.658 0.099 4 0 "[ . 1 . 2]"
1 58 ASP 2.606 0.154 12 0 "[ . 1 . 2]"
1 59 CYS 2.628 0.121 7 0 "[ . 1 . 2]"
1 60 VAL 7.878 0.117 4 0 "[ . 1 . 2]"
1 61 ASN 4.069 0.104 15 0 "[ . 1 . 2]"
1 62 ILE 12.749 0.134 7 0 "[ . 1 . 2]"
1 63 THR 7.065 0.137 4 0 "[ . 1 . 2]"
1 64 VAL 4.454 0.107 10 0 "[ . 1 . 2]"
1 65 LYS 12.979 0.302 19 0 "[ . 1 . 2]"
1 66 GLN 21.109 2.245 17 12 "[** -** *** ** * + 2]"
1 67 HIS 8.694 1.177 18 7 "[ *. *-1* * *+ 2]"
1 68 THR 15.032 1.325 13 8 "[ *. *-1 +** ** 2]"
1 69 VAL 3.481 0.259 18 0 "[ . 1 . 2]"
1 70 THR 5.515 1.110 11 1 "[ . 1+ . 2]"
1 71 THR 11.259 1.325 13 3 "[ . 1 +-* 2]"
1 72 THR 4.223 0.116 18 0 "[ . 1 . 2]"
1 73 THR 3.535 0.115 11 0 "[ . 1 . 2]"
1 74 LYS 7.591 0.115 11 0 "[ . 1 . 2]"
1 75 GLY 0.773 0.083 14 0 "[ . 1 . 2]"
1 76 GLU 16.299 0.951 13 14 "[****** *1* +*** -*2]"
1 77 ASN 59.066 3.780 9 19 "[******* +***-*******]"
1 78 PHE 54.018 3.780 9 16 "[*** . * +***-*******]"
1 79 THR 2.683 0.277 5 0 "[ . 1 . 2]"
1 80 GLU 10.646 0.440 6 0 "[ . 1 . 2]"
1 81 THR 5.720 0.479 1 0 "[ . 1 . 2]"
1 82 ASP 3.146 0.110 8 0 "[ . 1 . 2]"
1 83 ILE 10.514 0.146 3 0 "[ . 1 . 2]"
1 84 LYS 12.751 0.479 1 0 "[ . 1 . 2]"
1 85 ILE 45.935 1.537 9 20 [********+*****-*****]
1 86 MET 11.441 0.418 7 0 "[ . 1 . 2]"
1 87 GLU 3.310 0.169 15 0 "[ . 1 . 2]"
1 88 ARG 26.628 0.909 17 10 "[* . *** *-. +***]"
1 89 VAL 21.483 1.245 3 6 "[ + - *1 * . **]"
1 90 VAL 14.846 0.448 12 0 "[ . 1 . 2]"
1 91 GLU 3.924 0.100 15 0 "[ . 1 . 2]"
1 92 GLN 10.087 0.236 20 0 "[ . 1 . 2]"
1 93 MET 18.749 0.269 8 0 "[ . 1 . 2]"
1 94 CYS 10.038 0.488 12 0 "[ . 1 . 2]"
1 95 ILE 16.457 0.828 2 9 "[ + ** *1* **- *2]"
1 96 THR 9.164 0.704 18 1 "[ . 1 . + 2]"
1 97 GLN 8.006 0.589 18 1 "[ . 1 . + 2]"
1 98 TYR 9.394 0.629 16 2 "[ . 1 -.+ 2]"
1 99 GLN 9.669 0.583 17 5 "[ *- 1 *. +* 2]"
1 100 ARG 12.740 0.704 18 2 "[ . 1 . -+ 2]"
1 101 GLU 0.782 0.087 5 0 "[ . 1 . 2]"
1 102 SER 4.693 0.550 18 4 "[ *- 1 *. + 2]"
1 103 GLN 4.649 0.616 13 3 "[ . 1 + .-* 2]"
1 104 ALA 4.963 0.156 17 0 "[ . 1 . 2]"
1 105 TYR 5.746 0.121 9 0 "[ . 1 . 2]"
1 106 TYR 10.841 0.616 13 3 "[ . 1 + .-* 2]"
1 107 GLN 5.995 0.156 17 0 "[ . 1 . 2]"
1 108 ARG 2.096 0.192 15 0 "[ . 1 . 2]"
1 109 GLY 1.315 0.080 1 0 "[ . 1 . 2]"
1 110 ALA 0.293 0.071 16 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HB . . 3.640 3.578 2.605 3.731 0.091 6 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL QG . . 3.660 2.236 1.815 3.018 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL H1 1 2 VAL HA . . 5.350 5.066 3.967 5.437 0.087 16 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL QG . . 3.250 2.296 2.159 2.520 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 2 VAL H . . 3.410 2.374 1.862 3.486 0.076 15 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 3 GLY H . . 5.500 5.091 4.345 5.590 0.090 14 0 "[ . 1 . 2]" 1
7 1 1 VAL HB 1 2 VAL H . . 3.470 3.056 1.899 3.551 0.081 6 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 2 VAL H . . 3.990 3.265 2.199 3.723 . 0 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 2 VAL HA . . 5.490 4.212 3.394 4.616 . 0 0 "[ . 1 . 2]" 1
10 1 1 VAL QG 1 3 GLY H . . 5.500 3.793 2.475 4.962 . 0 0 "[ . 1 . 2]" 1
11 1 1 VAL QG 1 3 GLY QA . . 4.260 3.906 2.759 4.298 0.038 16 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 2 VAL HB . . 3.780 3.415 2.005 3.862 0.082 19 0 "[ . 1 . 2]" 1
13 1 2 VAL H 1 2 VAL QG . . 3.250 2.004 1.713 2.897 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL H 1 3 GLY H . . 4.310 3.924 3.348 4.385 0.075 16 0 "[ . 1 . 2]" 1
15 1 2 VAL H 1 9 MET HA . . 5.080 4.838 4.026 5.176 0.096 1 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 2 VAL QG . . 3.240 2.199 2.009 2.298 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 3 GLY H . . 2.880 2.410 2.039 2.978 0.098 19 0 "[ . 1 . 2]" 1
18 1 2 VAL HA 1 4 GLY H . . 4.770 4.411 3.225 4.843 0.073 19 0 "[ . 1 . 2]" 1
19 1 2 VAL HB 1 3 GLY H . . 4.590 3.882 1.787 4.598 0.008 7 0 "[ . 1 . 2]" 1
20 1 2 VAL HB 1 5 LEU H . . 5.500 3.613 2.458 4.764 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL HB 1 5 LEU QD . . 5.500 3.601 2.209 4.941 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL QG 1 3 GLY H . . 4.180 3.393 1.800 3.811 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL QG 1 3 GLY QA . . 5.430 3.966 3.346 4.139 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL QG 1 4 GLY H . . 4.400 3.778 2.509 4.252 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL QG 1 5 LEU H . . 5.500 3.302 1.775 4.173 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL QG 1 5 LEU HB2 . . 5.500 2.656 1.997 3.710 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL QG 1 5 LEU HB3 . . 5.500 3.765 2.917 4.971 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL QG 1 8 TYR HB3 . . 5.500 4.013 2.870 5.176 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL QG 1 8 TYR QD . . 5.500 4.500 2.977 5.443 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL QG 1 9 MET HA . . 5.180 2.663 1.973 4.119 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL QG 1 10 LEU H . . 5.390 3.524 2.295 4.494 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLY H 1 4 GLY H . . 3.790 3.509 2.551 3.875 0.085 15 0 "[ . 1 . 2]" 1
33 1 4 GLY H 1 4 GLY QA . . 2.700 2.434 2.195 2.548 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLY H 1 5 LEU H . . 2.400 2.207 1.666 2.482 0.082 14 0 "[ . 1 . 2]" 1
35 1 4 GLY QA 1 5 LEU H . . 2.790 2.720 2.410 2.889 0.099 19 0 "[ . 1 . 2]" 1
36 1 4 GLY QA 1 5 LEU HA . . 4.120 4.092 3.936 4.182 0.062 6 0 "[ . 1 . 2]" 1
37 1 4 GLY QA 1 5 LEU QD . . 5.500 3.710 2.675 4.627 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY QA 1 5 LEU HG . . 5.500 4.398 3.401 5.170 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 5 LEU HB2 . . 3.410 2.478 2.294 2.697 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU H 1 5 LEU HB3 . . 3.800 3.640 3.416 3.826 0.026 8 0 "[ . 1 . 2]" 1
41 1 5 LEU H 1 5 LEU QD . . 4.340 2.949 1.709 3.627 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU H 1 5 LEU HG . . 3.120 2.874 2.320 3.213 0.093 11 0 "[ . 1 . 2]" 1
43 1 5 LEU H 1 6 GLY H . . 3.360 2.554 1.961 2.897 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU H 1 66 GLN QE . . 5.500 6.039 4.456 7.745 2.245 17 12 "[** -** *** ** * + 2]" 1
45 1 5 LEU HA 1 5 LEU QD . . 3.140 2.124 2.001 2.274 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 5 LEU HG . . 3.590 3.219 2.603 3.675 0.085 11 0 "[ . 1 . 2]" 1
47 1 5 LEU HA 1 6 GLY H . . 3.590 3.537 3.369 3.622 0.032 20 0 "[ . 1 . 2]" 1
48 1 5 LEU HA 1 8 TYR H . . 5.410 5.074 4.501 5.494 0.084 16 0 "[ . 1 . 2]" 1
49 1 5 LEU HA 1 8 TYR QD . . 4.170 4.029 3.308 4.243 0.073 2 0 "[ . 1 . 2]" 1
50 1 5 LEU HB2 1 5 LEU HG . . 2.560 2.412 2.183 2.630 0.070 1 0 "[ . 1 . 2]" 1
51 1 5 LEU HB2 1 6 GLY H . . 4.310 2.709 2.071 3.078 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HB2 1 8 TYR H . . 5.200 3.522 2.852 4.490 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HB2 1 8 TYR QD . . 4.710 3.623 2.952 4.141 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HB3 1 5 LEU QD . . 3.210 2.114 2.023 2.241 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU HB3 1 5 LEU HG . . 3.010 2.952 2.483 3.049 0.039 3 0 "[ . 1 . 2]" 1
56 1 5 LEU HB3 1 6 GLY H . . 4.430 3.573 2.938 3.944 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HB3 1 8 TYR H . . 4.690 3.168 2.472 4.037 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU QD 1 6 GLY H . . 4.570 4.116 3.718 4.262 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU QD 1 8 TYR HB2 . . 4.780 2.396 2.034 2.987 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU QD 1 8 TYR HB3 . . 4.760 3.089 2.650 3.689 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU QD 1 8 TYR QD . . 4.680 2.958 2.253 3.522 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU QD 1 8 TYR QE . . 5.210 3.882 2.970 4.498 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU QD 1 42 TYR QD . . 4.840 3.092 2.293 3.772 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU QD 1 62 ILE MD . . 2.580 2.548 2.128 2.684 0.104 9 0 "[ . 1 . 2]" 1
65 1 5 LEU QD 1 62 ILE MG . . 3.900 2.164 1.980 2.638 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU QD 1 66 GLN HB2 . . 4.620 3.630 3.104 4.088 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU QD 1 66 GLN QE . . 4.100 3.169 2.184 3.639 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU QD 1 66 GLN HG2 . . 4.660 2.291 1.954 2.878 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU QD 1 66 GLN HG3 . . 3.300 2.128 1.888 2.395 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU HG 1 6 GLY H . . 4.630 4.570 4.111 4.703 0.073 15 0 "[ . 1 . 2]" 1
71 1 6 GLY H 1 6 GLY HA2 . . 2.850 2.367 2.250 2.559 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLY H 1 7 GLY H . . 3.470 3.114 2.207 3.556 0.086 10 0 "[ . 1 . 2]" 1
73 1 6 GLY H 1 8 TYR H . . 4.680 4.124 3.536 4.744 0.064 5 0 "[ . 1 . 2]" 1
74 1 6 GLY H 1 8 TYR QD . . 5.110 4.660 3.777 5.198 0.088 11 0 "[ . 1 . 2]" 1
75 1 6 GLY HA2 1 7 GLY H . . 3.130 3.292 2.509 3.615 0.485 13 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 8 TYR H . . 3.360 2.354 1.797 2.888 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 8 TYR QD . . 4.660 3.366 2.250 4.392 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA3 1 8 TYR H . . 3.590 3.150 2.462 3.690 0.100 8 0 "[ . 1 . 2]" 1
79 1 8 TYR H 1 8 TYR HB2 . . 3.350 2.339 2.221 2.676 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR H 1 8 TYR HB3 . . 3.430 3.507 3.497 3.516 0.086 8 0 "[ . 1 . 2]" 1
81 1 8 TYR H 1 8 TYR QD . . 3.390 2.318 2.025 2.633 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR H 1 8 TYR QE . . 4.850 4.353 3.676 4.905 0.055 16 0 "[ . 1 . 2]" 1
83 1 8 TYR H 1 9 MET H . . 4.810 4.494 4.332 4.607 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR HA 1 8 TYR QD . . 3.810 2.969 2.684 3.195 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR HA 1 9 MET H . . 3.150 2.359 2.084 2.634 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR HA 1 44 ARG HA . . 3.280 2.671 2.079 3.338 0.058 19 0 "[ . 1 . 2]" 1
87 1 8 TYR HA 1 44 ARG HG2 . . 4.290 3.079 2.259 4.358 0.068 10 0 "[ . 1 . 2]" 1
88 1 8 TYR HA 1 44 ARG HG3 . . 4.510 3.299 2.188 4.573 0.063 12 0 "[ . 1 . 2]" 1
89 1 8 TYR HB2 1 9 MET H . . 4.180 3.855 3.392 4.260 0.080 20 0 "[ . 1 . 2]" 1
90 1 8 TYR HB2 1 42 TYR QD . . 4.690 4.185 3.105 4.763 0.073 9 0 "[ . 1 . 2]" 1
91 1 8 TYR HB2 1 62 ILE MG . . 4.270 3.709 2.931 4.338 0.068 6 0 "[ . 1 . 2]" 1
92 1 8 TYR HB3 1 9 MET H . . 3.910 2.775 2.188 3.590 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HB3 1 42 TYR QD . . 3.860 3.668 2.765 3.960 0.100 14 0 "[ . 1 . 2]" 1
94 1 8 TYR HB3 1 43 TYR H . . 5.210 3.417 2.957 3.911 . 0 0 "[ . 1 . 2]" 1
95 1 8 TYR HB3 1 62 ILE MG . . 4.420 3.337 2.421 4.005 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR QD 1 9 MET H . . 4.600 3.886 3.197 4.638 0.038 5 0 "[ . 1 . 2]" 1
97 1 8 TYR QD 1 43 TYR H . . 4.460 3.774 3.260 4.541 0.081 13 0 "[ . 1 . 2]" 1
98 1 8 TYR QD 1 43 TYR HA . . 5.120 2.859 2.283 4.551 . 0 0 "[ . 1 . 2]" 1
99 1 8 TYR QD 1 44 ARG H . . 4.790 3.662 2.728 4.873 0.083 13 0 "[ . 1 . 2]" 1
100 1 8 TYR QD 1 44 ARG HG2 . . 5.080 3.762 2.701 5.175 0.095 19 0 "[ . 1 . 2]" 1
101 1 8 TYR QD 1 44 ARG HG3 . . 4.790 3.306 2.289 4.351 . 0 0 "[ . 1 . 2]" 1
102 1 8 TYR QD 1 62 ILE HB . . 4.910 4.406 3.929 4.795 . 0 0 "[ . 1 . 2]" 1
103 1 8 TYR QD 1 62 ILE MD . . 3.980 3.710 3.038 4.077 0.097 16 0 "[ . 1 . 2]" 1
104 1 8 TYR QD 1 62 ILE MG . . 3.680 3.005 2.535 3.377 . 0 0 "[ . 1 . 2]" 1
105 1 8 TYR QE 1 44 ARG HD2 . . 5.050 3.977 2.437 5.139 0.089 15 0 "[ . 1 . 2]" 1
106 1 8 TYR QE 1 44 ARG HD3 . . 4.750 4.120 2.543 4.935 0.185 3 0 "[ . 1 . 2]" 1
107 1 8 TYR QE 1 44 ARG HG2 . . 5.340 4.147 2.822 5.397 0.057 1 0 "[ . 1 . 2]" 1
108 1 8 TYR QE 1 44 ARG HG3 . . 5.380 3.326 2.452 4.995 . 0 0 "[ . 1 . 2]" 1
109 1 8 TYR QE 1 62 ILE HB . . 4.630 4.191 3.610 4.671 0.041 13 0 "[ . 1 . 2]" 1
110 1 8 TYR QE 1 62 ILE MD . . 3.970 3.093 2.473 3.648 . 0 0 "[ . 1 . 2]" 1
111 1 8 TYR QE 1 62 ILE HG12 . . 4.960 4.006 3.622 4.331 . 0 0 "[ . 1 . 2]" 1
112 1 8 TYR QE 1 62 ILE HG13 . . 5.190 2.710 2.174 3.162 . 0 0 "[ . 1 . 2]" 1
113 1 8 TYR QE 1 62 ILE MG . . 4.000 3.574 2.754 4.006 0.006 5 0 "[ . 1 . 2]" 1
114 1 9 MET H 1 9 MET HB2 . . 3.730 3.072 2.418 3.875 0.145 8 0 "[ . 1 . 2]" 1
115 1 9 MET H 1 9 MET QG . . 3.560 2.602 2.149 3.639 0.079 1 0 "[ . 1 . 2]" 1
116 1 9 MET H 1 10 LEU H . . 4.860 4.429 4.253 4.593 . 0 0 "[ . 1 . 2]" 1
117 1 9 MET H 1 42 TYR HA . . 5.070 4.565 4.190 5.118 0.048 15 0 "[ . 1 . 2]" 1
118 1 9 MET H 1 42 TYR QD . . 5.310 4.428 3.543 5.361 0.051 15 0 "[ . 1 . 2]" 1
119 1 9 MET H 1 43 TYR H . . 3.780 2.956 2.600 3.368 . 0 0 "[ . 1 . 2]" 1
120 1 9 MET H 1 44 ARG HA . . 4.740 3.234 2.790 3.705 . 0 0 "[ . 1 . 2]" 1
121 1 9 MET HA 1 9 MET ME . . 4.580 4.413 4.109 4.639 0.059 16 0 "[ . 1 . 2]" 1
122 1 9 MET HA 1 9 MET QG . . 3.400 2.821 2.282 3.407 0.007 9 0 "[ . 1 . 2]" 1
123 1 9 MET HA 1 10 LEU H . . 3.040 2.493 2.148 2.627 . 0 0 "[ . 1 . 2]" 1
124 1 9 MET HB2 1 9 MET ME . . 4.030 2.419 2.181 3.077 . 0 0 "[ . 1 . 2]" 1
125 1 9 MET HB2 1 10 LEU H . . 3.930 3.030 2.099 3.997 0.067 12 0 "[ . 1 . 2]" 1
126 1 9 MET HB3 1 9 MET ME . . 4.320 2.629 2.192 3.065 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET HB3 1 10 LEU H . . 3.570 2.948 2.046 3.786 0.216 8 0 "[ . 1 . 2]" 1
128 1 9 MET HB3 1 43 TYR QE . . 4.880 4.824 3.434 5.811 0.931 16 8 "[ *-.* **1* .+ *2]" 1
129 1 9 MET ME 1 10 LEU H . . 5.200 4.386 3.760 5.024 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET ME 1 43 TYR QE . . 4.230 3.229 2.099 4.307 0.077 19 0 "[ . 1 . 2]" 1
131 1 9 MET ME 1 44 ARG HA . . 5.370 4.537 3.163 5.464 0.094 12 0 "[ . 1 . 2]" 1
132 1 9 MET ME 1 45 PRO HA . . 4.430 3.032 2.127 4.495 0.065 8 0 "[ . 1 . 2]" 1
133 1 9 MET ME 1 45 PRO HD3 . . 4.500 3.314 2.092 4.377 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET QG 1 10 LEU H . . 4.320 3.767 3.027 4.297 . 0 0 "[ . 1 . 2]" 1
135 1 9 MET QG 1 43 TYR QE . . 5.230 4.189 2.680 5.337 0.107 1 0 "[ . 1 . 2]" 1
136 1 9 MET QG 1 45 PRO HD3 . . 4.300 2.602 2.185 3.520 . 0 0 "[ . 1 . 2]" 1
137 1 9 MET QG 1 45 PRO HG3 . . 4.780 4.252 3.151 4.858 0.078 9 0 "[ . 1 . 2]" 1
138 1 10 LEU H 1 10 LEU HB2 . . 3.480 3.064 2.525 3.342 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU H 1 10 LEU HB3 . . 3.300 2.563 2.472 2.699 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU H 1 10 LEU QD . . 4.310 3.818 3.582 3.973 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU H 1 10 LEU HG . . 4.800 4.547 4.179 4.878 0.078 14 0 "[ . 1 . 2]" 1
142 1 10 LEU H 1 11 GLY H . . 5.150 4.289 4.109 4.521 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HA 1 10 LEU QD . . 3.130 2.280 2.121 2.985 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU HA 1 11 GLY H . . 3.300 2.256 2.093 2.424 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU HA 1 11 GLY HA3 . . 5.490 4.403 4.170 4.471 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HA 1 42 TYR HA . . 3.910 2.818 2.147 3.421 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU HA 1 42 TYR QD . . 4.900 3.466 2.515 4.554 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU HA 1 42 TYR QE . . 5.150 4.425 3.434 5.130 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU HA 1 43 TYR H . . 4.430 3.845 3.471 4.441 0.011 16 0 "[ . 1 . 2]" 1
150 1 10 LEU HB2 1 10 LEU QD . . 3.200 2.252 2.090 2.510 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU HB2 1 11 GLY H . . 4.740 4.239 4.052 4.517 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU HB2 1 42 TYR QE . . 4.380 2.558 2.228 3.084 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU HB3 1 10 LEU QD . . 3.050 2.212 2.109 2.299 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU HB3 1 42 TYR QE . . 4.340 3.970 3.437 4.426 0.086 12 0 "[ . 1 . 2]" 1
155 1 10 LEU QD 1 11 GLY H . . 3.540 2.358 1.808 3.340 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU QD 1 11 GLY HA3 . . 5.500 4.042 3.406 4.862 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU QD 1 40 GLN HB2 . . 3.610 2.427 2.062 4.153 0.543 12 1 "[ . 1 + . 2]" 1
158 1 10 LEU QD 1 40 GLN HB3 . . 4.360 2.675 2.041 3.888 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU QD 1 40 GLN HE21 . . 3.850 2.471 1.822 3.388 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU QD 1 40 GLN HE22 . . 3.620 2.228 1.713 2.857 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU QD 1 40 GLN HG2 . . 4.100 3.659 2.259 3.883 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU QD 1 40 GLN HG3 . . 3.910 3.383 2.397 3.850 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU QD 1 41 VAL H . . 4.800 2.998 2.569 4.205 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU QD 1 42 TYR H . . 5.090 4.298 3.579 5.110 0.020 12 0 "[ . 1 . 2]" 1
165 1 10 LEU QD 1 42 TYR HA . . 4.230 3.198 2.489 4.097 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU QD 1 42 TYR QD . . 4.160 3.098 2.776 3.670 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU QD 1 42 TYR QE . . 3.800 2.804 2.397 3.283 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU HG 1 11 GLY H . . 4.500 3.520 2.109 4.585 0.085 13 0 "[ . 1 . 2]" 1
169 1 10 LEU HG 1 40 GLN HE21 . . 4.240 3.427 1.976 4.322 0.082 18 0 "[ . 1 . 2]" 1
170 1 10 LEU HG 1 40 GLN HE22 . . 4.240 3.186 1.972 4.319 0.079 2 0 "[ . 1 . 2]" 1
171 1 11 GLY H 1 12 SER H . . 5.030 3.761 2.660 4.555 . 0 0 "[ . 1 . 2]" 1
172 1 11 GLY H 1 41 VAL H . . 4.610 3.852 3.399 4.663 0.053 8 0 "[ . 1 . 2]" 1
173 1 11 GLY H 1 41 VAL QG . . 4.760 4.429 3.926 4.762 0.002 12 0 "[ . 1 . 2]" 1
174 1 11 GLY H 1 42 TYR HA . . 4.610 4.238 3.146 4.695 0.085 12 0 "[ . 1 . 2]" 1
175 1 11 GLY H 1 43 TYR QD . . 4.950 3.902 2.905 4.865 . 0 0 "[ . 1 . 2]" 1
176 1 11 GLY H 1 43 TYR QE . . 4.380 2.707 2.161 3.988 . 0 0 "[ . 1 . 2]" 1
177 1 11 GLY HA2 1 12 SER HB2 . . 4.930 4.868 4.395 5.388 0.458 16 0 "[ . 1 . 2]" 1
178 1 11 GLY HA2 1 43 TYR QE . . 4.150 3.262 2.237 4.196 0.046 3 0 "[ . 1 . 2]" 1
179 1 11 GLY HA3 1 12 SER H . . 3.610 2.555 2.046 3.662 0.052 17 0 "[ . 1 . 2]" 1
180 1 11 GLY HA3 1 43 TYR QE . . 4.360 2.770 2.135 3.324 . 0 0 "[ . 1 . 2]" 1
181 1 12 SER H 1 12 SER HB2 . . 3.380 2.809 2.300 3.519 0.139 8 0 "[ . 1 . 2]" 1
182 1 12 SER H 1 12 SER HB3 . . 3.670 3.577 3.001 3.761 0.091 4 0 "[ . 1 . 2]" 1
183 1 12 SER H 1 13 ALA H . . 4.570 3.156 1.764 4.644 0.074 4 0 "[ . 1 . 2]" 1
184 1 12 SER H 1 40 GLN HE21 . . 4.820 4.086 3.114 5.481 0.661 12 1 "[ . 1 + . 2]" 1
185 1 12 SER H 1 43 TYR QE . . 4.790 4.795 4.265 4.897 0.107 19 0 "[ . 1 . 2]" 1
186 1 12 SER HA 1 13 ALA MB . . 4.150 4.088 3.647 4.255 0.105 11 0 "[ . 1 . 2]" 1
187 1 12 SER HA 1 40 GLN HE21 . . 3.850 3.501 2.637 4.374 0.524 12 1 "[ . 1 + . 2]" 1
188 1 12 SER HA 1 40 GLN HE22 . . 4.290 3.432 2.501 4.361 0.071 9 0 "[ . 1 . 2]" 1
189 1 12 SER HB2 1 13 ALA H . . 3.470 2.910 2.155 3.538 0.068 9 0 "[ . 1 . 2]" 1
190 1 12 SER HB2 1 13 ALA MB . . 4.440 4.590 4.160 4.971 0.531 8 3 "[ * . + 1 - . 2]" 1
191 1 12 SER HB3 1 13 ALA H . . 3.410 3.085 2.144 3.500 0.090 11 0 "[ . 1 . 2]" 1
192 1 12 SER HB3 1 13 ALA MB . . 4.850 4.073 3.359 4.725 . 0 0 "[ . 1 . 2]" 1
193 1 13 ALA H 1 13 ALA MB . . 3.160 2.799 1.990 3.213 0.053 14 0 "[ . 1 . 2]" 1
194 1 13 ALA H 1 40 GLN HB3 . . 5.210 4.322 2.847 5.654 0.444 12 0 "[ . 1 . 2]" 1
195 1 13 ALA H 1 40 GLN HE21 . . 4.380 3.857 3.143 4.828 0.448 12 0 "[ . 1 . 2]" 1
196 1 13 ALA H 1 40 GLN HE22 . . 4.910 4.665 3.497 4.994 0.084 15 0 "[ . 1 . 2]" 1
197 1 13 ALA H 1 40 GLN HG2 . . 5.500 4.169 2.676 5.527 0.027 12 0 "[ . 1 . 2]" 1
198 1 13 ALA HA 1 14 MET H . . 2.890 2.443 2.297 2.595 . 0 0 "[ . 1 . 2]" 1
199 1 13 ALA HA 1 14 MET HG2 . . 5.330 4.090 3.619 4.830 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA HA 1 40 GLN HB2 . . 4.640 4.113 2.479 4.700 0.060 5 0 "[ . 1 . 2]" 1
201 1 13 ALA HA 1 40 GLN HB3 . . 3.630 3.082 1.996 4.478 0.848 11 1 "[ . 1+ . 2]" 1
202 1 13 ALA HA 1 40 GLN HE21 . . 3.970 3.787 2.838 4.703 0.733 12 1 "[ . 1 + . 2]" 1
203 1 13 ALA HA 1 40 GLN HG2 . . 3.760 2.472 2.032 4.213 0.453 12 0 "[ . 1 . 2]" 1
204 1 13 ALA HA 1 40 GLN HG3 . . 4.130 3.691 2.258 4.226 0.096 6 0 "[ . 1 . 2]" 1
205 1 13 ALA HA 1 41 VAL H . . 5.050 4.779 4.279 5.127 0.077 19 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 14 MET H . . 3.220 2.420 2.060 2.727 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 39 ASN HB2 . . 4.720 3.243 2.361 4.303 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 39 ASN HB3 . . 5.500 3.407 2.041 4.557 . 0 0 "[ . 1 . 2]" 1
209 1 13 ALA MB 1 39 ASN HD21 . . 3.710 2.272 1.756 3.778 0.068 9 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 39 ASN HD22 . . 3.450 2.918 2.485 3.780 0.330 1 0 "[ . 1 . 2]" 1
211 1 13 ALA MB 1 40 GLN HB3 . . 4.390 3.933 3.243 4.872 0.482 11 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 40 GLN HE21 . . 4.730 3.630 2.229 4.536 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA MB 1 40 GLN HE22 . . 4.730 4.034 3.131 4.685 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA MB 1 40 GLN HG2 . . 4.160 2.553 2.069 4.541 0.381 12 0 "[ . 1 . 2]" 1
215 1 13 ALA MB 1 40 GLN HG3 . . 4.440 3.449 2.202 4.506 0.066 6 0 "[ . 1 . 2]" 1
216 1 13 ALA MB 1 93 MET ME . . 5.500 5.444 5.019 5.645 0.145 6 0 "[ . 1 . 2]" 1
217 1 14 MET H 1 14 MET QB . . 3.690 3.202 3.086 3.372 . 0 0 "[ . 1 . 2]" 1
218 1 14 MET H 1 14 MET ME . . 4.230 4.096 3.625 4.337 0.107 10 0 "[ . 1 . 2]" 1
219 1 14 MET H 1 14 MET HG2 . . 3.890 2.624 2.350 2.829 . 0 0 "[ . 1 . 2]" 1
220 1 14 MET H 1 14 MET HG3 . . 4.010 3.679 3.218 4.090 0.080 7 0 "[ . 1 . 2]" 1
221 1 14 MET H 1 15 SER H . . 4.740 4.384 4.176 4.524 . 0 0 "[ . 1 . 2]" 1
222 1 14 MET H 1 39 ASN HB2 . . 4.180 3.773 2.121 4.832 0.652 20 7 "[ * . -* *** +]" 1
223 1 14 MET H 1 39 ASN HB3 . . 4.740 4.131 2.546 4.807 0.067 14 0 "[ . 1 . 2]" 1
224 1 14 MET H 1 39 ASN HD21 . . 5.500 3.918 2.926 5.233 . 0 0 "[ . 1 . 2]" 1
225 1 14 MET H 1 39 ASN HD22 . . 5.500 4.567 2.671 5.576 0.076 13 0 "[ . 1 . 2]" 1
226 1 14 MET H 1 40 GLN HA . . 3.940 3.828 3.409 4.021 0.081 3 0 "[ . 1 . 2]" 1
227 1 14 MET H 1 93 MET ME . . 5.190 4.646 4.162 5.155 . 0 0 "[ . 1 . 2]" 1
228 1 14 MET HA 1 14 MET ME . . 5.500 4.522 4.200 4.751 . 0 0 "[ . 1 . 2]" 1
229 1 14 MET HA 1 15 SER H . . 3.190 2.554 2.331 2.981 . 0 0 "[ . 1 . 2]" 1
230 1 14 MET QB 1 14 MET ME . . 2.500 2.404 2.204 2.615 0.115 14 0 "[ . 1 . 2]" 1
231 1 14 MET QB 1 15 SER H . . 3.250 2.404 1.860 2.866 . 0 0 "[ . 1 . 2]" 1
232 1 14 MET QB 1 96 THR MG . . 4.020 3.394 3.023 3.728 . 0 0 "[ . 1 . 2]" 1
233 1 14 MET ME 1 14 MET HG2 . . 3.260 2.623 2.205 3.352 0.092 7 0 "[ . 1 . 2]" 1
234 1 14 MET ME 1 14 MET HG3 . . 3.840 3.027 2.196 3.420 . 0 0 "[ . 1 . 2]" 1
235 1 14 MET ME 1 40 GLN HA . . 4.370 3.331 2.873 3.627 . 0 0 "[ . 1 . 2]" 1
236 1 14 MET ME 1 41 VAL H . . 4.420 3.937 3.279 4.304 . 0 0 "[ . 1 . 2]" 1
237 1 14 MET ME 1 41 VAL QG . . 3.490 2.456 2.054 2.823 . 0 0 "[ . 1 . 2]" 1
238 1 14 MET ME 1 93 MET HA . . 3.880 2.834 2.260 3.446 . 0 0 "[ . 1 . 2]" 1
239 1 14 MET ME 1 93 MET HG2 . . 3.760 3.365 2.783 3.835 0.075 5 0 "[ . 1 . 2]" 1
240 1 14 MET ME 1 93 MET HG3 . . 5.500 4.342 3.851 4.858 . 0 0 "[ . 1 . 2]" 1
241 1 14 MET ME 1 94 CYS HA . . 4.220 4.304 4.221 4.326 0.106 3 0 "[ . 1 . 2]" 1
242 1 14 MET ME 1 96 THR H . . 4.580 4.169 3.861 4.414 . 0 0 "[ . 1 . 2]" 1
243 1 14 MET ME 1 96 THR HA . . 5.500 4.941 4.483 5.250 . 0 0 "[ . 1 . 2]" 1
244 1 14 MET ME 1 96 THR HB . . 3.490 2.542 2.088 2.903 . 0 0 "[ . 1 . 2]" 1
245 1 14 MET ME 1 96 THR MG . . 3.060 2.743 2.177 3.156 0.096 15 0 "[ . 1 . 2]" 1
246 1 14 MET ME 1 97 GLN H . . 3.800 3.115 2.460 3.622 . 0 0 "[ . 1 . 2]" 1
247 1 14 MET ME 1 97 GLN HA . . 4.050 3.815 3.223 4.142 0.092 10 0 "[ . 1 . 2]" 1
248 1 14 MET ME 1 100 ARG QD . . 4.360 3.765 3.156 4.228 . 0 0 "[ . 1 . 2]" 1
249 1 14 MET HG2 1 15 SER H . . 4.650 4.239 3.537 4.766 0.116 15 0 "[ . 1 . 2]" 1
250 1 14 MET HG2 1 93 MET ME . . 3.940 3.620 2.625 4.136 0.196 14 0 "[ . 1 . 2]" 1
251 1 14 MET HG3 1 15 SER H . . 4.820 3.613 2.883 4.584 . 0 0 "[ . 1 . 2]" 1
252 1 14 MET HG3 1 93 MET ME . . 4.500 4.028 3.224 4.573 0.073 4 0 "[ . 1 . 2]" 1
253 1 15 SER H 1 15 SER HB2 . . 3.490 2.664 2.287 3.560 0.070 16 0 "[ . 1 . 2]" 1
254 1 15 SER H 1 15 SER HB3 . . 3.150 3.051 2.397 3.560 0.410 13 0 "[ . 1 . 2]" 1
255 1 15 SER H 1 16 ARG H . . 4.970 4.641 4.378 4.733 . 0 0 "[ . 1 . 2]" 1
256 1 15 SER HA 1 16 ARG H . . 2.950 2.531 2.373 2.800 . 0 0 "[ . 1 . 2]" 1
257 1 15 SER HB2 1 16 ARG H . . 3.850 3.546 2.326 4.167 0.317 11 0 "[ . 1 . 2]" 1
258 1 15 SER HB3 1 16 ARG H . . 4.100 3.084 2.280 4.037 . 0 0 "[ . 1 . 2]" 1
259 1 16 ARG H 1 16 ARG QB . . 3.400 2.371 2.275 2.503 . 0 0 "[ . 1 . 2]" 1
260 1 16 ARG H 1 16 ARG HD3 . . 4.770 4.174 3.607 4.571 . 0 0 "[ . 1 . 2]" 1
261 1 16 ARG H 1 16 ARG QG . . 3.740 2.527 1.931 3.516 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG H 1 34 MET ME . . 4.190 4.278 4.136 4.308 0.118 8 0 "[ . 1 . 2]" 1
263 1 16 ARG HA 1 16 ARG QG . . 3.470 2.760 2.279 3.052 . 0 0 "[ . 1 . 2]" 1
264 1 16 ARG HA 1 17 PRO HD2 . . 3.280 2.245 2.089 2.443 . 0 0 "[ . 1 . 2]" 1
265 1 16 ARG HA 1 17 PRO HD3 . . 3.390 2.404 2.223 2.564 . 0 0 "[ . 1 . 2]" 1
266 1 16 ARG HA 1 34 MET ME . . 4.340 4.313 4.058 4.436 0.096 10 0 "[ . 1 . 2]" 1
267 1 16 ARG HA 1 89 VAL QG . . 4.560 3.655 3.434 3.892 . 0 0 "[ . 1 . 2]" 1
268 1 16 ARG HA 1 93 MET ME . . 4.210 4.144 3.837 4.317 0.107 8 0 "[ . 1 . 2]" 1
269 1 16 ARG QB 1 34 MET ME . . 2.400 2.016 1.881 2.144 . 0 0 "[ . 1 . 2]" 1
270 1 16 ARG HD2 1 34 MET ME . . 3.480 3.322 2.436 3.581 0.101 20 0 "[ . 1 . 2]" 1
271 1 16 ARG HD3 1 34 MET ME . . 4.270 3.742 2.237 4.350 0.080 17 0 "[ . 1 . 2]" 1
272 1 16 ARG HE 1 89 VAL QG . . 4.140 4.197 3.347 5.385 1.245 3 5 "[ + . -1 * . **]" 1
273 1 16 ARG HE 1 93 MET ME . . 4.780 3.935 3.008 4.880 0.100 20 0 "[ . 1 . 2]" 1
274 1 16 ARG QG 1 34 MET ME . . 2.590 2.387 2.062 2.627 0.037 18 0 "[ . 1 . 2]" 1
275 1 17 PRO HA 1 18 LEU H . . 3.300 3.221 2.189 3.383 0.083 12 0 "[ . 1 . 2]" 1
276 1 17 PRO HA 1 18 LEU HA . . 5.210 5.108 4.334 5.228 0.018 10 0 "[ . 1 . 2]" 1
277 1 17 PRO HA 1 18 LEU HB2 . . 4.320 4.297 3.786 4.408 0.088 4 0 "[ . 1 . 2]" 1
278 1 17 PRO HA 1 18 LEU HB3 . . 5.410 5.212 4.811 5.500 0.090 7 0 "[ . 1 . 2]" 1
279 1 17 PRO HB2 1 18 LEU H . . 4.030 3.842 3.284 4.105 0.075 2 0 "[ . 1 . 2]" 1
280 1 17 PRO HB2 1 19 ILE MD . . 4.020 3.107 2.788 3.399 . 0 0 "[ . 1 . 2]" 1
281 1 17 PRO HB2 1 19 ILE HG12 . . 4.720 3.341 2.843 3.717 . 0 0 "[ . 1 . 2]" 1
282 1 17 PRO HB2 1 19 ILE HG13 . . 4.970 4.592 3.412 5.031 0.061 3 0 "[ . 1 . 2]" 1
283 1 17 PRO HB2 1 19 ILE MG . . 5.500 5.382 5.056 5.579 0.079 4 0 "[ . 1 . 2]" 1
284 1 17 PRO HB2 1 89 VAL QG . . 4.340 3.920 3.832 3.981 . 0 0 "[ . 1 . 2]" 1
285 1 17 PRO HB3 1 18 LEU H . . 4.570 4.451 4.063 4.628 0.058 6 0 "[ . 1 . 2]" 1
286 1 17 PRO HB3 1 19 ILE HG12 . . 5.180 4.917 4.548 5.222 0.042 11 0 "[ . 1 . 2]" 1
287 1 17 PRO HB3 1 89 VAL QG . . 5.050 4.125 4.033 4.270 . 0 0 "[ . 1 . 2]" 1
288 1 17 PRO HB3 1 93 MET ME . . 5.500 5.525 5.204 5.606 0.106 18 0 "[ . 1 . 2]" 1
289 1 17 PRO HD2 1 89 VAL QG . . 4.240 2.159 2.007 2.357 . 0 0 "[ . 1 . 2]" 1
290 1 17 PRO HD2 1 93 MET ME . . 4.260 3.990 3.591 4.352 0.092 10 0 "[ . 1 . 2]" 1
291 1 17 PRO HD2 1 93 MET HG2 . . 4.360 4.313 4.017 4.629 0.269 8 0 "[ . 1 . 2]" 1
292 1 17 PRO HD2 1 93 MET HG3 . . 4.550 3.875 3.459 4.372 . 0 0 "[ . 1 . 2]" 1
293 1 17 PRO HD3 1 89 VAL QG . . 3.870 2.924 2.646 3.273 . 0 0 "[ . 1 . 2]" 1
294 1 17 PRO HD3 1 93 MET ME . . 3.950 3.663 3.429 3.840 . 0 0 "[ . 1 . 2]" 1
295 1 17 PRO HD3 1 93 MET HG2 . . 4.690 2.788 2.306 3.112 . 0 0 "[ . 1 . 2]" 1
296 1 17 PRO HD3 1 93 MET HG3 . . 4.270 2.714 2.340 3.132 . 0 0 "[ . 1 . 2]" 1
297 1 17 PRO HG2 1 19 ILE MD . . 4.930 2.956 2.663 3.147 . 0 0 "[ . 1 . 2]" 1
298 1 17 PRO HG2 1 19 ILE HG12 . . 5.110 2.837 2.376 4.147 . 0 0 "[ . 1 . 2]" 1
299 1 17 PRO HG2 1 19 ILE HG13 . . 4.590 3.509 2.687 4.043 . 0 0 "[ . 1 . 2]" 1
300 1 17 PRO HG2 1 89 VAL HA . . 4.750 2.594 2.360 2.839 . 0 0 "[ . 1 . 2]" 1
301 1 17 PRO HG2 1 89 VAL QG . . 3.340 2.175 2.084 2.248 . 0 0 "[ . 1 . 2]" 1
302 1 17 PRO HG2 1 93 MET HG3 . . 3.910 3.986 3.936 4.108 0.198 14 0 "[ . 1 . 2]" 1
303 1 17 PRO HG3 1 19 ILE MD . . 4.740 3.567 3.289 3.933 . 0 0 "[ . 1 . 2]" 1
304 1 17 PRO HG3 1 19 ILE HG12 . . 5.360 4.324 3.846 5.185 . 0 0 "[ . 1 . 2]" 1
305 1 17 PRO HG3 1 19 ILE HG13 . . 5.500 4.865 4.021 5.257 . 0 0 "[ . 1 . 2]" 1
306 1 17 PRO HG3 1 89 VAL HA . . 3.620 2.926 2.672 3.333 . 0 0 "[ . 1 . 2]" 1
307 1 17 PRO HG3 1 89 VAL QG . . 2.960 2.358 2.230 2.730 . 0 0 "[ . 1 . 2]" 1
308 1 17 PRO HG3 1 93 MET HG3 . . 5.010 2.312 2.234 2.476 . 0 0 "[ . 1 . 2]" 1
309 1 18 LEU H 1 18 LEU HB2 . . 3.350 2.778 2.147 3.049 . 0 0 "[ . 1 . 2]" 1
310 1 18 LEU H 1 18 LEU HB3 . . 3.860 3.795 3.303 3.942 0.082 10 0 "[ . 1 . 2]" 1
311 1 18 LEU H 1 18 LEU MD1 . . 4.780 4.496 4.157 4.664 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU H 1 18 LEU MD2 . . 4.470 4.103 3.910 4.232 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU H 1 18 LEU HG . . 3.610 3.626 3.379 3.686 0.076 6 0 "[ . 1 . 2]" 1
314 1 18 LEU H 1 19 ILE H . . 4.590 3.526 3.240 4.634 0.044 18 0 "[ . 1 . 2]" 1
315 1 18 LEU HA 1 18 LEU MD1 . . 4.130 3.712 3.678 3.758 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU HA 1 18 LEU MD2 . . 3.290 2.206 1.991 2.375 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU HA 1 18 LEU HG . . 3.950 2.454 2.297 2.898 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU HA 1 19 ILE H . . 2.980 2.261 2.090 2.453 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU HA 1 30 TYR QE . . 3.640 2.144 1.958 2.533 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU HA 1 34 MET ME . . 4.430 3.052 2.575 3.552 . 0 0 "[ . 1 . 2]" 1
321 1 18 LEU HB2 1 18 LEU MD1 . . 3.260 2.345 2.244 2.471 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU HB2 1 18 LEU MD2 . . 3.530 3.278 3.229 3.309 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU HB2 1 18 LEU HG . . 2.400 2.415 2.306 2.462 0.062 10 0 "[ . 1 . 2]" 1
324 1 18 LEU HB2 1 19 ILE H . . 4.710 4.674 4.534 4.759 0.049 14 0 "[ . 1 . 2]" 1
325 1 18 LEU HB3 1 18 LEU MD1 . . 3.350 2.344 2.249 2.464 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU HB3 1 18 LEU MD2 . . 3.390 2.534 2.357 2.735 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU HB3 1 18 LEU HG . . 3.010 3.033 3.012 3.044 0.034 14 0 "[ . 1 . 2]" 1
328 1 18 LEU HB3 1 19 ILE H . . 4.590 4.300 3.549 4.514 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU HB3 1 34 MET ME . . 4.840 4.744 4.502 4.939 0.099 18 0 "[ . 1 . 2]" 1
330 1 18 LEU MD1 1 19 ILE H . . 5.500 5.250 4.574 5.547 0.047 13 0 "[ . 1 . 2]" 1
331 1 18 LEU MD1 1 30 TYR QD . . 5.500 5.688 5.121 5.946 0.446 13 0 "[ . 1 . 2]" 1
332 1 18 LEU MD1 1 30 TYR QE . . 4.610 4.683 4.459 4.727 0.117 13 0 "[ . 1 . 2]" 1
333 1 18 LEU MD1 1 34 MET ME . . 3.720 3.541 3.153 3.815 0.095 2 0 "[ . 1 . 2]" 1
334 1 18 LEU MD2 1 19 ILE H . . 4.550 3.136 2.465 3.618 . 0 0 "[ . 1 . 2]" 1
335 1 18 LEU MD2 1 19 ILE HA . . 5.500 4.672 4.336 5.417 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU MD2 1 30 TYR QD . . 4.990 3.242 2.653 3.576 . 0 0 "[ . 1 . 2]" 1
337 1 18 LEU MD2 1 30 TYR QE . . 4.270 2.199 2.022 2.576 . 0 0 "[ . 1 . 2]" 1
338 1 18 LEU MD2 1 31 ARG HA . . 5.500 4.334 3.393 4.860 . 0 0 "[ . 1 . 2]" 1
339 1 18 LEU MD2 1 31 ARG HD2 . . 5.500 3.559 2.879 4.270 . 0 0 "[ . 1 . 2]" 1
340 1 18 LEU MD2 1 31 ARG HD3 . . 4.860 2.761 2.175 4.303 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU MD2 1 31 ARG HG3 . . 5.280 4.883 2.741 5.365 0.085 5 0 "[ . 1 . 2]" 1
342 1 18 LEU MD2 1 34 MET ME . . 3.080 3.017 1.987 3.208 0.128 8 0 "[ . 1 . 2]" 1
343 1 18 LEU HG 1 19 ILE H . . 5.140 4.580 4.082 5.028 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU HG 1 34 MET ME . . 3.190 2.369 2.110 2.970 . 0 0 "[ . 1 . 2]" 1
345 1 19 ILE H 1 19 ILE HB . . 3.480 2.328 2.154 2.539 . 0 0 "[ . 1 . 2]" 1
346 1 19 ILE H 1 19 ILE MD . . 4.370 3.811 3.513 4.275 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE H 1 19 ILE HG12 . . 3.650 2.451 2.073 3.677 0.027 18 0 "[ . 1 . 2]" 1
348 1 19 ILE H 1 19 ILE HG13 . . 3.680 3.163 2.147 3.571 . 0 0 "[ . 1 . 2]" 1
349 1 19 ILE H 1 19 ILE MG . . 4.060 3.728 3.610 3.829 . 0 0 "[ . 1 . 2]" 1
350 1 19 ILE H 1 20 HIS H . . 5.030 4.546 4.391 4.662 . 0 0 "[ . 1 . 2]" 1
351 1 19 ILE H 1 30 TYR QD . . 5.500 3.833 3.290 4.208 . 0 0 "[ . 1 . 2]" 1
352 1 19 ILE H 1 30 TYR QE . . 2.400 2.081 1.789 2.497 0.097 4 0 "[ . 1 . 2]" 1
353 1 19 ILE HA 1 19 ILE MD . . 3.760 2.708 2.223 3.702 . 0 0 "[ . 1 . 2]" 1
354 1 19 ILE HA 1 19 ILE HG12 . . 4.020 2.735 2.241 3.024 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE HA 1 19 ILE HG13 . . 4.180 3.720 3.199 3.879 . 0 0 "[ . 1 . 2]" 1
356 1 19 ILE HA 1 19 ILE MG . . 3.330 2.560 2.384 2.714 . 0 0 "[ . 1 . 2]" 1
357 1 19 ILE HA 1 20 HIS H . . 2.880 2.262 2.013 2.718 . 0 0 "[ . 1 . 2]" 1
358 1 19 ILE HB 1 19 ILE MD . . 3.160 3.139 2.658 3.245 0.085 8 0 "[ . 1 . 2]" 1
359 1 19 ILE HB 1 20 HIS H . . 3.990 3.888 3.416 4.059 0.069 1 0 "[ . 1 . 2]" 1
360 1 19 ILE HB 1 21 PHE QE . . 3.750 2.773 2.419 3.406 . 0 0 "[ . 1 . 2]" 1
361 1 19 ILE HB 1 21 PHE HZ . . 4.730 3.316 2.841 3.775 . 0 0 "[ . 1 . 2]" 1
362 1 19 ILE HB 1 30 TYR QE . . 4.170 3.435 3.055 4.070 . 0 0 "[ . 1 . 2]" 1
363 1 19 ILE MD 1 19 ILE MG . . 2.990 2.002 1.940 2.086 . 0 0 "[ . 1 . 2]" 1
364 1 19 ILE MD 1 20 HIS H . . 4.570 3.817 3.381 4.674 0.104 17 0 "[ . 1 . 2]" 1
365 1 19 ILE MD 1 21 PHE QE . . 4.010 4.011 3.317 4.146 0.136 5 0 "[ . 1 . 2]" 1
366 1 19 ILE MD 1 21 PHE HZ . . 3.850 3.780 2.814 3.945 0.095 19 0 "[ . 1 . 2]" 1
367 1 19 ILE MD 1 85 ILE MD . . 5.500 6.651 5.683 7.037 1.537 9 17 "[ ****** +******* -**]" 1
368 1 19 ILE MD 1 85 ILE MG . . 5.050 5.062 4.300 5.194 0.144 1 0 "[ . 1 . 2]" 1
369 1 19 ILE MD 1 88 ARG HA . . 5.150 3.716 3.523 3.860 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE MD 1 88 ARG HB2 . . 4.090 3.910 3.374 4.159 0.069 5 0 "[ . 1 . 2]" 1
371 1 19 ILE MD 1 88 ARG HB3 . . 3.710 2.437 2.109 2.833 . 0 0 "[ . 1 . 2]" 1
372 1 19 ILE MD 1 88 ARG HD2 . . 4.650 3.083 2.054 4.722 0.072 7 0 "[ . 1 . 2]" 1
373 1 19 ILE MD 1 88 ARG HD3 . . 4.680 3.852 2.988 4.765 0.085 2 0 "[ . 1 . 2]" 1
374 1 19 ILE MD 1 88 ARG HE . . 4.400 4.109 3.446 4.505 0.105 8 0 "[ . 1 . 2]" 1
375 1 19 ILE MD 1 88 ARG HG2 . . 3.860 3.543 2.109 4.490 0.630 20 6 "[* . *1* -. *+]" 1
376 1 19 ILE MD 1 88 ARG HG3 . . 4.390 3.936 3.183 4.404 0.014 18 0 "[ . 1 . 2]" 1
377 1 19 ILE MD 1 89 VAL H . . 4.270 3.587 3.269 3.743 . 0 0 "[ . 1 . 2]" 1
378 1 19 ILE MD 1 89 VAL HA . . 3.160 2.108 2.012 2.168 . 0 0 "[ . 1 . 2]" 1
379 1 19 ILE MD 1 89 VAL HB . . 4.140 4.536 4.115 4.686 0.546 20 2 "[ - 1 . +]" 1
380 1 19 ILE MD 1 89 VAL QG . . 3.150 2.843 2.321 2.992 . 0 0 "[ . 1 . 2]" 1
381 1 19 ILE MD 1 92 GLN H . . 4.630 3.355 3.106 3.513 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE MD 1 92 GLN HB2 . . 3.340 2.948 2.628 3.280 . 0 0 "[ . 1 . 2]" 1
383 1 19 ILE MD 1 92 GLN HB3 . . 4.340 3.917 3.674 4.149 . 0 0 "[ . 1 . 2]" 1
384 1 19 ILE MD 1 92 GLN HE21 . . 4.890 4.030 3.396 4.492 . 0 0 "[ . 1 . 2]" 1
385 1 19 ILE MD 1 92 GLN HG2 . . 3.530 2.226 2.146 2.441 . 0 0 "[ . 1 . 2]" 1
386 1 19 ILE MD 1 92 GLN HG3 . . 3.660 2.232 2.070 2.423 . 0 0 "[ . 1 . 2]" 1
387 1 19 ILE HG12 1 19 ILE MG . . 3.410 3.150 2.680 3.241 . 0 0 "[ . 1 . 2]" 1
388 1 19 ILE HG12 1 20 HIS H . . 4.870 4.687 4.133 4.945 0.075 7 0 "[ . 1 . 2]" 1
389 1 19 ILE HG12 1 30 TYR QE . . 4.630 4.111 3.425 4.722 0.092 17 0 "[ . 1 . 2]" 1
390 1 19 ILE HG12 1 89 VAL HA . . 5.500 3.334 2.876 4.240 . 0 0 "[ . 1 . 2]" 1
391 1 19 ILE HG13 1 19 ILE MG . . 3.520 2.635 2.351 3.240 . 0 0 "[ . 1 . 2]" 1
392 1 19 ILE HG13 1 20 HIS H . . 5.180 5.173 4.946 5.258 0.078 1 0 "[ . 1 . 2]" 1
393 1 19 ILE HG13 1 21 PHE QE . . 4.270 3.778 3.166 4.364 0.094 13 0 "[ . 1 . 2]" 1
394 1 19 ILE HG13 1 30 TYR QE . . 4.340 4.179 3.333 4.417 0.077 19 0 "[ . 1 . 2]" 1
395 1 19 ILE HG13 1 89 VAL HA . . 4.050 2.869 2.402 3.538 . 0 0 "[ . 1 . 2]" 1
396 1 19 ILE HG13 1 92 GLN HG2 . . 4.670 4.735 4.625 4.759 0.089 5 0 "[ . 1 . 2]" 1
397 1 19 ILE MG 1 20 HIS H . . 3.380 2.278 1.775 2.524 . 0 0 "[ . 1 . 2]" 1
398 1 19 ILE MG 1 20 HIS HD2 . . 4.310 2.618 2.002 3.667 . 0 0 "[ . 1 . 2]" 1
399 1 19 ILE MG 1 21 PHE H . . 5.120 3.474 2.325 4.286 . 0 0 "[ . 1 . 2]" 1
400 1 19 ILE MG 1 21 PHE HA . . 5.500 3.658 3.175 4.042 . 0 0 "[ . 1 . 2]" 1
401 1 19 ILE MG 1 21 PHE QD . . 4.300 3.160 3.023 3.467 . 0 0 "[ . 1 . 2]" 1
402 1 19 ILE MG 1 21 PHE QE . . 3.690 2.672 2.420 3.058 . 0 0 "[ . 1 . 2]" 1
403 1 19 ILE MG 1 21 PHE HZ . . 4.060 2.837 2.478 3.694 . 0 0 "[ . 1 . 2]" 1
404 1 19 ILE MG 1 88 ARG HB2 . . 4.950 3.851 3.536 4.581 . 0 0 "[ . 1 . 2]" 1
405 1 19 ILE MG 1 88 ARG HB3 . . 4.250 2.616 2.348 3.275 . 0 0 "[ . 1 . 2]" 1
406 1 19 ILE MG 1 88 ARG HD2 . . 4.500 2.842 2.032 4.243 . 0 0 "[ . 1 . 2]" 1
407 1 19 ILE MG 1 88 ARG HD3 . . 4.730 3.659 3.310 4.010 . 0 0 "[ . 1 . 2]" 1
408 1 19 ILE MG 1 88 ARG HE . . 4.710 2.872 1.981 3.698 . 0 0 "[ . 1 . 2]" 1
409 1 19 ILE MG 1 88 ARG HG2 . . 3.940 3.644 2.136 4.600 0.660 13 8 "[* . ** +*. **-2]" 1
410 1 19 ILE MG 1 88 ARG HG3 . . 4.390 3.720 3.292 4.557 0.167 17 0 "[ . 1 . 2]" 1
411 1 19 ILE MG 1 89 VAL HA . . 4.980 4.553 4.259 4.895 . 0 0 "[ . 1 . 2]" 1
412 1 19 ILE MG 1 89 VAL QG . . 4.240 3.759 3.452 4.172 . 0 0 "[ . 1 . 2]" 1
413 1 19 ILE MG 1 92 GLN HG2 . . 4.640 4.481 4.282 4.579 . 0 0 "[ . 1 . 2]" 1
414 1 19 ILE MG 1 92 GLN HG3 . . 4.840 4.379 3.982 4.585 . 0 0 "[ . 1 . 2]" 1
415 1 20 HIS H 1 20 HIS HB2 . . 3.770 3.659 3.405 3.835 0.065 3 0 "[ . 1 . 2]" 1
416 1 20 HIS H 1 20 HIS HB3 . . 3.550 2.844 2.190 3.162 . 0 0 "[ . 1 . 2]" 1
417 1 20 HIS H 1 20 HIS HD2 . . 5.080 2.285 1.864 3.567 . 0 0 "[ . 1 . 2]" 1
418 1 20 HIS H 1 21 PHE H . . 4.820 4.065 3.198 4.549 . 0 0 "[ . 1 . 2]" 1
419 1 20 HIS HA 1 21 PHE H . . 3.460 2.363 2.197 3.240 . 0 0 "[ . 1 . 2]" 1
420 1 20 HIS HA 1 22 GLY H . . 4.930 4.436 3.896 4.991 0.061 7 0 "[ . 1 . 2]" 1
421 1 20 HIS HB2 1 21 PHE H . . 4.570 4.003 3.238 4.608 0.038 11 0 "[ . 1 . 2]" 1
422 1 20 HIS HB3 1 21 PHE H . . 4.770 4.517 4.025 4.737 . 0 0 "[ . 1 . 2]" 1
423 1 20 HIS HD2 1 88 ARG HD2 . . 5.370 5.081 4.274 5.447 0.077 15 0 "[ . 1 . 2]" 1
424 1 21 PHE H 1 21 PHE HB2 . . 4.030 2.605 2.365 2.902 . 0 0 "[ . 1 . 2]" 1
425 1 21 PHE H 1 21 PHE HB3 . . 3.640 3.686 3.564 3.724 0.084 15 0 "[ . 1 . 2]" 1
426 1 21 PHE H 1 21 PHE QD . . 3.610 3.275 2.817 3.695 0.085 9 0 "[ . 1 . 2]" 1
427 1 21 PHE H 1 21 PHE QE . . 5.290 4.901 4.143 5.334 0.044 2 0 "[ . 1 . 2]" 1
428 1 21 PHE H 1 22 GLY H . . 3.590 2.730 2.013 3.514 . 0 0 "[ . 1 . 2]" 1
429 1 21 PHE H 1 23 ASN H . . 5.210 5.022 4.657 5.283 0.073 13 0 "[ . 1 . 2]" 1
430 1 21 PHE H 1 30 TYR QD . . 5.500 4.920 4.070 5.574 0.074 15 0 "[ . 1 . 2]" 1
431 1 21 PHE HA 1 21 PHE QD . . 3.890 2.456 2.007 2.701 . 0 0 "[ . 1 . 2]" 1
432 1 21 PHE HA 1 23 ASN H . . 4.930 4.110 3.736 4.652 . 0 0 "[ . 1 . 2]" 1
433 1 21 PHE HA 1 88 ARG HE . . 5.110 4.666 3.876 5.181 0.071 13 0 "[ . 1 . 2]" 1
434 1 21 PHE HB2 1 22 GLY H . . 4.380 2.269 1.860 4.407 0.027 17 0 "[ . 1 . 2]" 1
435 1 21 PHE HB2 1 23 ASN H . . 4.160 3.484 2.891 4.239 0.079 17 0 "[ . 1 . 2]" 1
436 1 21 PHE HB2 1 26 GLU HB2 . . 4.100 2.997 2.443 3.640 . 0 0 "[ . 1 . 2]" 1
437 1 21 PHE HB2 1 26 GLU HB3 . . 4.520 3.264 2.538 4.082 . 0 0 "[ . 1 . 2]" 1
438 1 21 PHE HB2 1 27 ASP H . . 4.730 3.760 3.170 4.107 . 0 0 "[ . 1 . 2]" 1
439 1 21 PHE HB3 1 22 GLY H . . 4.580 3.167 2.604 4.301 . 0 0 "[ . 1 . 2]" 1
440 1 21 PHE HB3 1 23 ASN H . . 4.240 2.968 2.503 3.667 . 0 0 "[ . 1 . 2]" 1
441 1 21 PHE HB3 1 26 GLU HB2 . . 4.220 2.283 2.094 2.700 . 0 0 "[ . 1 . 2]" 1
442 1 21 PHE HB3 1 26 GLU HB3 . . 4.450 2.893 2.303 3.679 . 0 0 "[ . 1 . 2]" 1
443 1 21 PHE QD 1 22 GLY H . . 4.840 4.036 3.700 4.899 0.059 17 0 "[ . 1 . 2]" 1
444 1 21 PHE QD 1 26 GLU HB2 . . 5.100 3.699 3.187 4.051 . 0 0 "[ . 1 . 2]" 1
445 1 21 PHE QD 1 26 GLU HB3 . . 4.710 3.109 2.694 3.542 . 0 0 "[ . 1 . 2]" 1
446 1 21 PHE QD 1 27 ASP H . . 4.830 4.848 4.298 4.935 0.105 1 0 "[ . 1 . 2]" 1
447 1 21 PHE QD 1 27 ASP HA . . 4.120 3.823 2.942 4.209 0.089 11 0 "[ . 1 . 2]" 1
448 1 21 PHE QD 1 85 ILE MD . . 4.770 3.867 3.135 4.308 . 0 0 "[ . 1 . 2]" 1
449 1 21 PHE QE 1 30 TYR HB2 . . 4.150 2.736 2.294 3.035 . 0 0 "[ . 1 . 2]" 1
450 1 21 PHE QE 1 30 TYR HB3 . . 4.270 3.600 3.177 3.961 . 0 0 "[ . 1 . 2]" 1
451 1 21 PHE QE 1 30 TYR QD . . 3.960 2.967 2.809 3.149 . 0 0 "[ . 1 . 2]" 1
452 1 21 PHE QE 1 85 ILE HA . . 3.950 3.319 2.839 3.777 . 0 0 "[ . 1 . 2]" 1
453 1 21 PHE QE 1 85 ILE HB . . 5.500 5.101 4.881 5.538 0.038 8 0 "[ . 1 . 2]" 1
454 1 21 PHE QE 1 85 ILE MD . . 3.630 3.455 2.736 3.732 0.102 10 0 "[ . 1 . 2]" 1
455 1 21 PHE QE 1 85 ILE MG . . 3.570 2.390 2.158 2.900 . 0 0 "[ . 1 . 2]" 1
456 1 21 PHE QE 1 88 ARG HB2 . . 4.110 2.920 2.538 3.524 . 0 0 "[ . 1 . 2]" 1
457 1 21 PHE QE 1 88 ARG HB3 . . 4.120 2.921 2.296 3.257 . 0 0 "[ . 1 . 2]" 1
458 1 21 PHE QE 1 88 ARG HD2 . . 4.300 3.540 2.922 4.147 . 0 0 "[ . 1 . 2]" 1
459 1 21 PHE QE 1 88 ARG HD3 . . 4.380 3.723 2.343 4.470 0.090 11 0 "[ . 1 . 2]" 1
460 1 21 PHE QE 1 88 ARG HE . . 4.140 2.779 2.131 3.514 . 0 0 "[ . 1 . 2]" 1
461 1 21 PHE QE 1 88 ARG HG2 . . 4.380 3.779 3.328 4.350 . 0 0 "[ . 1 . 2]" 1
462 1 21 PHE QE 1 88 ARG HG3 . . 4.470 3.090 2.023 4.551 0.081 15 0 "[ . 1 . 2]" 1
463 1 21 PHE HZ 1 30 TYR QD . . 5.020 4.735 4.557 4.840 . 0 0 "[ . 1 . 2]" 1
464 1 21 PHE HZ 1 85 ILE HA . . 4.320 2.648 2.297 3.111 . 0 0 "[ . 1 . 2]" 1
465 1 21 PHE HZ 1 85 ILE MD . . 4.440 4.109 2.708 4.466 0.026 9 0 "[ . 1 . 2]" 1
466 1 21 PHE HZ 1 85 ILE MG . . 3.560 2.506 2.248 3.090 . 0 0 "[ . 1 . 2]" 1
467 1 22 GLY H 1 23 ASN H . . 3.250 2.881 2.457 3.334 0.084 17 0 "[ . 1 . 2]" 1
468 1 23 ASN H 1 23 ASN HB2 . . 3.680 2.472 2.291 2.731 . 0 0 "[ . 1 . 2]" 1
469 1 23 ASN H 1 23 ASN HD21 . . 4.580 3.757 3.226 4.141 . 0 0 "[ . 1 . 2]" 1
470 1 23 ASN H 1 23 ASN HD22 . . 4.560 4.372 3.988 4.625 0.065 3 0 "[ . 1 . 2]" 1
471 1 23 ASN H 1 24 ASP H . . 4.140 3.445 3.001 3.937 . 0 0 "[ . 1 . 2]" 1
472 1 23 ASN H 1 26 GLU HB2 . . 4.790 3.362 2.937 3.870 . 0 0 "[ . 1 . 2]" 1
473 1 23 ASN H 1 27 ASP H . . 4.930 3.411 2.801 4.333 . 0 0 "[ . 1 . 2]" 1
474 1 23 ASN HA 1 24 ASP H . . 3.550 3.423 3.335 3.544 . 0 0 "[ . 1 . 2]" 1
475 1 23 ASN HA 1 24 ASP QB . . 4.850 4.805 4.223 4.947 0.097 20 0 "[ . 1 . 2]" 1
476 1 23 ASN HB2 1 23 ASN HD22 . . 3.580 3.543 3.480 3.614 0.034 2 0 "[ . 1 . 2]" 1
477 1 23 ASN HB2 1 24 ASP H . . 3.810 2.077 1.862 2.241 . 0 0 "[ . 1 . 2]" 1
478 1 23 ASN HB2 1 25 TYR H . . 4.490 3.761 3.490 4.001 . 0 0 "[ . 1 . 2]" 1
479 1 23 ASN HB2 1 26 GLU H . . 4.510 3.691 3.372 4.248 . 0 0 "[ . 1 . 2]" 1
480 1 23 ASN HB2 1 26 GLU HB2 . . 4.370 2.953 2.353 3.974 . 0 0 "[ . 1 . 2]" 1
481 1 23 ASN HB2 1 26 GLU HB3 . . 5.410 4.605 4.075 5.491 0.081 7 0 "[ . 1 . 2]" 1
482 1 23 ASN HB3 1 23 ASN HD22 . . 3.720 3.871 3.696 4.039 0.319 7 0 "[ . 1 . 2]" 1
483 1 23 ASN HB3 1 24 ASP H . . 3.900 2.317 2.040 2.900 . 0 0 "[ . 1 . 2]" 1
484 1 23 ASN HB3 1 25 TYR H . . 5.250 4.241 3.999 4.859 . 0 0 "[ . 1 . 2]" 1
485 1 23 ASN HD21 1 26 GLU HB2 . . 4.190 3.311 2.638 3.840 . 0 0 "[ . 1 . 2]" 1
486 1 23 ASN HD21 1 26 GLU HG3 . . 4.690 4.002 3.291 4.757 0.067 7 0 "[ . 1 . 2]" 1
487 1 23 ASN HD22 1 24 ASP H . . 5.500 5.509 5.315 5.584 0.084 8 0 "[ . 1 . 2]" 1
488 1 24 ASP H 1 24 ASP QB . . 3.120 2.464 2.241 2.712 . 0 0 "[ . 1 . 2]" 1
489 1 24 ASP H 1 25 TYR H . . 3.710 2.184 2.081 2.277 . 0 0 "[ . 1 . 2]" 1
490 1 24 ASP H 1 26 GLU H . . 5.500 3.297 3.007 3.556 . 0 0 "[ . 1 . 2]" 1
491 1 24 ASP HA 1 27 ASP H . . 4.640 5.000 4.775 5.224 0.584 7 2 "[ . + 1 . - 2]" 1
492 1 24 ASP HA 1 27 ASP QB . . 3.990 4.183 4.015 4.344 0.354 7 0 "[ . 1 . 2]" 1
493 1 24 ASP QB 1 25 TYR H . . 3.440 2.241 1.982 2.601 . 0 0 "[ . 1 . 2]" 1
494 1 24 ASP QB 1 25 TYR HA . . 4.940 4.012 3.548 4.566 . 0 0 "[ . 1 . 2]" 1
495 1 24 ASP QB 1 27 ASP H . . 5.500 5.249 5.014 5.536 0.036 8 0 "[ . 1 . 2]" 1
496 1 25 TYR H 1 25 TYR HB2 . . 3.490 3.518 2.681 3.590 0.100 15 0 "[ . 1 . 2]" 1
497 1 25 TYR H 1 25 TYR HB3 . . 3.310 3.073 2.406 3.377 0.067 10 0 "[ . 1 . 2]" 1
498 1 25 TYR H 1 25 TYR QD . . 4.230 2.617 2.065 4.206 . 0 0 "[ . 1 . 2]" 1
499 1 25 TYR H 1 26 GLU H . . 2.510 2.245 1.814 2.505 . 0 0 "[ . 1 . 2]" 1
500 1 25 TYR H 1 26 GLU HG3 . . 5.190 3.757 3.199 4.390 . 0 0 "[ . 1 . 2]" 1
501 1 25 TYR H 1 27 ASP H . . 5.110 3.754 3.278 4.191 . 0 0 "[ . 1 . 2]" 1
502 1 25 TYR HA 1 25 TYR QD . . 3.680 3.669 2.760 3.768 0.088 16 0 "[ . 1 . 2]" 1
503 1 25 TYR HA 1 27 ASP H . . 4.300 4.048 3.714 4.328 0.028 5 0 "[ . 1 . 2]" 1
504 1 25 TYR HA 1 28 ARG H . . 4.880 3.838 3.589 4.299 . 0 0 "[ . 1 . 2]" 1
505 1 25 TYR HA 1 28 ARG QB . . 3.980 4.040 3.934 4.084 0.104 11 0 "[ . 1 . 2]" 1
506 1 25 TYR HB2 1 26 GLU H . . 3.530 3.322 2.967 3.761 0.231 6 0 "[ . 1 . 2]" 1
507 1 25 TYR HB3 1 26 GLU H . . 3.910 3.874 2.429 3.989 0.079 19 0 "[ . 1 . 2]" 1
508 1 25 TYR QD 1 26 GLU H . . 4.310 2.732 2.362 3.442 . 0 0 "[ . 1 . 2]" 1
509 1 25 TYR QD 1 26 GLU HA . . 4.250 3.410 3.042 3.973 . 0 0 "[ . 1 . 2]" 1
510 1 25 TYR QD 1 26 GLU HB2 . . 5.500 4.759 4.390 5.323 . 0 0 "[ . 1 . 2]" 1
511 1 25 TYR QD 1 26 GLU HG2 . . 4.370 3.372 2.428 4.420 0.050 6 0 "[ . 1 . 2]" 1
512 1 25 TYR QD 1 26 GLU HG3 . . 3.970 2.862 2.238 3.397 . 0 0 "[ . 1 . 2]" 1
513 1 25 TYR QD 1 81 THR MG . . 5.500 2.857 2.116 3.767 . 0 0 "[ . 1 . 2]" 1
514 1 25 TYR QD 1 85 ILE MD . . 5.480 3.709 3.253 4.179 . 0 0 "[ . 1 . 2]" 1
515 1 25 TYR QE 1 26 GLU HG3 . . 5.450 2.992 2.490 5.516 0.066 6 0 "[ . 1 . 2]" 1
516 1 25 TYR QE 1 81 THR MG . . 5.050 2.285 2.033 3.784 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLU H 1 26 GLU HB2 . . 3.430 2.723 2.515 2.862 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLU H 1 26 GLU HB3 . . 3.910 3.576 3.512 3.628 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLU H 1 26 GLU HG2 . . 3.630 3.179 2.653 3.693 0.063 2 0 "[ . 1 . 2]" 1
520 1 26 GLU H 1 26 GLU HG3 . . 3.510 2.064 1.748 2.476 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLU H 1 27 ASP H . . 3.430 2.899 2.666 3.040 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLU HA 1 26 GLU HG2 . . 3.550 2.964 2.538 3.624 0.074 19 0 "[ . 1 . 2]" 1
523 1 26 GLU HA 1 26 GLU HG3 . . 4.000 3.070 2.653 3.451 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLU HA 1 27 ASP QB . . 5.500 5.029 4.960 5.100 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU HA 1 29 TYR H . . 4.310 3.745 3.357 4.105 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLU HA 1 29 TYR HB2 . . 4.060 3.895 3.577 4.121 0.061 19 0 "[ . 1 . 2]" 1
527 1 26 GLU HA 1 29 TYR HB3 . . 3.740 2.338 2.133 2.609 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU HA 1 29 TYR QD . . 5.200 3.244 2.359 3.918 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLU HA 1 30 TYR H . . 4.030 2.849 2.393 3.243 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLU HA 1 81 THR MG . . 4.940 4.458 3.584 5.034 0.094 10 0 "[ . 1 . 2]" 1
531 1 26 GLU HA 1 85 ILE MD . . 3.830 2.533 2.201 2.870 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLU HA 1 85 ILE MG . . 4.640 4.712 4.550 4.751 0.111 15 0 "[ . 1 . 2]" 1
533 1 26 GLU HB2 1 27 ASP H . . 3.810 2.784 2.433 3.264 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLU HB3 1 27 ASP H . . 4.280 3.877 3.521 4.261 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLU HB3 1 85 ILE MD . . 4.240 2.629 2.166 3.228 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLU HG2 1 81 THR MG . . 4.050 3.361 2.708 4.124 0.074 7 0 "[ . 1 . 2]" 1
537 1 26 GLU HG2 1 85 ILE MD . . 3.650 2.365 2.038 2.998 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLU HG3 1 81 THR MG . . 4.670 3.784 2.536 4.662 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLU HG3 1 85 ILE MD . . 4.400 3.312 2.263 3.943 . 0 0 "[ . 1 . 2]" 1
540 1 27 ASP H 1 27 ASP QB . . 3.360 2.150 2.040 2.253 . 0 0 "[ . 1 . 2]" 1
541 1 27 ASP QB 1 28 ARG H . . 3.830 2.387 1.872 2.626 . 0 0 "[ . 1 . 2]" 1
542 1 28 ARG H 1 28 ARG QB . . 2.970 2.285 2.046 2.458 . 0 0 "[ . 1 . 2]" 1
543 1 28 ARG H 1 28 ARG QD . . 4.850 4.527 4.218 4.908 0.058 13 0 "[ . 1 . 2]" 1
544 1 28 ARG H 1 28 ARG HG2 . . 4.580 4.479 4.164 4.661 0.081 20 0 "[ . 1 . 2]" 1
545 1 28 ARG H 1 28 ARG HG3 . . 4.260 4.408 4.263 4.633 0.373 7 0 "[ . 1 . 2]" 1
546 1 28 ARG H 1 29 TYR H . . 3.390 2.176 1.977 2.728 . 0 0 "[ . 1 . 2]" 1
547 1 28 ARG H 1 29 TYR HB3 . . 4.890 4.242 3.685 4.935 0.045 14 0 "[ . 1 . 2]" 1
548 1 28 ARG H 1 30 TYR H . . 5.410 3.886 3.547 4.489 . 0 0 "[ . 1 . 2]" 1
549 1 28 ARG H 1 31 ARG HB2 . . 5.500 5.532 5.324 5.590 0.090 14 0 "[ . 1 . 2]" 1
550 1 28 ARG HA 1 28 ARG QD . . 4.610 3.032 2.097 4.379 . 0 0 "[ . 1 . 2]" 1
551 1 28 ARG HA 1 28 ARG HG2 . . 3.950 3.631 3.205 3.980 0.030 17 0 "[ . 1 . 2]" 1
552 1 28 ARG HA 1 28 ARG HG3 . . 3.580 2.838 2.432 3.264 . 0 0 "[ . 1 . 2]" 1
553 1 28 ARG HA 1 31 ARG H . . 4.120 3.286 2.922 3.852 . 0 0 "[ . 1 . 2]" 1
554 1 28 ARG HA 1 31 ARG HB2 . . 3.470 2.861 2.497 3.313 . 0 0 "[ . 1 . 2]" 1
555 1 28 ARG HA 1 31 ARG HB3 . . 4.220 4.240 3.977 4.300 0.080 8 0 "[ . 1 . 2]" 1
556 1 28 ARG HA 1 31 ARG HD2 . . 4.750 4.808 4.601 5.150 0.400 2 0 "[ . 1 . 2]" 1
557 1 28 ARG HA 1 31 ARG HD3 . . 5.090 4.927 4.613 5.161 0.071 8 0 "[ . 1 . 2]" 1
558 1 28 ARG HA 1 32 GLU H . . 4.860 4.302 3.959 4.839 . 0 0 "[ . 1 . 2]" 1
559 1 28 ARG QB 1 28 ARG QD . . 3.250 2.301 2.187 2.460 . 0 0 "[ . 1 . 2]" 1
560 1 28 ARG QB 1 28 ARG HE . . 4.320 3.734 2.421 4.400 0.080 15 0 "[ . 1 . 2]" 1
561 1 28 ARG QB 1 28 ARG HG3 . . 2.720 2.425 2.375 2.482 . 0 0 "[ . 1 . 2]" 1
562 1 28 ARG QB 1 29 TYR H . . 3.460 2.577 2.443 2.801 . 0 0 "[ . 1 . 2]" 1
563 1 28 ARG QD 1 29 TYR H . . 5.160 4.818 4.382 5.043 . 0 0 "[ . 1 . 2]" 1
564 1 28 ARG HE 1 28 ARG HG2 . . 4.150 2.920 2.141 3.603 . 0 0 "[ . 1 . 2]" 1
565 1 28 ARG HE 1 28 ARG HG3 . . 4.040 2.504 2.131 3.433 . 0 0 "[ . 1 . 2]" 1
566 1 28 ARG HG2 1 29 TYR H . . 4.540 4.139 3.158 4.618 0.078 5 0 "[ . 1 . 2]" 1
567 1 28 ARG HG2 1 32 GLU HG3 . . 4.370 3.798 2.509 4.449 0.079 19 0 "[ . 1 . 2]" 1
568 1 28 ARG HG3 1 29 TYR H . . 5.080 4.046 3.436 4.612 . 0 0 "[ . 1 . 2]" 1
569 1 28 ARG HG3 1 32 GLU HG3 . . 4.320 2.847 2.242 3.272 . 0 0 "[ . 1 . 2]" 1
570 1 29 TYR H 1 29 TYR HB2 . . 3.360 2.456 2.312 2.561 . 0 0 "[ . 1 . 2]" 1
571 1 29 TYR H 1 29 TYR HB3 . . 3.480 2.531 2.338 2.664 . 0 0 "[ . 1 . 2]" 1
572 1 29 TYR H 1 29 TYR QD . . 4.340 4.191 4.112 4.252 . 0 0 "[ . 1 . 2]" 1
573 1 29 TYR H 1 30 TYR H . . 3.430 2.917 2.821 3.034 . 0 0 "[ . 1 . 2]" 1
574 1 29 TYR H 1 85 ILE MD . . 5.380 5.206 4.732 5.434 0.054 15 0 "[ . 1 . 2]" 1
575 1 29 TYR HA 1 29 TYR QD . . 3.850 2.844 2.426 3.233 . 0 0 "[ . 1 . 2]" 1
576 1 29 TYR HA 1 32 GLU H . . 4.530 3.660 3.450 3.870 . 0 0 "[ . 1 . 2]" 1
577 1 29 TYR HA 1 32 GLU QB . . 3.820 3.110 2.538 3.751 . 0 0 "[ . 1 . 2]" 1
578 1 29 TYR HA 1 33 ASN HD21 . . 4.400 3.078 2.573 4.471 0.071 20 0 "[ . 1 . 2]" 1
579 1 29 TYR HA 1 33 ASN HD22 . . 4.730 3.791 3.364 4.237 . 0 0 "[ . 1 . 2]" 1
580 1 29 TYR HB2 1 30 TYR H . . 4.230 3.927 3.780 4.200 . 0 0 "[ . 1 . 2]" 1
581 1 29 TYR HB2 1 85 ILE MD . . 4.610 4.803 4.312 5.339 0.729 8 3 "[* . + 1 - 2]" 1
582 1 29 TYR HB3 1 30 TYR H . . 3.800 2.610 2.409 2.980 . 0 0 "[ . 1 . 2]" 1
583 1 29 TYR HB3 1 85 ILE MD . . 4.140 3.471 2.942 3.884 . 0 0 "[ . 1 . 2]" 1
584 1 29 TYR QD 1 30 TYR H . . 4.180 3.472 3.159 3.985 . 0 0 "[ . 1 . 2]" 1
585 1 29 TYR QD 1 30 TYR HA . . 4.230 3.515 2.929 4.320 0.090 8 0 "[ . 1 . 2]" 1
586 1 29 TYR QD 1 33 ASN HD21 . . 3.740 3.298 2.444 3.797 0.057 20 0 "[ . 1 . 2]" 1
587 1 29 TYR QD 1 33 ASN HD22 . . 4.250 3.227 2.471 3.877 . 0 0 "[ . 1 . 2]" 1
588 1 29 TYR QD 1 81 THR MG . . 4.140 3.503 2.740 4.240 0.100 3 0 "[ . 1 . 2]" 1
589 1 29 TYR QD 1 85 ILE MD . . 3.260 2.318 2.060 3.015 . 0 0 "[ . 1 . 2]" 1
590 1 29 TYR QD 1 85 ILE MG . . 4.130 3.936 3.358 4.236 0.106 10 0 "[ . 1 . 2]" 1
591 1 30 TYR H 1 30 TYR HB2 . . 3.370 2.612 2.448 2.701 . 0 0 "[ . 1 . 2]" 1
592 1 30 TYR H 1 30 TYR HB3 . . 3.240 2.411 2.303 2.589 . 0 0 "[ . 1 . 2]" 1
593 1 30 TYR H 1 30 TYR QD . . 4.360 4.195 4.157 4.282 . 0 0 "[ . 1 . 2]" 1
594 1 30 TYR H 1 31 ARG H . . 3.650 2.815 2.655 3.014 . 0 0 "[ . 1 . 2]" 1
595 1 30 TYR H 1 85 ILE MD . . 4.070 3.431 3.034 3.658 . 0 0 "[ . 1 . 2]" 1
596 1 30 TYR HA 1 30 TYR QD . . 3.290 2.240 2.050 2.426 . 0 0 "[ . 1 . 2]" 1
597 1 30 TYR HA 1 30 TYR QE . . 4.880 4.490 4.342 4.621 . 0 0 "[ . 1 . 2]" 1
598 1 30 TYR HA 1 33 ASN H . . 4.520 3.519 3.323 3.788 . 0 0 "[ . 1 . 2]" 1
599 1 30 TYR HA 1 33 ASN HB3 . . 4.840 4.594 4.018 5.029 0.189 15 0 "[ . 1 . 2]" 1
600 1 30 TYR HA 1 37 TYR QE . . 4.290 3.409 2.862 4.361 0.071 15 0 "[ . 1 . 2]" 1
601 1 30 TYR HA 1 85 ILE MD . . 4.050 3.087 2.579 3.449 . 0 0 "[ . 1 . 2]" 1
602 1 30 TYR HA 1 85 ILE MG . . 4.390 2.875 2.560 3.151 . 0 0 "[ . 1 . 2]" 1
603 1 30 TYR HB2 1 31 ARG H . . 4.240 3.854 3.681 3.978 . 0 0 "[ . 1 . 2]" 1
604 1 30 TYR HB2 1 85 ILE MD . . 3.870 2.332 2.178 2.533 . 0 0 "[ . 1 . 2]" 1
605 1 30 TYR HB2 1 85 ILE MG . . 3.830 2.755 2.528 2.973 . 0 0 "[ . 1 . 2]" 1
606 1 30 TYR HB3 1 31 ARG H . . 3.800 2.429 2.177 2.593 . 0 0 "[ . 1 . 2]" 1
607 1 30 TYR HB3 1 85 ILE MG . . 4.260 4.113 3.920 4.331 0.071 4 0 "[ . 1 . 2]" 1
608 1 30 TYR QD 1 31 ARG H . . 4.180 3.692 3.375 3.964 . 0 0 "[ . 1 . 2]" 1
609 1 30 TYR QD 1 31 ARG HA . . 4.580 4.112 3.736 4.410 . 0 0 "[ . 1 . 2]" 1
610 1 30 TYR QD 1 31 ARG HG3 . . 5.500 4.985 3.477 5.583 0.083 18 0 "[ . 1 . 2]" 1
611 1 30 TYR QD 1 34 MET HA . . 4.700 3.500 3.086 3.845 . 0 0 "[ . 1 . 2]" 1
612 1 30 TYR QD 1 34 MET HB2 . . 4.940 4.333 3.849 5.697 0.757 6 3 "[ *.+ -1 . 2]" 1
613 1 30 TYR QD 1 34 MET ME . . 4.410 3.944 3.679 4.268 . 0 0 "[ . 1 . 2]" 1
614 1 30 TYR QD 1 37 TYR QD . . 4.160 3.721 3.244 4.090 . 0 0 "[ . 1 . 2]" 1
615 1 30 TYR QD 1 37 TYR QE . . 3.600 2.154 2.013 2.457 . 0 0 "[ . 1 . 2]" 1
616 1 30 TYR QD 1 85 ILE MD . . 4.200 3.546 3.381 3.752 . 0 0 "[ . 1 . 2]" 1
617 1 30 TYR QD 1 85 ILE MG . . 3.280 2.221 2.037 2.556 . 0 0 "[ . 1 . 2]" 1
618 1 30 TYR QD 1 89 VAL QG . . 4.060 3.651 3.405 3.962 . 0 0 "[ . 1 . 2]" 1
619 1 30 TYR QE 1 34 MET HA . . 4.120 3.167 2.579 3.882 . 0 0 "[ . 1 . 2]" 1
620 1 30 TYR QE 1 34 MET HB2 . . 4.870 3.205 2.601 5.565 0.695 6 1 "[ .+ 1 . 2]" 1
621 1 30 TYR QE 1 34 MET ME . . 3.520 2.870 2.309 3.115 . 0 0 "[ . 1 . 2]" 1
622 1 30 TYR QE 1 34 MET QG . . 4.770 4.194 3.161 4.529 . 0 0 "[ . 1 . 2]" 1
623 1 30 TYR QE 1 37 TYR QD . . 3.090 2.515 2.145 3.034 . 0 0 "[ . 1 . 2]" 1
624 1 30 TYR QE 1 37 TYR QE . . 3.280 2.887 2.111 3.363 0.083 9 0 "[ . 1 . 2]" 1
625 1 30 TYR QE 1 85 ILE MD . . 5.050 5.159 5.136 5.179 0.129 15 0 "[ . 1 . 2]" 1
626 1 30 TYR QE 1 85 ILE MG . . 4.490 3.195 2.982 3.345 . 0 0 "[ . 1 . 2]" 1
627 1 30 TYR QE 1 89 VAL QG . . 3.320 2.266 2.043 2.639 . 0 0 "[ . 1 . 2]" 1
628 1 30 TYR HH 1 34 MET ME . . 4.630 2.978 2.601 3.407 . 0 0 "[ . 1 . 2]" 1
629 1 31 ARG H 1 31 ARG HB2 . . 3.190 2.600 1.932 2.738 . 0 0 "[ . 1 . 2]" 1
630 1 31 ARG H 1 31 ARG HB3 . . 3.670 3.564 3.288 3.622 . 0 0 "[ . 1 . 2]" 1
631 1 31 ARG H 1 31 ARG HD2 . . 4.600 4.456 3.997 4.667 0.067 3 0 "[ . 1 . 2]" 1
632 1 31 ARG H 1 31 ARG HD3 . . 4.280 3.880 3.237 4.659 0.379 10 0 "[ . 1 . 2]" 1
633 1 31 ARG H 1 31 ARG HG2 . . 4.300 2.145 1.847 4.251 . 0 0 "[ . 1 . 2]" 1
634 1 31 ARG H 1 31 ARG HG3 . . 3.270 3.091 2.067 3.351 0.081 2 0 "[ . 1 . 2]" 1
635 1 31 ARG H 1 32 GLU H . . 3.490 2.848 2.702 3.020 . 0 0 "[ . 1 . 2]" 1
636 1 31 ARG HA 1 31 ARG HD2 . . 4.870 3.480 2.559 4.411 . 0 0 "[ . 1 . 2]" 1
637 1 31 ARG HA 1 31 ARG HD3 . . 4.930 3.139 2.547 4.371 . 0 0 "[ . 1 . 2]" 1
638 1 31 ARG HA 1 31 ARG HG2 . . 3.550 2.945 2.319 3.301 . 0 0 "[ . 1 . 2]" 1
639 1 31 ARG HA 1 31 ARG HG3 . . 3.870 3.779 2.436 3.942 0.072 20 0 "[ . 1 . 2]" 1
640 1 31 ARG HA 1 33 ASN H . . 4.960 4.413 3.934 5.000 0.040 19 0 "[ . 1 . 2]" 1
641 1 31 ARG HA 1 34 MET ME . . 4.500 3.607 3.110 3.809 . 0 0 "[ . 1 . 2]" 1
642 1 31 ARG HA 1 34 MET QG . . 4.480 2.959 2.137 3.859 . 0 0 "[ . 1 . 2]" 1
643 1 31 ARG HB2 1 31 ARG HD3 . . 4.290 3.908 2.765 4.077 . 0 0 "[ . 1 . 2]" 1
644 1 31 ARG HB2 1 31 ARG HG3 . . 2.400 2.262 2.175 2.478 0.078 10 0 "[ . 1 . 2]" 1
645 1 31 ARG HB2 1 32 GLU H . . 3.330 2.637 2.285 3.089 . 0 0 "[ . 1 . 2]" 1
646 1 31 ARG HB2 1 33 ASN H . . 4.970 4.936 4.776 5.066 0.096 10 0 "[ . 1 . 2]" 1
647 1 31 ARG HB3 1 31 ARG HD2 . . 3.420 2.356 2.098 3.341 . 0 0 "[ . 1 . 2]" 1
648 1 31 ARG HB3 1 31 ARG HD3 . . 3.640 3.158 2.363 3.476 . 0 0 "[ . 1 . 2]" 1
649 1 31 ARG HB3 1 31 ARG HG2 . . 3.040 2.974 2.476 3.068 0.028 9 0 "[ . 1 . 2]" 1
650 1 31 ARG HD2 1 34 MET ME . . 5.300 5.125 3.948 5.405 0.105 6 0 "[ . 1 . 2]" 1
651 1 31 ARG HD3 1 34 MET ME . . 4.900 4.458 3.744 5.374 0.474 10 0 "[ . 1 . 2]" 1
652 1 31 ARG HE 1 31 ARG HG3 . . 3.950 2.757 2.237 3.295 . 0 0 "[ . 1 . 2]" 1
653 1 31 ARG HG2 1 32 GLU H . . 5.050 4.335 3.963 4.980 . 0 0 "[ . 1 . 2]" 1
654 1 32 GLU H 1 32 GLU QB . . 3.250 2.403 2.252 2.544 . 0 0 "[ . 1 . 2]" 1
655 1 32 GLU H 1 32 GLU HG2 . . 3.790 3.214 2.124 3.686 . 0 0 "[ . 1 . 2]" 1
656 1 32 GLU H 1 32 GLU HG3 . . 3.500 2.621 2.236 3.559 0.059 19 0 "[ . 1 . 2]" 1
657 1 32 GLU H 1 33 ASN H . . 3.260 2.536 2.262 2.747 . 0 0 "[ . 1 . 2]" 1
658 1 32 GLU H 1 33 ASN HB2 . . 4.870 4.739 4.320 5.794 0.924 15 1 "[ . 1 + 2]" 1
659 1 32 GLU H 1 33 ASN HD21 . . 4.950 4.055 3.556 4.817 . 0 0 "[ . 1 . 2]" 1
660 1 32 GLU HA 1 32 GLU HG2 . . 3.390 2.466 2.211 3.058 . 0 0 "[ . 1 . 2]" 1
661 1 32 GLU HA 1 32 GLU HG3 . . 3.890 3.275 2.804 3.810 . 0 0 "[ . 1 . 2]" 1
662 1 32 GLU QB 1 33 ASN H . . 3.540 2.963 2.305 3.475 . 0 0 "[ . 1 . 2]" 1
663 1 32 GLU QB 1 33 ASN HD21 . . 4.120 3.036 2.329 4.046 . 0 0 "[ . 1 . 2]" 1
664 1 32 GLU QB 1 33 ASN HD22 . . 4.180 3.575 2.831 4.258 0.078 15 0 "[ . 1 . 2]" 1
665 1 32 GLU HG3 1 33 ASN H . . 4.590 4.603 4.393 4.684 0.094 14 0 "[ . 1 . 2]" 1
666 1 33 ASN H 1 33 ASN HB2 . . 4.100 2.521 2.320 3.658 . 0 0 "[ . 1 . 2]" 1
667 1 33 ASN H 1 33 ASN HB3 . . 3.580 3.618 3.168 3.667 0.087 20 0 "[ . 1 . 2]" 1
668 1 33 ASN H 1 33 ASN HD21 . . 3.820 2.800 2.341 3.458 . 0 0 "[ . 1 . 2]" 1
669 1 33 ASN H 1 33 ASN HD22 . . 4.400 4.144 3.670 4.467 0.067 18 0 "[ . 1 . 2]" 1
670 1 33 ASN H 1 34 MET H . . 2.930 2.346 2.048 2.770 . 0 0 "[ . 1 . 2]" 1
671 1 33 ASN H 1 34 MET HB3 . . 4.640 4.579 4.007 5.607 0.967 6 3 "[ -.+ *1 . 2]" 1
672 1 33 ASN HA 1 35 TYR H . . 4.740 3.784 3.569 4.452 . 0 0 "[ . 1 . 2]" 1
673 1 33 ASN HA 1 35 TYR QE . . 4.790 2.467 2.090 3.392 . 0 0 "[ . 1 . 2]" 1
674 1 33 ASN HB2 1 36 ARG HD3 . . 5.060 4.467 3.589 5.131 0.071 8 0 "[ . 1 . 2]" 1
675 1 33 ASN HB2 1 37 TYR QE . . 4.800 3.719 2.771 4.879 0.079 3 0 "[ . 1 . 2]" 1
676 1 33 ASN HB3 1 36 ARG HD3 . . 5.500 2.972 2.125 4.069 . 0 0 "[ . 1 . 2]" 1
677 1 33 ASN HD21 1 34 MET H . . 4.900 4.882 4.698 4.965 0.065 3 0 "[ . 1 . 2]" 1
678 1 34 MET H 1 34 MET HB2 . . 3.640 3.438 2.707 3.608 . 0 0 "[ . 1 . 2]" 1
679 1 34 MET H 1 34 MET HB3 . . 3.750 2.582 2.273 3.569 . 0 0 "[ . 1 . 2]" 1
680 1 34 MET H 1 34 MET ME . . 4.640 4.415 4.208 4.635 . 0 0 "[ . 1 . 2]" 1
681 1 34 MET H 1 34 MET QG . . 3.490 2.269 1.879 2.538 . 0 0 "[ . 1 . 2]" 1
682 1 34 MET H 1 35 TYR H . . 3.760 2.925 2.776 3.060 . 0 0 "[ . 1 . 2]" 1
683 1 34 MET HA 1 34 MET ME . . 4.410 4.034 3.440 4.304 . 0 0 "[ . 1 . 2]" 1
684 1 34 MET HA 1 34 MET QG . . 3.800 3.199 2.416 3.365 . 0 0 "[ . 1 . 2]" 1
685 1 34 MET HA 1 36 ARG H . . 5.470 3.905 3.483 4.317 . 0 0 "[ . 1 . 2]" 1
686 1 34 MET HA 1 37 TYR H . . 4.850 4.199 3.197 4.923 0.073 1 0 "[ . 1 . 2]" 1
687 1 34 MET HA 1 37 TYR HB2 . . 5.500 3.636 2.829 4.059 . 0 0 "[ . 1 . 2]" 1
688 1 34 MET HA 1 37 TYR HB3 . . 4.750 4.881 4.147 5.236 0.486 4 0 "[ . 1 . 2]" 1
689 1 34 MET HA 1 37 TYR QD . . 3.470 2.271 2.021 2.683 . 0 0 "[ . 1 . 2]" 1
690 1 34 MET HA 1 37 TYR QE . . 4.290 2.765 2.136 3.453 . 0 0 "[ . 1 . 2]" 1
691 1 34 MET HB2 1 34 MET ME . . 2.400 2.233 1.982 3.105 0.705 4 3 "[ +.- *1 . 2]" 1
692 1 34 MET HB2 1 34 MET QG . . 2.780 2.373 2.234 2.549 . 0 0 "[ . 1 . 2]" 1
693 1 34 MET HB2 1 35 TYR H . . 4.190 3.792 2.461 4.228 0.038 11 0 "[ . 1 . 2]" 1
694 1 34 MET HB2 1 37 TYR QE . . 5.230 4.479 3.855 5.662 0.432 9 0 "[ . 1 . 2]" 1
695 1 34 MET HB3 1 34 MET ME . . 3.010 2.513 1.904 2.980 . 0 0 "[ . 1 . 2]" 1
696 1 34 MET HB3 1 35 TYR H . . 4.080 4.059 3.568 4.166 0.086 19 0 "[ . 1 . 2]" 1
697 1 34 MET HB3 1 37 TYR QD . . 5.410 3.799 3.335 4.172 . 0 0 "[ . 1 . 2]" 1
698 1 34 MET ME 1 34 MET QG . . 2.690 2.410 2.204 2.610 . 0 0 "[ . 1 . 2]" 1
699 1 34 MET ME 1 35 TYR H . . 4.900 5.011 4.979 5.028 0.128 6 0 "[ . 1 . 2]" 1
700 1 34 MET ME 1 37 TYR QD . . 4.410 4.515 4.395 4.544 0.134 13 0 "[ . 1 . 2]" 1
701 1 34 MET ME 1 89 VAL QG . . 4.660 3.910 3.623 4.176 . 0 0 "[ . 1 . 2]" 1
702 1 34 MET QG 1 35 TYR H . . 4.510 2.671 2.210 3.857 . 0 0 "[ . 1 . 2]" 1
703 1 34 MET QG 1 37 TYR QD . . 5.230 4.690 3.973 5.087 . 0 0 "[ . 1 . 2]" 1
704 1 35 TYR H 1 35 TYR HB2 . . 3.650 3.606 3.535 3.703 0.053 19 0 "[ . 1 . 2]" 1
705 1 35 TYR H 1 35 TYR HB3 . . 3.570 2.449 2.361 2.557 . 0 0 "[ . 1 . 2]" 1
706 1 35 TYR H 1 35 TYR QD . . 3.230 2.158 1.957 2.357 . 0 0 "[ . 1 . 2]" 1
707 1 35 TYR H 1 35 TYR QE . . 4.260 4.310 4.194 4.352 0.092 19 0 "[ . 1 . 2]" 1
708 1 35 TYR H 1 36 ARG H . . 2.630 2.711 2.683 2.723 0.093 6 0 "[ . 1 . 2]" 1
709 1 35 TYR HA 1 35 TYR QD . . 3.970 3.769 3.726 3.807 . 0 0 "[ . 1 . 2]" 1
710 1 35 TYR HA 1 37 TYR H . . 4.950 3.922 3.704 4.396 . 0 0 "[ . 1 . 2]" 1
711 1 35 TYR HB2 1 36 ARG H . . 5.250 4.067 3.824 4.339 . 0 0 "[ . 1 . 2]" 1
712 1 35 TYR QD 1 36 ARG H . . 4.440 3.029 2.081 3.634 . 0 0 "[ . 1 . 2]" 1
713 1 35 TYR QE 1 36 ARG H . . 5.500 4.021 3.691 4.629 . 0 0 "[ . 1 . 2]" 1
714 1 35 TYR QE 1 36 ARG HD2 . . 4.380 4.279 3.824 4.466 0.086 7 0 "[ . 1 . 2]" 1
715 1 36 ARG H 1 36 ARG HB2 . . 3.640 3.713 3.626 3.813 0.173 8 0 "[ . 1 . 2]" 1
716 1 36 ARG H 1 36 ARG HB3 . . 4.110 2.924 2.446 3.355 . 0 0 "[ . 1 . 2]" 1
717 1 36 ARG H 1 36 ARG HD2 . . 4.860 4.593 3.779 4.900 0.040 8 0 "[ . 1 . 2]" 1
718 1 36 ARG H 1 36 ARG HD3 . . 4.440 4.389 3.715 4.522 0.082 5 0 "[ . 1 . 2]" 1
719 1 36 ARG H 1 36 ARG HG2 . . 3.710 2.365 1.971 2.878 . 0 0 "[ . 1 . 2]" 1
720 1 36 ARG H 1 36 ARG HG3 . . 3.580 2.675 2.151 3.790 0.210 20 0 "[ . 1 . 2]" 1
721 1 36 ARG H 1 37 TYR H . . 3.290 2.874 2.456 3.331 0.041 14 0 "[ . 1 . 2]" 1
722 1 36 ARG HA 1 36 ARG HD2 . . 5.500 4.802 4.563 5.106 . 0 0 "[ . 1 . 2]" 1
723 1 36 ARG HA 1 36 ARG HD3 . . 5.500 5.450 4.672 5.554 0.054 4 0 "[ . 1 . 2]" 1
724 1 36 ARG HA 1 36 ARG HG2 . . 3.620 3.843 3.633 4.010 0.390 7 0 "[ . 1 . 2]" 1
725 1 36 ARG HA 1 36 ARG HG3 . . 4.170 3.668 3.594 3.704 . 0 0 "[ . 1 . 2]" 1
726 1 36 ARG HB2 1 36 ARG HE . . 4.440 2.735 2.101 4.477 0.037 20 0 "[ . 1 . 2]" 1
727 1 36 ARG HB2 1 37 TYR H . . 4.840 4.403 4.078 4.550 . 0 0 "[ . 1 . 2]" 1
728 1 36 ARG HB3 1 36 ARG HD2 . . 3.920 2.809 2.244 3.226 . 0 0 "[ . 1 . 2]" 1
729 1 36 ARG HB3 1 36 ARG HD3 . . 4.220 3.713 2.183 4.106 . 0 0 "[ . 1 . 2]" 1
730 1 36 ARG HB3 1 36 ARG HE . . 4.040 3.943 3.522 4.507 0.467 3 0 "[ . 1 . 2]" 1
731 1 36 ARG HB3 1 37 TYR H . . 4.940 4.579 4.155 4.727 . 0 0 "[ . 1 . 2]" 1
732 1 36 ARG HD3 1 36 ARG HH22 . . 4.590 4.743 4.441 5.252 0.662 4 2 "[ +. - . 2]" 1
733 1 36 ARG HE 1 36 ARG HG2 . . 3.900 3.611 2.408 3.831 . 0 0 "[ . 1 . 2]" 1
734 1 36 ARG HE 1 37 TYR QD . . 3.800 3.858 3.678 3.893 0.093 17 0 "[ . 1 . 2]" 1
735 1 36 ARG HG2 1 37 TYR H . . 5.490 4.462 2.581 5.434 . 0 0 "[ . 1 . 2]" 1
736 1 37 TYR H 1 37 TYR HB2 . . 3.570 2.445 2.146 2.766 . 0 0 "[ . 1 . 2]" 1
737 1 37 TYR H 1 37 TYR QD . . 3.980 3.559 3.158 4.051 0.071 8 0 "[ . 1 . 2]" 1
738 1 37 TYR H 1 38 PRO HD2 . . 5.030 4.877 4.785 5.087 0.057 11 0 "[ . 1 . 2]" 1
739 1 37 TYR H 1 38 PRO HD3 . . 5.380 5.205 4.837 5.402 0.022 10 0 "[ . 1 . 2]" 1
740 1 37 TYR HA 1 37 TYR QD . . 4.030 2.145 2.000 2.395 . 0 0 "[ . 1 . 2]" 1
741 1 37 TYR HA 1 38 PRO HD3 . . 4.020 2.584 2.263 2.731 . 0 0 "[ . 1 . 2]" 1
742 1 37 TYR HB2 1 38 PRO HD3 . . 4.640 4.644 4.156 4.720 0.080 2 0 "[ . 1 . 2]" 1
743 1 37 TYR HB2 1 89 VAL QG . . 4.490 3.655 3.208 4.243 . 0 0 "[ . 1 . 2]" 1
744 1 37 TYR HB3 1 38 PRO HD3 . . 4.000 3.401 2.921 3.520 . 0 0 "[ . 1 . 2]" 1
745 1 37 TYR HB3 1 89 VAL QG . . 4.330 3.269 2.894 3.937 . 0 0 "[ . 1 . 2]" 1
746 1 37 TYR HB3 1 90 VAL QG . . 4.690 4.339 3.859 4.694 0.004 1 0 "[ . 1 . 2]" 1
747 1 37 TYR QD 1 38 PRO HD3 . . 4.440 3.828 3.043 4.304 . 0 0 "[ . 1 . 2]" 1
748 1 37 TYR QD 1 78 PHE QD . . 4.860 4.611 4.100 4.965 0.105 15 0 "[ . 1 . 2]" 1
749 1 37 TYR QD 1 85 ILE MG . . 4.630 3.710 3.197 4.123 . 0 0 "[ . 1 . 2]" 1
750 1 37 TYR QD 1 86 MET HA . . 4.620 3.987 3.682 4.319 . 0 0 "[ . 1 . 2]" 1
751 1 37 TYR QD 1 86 MET QB . . 4.520 3.102 2.370 3.874 . 0 0 "[ . 1 . 2]" 1
752 1 37 TYR QD 1 86 MET ME . . 4.310 4.119 3.756 4.426 0.116 15 0 "[ . 1 . 2]" 1
753 1 37 TYR QD 1 86 MET HG3 . . 5.380 4.767 3.887 5.447 0.067 18 0 "[ . 1 . 2]" 1
754 1 37 TYR QD 1 89 VAL QG . . 4.250 3.021 2.468 3.422 . 0 0 "[ . 1 . 2]" 1
755 1 37 TYR QD 1 93 MET ME . . 5.500 5.588 5.294 5.649 0.149 13 0 "[ . 1 . 2]" 1
756 1 37 TYR QE 1 78 PHE QD . . 3.980 3.807 3.155 4.085 0.105 3 0 "[ . 1 . 2]" 1
757 1 37 TYR QE 1 82 ASP HA . . 4.360 3.619 2.934 4.459 0.099 17 0 "[ . 1 . 2]" 1
758 1 37 TYR QE 1 82 ASP HB3 . . 4.480 3.473 2.393 4.577 0.097 17 0 "[ . 1 . 2]" 1
759 1 37 TYR QE 1 85 ILE MD . . 4.690 4.070 3.516 4.656 . 0 0 "[ . 1 . 2]" 1
760 1 37 TYR QE 1 85 ILE MG . . 3.650 2.334 1.988 2.885 . 0 0 "[ . 1 . 2]" 1
761 1 37 TYR QE 1 86 MET HA . . 5.220 4.274 3.389 4.857 . 0 0 "[ . 1 . 2]" 1
762 1 37 TYR QE 1 86 MET ME . . 4.320 4.161 3.452 4.448 0.128 4 0 "[ . 1 . 2]" 1
763 1 38 PRO HA 1 39 ASN H . . 3.050 2.292 2.218 2.352 . 0 0 "[ . 1 . 2]" 1
764 1 38 PRO HA 1 40 GLN H . . 3.870 3.797 3.494 3.944 0.074 9 0 "[ . 1 . 2]" 1
765 1 38 PRO HB2 1 39 ASN H . . 4.260 2.950 2.650 3.310 . 0 0 "[ . 1 . 2]" 1
766 1 38 PRO HB2 1 40 GLN H . . 3.680 2.415 2.052 2.982 . 0 0 "[ . 1 . 2]" 1
767 1 38 PRO HB2 1 63 THR MG . . 3.690 3.684 3.411 3.798 0.108 4 0 "[ . 1 . 2]" 1
768 1 38 PRO HB2 1 90 VAL QG . . 3.950 3.684 2.814 3.985 0.035 4 0 "[ . 1 . 2]" 1
769 1 38 PRO HB3 1 39 ASN H . . 4.160 3.562 2.964 3.930 . 0 0 "[ . 1 . 2]" 1
770 1 38 PRO HB3 1 40 GLN H . . 4.010 3.783 2.488 4.077 0.067 9 0 "[ . 1 . 2]" 1
771 1 38 PRO HB3 1 63 THR MG . . 4.230 3.957 3.564 4.197 . 0 0 "[ . 1 . 2]" 1
772 1 38 PRO HB3 1 90 VAL QG . . 4.580 4.294 3.801 4.537 . 0 0 "[ . 1 . 2]" 1
773 1 38 PRO HB3 1 93 MET ME . . 4.640 4.404 3.479 4.749 0.109 12 0 "[ . 1 . 2]" 1
774 1 38 PRO HD2 1 86 MET HA . . 4.520 4.230 3.701 4.574 0.054 10 0 "[ . 1 . 2]" 1
775 1 38 PRO HD2 1 90 VAL QG . . 4.240 3.410 2.832 3.828 . 0 0 "[ . 1 . 2]" 1
776 1 38 PRO HD2 1 93 MET ME . . 5.110 4.043 3.561 4.583 . 0 0 "[ . 1 . 2]" 1
777 1 38 PRO HD3 1 90 VAL QG . . 4.560 4.117 3.688 4.533 . 0 0 "[ . 1 . 2]" 1
778 1 38 PRO HD3 1 93 MET ME . . 5.500 4.986 4.639 5.497 . 0 0 "[ . 1 . 2]" 1
779 1 38 PRO HG2 1 93 MET ME . . 3.460 2.648 2.154 3.565 0.105 11 0 "[ . 1 . 2]" 1
780 1 38 PRO HG3 1 90 VAL QG . . 4.120 2.735 2.297 3.556 . 0 0 "[ . 1 . 2]" 1
781 1 38 PRO HG3 1 93 MET ME . . 4.500 4.041 3.627 4.576 0.076 11 0 "[ . 1 . 2]" 1
782 1 39 ASN H 1 40 GLN H . . 3.120 2.242 1.851 2.661 . 0 0 "[ . 1 . 2]" 1
783 1 39 ASN H 1 93 MET ME . . 4.620 3.925 3.412 4.290 . 0 0 "[ . 1 . 2]" 1
784 1 39 ASN HA 1 93 MET ME . . 3.780 2.728 2.216 3.023 . 0 0 "[ . 1 . 2]" 1
785 1 39 ASN HB2 1 93 MET ME . . 4.970 4.786 3.928 5.062 0.092 1 0 "[ . 1 . 2]" 1
786 1 39 ASN HB3 1 93 MET ME . . 4.970 4.798 4.240 5.050 0.080 9 0 "[ . 1 . 2]" 1
787 1 40 GLN H 1 40 GLN HB2 . . 3.900 3.201 2.661 3.884 . 0 0 "[ . 1 . 2]" 1
788 1 40 GLN H 1 40 GLN HG2 . . 4.210 3.538 2.615 4.278 0.068 11 0 "[ . 1 . 2]" 1
789 1 40 GLN H 1 40 GLN HG3 . . 4.250 3.083 2.676 4.308 0.058 12 0 "[ . 1 . 2]" 1
790 1 40 GLN H 1 41 VAL H . . 4.970 4.302 4.178 4.486 . 0 0 "[ . 1 . 2]" 1
791 1 40 GLN H 1 93 MET ME . . 3.820 3.032 2.378 3.783 . 0 0 "[ . 1 . 2]" 1
792 1 40 GLN HA 1 40 GLN HG2 . . 3.840 3.013 2.051 3.663 . 0 0 "[ . 1 . 2]" 1
793 1 40 GLN HA 1 40 GLN HG3 . . 4.210 3.519 2.161 3.923 . 0 0 "[ . 1 . 2]" 1
794 1 40 GLN HA 1 41 VAL H . . 3.280 2.572 2.404 2.711 . 0 0 "[ . 1 . 2]" 1
795 1 40 GLN HA 1 41 VAL QG . . 4.460 3.182 2.744 3.806 . 0 0 "[ . 1 . 2]" 1
796 1 40 GLN HA 1 93 MET ME . . 4.210 3.718 3.244 4.078 . 0 0 "[ . 1 . 2]" 1
797 1 40 GLN HB2 1 40 GLN HE21 . . 4.230 3.083 2.050 3.865 . 0 0 "[ . 1 . 2]" 1
798 1 40 GLN HB2 1 40 GLN HE22 . . 5.260 4.134 3.551 4.528 . 0 0 "[ . 1 . 2]" 1
799 1 40 GLN HB2 1 40 GLN HG2 . . 3.000 2.994 2.853 3.037 0.037 6 0 "[ . 1 . 2]" 1
800 1 40 GLN HB2 1 40 GLN HG3 . . 2.840 2.431 2.111 2.645 . 0 0 "[ . 1 . 2]" 1
801 1 40 GLN HB2 1 41 VAL H . . 4.180 2.923 1.893 4.295 0.115 12 0 "[ . 1 . 2]" 1
802 1 40 GLN HB3 1 40 GLN HE21 . . 4.050 2.471 1.960 3.487 . 0 0 "[ . 1 . 2]" 1
803 1 40 GLN HB3 1 40 GLN HE22 . . 4.470 3.769 3.508 4.178 . 0 0 "[ . 1 . 2]" 1
804 1 40 GLN HB3 1 40 GLN HG2 . . 2.830 2.488 2.209 2.829 . 0 0 "[ . 1 . 2]" 1
805 1 40 GLN HB3 1 40 GLN HG3 . . 3.010 3.015 2.875 3.044 0.034 2 0 "[ . 1 . 2]" 1
806 1 40 GLN HB3 1 41 VAL H . . 4.860 2.765 2.103 4.024 . 0 0 "[ . 1 . 2]" 1
807 1 40 GLN HG2 1 41 VAL H . . 4.590 4.452 2.704 4.891 0.301 13 0 "[ . 1 . 2]" 1
808 1 41 VAL H 1 41 VAL QG . . 3.330 2.397 2.211 2.541 . 0 0 "[ . 1 . 2]" 1
809 1 41 VAL H 1 42 TYR H . . 4.230 4.287 4.123 4.312 0.082 2 0 "[ . 1 . 2]" 1
810 1 41 VAL H 1 93 MET ME . . 4.770 4.720 4.317 4.849 0.079 8 0 "[ . 1 . 2]" 1
811 1 41 VAL HA 1 63 THR MG . . 3.560 2.101 1.973 2.333 . 0 0 "[ . 1 . 2]" 1
812 1 41 VAL HB 1 42 TYR H . . 3.650 2.592 2.101 3.751 0.101 13 0 "[ . 1 . 2]" 1
813 1 41 VAL HB 1 63 THR HG1 . . 4.300 3.190 2.918 4.390 0.090 13 0 "[ . 1 . 2]" 1
814 1 41 VAL HB 1 63 THR MG . . 3.910 2.767 2.340 3.693 . 0 0 "[ . 1 . 2]" 1
815 1 41 VAL HB 1 90 VAL QG . . 4.520 3.185 2.613 4.031 . 0 0 "[ . 1 . 2]" 1
816 1 41 VAL QG 1 42 TYR H . . 4.030 3.164 2.159 3.550 . 0 0 "[ . 1 . 2]" 1
817 1 41 VAL QG 1 43 TYR QD . . 3.830 3.146 2.288 3.882 0.052 20 0 "[ . 1 . 2]" 1
818 1 41 VAL QG 1 43 TYR QE . . 4.980 4.113 3.177 4.988 0.008 17 0 "[ . 1 . 2]" 1
819 1 41 VAL QG 1 63 THR MG . . 3.190 2.035 1.935 2.088 . 0 0 "[ . 1 . 2]" 1
820 1 41 VAL QG 1 90 VAL HA . . 3.780 2.559 2.440 2.787 . 0 0 "[ . 1 . 2]" 1
821 1 41 VAL QG 1 90 VAL QG . . 4.320 2.061 1.898 2.427 . 0 0 "[ . 1 . 2]" 1
822 1 41 VAL QG 1 93 MET H . . 4.440 3.822 3.648 4.035 . 0 0 "[ . 1 . 2]" 1
823 1 41 VAL QG 1 93 MET QB . . 3.030 1.913 1.815 2.053 . 0 0 "[ . 1 . 2]" 1
824 1 41 VAL QG 1 93 MET ME . . 2.750 2.194 1.980 2.828 0.078 13 0 "[ . 1 . 2]" 1
825 1 41 VAL QG 1 93 MET HG2 . . 4.280 3.865 3.566 4.150 . 0 0 "[ . 1 . 2]" 1
826 1 41 VAL QG 1 93 MET HG3 . . 5.180 3.945 3.591 4.284 . 0 0 "[ . 1 . 2]" 1
827 1 41 VAL QG 1 94 CYS H . . 4.030 2.845 2.679 3.078 . 0 0 "[ . 1 . 2]" 1
828 1 41 VAL QG 1 94 CYS HA . . 3.570 2.155 2.005 2.425 . 0 0 "[ . 1 . 2]" 1
829 1 41 VAL QG 1 97 GLN H . . 4.650 3.626 3.309 3.907 . 0 0 "[ . 1 . 2]" 1
830 1 41 VAL QG 1 97 GLN HB2 . . 3.670 2.846 2.268 3.675 0.005 19 0 "[ . 1 . 2]" 1
831 1 41 VAL QG 1 97 GLN HB3 . . 3.620 3.310 2.386 3.734 0.114 16 0 "[ . 1 . 2]" 1
832 1 41 VAL QG 1 97 GLN HG2 . . 3.650 2.473 1.971 3.452 . 0 0 "[ . 1 . 2]" 1
833 1 41 VAL QG 1 97 GLN HG3 . . 3.910 2.892 1.922 3.951 0.041 17 0 "[ . 1 . 2]" 1
834 1 42 TYR H 1 42 TYR HB2 . . 3.340 2.411 2.268 2.662 . 0 0 "[ . 1 . 2]" 1
835 1 42 TYR H 1 42 TYR HB3 . . 3.850 3.631 3.537 3.797 . 0 0 "[ . 1 . 2]" 1
836 1 42 TYR H 1 42 TYR QD . . 4.100 3.162 2.537 3.652 . 0 0 "[ . 1 . 2]" 1
837 1 42 TYR H 1 62 ILE MG . . 4.630 4.006 3.660 4.528 . 0 0 "[ . 1 . 2]" 1
838 1 42 TYR H 1 63 THR H . . 4.450 4.302 4.139 4.517 0.067 20 0 "[ . 1 . 2]" 1
839 1 42 TYR H 1 63 THR HA . . 5.150 3.570 3.049 4.106 . 0 0 "[ . 1 . 2]" 1
840 1 42 TYR H 1 63 THR HG1 . . 3.680 2.504 2.116 3.042 . 0 0 "[ . 1 . 2]" 1
841 1 42 TYR H 1 63 THR MG . . 3.840 2.887 2.664 3.097 . 0 0 "[ . 1 . 2]" 1
842 1 42 TYR HA 1 42 TYR QD . . 4.370 2.739 2.226 3.142 . 0 0 "[ . 1 . 2]" 1
843 1 42 TYR HA 1 43 TYR H . . 3.170 2.265 2.079 2.637 . 0 0 "[ . 1 . 2]" 1
844 1 42 TYR HA 1 43 TYR QD . . 4.850 3.020 2.449 4.071 . 0 0 "[ . 1 . 2]" 1
845 1 42 TYR HB2 1 43 TYR H . . 4.490 4.219 3.459 4.488 . 0 0 "[ . 1 . 2]" 1
846 1 42 TYR HB2 1 62 ILE MG . . 3.480 2.165 2.034 2.329 . 0 0 "[ . 1 . 2]" 1
847 1 42 TYR HB2 1 63 THR H . . 4.890 3.909 3.363 4.489 . 0 0 "[ . 1 . 2]" 1
848 1 42 TYR HB2 1 63 THR HA . . 4.570 2.944 2.156 3.451 . 0 0 "[ . 1 . 2]" 1
849 1 42 TYR HB3 1 43 TYR H . . 4.320 3.197 2.260 3.614 . 0 0 "[ . 1 . 2]" 1
850 1 42 TYR HB3 1 62 ILE MG . . 3.570 2.511 2.262 3.032 . 0 0 "[ . 1 . 2]" 1
851 1 42 TYR HB3 1 63 THR HA . . 5.050 4.579 3.795 5.115 0.065 4 0 "[ . 1 . 2]" 1
852 1 42 TYR QD 1 62 ILE MG . . 4.640 3.359 2.640 3.840 . 0 0 "[ . 1 . 2]" 1
853 1 42 TYR QD 1 63 THR HA . . 3.660 2.441 2.012 2.809 . 0 0 "[ . 1 . 2]" 1
854 1 42 TYR QD 1 63 THR MG . . 3.820 2.900 2.133 3.613 . 0 0 "[ . 1 . 2]" 1
855 1 42 TYR QE 1 63 THR HA . . 4.840 4.285 3.589 4.852 0.012 8 0 "[ . 1 . 2]" 1
856 1 42 TYR QE 1 63 THR MG . . 4.770 4.142 2.954 4.848 0.078 5 0 "[ . 1 . 2]" 1
857 1 42 TYR QE 1 66 GLN HB2 . . 4.540 3.597 2.670 4.526 . 0 0 "[ . 1 . 2]" 1
858 1 42 TYR QE 1 66 GLN HB3 . . 4.490 2.751 2.118 3.618 . 0 0 "[ . 1 . 2]" 1
859 1 42 TYR QE 1 66 GLN HG2 . . 4.970 4.685 4.197 5.052 0.082 11 0 "[ . 1 . 2]" 1
860 1 42 TYR QE 1 66 GLN HG3 . . 4.370 3.439 2.836 4.084 . 0 0 "[ . 1 . 2]" 1
861 1 43 TYR H 1 43 TYR QD . . 3.980 2.544 2.093 3.328 . 0 0 "[ . 1 . 2]" 1
862 1 43 TYR HB2 1 44 ARG H . . 4.440 2.475 2.059 3.054 . 0 0 "[ . 1 . 2]" 1
863 1 43 TYR HB3 1 44 ARG H . . 5.260 3.823 3.591 4.093 . 0 0 "[ . 1 . 2]" 1
864 1 43 TYR HB3 1 55 PHE QD . . 5.500 4.422 3.558 5.562 0.062 6 0 "[ . 1 . 2]" 1
865 1 43 TYR QD 1 44 ARG H . . 4.530 3.487 2.639 4.385 . 0 0 "[ . 1 . 2]" 1
866 1 43 TYR QD 1 45 PRO HA . . 4.900 3.934 3.260 4.840 . 0 0 "[ . 1 . 2]" 1
867 1 43 TYR QD 1 55 PHE QD . . 3.860 3.416 2.551 3.963 0.103 15 0 "[ . 1 . 2]" 1
868 1 43 TYR QD 1 55 PHE QE . . 4.110 2.856 2.352 4.226 0.116 6 0 "[ . 1 . 2]" 1
869 1 43 TYR QE 1 45 PRO HA . . 4.610 3.717 2.988 4.696 0.086 20 0 "[ . 1 . 2]" 1
870 1 43 TYR QE 1 97 GLN HB3 . . 4.880 3.776 2.391 4.965 0.085 19 0 "[ . 1 . 2]" 1
871 1 43 TYR QE 1 97 GLN HE21 . . 5.050 3.694 2.009 5.484 0.434 9 0 "[ . 1 . 2]" 1
872 1 44 ARG H 1 44 ARG HD2 . . 4.980 4.826 2.831 5.684 0.704 13 1 "[ . 1 + . 2]" 1
873 1 44 ARG H 1 44 ARG HG2 . . 5.500 3.974 3.073 4.898 . 0 0 "[ . 1 . 2]" 1
874 1 44 ARG H 1 44 ARG HG3 . . 4.840 3.531 2.811 4.267 . 0 0 "[ . 1 . 2]" 1
875 1 44 ARG H 1 49 TYR QE . . 5.500 4.887 3.029 5.551 0.051 19 0 "[ . 1 . 2]" 1
876 1 44 ARG HA 1 44 ARG HD2 . . 4.190 4.028 2.487 4.427 0.237 13 0 "[ . 1 . 2]" 1
877 1 44 ARG HA 1 44 ARG HD3 . . 4.340 4.043 2.636 4.417 0.077 16 0 "[ . 1 . 2]" 1
878 1 44 ARG HA 1 44 ARG HG2 . . 3.980 2.554 2.187 3.450 . 0 0 "[ . 1 . 2]" 1
879 1 44 ARG HA 1 44 ARG HG3 . . 4.140 2.936 2.140 3.807 . 0 0 "[ . 1 . 2]" 1
880 1 44 ARG HA 1 45 PRO HD2 . . 3.930 2.503 2.269 2.893 . 0 0 "[ . 1 . 2]" 1
881 1 44 ARG HA 1 45 PRO HD3 . . 3.450 2.529 2.366 2.655 . 0 0 "[ . 1 . 2]" 1
882 1 44 ARG HB2 1 45 PRO HD2 . . 5.020 3.830 3.697 4.091 . 0 0 "[ . 1 . 2]" 1
883 1 44 ARG HB2 1 49 TYR QE . . 5.500 3.456 2.210 4.171 . 0 0 "[ . 1 . 2]" 1
884 1 44 ARG HB3 1 45 PRO HD2 . . 4.110 2.307 2.055 2.753 . 0 0 "[ . 1 . 2]" 1
885 1 44 ARG HB3 1 45 PRO HD3 . . 4.210 3.732 3.375 3.980 . 0 0 "[ . 1 . 2]" 1
886 1 44 ARG HB3 1 49 TYR QE . . 5.500 3.784 2.314 5.407 . 0 0 "[ . 1 . 2]" 1
887 1 45 PRO HA 1 46 VAL H . . 3.160 2.333 2.122 2.508 . 0 0 "[ . 1 . 2]" 1
888 1 45 PRO HA 1 46 VAL QG . . 4.550 3.693 3.355 4.315 . 0 0 "[ . 1 . 2]" 1
889 1 45 PRO HB2 1 46 VAL H . . 4.690 3.059 2.484 3.640 . 0 0 "[ . 1 . 2]" 1
890 1 45 PRO HB3 1 46 VAL H . . 4.450 3.766 3.380 4.032 . 0 0 "[ . 1 . 2]" 1
891 1 46 VAL H 1 46 VAL HB . . 3.660 2.776 1.991 3.689 0.029 3 0 "[ . 1 . 2]" 1
892 1 46 VAL H 1 46 VAL QG . . 3.500 2.241 1.800 2.879 . 0 0 "[ . 1 . 2]" 1
893 1 46 VAL H 1 47 ASP H . . 4.400 2.638 2.399 3.046 . 0 0 "[ . 1 . 2]" 1
894 1 46 VAL HA 1 55 PHE HZ . . 5.280 2.119 1.950 2.301 . 0 0 "[ . 1 . 2]" 1
895 1 46 VAL HB 1 47 ASP H . . 4.900 3.568 2.731 4.370 . 0 0 "[ . 1 . 2]" 1
896 1 46 VAL QG 1 47 ASP H . . 3.800 3.141 2.490 3.580 . 0 0 "[ . 1 . 2]" 1
897 1 46 VAL QG 1 47 ASP HA . . 4.780 3.830 3.406 4.613 . 0 0 "[ . 1 . 2]" 1
898 1 46 VAL QG 1 50 SER HB2 . . 4.570 3.157 2.148 4.015 . 0 0 "[ . 1 . 2]" 1
899 1 46 VAL QG 1 50 SER HB3 . . 4.590 3.158 2.061 4.157 . 0 0 "[ . 1 . 2]" 1
900 1 46 VAL QG 1 55 PHE QD . . 5.500 3.704 3.564 3.923 . 0 0 "[ . 1 . 2]" 1
901 1 46 VAL QG 1 55 PHE QE . . 4.460 2.337 2.109 2.699 . 0 0 "[ . 1 . 2]" 1
902 1 46 VAL QG 1 55 PHE HZ . . 4.100 2.507 2.073 3.526 . 0 0 "[ . 1 . 2]" 1
903 1 46 VAL QG 1 98 TYR HA . . 5.480 3.454 2.960 3.880 . 0 0 "[ . 1 . 2]" 1
904 1 46 VAL QG 1 98 TYR QD . . 4.010 2.613 2.181 3.309 . 0 0 "[ . 1 . 2]" 1
905 1 46 VAL QG 1 98 TYR QE . . 3.950 2.761 2.097 3.707 . 0 0 "[ . 1 . 2]" 1
906 1 46 VAL QG 1 101 GLU H . . 4.590 4.119 3.891 4.374 . 0 0 "[ . 1 . 2]" 1
907 1 46 VAL QG 1 101 GLU HB2 . . 4.080 2.413 2.055 2.986 . 0 0 "[ . 1 . 2]" 1
908 1 46 VAL QG 1 101 GLU HB3 . . 3.740 2.067 1.885 2.318 . 0 0 "[ . 1 . 2]" 1
909 1 46 VAL QG 1 101 GLU HG2 . . 4.660 3.776 2.681 4.521 . 0 0 "[ . 1 . 2]" 1
910 1 46 VAL QG 1 102 SER H . . 4.530 3.127 2.790 3.556 . 0 0 "[ . 1 . 2]" 1
911 1 46 VAL QG 1 102 SER HA . . 3.840 2.604 2.187 3.135 . 0 0 "[ . 1 . 2]" 1
912 1 46 VAL QG 1 102 SER HB2 . . 4.690 3.284 2.619 4.525 . 0 0 "[ . 1 . 2]" 1
913 1 46 VAL QG 1 102 SER HB3 . . 4.570 4.143 2.700 4.520 . 0 0 "[ . 1 . 2]" 1
914 1 46 VAL QG 1 105 TYR H . . 5.330 3.875 3.433 4.280 . 0 0 "[ . 1 . 2]" 1
915 1 46 VAL QG 1 105 TYR HB2 . . 4.090 2.397 2.060 2.870 . 0 0 "[ . 1 . 2]" 1
916 1 46 VAL QG 1 105 TYR HB3 . . 4.010 2.787 2.335 3.606 . 0 0 "[ . 1 . 2]" 1
917 1 46 VAL QG 1 105 TYR QD . . 4.160 2.670 2.397 3.011 . 0 0 "[ . 1 . 2]" 1
918 1 46 VAL QG 1 105 TYR QE . . 5.500 3.237 2.908 3.732 . 0 0 "[ . 1 . 2]" 1
919 1 47 ASP H 1 47 ASP HB2 . . 4.080 2.665 2.128 3.696 . 0 0 "[ . 1 . 2]" 1
920 1 47 ASP H 1 47 ASP HB3 . . 4.060 2.972 2.185 3.675 . 0 0 "[ . 1 . 2]" 1
921 1 48 HIS H 1 48 HIS HB2 . . 3.400 2.736 2.194 3.533 0.133 16 0 "[ . 1 . 2]" 1
922 1 48 HIS H 1 48 HIS HB3 . . 3.510 3.004 2.180 3.601 0.091 2 0 "[ . 1 . 2]" 1
923 1 48 HIS H 1 49 TYR H . . 3.980 2.519 1.956 3.463 . 0 0 "[ . 1 . 2]" 1
924 1 48 HIS H 1 49 TYR QD . . 4.900 4.474 2.991 5.006 0.106 3 0 "[ . 1 . 2]" 1
925 1 49 TYR H 1 49 TYR HB3 . . 3.920 3.424 2.728 3.801 . 0 0 "[ . 1 . 2]" 1
926 1 49 TYR H 1 49 TYR QD . . 4.050 3.192 1.924 4.155 0.105 1 0 "[ . 1 . 2]" 1
927 1 49 TYR QD 1 54 ASN H . . 5.500 5.237 4.571 5.594 0.094 1 0 "[ . 1 . 2]" 1
928 1 49 TYR QD 1 54 ASN HB2 . . 4.300 3.461 2.537 4.380 0.080 4 0 "[ . 1 . 2]" 1
929 1 49 TYR QD 1 54 ASN HB3 . . 4.190 3.108 2.335 4.349 0.159 12 0 "[ . 1 . 2]" 1
930 1 49 TYR QE 1 54 ASN HB2 . . 4.230 3.539 2.142 4.687 0.457 10 0 "[ . 1 . 2]" 1
931 1 49 TYR QE 1 58 ASP HB2 . . 4.900 4.429 3.384 4.993 0.093 9 0 "[ . 1 . 2]" 1
932 1 49 TYR QE 1 58 ASP HB3 . . 4.500 4.123 2.776 4.654 0.154 12 0 "[ . 1 . 2]" 1
933 1 51 ASN HA 1 52 GLN H . . 3.630 2.377 2.179 2.695 . 0 0 "[ . 1 . 2]" 1
934 1 51 ASN HB2 1 51 ASN HD22 . . 4.120 3.994 3.535 4.170 0.050 1 0 "[ . 1 . 2]" 1
935 1 51 ASN HB2 1 52 GLN H . . 4.120 3.613 2.225 4.202 0.082 20 0 "[ . 1 . 2]" 1
936 1 51 ASN HB3 1 52 GLN H . . 3.710 3.171 2.375 3.933 0.223 6 0 "[ . 1 . 2]" 1
937 1 51 ASN HB3 1 52 GLN QB . . 4.640 4.691 4.142 5.640 1.000 5 5 "[ +- *1 * . *2]" 1
938 1 51 ASN HB3 1 53 ASN H . . 4.530 3.370 2.266 4.808 0.278 5 0 "[ . 1 . 2]" 1
939 1 51 ASN HD21 1 53 ASN QB . . 5.060 4.622 3.505 4.969 . 0 0 "[ . 1 . 2]" 1
940 1 52 GLN H 1 52 GLN QB . . 3.470 2.301 2.114 2.393 . 0 0 "[ . 1 . 2]" 1
941 1 52 GLN H 1 52 GLN HG2 . . 4.760 4.552 4.376 4.725 . 0 0 "[ . 1 . 2]" 1
942 1 52 GLN H 1 53 ASN H . . 3.290 2.611 2.118 2.946 . 0 0 "[ . 1 . 2]" 1
943 1 52 GLN QB 1 53 ASN H . . 3.630 2.387 2.121 3.208 . 0 0 "[ . 1 . 2]" 1
944 1 52 GLN QE 1 56 VAL H . . 4.610 4.150 3.572 4.564 . 0 0 "[ . 1 . 2]" 1
945 1 52 GLN QE 1 56 VAL HA . . 4.860 4.559 4.109 4.781 . 0 0 "[ . 1 . 2]" 1
946 1 52 GLN QE 1 56 VAL MG2 . . 3.560 1.841 1.569 2.057 . 0 0 "[ . 1 . 2]" 1
947 1 52 GLN QE 1 95 ILE MD . . 4.330 3.554 2.741 4.026 . 0 0 "[ . 1 . 2]" 1
948 1 52 GLN QE 1 95 ILE HG12 . . 3.710 2.901 2.411 3.300 . 0 0 "[ . 1 . 2]" 1
949 1 52 GLN QE 1 95 ILE MG . . 3.690 3.597 2.070 4.518 0.828 2 9 "[ + ** *1* **- *2]" 1
950 1 52 GLN QE 1 98 TYR QD . . 4.940 4.196 2.147 5.569 0.629 16 2 "[ . 1 -.+ 2]" 1
951 1 52 GLN HG2 1 53 ASN H . . 4.860 4.240 3.761 4.818 . 0 0 "[ . 1 . 2]" 1
952 1 52 GLN HG2 1 56 VAL MG2 . . 3.560 2.759 1.971 3.661 0.101 7 0 "[ . 1 . 2]" 1
953 1 52 GLN HG3 1 56 VAL MG2 . . 3.280 3.143 2.104 3.670 0.390 16 0 "[ . 1 . 2]" 1
954 1 53 ASN H 1 53 ASN QB . . 3.110 2.246 2.027 2.589 . 0 0 "[ . 1 . 2]" 1
955 1 53 ASN H 1 53 ASN HD21 . . 4.520 4.234 2.675 4.601 0.081 20 0 "[ . 1 . 2]" 1
956 1 53 ASN H 1 54 ASN H . . 3.420 3.067 2.771 3.357 . 0 0 "[ . 1 . 2]" 1
957 1 53 ASN HA 1 56 VAL H . . 4.580 3.561 2.975 3.916 . 0 0 "[ . 1 . 2]" 1
958 1 53 ASN HA 1 56 VAL HB . . 3.600 3.004 2.561 3.538 . 0 0 "[ . 1 . 2]" 1
959 1 53 ASN HA 1 56 VAL MG2 . . 3.960 3.467 2.380 4.065 0.105 19 0 "[ . 1 . 2]" 1
960 1 53 ASN QB 1 54 ASN H . . 3.580 2.676 2.254 3.169 . 0 0 "[ . 1 . 2]" 1
961 1 54 ASN H 1 54 ASN HB2 . . 3.360 2.430 2.097 2.746 . 0 0 "[ . 1 . 2]" 1
962 1 54 ASN H 1 54 ASN HB3 . . 3.820 3.225 2.533 3.694 . 0 0 "[ . 1 . 2]" 1
963 1 54 ASN H 1 54 ASN HD21 . . 4.670 4.431 2.745 4.759 0.089 17 0 "[ . 1 . 2]" 1
964 1 54 ASN H 1 55 PHE QE . . 5.500 5.590 5.566 5.608 0.108 7 0 "[ . 1 . 2]" 1
965 1 54 ASN HA 1 54 ASN HD21 . . 4.680 3.465 2.321 4.576 . 0 0 "[ . 1 . 2]" 1
966 1 54 ASN HA 1 57 HIS H . . 4.260 3.786 3.336 4.288 0.028 3 0 "[ . 1 . 2]" 1
967 1 54 ASN HA 1 57 HIS QB . . 3.700 3.197 2.718 3.782 0.082 3 0 "[ . 1 . 2]" 1
968 1 55 PHE HB2 1 56 VAL H . . 3.970 3.602 2.365 3.959 . 0 0 "[ . 1 . 2]" 1
969 1 55 PHE HB2 1 56 VAL MG2 . . 4.810 3.358 2.803 3.716 . 0 0 "[ . 1 . 2]" 1
970 1 55 PHE HB3 1 56 VAL H . . 4.810 4.102 3.240 4.414 . 0 0 "[ . 1 . 2]" 1
971 1 55 PHE HB3 1 56 VAL MG2 . . 3.970 3.617 3.103 4.070 0.100 18 0 "[ . 1 . 2]" 1
972 1 55 PHE QD 1 98 TYR HA . . 5.100 2.545 2.221 3.048 . 0 0 "[ . 1 . 2]" 1
973 1 55 PHE QE 1 98 TYR H . . 5.370 5.392 4.899 5.466 0.096 6 0 "[ . 1 . 2]" 1
974 1 55 PHE QE 1 98 TYR HB3 . . 5.500 5.655 5.426 5.960 0.460 10 0 "[ . 1 . 2]" 1
975 1 56 VAL H 1 56 VAL HB . . 3.390 2.665 2.497 2.914 . 0 0 "[ . 1 . 2]" 1
976 1 56 VAL H 1 56 VAL MG1 . . 4.300 3.869 3.753 3.967 . 0 0 "[ . 1 . 2]" 1
977 1 56 VAL H 1 56 VAL MG2 . . 3.340 2.771 1.839 3.048 . 0 0 "[ . 1 . 2]" 1
978 1 56 VAL H 1 57 HIS H . . 3.680 2.363 2.137 2.900 . 0 0 "[ . 1 . 2]" 1
979 1 56 VAL H 1 58 ASP H . . 5.500 3.637 3.324 4.777 . 0 0 "[ . 1 . 2]" 1
980 1 56 VAL HA 1 56 VAL MG1 . . 3.280 2.350 2.188 2.502 . 0 0 "[ . 1 . 2]" 1
981 1 56 VAL HA 1 56 VAL MG2 . . 3.220 2.322 2.164 2.522 . 0 0 "[ . 1 . 2]" 1
982 1 56 VAL HA 1 59 CYS H . . 4.350 3.875 3.632 4.194 . 0 0 "[ . 1 . 2]" 1
983 1 56 VAL HA 1 59 CYS HB2 . . 4.420 4.044 3.594 4.511 0.091 4 0 "[ . 1 . 2]" 1
984 1 56 VAL HA 1 59 CYS HB3 . . 4.190 2.660 2.224 3.611 . 0 0 "[ . 1 . 2]" 1
985 1 56 VAL HA 1 60 VAL H . . 4.990 3.558 3.249 4.032 . 0 0 "[ . 1 . 2]" 1
986 1 56 VAL HA 1 94 CYS HB2 . . 3.390 2.989 2.610 3.186 . 0 0 "[ . 1 . 2]" 1
987 1 56 VAL HA 1 94 CYS HB3 . . 3.510 2.460 2.194 2.663 . 0 0 "[ . 1 . 2]" 1
988 1 56 VAL HB 1 57 HIS H . . 3.560 2.496 2.218 3.071 . 0 0 "[ . 1 . 2]" 1
989 1 56 VAL MG1 1 57 HIS H . . 4.080 3.278 3.044 3.871 . 0 0 "[ . 1 . 2]" 1
990 1 56 VAL MG1 1 57 HIS HA . . 3.950 3.544 3.199 4.026 0.076 4 0 "[ . 1 . 2]" 1
991 1 56 VAL MG1 1 60 VAL H . . 4.650 4.153 3.889 4.665 0.015 4 0 "[ . 1 . 2]" 1
992 1 56 VAL MG1 1 94 CYS H . . 4.880 4.713 4.128 4.963 0.083 18 0 "[ . 1 . 2]" 1
993 1 56 VAL MG1 1 94 CYS HB2 . . 3.270 3.099 2.479 3.345 0.075 17 0 "[ . 1 . 2]" 1
994 1 56 VAL MG1 1 94 CYS HB3 . . 3.750 3.701 3.383 3.835 0.085 12 0 "[ . 1 . 2]" 1
995 1 56 VAL MG1 1 95 ILE H . . 4.420 3.908 3.468 4.377 . 0 0 "[ . 1 . 2]" 1
996 1 56 VAL MG1 1 95 ILE MD . . 2.860 2.747 2.371 2.976 0.116 14 0 "[ . 1 . 2]" 1
997 1 56 VAL MG1 1 95 ILE HG13 . . 3.620 2.796 2.364 3.284 . 0 0 "[ . 1 . 2]" 1
998 1 56 VAL MG2 1 57 HIS H . . 3.900 3.891 3.636 3.999 0.099 4 0 "[ . 1 . 2]" 1
999 1 56 VAL MG2 1 94 CYS HB3 . . 3.960 3.055 2.459 3.748 . 0 0 "[ . 1 . 2]" 1
1000 1 56 VAL MG2 1 95 ILE H . . 4.070 3.257 2.740 3.739 . 0 0 "[ . 1 . 2]" 1
1001 1 56 VAL MG2 1 95 ILE HA . . 3.320 2.897 2.537 3.209 . 0 0 "[ . 1 . 2]" 1
1002 1 56 VAL MG2 1 95 ILE MD . . 3.390 2.855 2.446 3.093 . 0 0 "[ . 1 . 2]" 1
1003 1 56 VAL MG2 1 95 ILE HG12 . . 3.100 2.219 2.063 2.372 . 0 0 "[ . 1 . 2]" 1
1004 1 56 VAL MG2 1 95 ILE HG13 . . 3.580 2.082 1.968 2.293 . 0 0 "[ . 1 . 2]" 1
1005 1 56 VAL MG2 1 95 ILE MG . . 3.630 3.645 3.508 3.748 0.118 14 0 "[ . 1 . 2]" 1
1006 1 56 VAL MG2 1 98 TYR H . . 5.280 5.052 4.535 5.381 0.101 20 0 "[ . 1 . 2]" 1
1007 1 56 VAL MG2 1 98 TYR HB2 . . 5.420 4.246 3.595 4.697 . 0 0 "[ . 1 . 2]" 1
1008 1 56 VAL MG2 1 98 TYR HB3 . . 5.460 4.277 3.847 4.721 . 0 0 "[ . 1 . 2]" 1
1009 1 57 HIS H 1 57 HIS QB . . 3.220 2.176 2.050 2.352 . 0 0 "[ . 1 . 2]" 1
1010 1 57 HIS H 1 57 HIS HD2 . . 5.500 5.000 4.519 5.299 . 0 0 "[ . 1 . 2]" 1
1011 1 57 HIS H 1 58 ASP H . . 3.800 2.937 2.690 3.155 . 0 0 "[ . 1 . 2]" 1
1012 1 57 HIS HA 1 57 HIS HD2 . . 4.900 4.025 2.466 4.743 . 0 0 "[ . 1 . 2]" 1
1013 1 57 HIS HA 1 60 VAL H . . 4.750 3.936 3.587 4.210 . 0 0 "[ . 1 . 2]" 1
1014 1 57 HIS HA 1 60 VAL HB . . 3.850 3.381 2.904 3.651 . 0 0 "[ . 1 . 2]" 1
1015 1 57 HIS HA 1 60 VAL MG1 . . 4.800 4.716 4.202 4.895 0.095 13 0 "[ . 1 . 2]" 1
1016 1 57 HIS HA 1 60 VAL MG2 . . 4.170 3.776 3.494 4.064 . 0 0 "[ . 1 . 2]" 1
1017 1 57 HIS QB 1 58 ASP H . . 3.880 2.420 2.163 2.689 . 0 0 "[ . 1 . 2]" 1
1018 1 57 HIS HD2 1 58 ASP HA . . 5.500 3.744 2.501 5.563 0.063 20 0 "[ . 1 . 2]" 1
1019 1 58 ASP H 1 58 ASP HB2 . . 3.910 2.318 1.976 2.573 . 0 0 "[ . 1 . 2]" 1
1020 1 58 ASP H 1 58 ASP HB3 . . 3.600 2.847 2.373 3.716 0.116 5 0 "[ . 1 . 2]" 1
1021 1 58 ASP H 1 59 CYS H . . 3.710 2.534 2.285 2.807 . 0 0 "[ . 1 . 2]" 1
1022 1 58 ASP HA 1 61 ASN H . . 4.000 3.669 3.356 4.036 0.036 18 0 "[ . 1 . 2]" 1
1023 1 58 ASP HA 1 61 ASN HB2 . . 3.610 3.363 2.919 3.687 0.077 18 0 "[ . 1 . 2]" 1
1024 1 58 ASP HA 1 61 ASN HB3 . . 3.880 2.625 2.321 3.225 . 0 0 "[ . 1 . 2]" 1
1025 1 58 ASP HA 1 61 ASN HD22 . . 5.190 5.147 4.709 5.282 0.092 18 0 "[ . 1 . 2]" 1
1026 1 58 ASP HB2 1 59 CYS H . . 3.810 3.727 2.863 3.899 0.089 18 0 "[ . 1 . 2]" 1
1027 1 58 ASP HB3 1 59 CYS H . . 3.710 2.972 2.613 3.804 0.094 5 0 "[ . 1 . 2]" 1
1028 1 59 CYS H 1 59 CYS HB2 . . 3.500 2.701 2.528 3.547 0.047 4 0 "[ . 1 . 2]" 1
1029 1 59 CYS H 1 59 CYS HB3 . . 3.830 2.388 2.269 2.520 . 0 0 "[ . 1 . 2]" 1
1030 1 59 CYS H 1 60 VAL H . . 3.630 2.803 2.302 3.005 . 0 0 "[ . 1 . 2]" 1
1031 1 59 CYS H 1 60 VAL MG2 . . 5.400 4.432 4.065 4.612 . 0 0 "[ . 1 . 2]" 1
1032 1 59 CYS HA 1 62 ILE HB . . 4.900 2.784 2.684 3.094 . 0 0 "[ . 1 . 2]" 1
1033 1 59 CYS HA 1 62 ILE MD . . 5.210 5.305 5.259 5.331 0.121 7 0 "[ . 1 . 2]" 1
1034 1 59 CYS HA 1 62 ILE MG . . 4.210 3.922 3.636 4.213 0.003 15 0 "[ . 1 . 2]" 1
1035 1 59 CYS HB2 1 60 VAL H . . 4.410 3.953 3.845 4.069 . 0 0 "[ . 1 . 2]" 1
1036 1 59 CYS HB3 1 60 VAL H . . 4.060 2.593 2.391 3.795 . 0 0 "[ . 1 . 2]" 1
1037 1 59 CYS HB3 1 60 VAL MG2 . . 4.550 3.591 3.315 4.656 0.106 4 0 "[ . 1 . 2]" 1
1038 1 59 CYS HB3 1 94 CYS HB2 . . 4.610 3.776 3.598 4.662 0.052 4 0 "[ . 1 . 2]" 1
1039 1 59 CYS HB3 1 94 CYS HB3 . . 5.500 2.676 2.446 3.442 . 0 0 "[ . 1 . 2]" 1
1040 1 60 VAL H 1 60 VAL HB . . 3.230 2.520 2.408 2.589 . 0 0 "[ . 1 . 2]" 1
1041 1 60 VAL H 1 60 VAL MG1 . . 3.780 3.783 3.727 3.828 0.048 12 0 "[ . 1 . 2]" 1
1042 1 60 VAL H 1 60 VAL MG2 . . 3.130 2.172 2.080 2.326 . 0 0 "[ . 1 . 2]" 1
1043 1 60 VAL H 1 61 ASN H . . 3.550 2.846 2.651 3.009 . 0 0 "[ . 1 . 2]" 1
1044 1 60 VAL H 1 90 VAL QG . . 4.830 3.846 3.581 4.454 . 0 0 "[ . 1 . 2]" 1
1045 1 60 VAL H 1 91 GLU HA . . 4.650 4.724 4.702 4.736 0.086 4 0 "[ . 1 . 2]" 1
1046 1 60 VAL HA 1 60 VAL MG1 . . 2.870 2.431 2.360 2.534 . 0 0 "[ . 1 . 2]" 1
1047 1 60 VAL HA 1 60 VAL MG2 . . 3.040 2.457 2.303 2.547 . 0 0 "[ . 1 . 2]" 1
1048 1 60 VAL HA 1 63 THR H . . 4.620 3.496 3.369 3.655 . 0 0 "[ . 1 . 2]" 1
1049 1 60 VAL HA 1 63 THR HB . . 4.100 2.620 2.420 2.889 . 0 0 "[ . 1 . 2]" 1
1050 1 60 VAL HA 1 63 THR HG1 . . 5.040 3.526 3.271 3.816 . 0 0 "[ . 1 . 2]" 1
1051 1 60 VAL HA 1 64 VAL H . . 4.230 3.504 3.292 3.680 . 0 0 "[ . 1 . 2]" 1
1052 1 60 VAL HA 1 90 VAL QG . . 3.040 2.026 1.896 2.448 . 0 0 "[ . 1 . 2]" 1
1053 1 60 VAL HB 1 61 ASN H . . 3.310 2.520 2.457 2.673 . 0 0 "[ . 1 . 2]" 1
1054 1 60 VAL MG1 1 61 ASN H . . 3.700 3.330 3.093 3.508 . 0 0 "[ . 1 . 2]" 1
1055 1 60 VAL MG1 1 61 ASN HA . . 3.550 3.371 3.109 3.633 0.083 15 0 "[ . 1 . 2]" 1
1056 1 60 VAL MG1 1 63 THR H . . 4.810 4.792 4.692 4.880 0.070 15 0 "[ . 1 . 2]" 1
1057 1 60 VAL MG1 1 64 VAL H . . 3.560 3.650 3.616 3.664 0.104 13 0 "[ . 1 . 2]" 1
1058 1 60 VAL MG1 1 64 VAL HB . . 3.260 3.341 3.295 3.367 0.107 10 0 "[ . 1 . 2]" 1
1059 1 60 VAL MG1 1 87 GLU HA . . 3.340 2.255 2.085 2.378 . 0 0 "[ . 1 . 2]" 1
1060 1 60 VAL MG1 1 87 GLU HB2 . . 4.540 3.942 3.753 4.117 . 0 0 "[ . 1 . 2]" 1
1061 1 60 VAL MG1 1 87 GLU HB3 . . 3.280 2.641 2.415 2.920 . 0 0 "[ . 1 . 2]" 1
1062 1 60 VAL MG1 1 87 GLU QG . . 3.640 2.659 2.141 3.138 . 0 0 "[ . 1 . 2]" 1
1063 1 60 VAL MG1 1 88 ARG H . . 4.950 4.770 4.602 5.003 0.053 16 0 "[ . 1 . 2]" 1
1064 1 60 VAL MG1 1 91 GLU HA . . 4.510 4.267 4.076 4.424 . 0 0 "[ . 1 . 2]" 1
1065 1 60 VAL MG1 1 91 GLU QG . . 4.230 4.188 3.902 4.330 0.100 15 0 "[ . 1 . 2]" 1
1066 1 60 VAL MG2 1 61 ASN H . . 4.100 3.917 3.858 3.985 . 0 0 "[ . 1 . 2]" 1
1067 1 60 VAL MG2 1 90 VAL HB . . 3.510 3.109 2.764 3.627 0.117 4 0 "[ . 1 . 2]" 1
1068 1 60 VAL MG2 1 90 VAL QG . . 2.660 2.082 1.888 2.166 . 0 0 "[ . 1 . 2]" 1
1069 1 60 VAL MG2 1 91 GLU H . . 3.710 2.747 2.595 3.000 . 0 0 "[ . 1 . 2]" 1
1070 1 60 VAL MG2 1 91 GLU HA . . 2.850 2.173 2.067 2.256 . 0 0 "[ . 1 . 2]" 1
1071 1 60 VAL MG2 1 91 GLU QB . . 3.070 2.858 2.567 3.124 0.054 6 0 "[ . 1 . 2]" 1
1072 1 60 VAL MG2 1 92 GLN H . . 4.970 4.721 4.596 4.822 . 0 0 "[ . 1 . 2]" 1
1073 1 60 VAL MG2 1 94 CYS HB3 . . 4.400 3.868 3.434 4.426 0.026 4 0 "[ . 1 . 2]" 1
1074 1 61 ASN H 1 61 ASN HB2 . . 3.140 2.406 2.262 2.543 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ASN H 1 61 ASN HB3 . . 3.360 2.624 2.493 2.819 . 0 0 "[ . 1 . 2]" 1
1076 1 61 ASN H 1 62 ILE H . . 3.690 2.941 2.821 3.236 . 0 0 "[ . 1 . 2]" 1
1077 1 61 ASN H 1 62 ILE HB . . 5.500 4.859 4.608 5.195 . 0 0 "[ . 1 . 2]" 1
1078 1 61 ASN H 1 63 THR H . . 5.090 4.333 4.189 4.528 . 0 0 "[ . 1 . 2]" 1
1079 1 61 ASN HA 1 61 ASN HD21 . . 4.930 4.464 4.195 4.609 . 0 0 "[ . 1 . 2]" 1
1080 1 61 ASN HA 1 64 VAL H . . 4.490 4.121 3.719 4.465 . 0 0 "[ . 1 . 2]" 1
1081 1 61 ASN HA 1 64 VAL HB . . 4.170 3.349 2.782 3.725 . 0 0 "[ . 1 . 2]" 1
1082 1 61 ASN HA 1 64 VAL QG . . 4.250 3.820 3.362 4.085 . 0 0 "[ . 1 . 2]" 1
1083 1 61 ASN HB2 1 62 ILE H . . 3.770 3.770 3.501 3.846 0.076 7 0 "[ . 1 . 2]" 1
1084 1 61 ASN HB3 1 62 ILE H . . 3.810 2.430 2.156 2.632 . 0 0 "[ . 1 . 2]" 1
1085 1 61 ASN HB3 1 62 ILE MD . . 4.300 4.328 4.045 4.401 0.101 13 0 "[ . 1 . 2]" 1
1086 1 61 ASN HD21 1 62 ILE MD . . 4.630 4.289 3.387 4.734 0.104 15 0 "[ . 1 . 2]" 1
1087 1 62 ILE H 1 62 ILE HB . . 3.300 2.233 2.159 2.302 . 0 0 "[ . 1 . 2]" 1
1088 1 62 ILE H 1 62 ILE MD . . 4.070 3.688 3.493 3.905 . 0 0 "[ . 1 . 2]" 1
1089 1 62 ILE H 1 62 ILE HG12 . . 3.760 2.430 2.175 2.735 . 0 0 "[ . 1 . 2]" 1
1090 1 62 ILE H 1 62 ILE HG13 . . 3.800 3.587 3.393 3.833 0.033 7 0 "[ . 1 . 2]" 1
1091 1 62 ILE H 1 62 ILE MG . . 3.600 3.676 3.640 3.699 0.099 15 0 "[ . 1 . 2]" 1
1092 1 62 ILE H 1 63 THR H . . 3.470 2.722 2.509 2.940 . 0 0 "[ . 1 . 2]" 1
1093 1 62 ILE HA 1 62 ILE MD . . 3.130 2.057 1.980 2.141 . 0 0 "[ . 1 . 2]" 1
1094 1 62 ILE HA 1 62 ILE HG12 . . 3.850 2.823 2.683 2.961 . 0 0 "[ . 1 . 2]" 1
1095 1 62 ILE HA 1 62 ILE HG13 . . 4.130 3.697 3.641 3.799 . 0 0 "[ . 1 . 2]" 1
1096 1 62 ILE HA 1 62 ILE MG . . 3.400 2.633 2.543 2.750 . 0 0 "[ . 1 . 2]" 1
1097 1 62 ILE HA 1 65 LYS H . . 4.280 3.709 3.560 4.035 . 0 0 "[ . 1 . 2]" 1
1098 1 62 ILE HA 1 65 LYS HB2 . . 3.580 3.496 3.267 3.636 0.056 13 0 "[ . 1 . 2]" 1
1099 1 62 ILE HA 1 65 LYS HB3 . . 3.530 2.606 2.370 2.838 . 0 0 "[ . 1 . 2]" 1
1100 1 62 ILE HA 1 65 LYS QD . . 4.410 3.671 3.113 4.136 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ILE HA 1 66 GLN H . . 4.980 3.801 3.504 4.015 . 0 0 "[ . 1 . 2]" 1
1102 1 62 ILE HB 1 62 ILE MD . . 3.370 3.270 3.243 3.291 . 0 0 "[ . 1 . 2]" 1
1103 1 62 ILE HB 1 63 THR H . . 3.690 2.686 2.469 2.771 . 0 0 "[ . 1 . 2]" 1
1104 1 62 ILE HB 1 63 THR HG1 . . 5.500 3.686 3.323 5.082 . 0 0 "[ . 1 . 2]" 1
1105 1 62 ILE MD 1 62 ILE MG . . 2.710 2.090 2.042 2.179 . 0 0 "[ . 1 . 2]" 1
1106 1 62 ILE MD 1 63 THR H . . 5.030 4.810 4.744 4.881 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ILE MD 1 65 LYS HB2 . . 4.310 4.389 4.290 4.421 0.111 1 0 "[ . 1 . 2]" 1
1108 1 62 ILE MD 1 65 LYS HB3 . . 4.490 3.603 3.388 3.799 . 0 0 "[ . 1 . 2]" 1
1109 1 62 ILE MD 1 65 LYS QD . . 3.730 3.230 2.530 3.864 0.134 7 0 "[ . 1 . 2]" 1
1110 1 62 ILE MD 1 65 LYS QE . . 4.210 3.240 2.158 4.018 . 0 0 "[ . 1 . 2]" 1
1111 1 62 ILE MD 1 66 GLN H . . 5.030 4.899 4.384 5.122 0.092 14 0 "[ . 1 . 2]" 1
1112 1 62 ILE MD 1 66 GLN HG2 . . 4.790 4.633 3.880 4.889 0.099 12 0 "[ . 1 . 2]" 1
1113 1 62 ILE HG12 1 62 ILE MG . . 3.380 3.241 3.218 3.264 . 0 0 "[ . 1 . 2]" 1
1114 1 62 ILE HG13 1 62 ILE MG . . 3.370 2.394 2.298 2.480 . 0 0 "[ . 1 . 2]" 1
1115 1 62 ILE HG13 1 63 THR H . . 4.960 4.997 4.800 5.037 0.077 11 0 "[ . 1 . 2]" 1
1116 1 62 ILE MG 1 63 THR H . . 3.560 3.084 2.820 3.292 . 0 0 "[ . 1 . 2]" 1
1117 1 62 ILE MG 1 63 THR HA . . 4.140 3.127 2.802 3.276 . 0 0 "[ . 1 . 2]" 1
1118 1 62 ILE MG 1 63 THR HB . . 4.720 4.738 4.537 4.812 0.092 19 0 "[ . 1 . 2]" 1
1119 1 62 ILE MG 1 63 THR HG1 . . 4.340 3.641 3.305 4.430 0.090 13 0 "[ . 1 . 2]" 1
1120 1 62 ILE MG 1 66 GLN H . . 4.780 3.944 3.699 4.132 . 0 0 "[ . 1 . 2]" 1
1121 1 62 ILE MG 1 66 GLN HG2 . . 4.150 3.495 2.638 4.190 0.040 5 0 "[ . 1 . 2]" 1
1122 1 62 ILE MG 1 66 GLN HG3 . . 4.630 3.307 2.732 3.872 . 0 0 "[ . 1 . 2]" 1
1123 1 63 THR H 1 63 THR HB . . 3.380 2.428 2.338 2.580 . 0 0 "[ . 1 . 2]" 1
1124 1 63 THR H 1 63 THR HG1 . . 3.250 2.192 2.072 3.108 . 0 0 "[ . 1 . 2]" 1
1125 1 63 THR H 1 63 THR MG . . 4.140 3.753 3.687 3.830 . 0 0 "[ . 1 . 2]" 1
1126 1 63 THR H 1 64 VAL H . . 3.470 2.810 2.680 2.961 . 0 0 "[ . 1 . 2]" 1
1127 1 63 THR H 1 64 VAL QG . . 4.930 4.238 4.073 4.423 . 0 0 "[ . 1 . 2]" 1
1128 1 63 THR H 1 90 VAL QG . . 4.500 3.935 3.681 4.376 . 0 0 "[ . 1 . 2]" 1
1129 1 63 THR HA 1 63 THR MG . . 3.320 2.459 2.383 2.542 . 0 0 "[ . 1 . 2]" 1
1130 1 63 THR HA 1 64 VAL QG . . 5.500 4.782 4.643 4.858 . 0 0 "[ . 1 . 2]" 1
1131 1 63 THR HA 1 66 GLN H . . 4.950 3.447 3.072 3.797 . 0 0 "[ . 1 . 2]" 1
1132 1 63 THR HA 1 66 GLN HB2 . . 4.970 2.720 2.225 3.227 . 0 0 "[ . 1 . 2]" 1
1133 1 63 THR HA 1 66 GLN HB3 . . 4.520 3.881 3.265 4.570 0.050 18 0 "[ . 1 . 2]" 1
1134 1 63 THR HB 1 64 VAL H . . 3.680 2.606 2.381 2.861 . 0 0 "[ . 1 . 2]" 1
1135 1 63 THR HB 1 64 VAL QG . . 4.100 3.228 2.952 3.518 . 0 0 "[ . 1 . 2]" 1
1136 1 63 THR HB 1 90 VAL QG . . 3.270 2.147 1.960 2.604 . 0 0 "[ . 1 . 2]" 1
1137 1 63 THR HG1 1 64 VAL H . . 4.740 4.193 4.064 4.630 . 0 0 "[ . 1 . 2]" 1
1138 1 63 THR HG1 1 90 VAL QG . . 4.180 3.382 2.457 4.063 . 0 0 "[ . 1 . 2]" 1
1139 1 63 THR MG 1 64 VAL H . . 4.340 3.434 3.200 3.690 . 0 0 "[ . 1 . 2]" 1
1140 1 63 THR MG 1 64 VAL HA . . 4.010 3.631 3.408 3.991 . 0 0 "[ . 1 . 2]" 1
1141 1 63 THR MG 1 64 VAL QG . . 3.910 3.361 3.008 3.726 . 0 0 "[ . 1 . 2]" 1
1142 1 63 THR MG 1 90 VAL QG . . 2.910 1.981 1.874 2.113 . 0 0 "[ . 1 . 2]" 1
1143 1 63 THR MG 1 93 MET QB . . 4.510 4.582 4.438 4.647 0.137 4 0 "[ . 1 . 2]" 1
1144 1 63 THR MG 1 93 MET ME . . 3.810 3.865 3.725 3.929 0.119 15 0 "[ . 1 . 2]" 1
1145 1 64 VAL H 1 64 VAL HB . . 3.110 2.339 2.202 2.474 . 0 0 "[ . 1 . 2]" 1
1146 1 64 VAL H 1 64 VAL QG . . 3.010 2.165 2.074 2.336 . 0 0 "[ . 1 . 2]" 1
1147 1 64 VAL H 1 65 LYS H . . 3.440 2.790 2.709 2.859 . 0 0 "[ . 1 . 2]" 1
1148 1 64 VAL H 1 65 LYS HA . . 5.500 5.335 5.281 5.395 . 0 0 "[ . 1 . 2]" 1
1149 1 64 VAL H 1 90 VAL QG . . 4.310 3.261 3.034 3.476 . 0 0 "[ . 1 . 2]" 1
1150 1 64 VAL HA 1 64 VAL QG . . 2.700 2.128 2.038 2.180 . 0 0 "[ . 1 . 2]" 1
1151 1 64 VAL HA 1 67 HIS H . . 4.460 3.390 3.109 3.724 . 0 0 "[ . 1 . 2]" 1
1152 1 64 VAL HA 1 67 HIS HB2 . . 4.440 3.270 2.639 4.030 . 0 0 "[ . 1 . 2]" 1
1153 1 64 VAL HA 1 67 HIS HB3 . . 4.230 3.139 2.531 4.292 0.062 9 0 "[ . 1 . 2]" 1
1154 1 64 VAL HA 1 86 MET ME . . 3.750 3.362 2.912 3.735 . 0 0 "[ . 1 . 2]" 1
1155 1 64 VAL HA 1 90 VAL QG . . 4.650 3.766 3.420 3.985 . 0 0 "[ . 1 . 2]" 1
1156 1 64 VAL HB 1 65 LYS H . . 3.610 2.605 2.325 2.835 . 0 0 "[ . 1 . 2]" 1
1157 1 64 VAL HB 1 86 MET ME . . 5.500 4.681 4.401 4.977 . 0 0 "[ . 1 . 2]" 1
1158 1 64 VAL QG 1 65 LYS H . . 3.840 3.117 2.940 3.345 . 0 0 "[ . 1 . 2]" 1
1159 1 64 VAL QG 1 65 LYS HA . . 4.070 3.524 3.364 3.739 . 0 0 "[ . 1 . 2]" 1
1160 1 64 VAL QG 1 83 ILE HA . . 4.560 3.588 3.299 3.844 . 0 0 "[ . 1 . 2]" 1
1161 1 64 VAL QG 1 83 ILE MD . . 2.400 2.423 2.224 2.499 0.099 7 0 "[ . 1 . 2]" 1
1162 1 64 VAL QG 1 86 MET QB . . 3.900 3.442 3.150 3.586 . 0 0 "[ . 1 . 2]" 1
1163 1 64 VAL QG 1 86 MET ME . . 3.500 2.104 1.933 2.314 . 0 0 "[ . 1 . 2]" 1
1164 1 64 VAL QG 1 86 MET HG2 . . 3.130 2.051 1.958 2.187 . 0 0 "[ . 1 . 2]" 1
1165 1 64 VAL QG 1 87 GLU H . . 4.550 3.490 3.194 3.753 . 0 0 "[ . 1 . 2]" 1
1166 1 64 VAL QG 1 87 GLU HA . . 3.410 2.536 2.228 2.814 . 0 0 "[ . 1 . 2]" 1
1167 1 64 VAL QG 1 87 GLU QG . . 3.870 1.955 1.834 2.068 . 0 0 "[ . 1 . 2]" 1
1168 1 64 VAL QG 1 90 VAL QG . . 2.760 2.276 1.995 2.601 . 0 0 "[ . 1 . 2]" 1
1169 1 65 LYS H 1 65 LYS HB2 . . 3.210 2.349 2.286 2.594 . 0 0 "[ . 1 . 2]" 1
1170 1 65 LYS H 1 65 LYS HB3 . . 3.340 2.638 2.452 2.841 . 0 0 "[ . 1 . 2]" 1
1171 1 65 LYS H 1 65 LYS QD . . 4.660 4.681 4.494 4.860 0.200 13 0 "[ . 1 . 2]" 1
1172 1 65 LYS H 1 65 LYS HG2 . . 4.270 4.410 4.314 4.490 0.220 5 0 "[ . 1 . 2]" 1
1173 1 65 LYS H 1 65 LYS HG3 . . 4.420 4.348 4.183 4.474 0.054 11 0 "[ . 1 . 2]" 1
1174 1 65 LYS H 1 66 GLN H . . 3.550 2.972 2.877 3.167 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LYS H 1 68 THR H . . 5.500 4.828 4.730 4.951 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LYS HA 1 65 LYS HB2 . . 2.930 2.547 2.412 2.637 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LYS HA 1 65 LYS QD . . 4.100 4.138 3.542 4.262 0.162 13 0 "[ . 1 . 2]" 1
1178 1 65 LYS HA 1 65 LYS QE . . 4.950 4.042 3.644 4.904 . 0 0 "[ . 1 . 2]" 1
1179 1 65 LYS HA 1 65 LYS HG2 . . 3.690 2.550 2.341 3.126 . 0 0 "[ . 1 . 2]" 1
1180 1 65 LYS HA 1 65 LYS HG3 . . 3.680 2.938 2.513 3.480 . 0 0 "[ . 1 . 2]" 1
1181 1 65 LYS HA 1 68 THR H . . 3.990 3.521 3.211 3.748 . 0 0 "[ . 1 . 2]" 1
1182 1 65 LYS HA 1 68 THR HB . . 4.390 4.448 4.377 4.474 0.084 7 0 "[ . 1 . 2]" 1
1183 1 65 LYS HA 1 68 THR MG . . 4.010 3.734 3.384 4.037 0.027 13 0 "[ . 1 . 2]" 1
1184 1 65 LYS HA 1 69 VAL H . . 4.090 3.764 3.462 4.140 0.050 18 0 "[ . 1 . 2]" 1
1185 1 65 LYS HB2 1 65 LYS QD . . 3.240 2.871 2.503 3.350 0.110 7 0 "[ . 1 . 2]" 1
1186 1 65 LYS HB2 1 65 LYS QE . . 4.280 3.517 3.101 3.791 . 0 0 "[ . 1 . 2]" 1
1187 1 65 LYS HB2 1 66 GLN H . . 3.960 3.857 3.647 4.002 0.042 19 0 "[ . 1 . 2]" 1
1188 1 65 LYS HB3 1 65 LYS QD . . 3.180 2.533 2.323 2.928 . 0 0 "[ . 1 . 2]" 1
1189 1 65 LYS HB3 1 65 LYS QE . . 4.480 2.244 1.909 2.519 . 0 0 "[ . 1 . 2]" 1
1190 1 65 LYS HB3 1 66 GLN H . . 3.340 2.567 2.327 2.865 . 0 0 "[ . 1 . 2]" 1
1191 1 65 LYS QD 1 65 LYS HG2 . . 2.400 2.381 2.137 2.474 0.074 5 0 "[ . 1 . 2]" 1
1192 1 65 LYS QD 1 65 LYS HG3 . . 2.490 2.187 2.139 2.428 . 0 0 "[ . 1 . 2]" 1
1193 1 65 LYS QD 1 69 VAL QG . . 3.860 3.166 1.937 3.799 . 0 0 "[ . 1 . 2]" 1
1194 1 65 LYS QE 1 65 LYS HG2 . . 3.850 2.379 2.162 3.639 . 0 0 "[ . 1 . 2]" 1
1195 1 65 LYS QE 1 65 LYS HG3 . . 3.650 3.305 3.071 3.448 . 0 0 "[ . 1 . 2]" 1
1196 1 65 LYS QE 1 66 GLN HB2 . . 4.350 4.137 3.187 4.453 0.103 11 0 "[ . 1 . 2]" 1
1197 1 65 LYS QE 1 69 VAL QG . . 4.070 2.380 1.842 3.516 . 0 0 "[ . 1 . 2]" 1
1198 1 65 LYS HG2 1 66 GLN H . . 4.780 4.149 3.264 4.517 . 0 0 "[ . 1 . 2]" 1
1199 1 65 LYS HG2 1 69 VAL QG . . 3.850 2.396 2.072 3.035 . 0 0 "[ . 1 . 2]" 1
1200 1 65 LYS HG3 1 66 GLN H . . 5.020 5.019 4.466 5.322 0.302 19 0 "[ . 1 . 2]" 1
1201 1 65 LYS HG3 1 69 VAL QG . . 3.640 3.627 3.257 3.899 0.259 18 0 "[ . 1 . 2]" 1
1202 1 66 GLN H 1 66 GLN HB2 . . 3.420 2.157 1.995 2.308 . 0 0 "[ . 1 . 2]" 1
1203 1 66 GLN H 1 66 GLN HB3 . . 3.480 3.381 3.029 3.556 0.076 14 0 "[ . 1 . 2]" 1
1204 1 66 GLN H 1 66 GLN HG2 . . 3.580 3.276 2.454 3.655 0.075 13 0 "[ . 1 . 2]" 1
1205 1 66 GLN H 1 66 GLN HG3 . . 4.110 3.968 3.605 4.188 0.078 13 0 "[ . 1 . 2]" 1
1206 1 66 GLN H 1 67 HIS H . . 3.600 2.774 2.619 3.008 . 0 0 "[ . 1 . 2]" 1
1207 1 66 GLN H 1 68 THR H . . 4.920 4.325 4.001 4.690 . 0 0 "[ . 1 . 2]" 1
1208 1 66 GLN HA 1 66 GLN HG2 . . 3.540 2.546 2.110 3.107 . 0 0 "[ . 1 . 2]" 1
1209 1 66 GLN HA 1 66 GLN HG3 . . 3.990 3.626 3.371 3.843 . 0 0 "[ . 1 . 2]" 1
1210 1 66 GLN HA 1 68 THR H . . 4.960 4.481 3.602 4.858 . 0 0 "[ . 1 . 2]" 1
1211 1 66 GLN HA 1 69 VAL H . . 3.520 3.503 3.234 3.604 0.084 15 0 "[ . 1 . 2]" 1
1212 1 66 GLN HA 1 69 VAL HB . . 2.740 2.425 2.160 2.829 0.089 11 0 "[ . 1 . 2]" 1
1213 1 66 GLN HA 1 69 VAL QG . . 3.680 3.000 1.888 3.434 . 0 0 "[ . 1 . 2]" 1
1214 1 66 GLN HA 1 70 THR H . . 3.680 3.522 2.352 3.769 0.089 11 0 "[ . 1 . 2]" 1
1215 1 66 GLN HB2 1 66 GLN HG2 . . 2.990 2.552 2.398 2.862 . 0 0 "[ . 1 . 2]" 1
1216 1 66 GLN HB2 1 67 HIS H . . 4.140 3.253 2.712 3.804 . 0 0 "[ . 1 . 2]" 1
1217 1 66 GLN HB3 1 67 HIS H . . 4.440 3.332 2.820 4.341 . 0 0 "[ . 1 . 2]" 1
1218 1 66 GLN QE 1 69 VAL QG . . 4.400 2.879 2.280 3.553 . 0 0 "[ . 1 . 2]" 1
1219 1 66 GLN QE 1 70 THR MG . . 4.960 4.151 3.365 4.686 . 0 0 "[ . 1 . 2]" 1
1220 1 67 HIS H 1 67 HIS HB2 . . 3.570 2.367 2.115 2.831 . 0 0 "[ . 1 . 2]" 1
1221 1 67 HIS H 1 67 HIS HB3 . . 3.540 2.808 2.471 3.568 0.028 9 0 "[ . 1 . 2]" 1
1222 1 67 HIS H 1 67 HIS HD2 . . 5.210 5.010 3.442 5.293 0.083 1 0 "[ . 1 . 2]" 1
1223 1 67 HIS H 1 68 THR H . . 2.690 2.631 2.029 2.753 0.063 18 0 "[ . 1 . 2]" 1
1224 1 67 HIS HA 1 70 THR HB . . 4.080 3.097 2.260 5.190 1.110 11 1 "[ . 1+ . 2]" 1
1225 1 67 HIS HA 1 70 THR MG . . 5.240 3.729 2.900 4.596 . 0 0 "[ . 1 . 2]" 1
1226 1 67 HIS HB2 1 68 THR H . . 4.500 3.692 2.535 4.160 . 0 0 "[ . 1 . 2]" 1
1227 1 67 HIS HB3 1 68 THR H . . 4.520 2.795 2.242 3.566 . 0 0 "[ . 1 . 2]" 1
1228 1 67 HIS HB3 1 86 MET ME . . 3.730 3.210 2.481 3.752 0.022 5 0 "[ . 1 . 2]" 1
1229 1 67 HIS HD2 1 68 THR MG . . 4.790 4.580 3.033 5.967 1.177 18 6 "[ *. *-1 * *+ 2]" 1
1230 1 67 HIS HD2 1 86 MET ME . . 3.980 3.288 2.252 4.080 0.100 9 0 "[ . 1 . 2]" 1
1231 1 68 THR H 1 68 THR HB . . 3.740 3.549 3.448 3.634 . 0 0 "[ . 1 . 2]" 1
1232 1 68 THR H 1 68 THR MG . . 3.770 2.383 2.139 2.696 . 0 0 "[ . 1 . 2]" 1
1233 1 68 THR H 1 69 VAL H . . 3.340 2.764 2.352 2.942 . 0 0 "[ . 1 . 2]" 1
1234 1 68 THR H 1 69 VAL QG . . 5.500 4.222 3.759 4.434 . 0 0 "[ . 1 . 2]" 1
1235 1 68 THR HA 1 68 THR MG . . 3.180 2.317 2.201 2.417 . 0 0 "[ . 1 . 2]" 1
1236 1 68 THR HA 1 71 THR H . . 4.640 3.554 3.095 4.239 . 0 0 "[ . 1 . 2]" 1
1237 1 68 THR HA 1 71 THR HB . . 2.950 3.036 2.265 4.275 1.325 13 3 "[ . 1 +-* 2]" 1
1238 1 68 THR HA 1 78 PHE QD . . 4.180 3.512 2.969 3.971 . 0 0 "[ . 1 . 2]" 1
1239 1 68 THR HB 1 69 VAL H . . 3.680 3.598 3.040 3.752 0.072 8 0 "[ . 1 . 2]" 1
1240 1 68 THR HB 1 78 PHE QD . . 4.930 4.450 3.438 5.001 0.071 7 0 "[ . 1 . 2]" 1
1241 1 68 THR HB 1 83 ILE MD . . 5.040 4.292 3.843 4.780 . 0 0 "[ . 1 . 2]" 1
1242 1 68 THR MG 1 69 VAL H . . 4.190 4.103 3.954 4.271 0.081 18 0 "[ . 1 . 2]" 1
1243 1 68 THR MG 1 78 PHE HB2 . . 4.690 3.321 2.633 3.924 . 0 0 "[ . 1 . 2]" 1
1244 1 68 THR MG 1 78 PHE QD . . 4.070 2.758 2.093 3.372 . 0 0 "[ . 1 . 2]" 1
1245 1 68 THR MG 1 83 ILE MD . . 3.320 2.162 1.953 2.401 . 0 0 "[ . 1 . 2]" 1
1246 1 68 THR MG 1 83 ILE MG . . 3.710 3.841 3.812 3.856 0.146 3 0 "[ . 1 . 2]" 1
1247 1 68 THR MG 1 86 MET ME . . 3.270 2.655 2.253 3.085 . 0 0 "[ . 1 . 2]" 1
1248 1 69 VAL H 1 69 VAL HB . . 3.380 2.312 2.143 2.432 . 0 0 "[ . 1 . 2]" 1
1249 1 69 VAL H 1 69 VAL QG . . 3.420 2.166 1.943 2.622 . 0 0 "[ . 1 . 2]" 1
1250 1 69 VAL H 1 70 THR H . . 3.460 3.040 2.736 3.363 . 0 0 "[ . 1 . 2]" 1
1251 1 69 VAL HA 1 69 VAL QG . . 2.980 2.144 2.016 2.231 . 0 0 "[ . 1 . 2]" 1
1252 1 69 VAL HA 1 71 THR H . . 4.820 4.059 3.713 4.531 . 0 0 "[ . 1 . 2]" 1
1253 1 69 VAL HA 1 72 THR H . . 4.930 3.363 2.949 3.906 . 0 0 "[ . 1 . 2]" 1
1254 1 69 VAL HA 1 72 THR HB . . 4.050 2.751 2.323 3.507 . 0 0 "[ . 1 . 2]" 1
1255 1 69 VAL HA 1 72 THR MG . . 4.100 3.466 2.569 4.196 0.096 18 0 "[ . 1 . 2]" 1
1256 1 69 VAL HB 1 70 THR H . . 3.490 2.578 2.290 3.566 0.076 11 0 "[ . 1 . 2]" 1
1257 1 69 VAL QG 1 70 THR H . . 3.770 2.865 1.758 3.070 . 0 0 "[ . 1 . 2]" 1
1258 1 69 VAL QG 1 70 THR HA . . 4.090 3.245 2.926 3.527 . 0 0 "[ . 1 . 2]" 1
1259 1 69 VAL QG 1 70 THR HB . . 4.500 4.227 3.743 4.385 . 0 0 "[ . 1 . 2]" 1
1260 1 69 VAL QG 1 71 THR H . . 4.370 4.324 3.866 4.437 0.067 7 0 "[ . 1 . 2]" 1
1261 1 70 THR H 1 70 THR HB . . 3.430 2.075 1.932 3.486 0.056 11 0 "[ . 1 . 2]" 1
1262 1 70 THR H 1 70 THR MG . . 3.490 3.408 2.255 3.500 0.010 4 0 "[ . 1 . 2]" 1
1263 1 70 THR H 1 71 THR H . . 2.990 2.765 2.536 2.919 . 0 0 "[ . 1 . 2]" 1
1264 1 70 THR HA 1 70 THR MG . . 2.880 2.656 2.237 2.978 0.098 14 0 "[ . 1 . 2]" 1
1265 1 70 THR HA 1 71 THR H . . 3.450 3.549 3.462 3.658 0.208 13 0 "[ . 1 . 2]" 1
1266 1 70 THR HB 1 71 THR H . . 3.560 3.245 2.699 3.529 . 0 0 "[ . 1 . 2]" 1
1267 1 70 THR MG 1 71 THR H . . 3.810 3.526 2.884 3.924 0.114 11 0 "[ . 1 . 2]" 1
1268 1 71 THR H 1 71 THR HB . . 3.440 2.679 2.090 3.522 0.082 15 0 "[ . 1 . 2]" 1
1269 1 71 THR H 1 71 THR MG . . 4.010 3.594 2.604 3.722 . 0 0 "[ . 1 . 2]" 1
1270 1 71 THR H 1 72 THR H . . 3.230 2.470 2.178 2.777 . 0 0 "[ . 1 . 2]" 1
1271 1 71 THR HA 1 71 THR MG . . 3.010 2.280 2.080 3.040 0.030 18 0 "[ . 1 . 2]" 1
1272 1 71 THR HA 1 72 THR H . . 3.560 3.485 3.354 3.638 0.078 18 0 "[ . 1 . 2]" 1
1273 1 71 THR HA 1 74 LYS H . . 3.720 3.136 2.502 3.527 . 0 0 "[ . 1 . 2]" 1
1274 1 71 THR HA 1 74 LYS HB2 . . 4.190 2.847 1.998 3.534 . 0 0 "[ . 1 . 2]" 1
1275 1 71 THR HA 1 74 LYS HB3 . . 4.950 4.455 3.546 5.015 0.065 14 0 "[ . 1 . 2]" 1
1276 1 71 THR HA 1 74 LYS QD . . 4.380 3.802 2.194 4.462 0.082 15 0 "[ . 1 . 2]" 1
1277 1 71 THR HA 1 74 LYS QE . . 5.500 5.234 2.948 5.572 0.072 14 0 "[ . 1 . 2]" 1
1278 1 71 THR HA 1 74 LYS QG . . 4.300 2.855 2.278 4.245 . 0 0 "[ . 1 . 2]" 1
1279 1 71 THR HB 1 72 THR H . . 3.690 3.461 2.728 3.751 0.061 15 0 "[ . 1 . 2]" 1
1280 1 71 THR HB 1 76 GLU H . . 4.700 4.093 3.288 4.800 0.100 18 0 "[ . 1 . 2]" 1
1281 1 71 THR HB 1 76 GLU QB . . 3.930 3.210 1.918 4.031 0.101 8 0 "[ . 1 . 2]" 1
1282 1 71 THR HB 1 76 GLU QG . . 4.580 3.152 2.118 4.370 . 0 0 "[ . 1 . 2]" 1
1283 1 71 THR MG 1 72 THR H . . 4.170 4.167 2.587 4.275 0.105 8 0 "[ . 1 . 2]" 1
1284 1 71 THR MG 1 72 THR HA . . 5.500 4.515 2.881 5.509 0.009 13 0 "[ . 1 . 2]" 1
1285 1 71 THR MG 1 73 THR H . . 5.500 5.114 4.726 5.588 0.088 15 0 "[ . 1 . 2]" 1
1286 1 71 THR MG 1 76 GLU H . . 4.490 3.073 2.472 4.559 0.069 13 0 "[ . 1 . 2]" 1
1287 1 71 THR MG 1 76 GLU QB . . 4.260 2.929 2.006 4.002 . 0 0 "[ . 1 . 2]" 1
1288 1 71 THR MG 1 78 PHE QD . . 4.970 3.813 2.224 5.085 0.115 14 0 "[ . 1 . 2]" 1
1289 1 71 THR MG 1 78 PHE QE . . 4.970 2.749 2.070 3.609 . 0 0 "[ . 1 . 2]" 1
1290 1 71 THR MG 1 78 PHE HZ . . 5.500 3.613 2.231 5.276 . 0 0 "[ . 1 . 2]" 1
1291 1 72 THR H 1 72 THR HB . . 3.330 2.144 1.964 2.323 . 0 0 "[ . 1 . 2]" 1
1292 1 72 THR H 1 72 THR MG . . 3.390 2.889 2.229 3.506 0.116 18 0 "[ . 1 . 2]" 1
1293 1 72 THR H 1 73 THR H . . 2.970 2.830 2.515 3.031 0.061 20 0 "[ . 1 . 2]" 1
1294 1 72 THR HA 1 72 THR HB . . 2.690 2.657 2.443 2.802 0.112 18 0 "[ . 1 . 2]" 1
1295 1 72 THR HA 1 72 THR MG . . 3.190 3.116 2.451 3.279 0.089 9 0 "[ . 1 . 2]" 1
1296 1 72 THR HA 1 73 THR H . . 3.630 3.584 3.531 3.647 0.017 15 0 "[ . 1 . 2]" 1
1297 1 72 THR HA 1 75 GLY H . . 4.510 3.382 2.611 3.887 . 0 0 "[ . 1 . 2]" 1
1298 1 72 THR HA 1 76 GLU H . . 4.280 2.921 2.425 3.579 . 0 0 "[ . 1 . 2]" 1
1299 1 72 THR HB 1 73 THR H . . 3.800 3.647 2.758 3.871 0.071 12 0 "[ . 1 . 2]" 1
1300 1 72 THR MG 1 73 THR H . . 3.330 2.424 1.970 3.313 . 0 0 "[ . 1 . 2]" 1
1301 1 73 THR H 1 73 THR HB . . 2.970 2.441 2.240 2.678 . 0 0 "[ . 1 . 2]" 1
1302 1 73 THR H 1 74 LYS H . . 3.070 2.740 2.613 2.909 . 0 0 "[ . 1 . 2]" 1
1303 1 73 THR HA 1 73 THR MG . . 2.570 2.443 2.355 2.562 . 0 0 "[ . 1 . 2]" 1
1304 1 73 THR HA 1 74 LYS H . . 3.460 3.477 3.337 3.533 0.073 16 0 "[ . 1 . 2]" 1
1305 1 73 THR HA 1 75 GLY H . . 4.120 3.814 3.225 4.192 0.072 14 0 "[ . 1 . 2]" 1
1306 1 73 THR HB 1 74 LYS H . . 3.620 3.064 2.606 3.561 . 0 0 "[ . 1 . 2]" 1
1307 1 73 THR MG 1 74 LYS H . . 3.890 3.860 3.504 4.005 0.115 11 0 "[ . 1 . 2]" 1
1308 1 73 THR MG 1 74 LYS HA . . 5.500 4.012 3.634 4.344 . 0 0 "[ . 1 . 2]" 1
1309 1 73 THR MG 1 74 LYS QE . . 4.490 4.393 2.574 4.602 0.112 13 0 "[ . 1 . 2]" 1
1310 1 73 THR MG 1 75 GLY H . . 5.500 4.912 4.573 5.139 . 0 0 "[ . 1 . 2]" 1
1311 1 74 LYS H 1 74 LYS HB2 . . 3.420 2.541 2.247 2.707 . 0 0 "[ . 1 . 2]" 1
1312 1 74 LYS H 1 74 LYS HB3 . . 3.640 3.656 3.518 3.715 0.075 12 0 "[ . 1 . 2]" 1
1313 1 74 LYS H 1 74 LYS QD . . 4.450 4.321 3.339 4.533 0.083 5 0 "[ . 1 . 2]" 1
1314 1 74 LYS H 1 74 LYS QG . . 4.100 2.650 2.369 3.268 . 0 0 "[ . 1 . 2]" 1
1315 1 74 LYS H 1 75 GLY H . . 3.290 2.433 2.227 2.766 . 0 0 "[ . 1 . 2]" 1
1316 1 74 LYS HA 1 74 LYS QD . . 4.060 3.942 2.563 4.148 0.088 3 0 "[ . 1 . 2]" 1
1317 1 74 LYS HA 1 74 LYS QE . . 3.780 3.283 2.374 3.873 0.093 19 0 "[ . 1 . 2]" 1
1318 1 74 LYS HA 1 74 LYS QG . . 3.550 2.389 2.171 2.533 . 0 0 "[ . 1 . 2]" 1
1319 1 74 LYS HA 1 75 GLY H . . 3.280 3.207 2.975 3.363 0.083 14 0 "[ . 1 . 2]" 1
1320 1 74 LYS HA 1 76 GLU H . . 4.690 4.733 4.607 4.780 0.090 10 0 "[ . 1 . 2]" 1
1321 1 74 LYS HB2 1 74 LYS QD . . 3.000 2.763 2.346 3.078 0.078 20 0 "[ . 1 . 2]" 1
1322 1 74 LYS HB2 1 74 LYS QE . . 4.290 3.575 3.088 4.342 0.052 15 0 "[ . 1 . 2]" 1
1323 1 74 LYS HB2 1 75 GLY H . . 4.390 3.790 2.986 4.062 . 0 0 "[ . 1 . 2]" 1
1324 1 74 LYS HB2 1 76 GLU H . . 3.840 3.473 2.991 3.823 . 0 0 "[ . 1 . 2]" 1
1325 1 74 LYS HB3 1 74 LYS QD . . 3.180 2.538 2.103 3.261 0.081 10 0 "[ . 1 . 2]" 1
1326 1 74 LYS HB3 1 74 LYS QE . . 4.250 2.510 1.872 4.015 . 0 0 "[ . 1 . 2]" 1
1327 1 74 LYS HB3 1 75 GLY H . . 4.460 4.393 3.981 4.524 0.064 17 0 "[ . 1 . 2]" 1
1328 1 74 LYS HB3 1 76 GLU H . . 4.760 4.543 4.094 4.807 0.047 7 0 "[ . 1 . 2]" 1
1329 1 74 LYS QD 1 74 LYS QG . . 2.400 2.035 1.989 2.114 . 0 0 "[ . 1 . 2]" 1
1330 1 74 LYS QG 1 75 GLY H . . 4.810 4.364 3.984 4.646 . 0 0 "[ . 1 . 2]" 1
1331 1 75 GLY H 1 76 GLU H . . 3.220 2.605 2.241 2.925 . 0 0 "[ . 1 . 2]" 1
1332 1 76 GLU H 1 76 GLU QB . . 3.270 2.667 2.093 3.352 0.082 5 0 "[ . 1 . 2]" 1
1333 1 76 GLU H 1 76 GLU QG . . 3.790 3.115 2.474 3.747 . 0 0 "[ . 1 . 2]" 1
1334 1 76 GLU H 1 77 ASN H . . 4.010 4.500 3.332 4.746 0.736 2 12 "[*+**** *1* *.* -*2]" 1
1335 1 76 GLU HA 1 76 GLU QG . . 3.490 2.291 2.075 2.632 . 0 0 "[ . 1 . 2]" 1
1336 1 76 GLU HA 1 77 ASN H . . 2.830 2.453 2.079 2.925 0.095 7 0 "[ . 1 . 2]" 1
1337 1 76 GLU QB 1 77 ASN H . . 3.680 2.611 1.735 3.761 0.081 10 0 "[ . 1 . 2]" 1
1338 1 76 GLU QB 1 78 PHE QD . . 4.420 3.976 2.867 4.525 0.105 13 0 "[ . 1 . 2]" 1
1339 1 76 GLU QG 1 77 ASN H . . 4.670 3.457 2.431 4.044 . 0 0 "[ . 1 . 2]" 1
1340 1 76 GLU QG 1 78 PHE QD . . 5.500 4.410 2.050 6.451 0.951 13 2 "[ . 1 + - 2]" 1
1341 1 77 ASN H 1 77 ASN HB2 . . 3.640 3.389 2.947 3.735 0.095 15 0 "[ . 1 . 2]" 1
1342 1 77 ASN H 1 77 ASN HB3 . . 3.440 3.019 2.490 3.529 0.089 7 0 "[ . 1 . 2]" 1
1343 1 77 ASN H 1 77 ASN QD . . 4.690 4.435 3.783 4.601 . 0 0 "[ . 1 . 2]" 1
1344 1 77 ASN H 1 78 PHE H . . 3.100 2.638 1.568 4.494 1.394 14 5 "[* . 1 *+- * 2]" 1
1345 1 77 ASN HA 1 78 PHE H . . 3.630 3.219 2.327 3.634 0.004 19 0 "[ . 1 . 2]" 1
1346 1 77 ASN HB2 1 78 PHE H . . 4.000 3.900 2.409 4.317 0.317 9 0 "[ . 1 . 2]" 1
1347 1 77 ASN HB2 1 78 PHE HA . . 5.500 5.489 4.429 6.154 0.654 3 3 "[ + . 1 - .* 2]" 1
1348 1 77 ASN HB3 1 78 PHE H . . 4.120 3.272 1.880 4.155 0.035 8 0 "[ . 1 . 2]" 1
1349 1 77 ASN QD 1 78 PHE QE . . 4.390 6.174 3.333 8.170 3.780 9 16 "[*** . - +***********]" 1
1350 1 77 ASN QD 1 79 THR MG . . 5.290 3.681 2.147 4.856 . 0 0 "[ . 1 . 2]" 1
1351 1 78 PHE H 1 78 PHE HB2 . . 3.320 2.822 2.283 3.416 0.096 3 0 "[ . 1 . 2]" 1
1352 1 78 PHE H 1 78 PHE HB3 . . 3.860 3.736 3.526 3.939 0.079 19 0 "[ . 1 . 2]" 1
1353 1 78 PHE H 1 78 PHE QD . . 4.100 2.802 1.918 4.125 0.025 18 0 "[ . 1 . 2]" 1
1354 1 78 PHE H 1 79 THR H . . 4.970 4.501 4.192 4.683 . 0 0 "[ . 1 . 2]" 1
1355 1 78 PHE HA 1 78 PHE QD . . 3.500 2.987 2.405 3.232 . 0 0 "[ . 1 . 2]" 1
1356 1 78 PHE HA 1 79 THR H . . 3.130 2.420 2.131 2.938 . 0 0 "[ . 1 . 2]" 1
1357 1 78 PHE HA 1 79 THR MG . . 4.170 3.667 3.193 3.977 . 0 0 "[ . 1 . 2]" 1
1358 1 78 PHE HA 1 82 ASP HB2 . . 4.630 3.716 2.607 4.693 0.063 10 0 "[ . 1 . 2]" 1
1359 1 78 PHE HA 1 82 ASP HB3 . . 4.830 3.719 2.859 4.791 . 0 0 "[ . 1 . 2]" 1
1360 1 78 PHE HB2 1 79 THR H . . 4.700 3.753 2.997 4.468 . 0 0 "[ . 1 . 2]" 1
1361 1 78 PHE HB2 1 83 ILE MD . . 4.150 2.457 2.139 2.890 . 0 0 "[ . 1 . 2]" 1
1362 1 78 PHE HB2 1 83 ILE HG12 . . 4.370 3.120 2.522 3.703 . 0 0 "[ . 1 . 2]" 1
1363 1 78 PHE HB2 1 86 MET ME . . 4.820 4.254 3.600 4.625 . 0 0 "[ . 1 . 2]" 1
1364 1 78 PHE HB3 1 79 THR H . . 3.660 2.658 1.804 3.701 0.041 6 0 "[ . 1 . 2]" 1
1365 1 78 PHE HB3 1 82 ASP H . . 5.210 4.825 4.535 5.264 0.054 5 0 "[ . 1 . 2]" 1
1366 1 78 PHE HB3 1 82 ASP HB3 . . 5.500 3.199 2.501 4.208 . 0 0 "[ . 1 . 2]" 1
1367 1 78 PHE HB3 1 83 ILE MD . . 3.990 2.557 2.162 3.168 . 0 0 "[ . 1 . 2]" 1
1368 1 78 PHE HB3 1 83 ILE HG12 . . 4.500 2.405 2.178 2.679 . 0 0 "[ . 1 . 2]" 1
1369 1 78 PHE HB3 1 83 ILE HG13 . . 4.700 3.798 3.381 4.126 . 0 0 "[ . 1 . 2]" 1
1370 1 78 PHE HB3 1 86 MET ME . . 3.990 3.784 3.204 4.080 0.090 10 0 "[ . 1 . 2]" 1
1371 1 78 PHE QD 1 79 THR H . . 4.530 3.910 3.394 4.582 0.052 6 0 "[ . 1 . 2]" 1
1372 1 78 PHE QD 1 82 ASP HB2 . . 4.550 3.574 2.578 4.646 0.096 8 0 "[ . 1 . 2]" 1
1373 1 78 PHE QD 1 82 ASP HB3 . . 4.340 2.660 2.197 3.563 . 0 0 "[ . 1 . 2]" 1
1374 1 78 PHE QD 1 83 ILE MD . . 4.240 2.977 2.468 3.563 . 0 0 "[ . 1 . 2]" 1
1375 1 78 PHE QD 1 86 MET ME . . 3.610 3.003 2.448 3.742 0.132 10 0 "[ . 1 . 2]" 1
1376 1 78 PHE QE 1 86 MET ME . . 4.280 3.183 2.521 4.369 0.089 8 0 "[ . 1 . 2]" 1
1377 1 79 THR H 1 79 THR MG . . 3.220 2.841 2.126 3.330 0.110 20 0 "[ . 1 . 2]" 1
1378 1 79 THR H 1 82 ASP H . . 4.270 3.462 3.108 4.149 . 0 0 "[ . 1 . 2]" 1
1379 1 79 THR H 1 82 ASP HB2 . . 3.690 2.460 1.801 3.061 . 0 0 "[ . 1 . 2]" 1
1380 1 79 THR H 1 82 ASP HB3 . . 4.280 3.044 1.906 4.045 . 0 0 "[ . 1 . 2]" 1
1381 1 79 THR H 1 83 ILE H . . 5.090 3.724 3.209 4.554 . 0 0 "[ . 1 . 2]" 1
1382 1 79 THR HA 1 79 THR MG . . 3.190 2.373 2.213 2.541 . 0 0 "[ . 1 . 2]" 1
1383 1 79 THR HA 1 80 GLU H . . 3.230 2.500 2.297 2.639 . 0 0 "[ . 1 . 2]" 1
1384 1 79 THR HA 1 80 GLU HB2 . . 4.880 4.478 4.225 4.669 . 0 0 "[ . 1 . 2]" 1
1385 1 79 THR HB 1 80 GLU H . . 3.340 2.649 2.422 3.003 . 0 0 "[ . 1 . 2]" 1
1386 1 79 THR HB 1 81 THR H . . 4.090 3.424 2.919 4.111 0.021 6 0 "[ . 1 . 2]" 1
1387 1 79 THR MG 1 80 GLU H . . 3.950 3.852 3.574 4.034 0.084 3 0 "[ . 1 . 2]" 1
1388 1 79 THR MG 1 81 THR H . . 4.880 4.831 4.364 5.157 0.277 5 0 "[ . 1 . 2]" 1
1389 1 79 THR MG 1 82 ASP H . . 4.720 4.519 3.949 4.805 0.085 9 0 "[ . 1 . 2]" 1
1390 1 79 THR MG 1 82 ASP HB2 . . 5.210 4.202 3.479 4.728 . 0 0 "[ . 1 . 2]" 1
1391 1 80 GLU H 1 80 GLU HB2 . . 3.170 2.046 1.940 2.160 . 0 0 "[ . 1 . 2]" 1
1392 1 80 GLU H 1 80 GLU HB3 . . 3.360 3.166 2.700 3.432 0.072 16 0 "[ . 1 . 2]" 1
1393 1 80 GLU H 1 80 GLU HG2 . . 4.140 4.048 3.051 4.285 0.145 5 0 "[ . 1 . 2]" 1
1394 1 80 GLU H 1 80 GLU HG3 . . 4.230 3.754 2.938 4.298 0.068 15 0 "[ . 1 . 2]" 1
1395 1 80 GLU H 1 81 THR H . . 3.640 2.934 2.490 3.214 . 0 0 "[ . 1 . 2]" 1
1396 1 80 GLU HA 1 80 GLU HB3 . . 3.010 2.922 2.718 3.064 0.054 15 0 "[ . 1 . 2]" 1
1397 1 80 GLU HA 1 80 GLU HG2 . . 3.740 2.489 2.141 3.615 . 0 0 "[ . 1 . 2]" 1
1398 1 80 GLU HA 1 80 GLU HG3 . . 3.920 2.855 2.240 3.580 . 0 0 "[ . 1 . 2]" 1
1399 1 80 GLU HA 1 82 ASP H . . 5.220 4.267 4.018 4.495 . 0 0 "[ . 1 . 2]" 1
1400 1 80 GLU HA 1 83 ILE H . . 4.130 3.500 3.266 3.718 . 0 0 "[ . 1 . 2]" 1
1401 1 80 GLU HA 1 83 ILE HB . . 3.450 2.645 2.270 2.938 . 0 0 "[ . 1 . 2]" 1
1402 1 80 GLU HA 1 83 ILE MD . . 4.780 4.779 4.580 4.872 0.092 13 0 "[ . 1 . 2]" 1
1403 1 80 GLU HA 1 83 ILE HG12 . . 4.640 3.619 3.128 4.249 . 0 0 "[ . 1 . 2]" 1
1404 1 80 GLU HA 1 83 ILE HG13 . . 4.810 3.530 3.122 3.805 . 0 0 "[ . 1 . 2]" 1
1405 1 80 GLU HA 1 83 ILE MG . . 4.380 3.949 3.538 4.227 . 0 0 "[ . 1 . 2]" 1
1406 1 80 GLU HB2 1 80 GLU HG2 . . 3.030 2.843 2.447 3.056 0.026 3 0 "[ . 1 . 2]" 1
1407 1 80 GLU HB2 1 80 GLU HG3 . . 2.610 2.477 2.252 3.050 0.440 6 0 "[ . 1 . 2]" 1
1408 1 80 GLU HB2 1 81 THR H . . 3.160 3.172 2.875 3.255 0.095 15 0 "[ . 1 . 2]" 1
1409 1 80 GLU HB3 1 80 GLU HG3 . . 2.620 2.832 2.415 3.047 0.427 14 0 "[ . 1 . 2]" 1
1410 1 80 GLU HB3 1 81 THR H . . 3.290 2.680 1.952 3.171 . 0 0 "[ . 1 . 2]" 1
1411 1 80 GLU HB3 1 81 THR HA . . 5.500 4.011 3.824 4.299 . 0 0 "[ . 1 . 2]" 1
1412 1 80 GLU HG2 1 81 THR H . . 4.940 4.734 4.025 5.067 0.127 6 0 "[ . 1 . 2]" 1
1413 1 80 GLU HG3 1 81 THR H . . 5.000 4.914 4.404 5.079 0.079 3 0 "[ . 1 . 2]" 1
1414 1 81 THR H 1 81 THR HB . . 3.350 2.635 2.298 2.909 . 0 0 "[ . 1 . 2]" 1
1415 1 81 THR H 1 81 THR MG . . 4.100 3.751 3.605 3.835 . 0 0 "[ . 1 . 2]" 1
1416 1 81 THR H 1 82 ASP H . . 3.460 2.816 2.577 2.944 . 0 0 "[ . 1 . 2]" 1
1417 1 81 THR HA 1 81 THR MG . . 3.150 2.403 2.265 2.630 . 0 0 "[ . 1 . 2]" 1
1418 1 81 THR HA 1 84 LYS H . . 4.180 3.454 3.108 3.790 . 0 0 "[ . 1 . 2]" 1
1419 1 81 THR HA 1 84 LYS HB2 . . 3.950 2.926 2.215 4.429 0.479 1 0 "[ . 1 . 2]" 1
1420 1 81 THR HA 1 84 LYS HB3 . . 4.440 4.253 2.881 4.519 0.079 3 0 "[ . 1 . 2]" 1
1421 1 81 THR HA 1 84 LYS QD . . 4.490 3.944 3.078 4.497 0.007 12 0 "[ . 1 . 2]" 1
1422 1 81 THR HA 1 85 ILE H . . 4.890 3.979 3.661 4.474 . 0 0 "[ . 1 . 2]" 1
1423 1 81 THR HB 1 82 ASP H . . 3.650 2.772 2.375 3.437 . 0 0 "[ . 1 . 2]" 1
1424 1 81 THR MG 1 82 ASP H . . 4.140 3.746 3.156 4.002 . 0 0 "[ . 1 . 2]" 1
1425 1 81 THR MG 1 82 ASP HA . . 4.130 3.811 3.229 4.211 0.081 3 0 "[ . 1 . 2]" 1
1426 1 81 THR MG 1 85 ILE H . . 4.610 4.169 3.621 4.718 0.108 8 0 "[ . 1 . 2]" 1
1427 1 81 THR MG 1 85 ILE HG13 . . 3.970 3.065 2.444 3.964 . 0 0 "[ . 1 . 2]" 1
1428 1 82 ASP H 1 82 ASP HB2 . . 3.750 2.408 2.127 2.727 . 0 0 "[ . 1 . 2]" 1
1429 1 82 ASP H 1 82 ASP HB3 . . 4.070 3.261 2.676 3.683 . 0 0 "[ . 1 . 2]" 1
1430 1 82 ASP H 1 83 ILE H . . 3.410 2.525 2.095 2.691 . 0 0 "[ . 1 . 2]" 1
1431 1 82 ASP H 1 83 ILE HB . . 5.030 4.516 3.923 4.690 . 0 0 "[ . 1 . 2]" 1
1432 1 82 ASP H 1 83 ILE HG12 . . 5.070 4.392 4.149 4.659 . 0 0 "[ . 1 . 2]" 1
1433 1 82 ASP H 1 84 LYS H . . 4.040 4.012 3.690 4.118 0.078 18 0 "[ . 1 . 2]" 1
1434 1 82 ASP HA 1 85 ILE H . . 5.160 3.742 3.371 4.129 . 0 0 "[ . 1 . 2]" 1
1435 1 82 ASP HA 1 85 ILE HB . . 3.930 2.968 2.690 3.322 . 0 0 "[ . 1 . 2]" 1
1436 1 82 ASP HA 1 85 ILE MD . . 4.650 3.753 3.291 4.760 0.110 8 0 "[ . 1 . 2]" 1
1437 1 82 ASP HA 1 86 MET H . . 5.470 4.015 3.713 4.267 . 0 0 "[ . 1 . 2]" 1
1438 1 82 ASP HB2 1 83 ILE H . . 3.530 3.002 2.431 3.601 0.071 5 0 "[ . 1 . 2]" 1
1439 1 82 ASP HB3 1 83 ILE H . . 4.440 3.122 2.331 3.717 . 0 0 "[ . 1 . 2]" 1
1440 1 82 ASP HB3 1 86 MET ME . . 4.450 4.211 3.443 4.555 0.105 8 0 "[ . 1 . 2]" 1
1441 1 83 ILE H 1 83 ILE HB . . 3.220 2.396 2.258 2.492 . 0 0 "[ . 1 . 2]" 1
1442 1 83 ILE H 1 83 ILE MD . . 4.010 3.436 3.093 3.785 . 0 0 "[ . 1 . 2]" 1
1443 1 83 ILE H 1 83 ILE HG12 . . 3.430 2.321 2.232 2.413 . 0 0 "[ . 1 . 2]" 1
1444 1 83 ILE H 1 83 ILE HG13 . . 3.700 3.622 3.349 3.752 0.052 15 0 "[ . 1 . 2]" 1
1445 1 83 ILE H 1 83 ILE MG . . 3.660 3.746 3.703 3.764 0.104 10 0 "[ . 1 . 2]" 1
1446 1 83 ILE H 1 84 LYS H . . 3.510 2.806 2.682 2.945 . 0 0 "[ . 1 . 2]" 1
1447 1 83 ILE H 1 86 MET ME . . 4.800 4.249 3.950 4.623 . 0 0 "[ . 1 . 2]" 1
1448 1 83 ILE HA 1 83 ILE MD . . 3.440 2.126 2.054 2.275 . 0 0 "[ . 1 . 2]" 1
1449 1 83 ILE HA 1 83 ILE HG13 . . 3.750 3.764 3.709 3.797 0.047 20 0 "[ . 1 . 2]" 1
1450 1 83 ILE HA 1 83 ILE MG . . 3.200 2.502 2.355 2.643 . 0 0 "[ . 1 . 2]" 1
1451 1 83 ILE HA 1 86 MET H . . 4.410 3.609 3.501 3.741 . 0 0 "[ . 1 . 2]" 1
1452 1 83 ILE HA 1 86 MET QB . . 4.340 2.458 2.325 2.627 . 0 0 "[ . 1 . 2]" 1
1453 1 83 ILE HA 1 86 MET ME . . 3.390 2.180 1.960 2.464 . 0 0 "[ . 1 . 2]" 1
1454 1 83 ILE HA 1 87 GLU H . . 4.850 3.918 3.779 4.047 . 0 0 "[ . 1 . 2]" 1
1455 1 83 ILE HB 1 83 ILE MD . . 3.350 3.237 3.204 3.273 . 0 0 "[ . 1 . 2]" 1
1456 1 83 ILE HB 1 84 LYS H . . 3.240 2.663 2.525 2.879 . 0 0 "[ . 1 . 2]" 1
1457 1 83 ILE MD 1 83 ILE MG . . 2.400 2.022 1.958 2.118 . 0 0 "[ . 1 . 2]" 1
1458 1 83 ILE MD 1 84 LYS H . . 4.810 4.788 4.656 4.905 0.095 7 0 "[ . 1 . 2]" 1
1459 1 83 ILE MD 1 84 LYS HA . . 5.500 5.612 5.601 5.623 0.123 12 0 "[ . 1 . 2]" 1
1460 1 83 ILE MD 1 86 MET ME . . 3.520 1.933 1.849 2.003 . 0 0 "[ . 1 . 2]" 1
1461 1 83 ILE HG12 1 83 ILE MG . . 3.290 3.209 3.178 3.225 . 0 0 "[ . 1 . 2]" 1
1462 1 83 ILE HG13 1 83 ILE MG . . 3.300 2.315 2.209 2.582 . 0 0 "[ . 1 . 2]" 1
1463 1 83 ILE HG13 1 86 MET ME . . 4.260 4.268 4.074 4.350 0.090 8 0 "[ . 1 . 2]" 1
1464 1 83 ILE MG 1 84 LYS H . . 3.800 3.282 3.074 3.508 . 0 0 "[ . 1 . 2]" 1
1465 1 83 ILE MG 1 84 LYS HA . . 3.600 3.166 3.041 3.325 . 0 0 "[ . 1 . 2]" 1
1466 1 83 ILE MG 1 86 MET ME . . 3.930 2.832 2.366 3.208 . 0 0 "[ . 1 . 2]" 1
1467 1 83 ILE MG 1 87 GLU H . . 4.660 3.865 3.645 4.017 . 0 0 "[ . 1 . 2]" 1
1468 1 83 ILE MG 1 87 GLU HB2 . . 4.520 4.053 3.811 4.293 . 0 0 "[ . 1 . 2]" 1
1469 1 83 ILE MG 1 87 GLU QG . . 3.740 2.459 2.159 2.781 . 0 0 "[ . 1 . 2]" 1
1470 1 84 LYS H 1 84 LYS HB2 . . 3.290 2.422 2.191 2.793 . 0 0 "[ . 1 . 2]" 1
1471 1 84 LYS H 1 84 LYS HB3 . . 3.650 3.418 1.782 3.667 0.017 14 0 "[ . 1 . 2]" 1
1472 1 84 LYS H 1 84 LYS QD . . 4.260 4.163 3.639 4.338 0.078 3 0 "[ . 1 . 2]" 1
1473 1 84 LYS H 1 84 LYS HG2 . . 3.610 3.349 2.427 3.978 0.368 17 0 "[ . 1 . 2]" 1
1474 1 84 LYS H 1 84 LYS HG3 . . 4.020 2.817 2.393 4.119 0.099 7 0 "[ . 1 . 2]" 1
1475 1 84 LYS H 1 85 ILE H . . 3.340 2.729 2.539 2.926 . 0 0 "[ . 1 . 2]" 1
1476 1 84 LYS H 1 86 MET H . . 4.900 4.181 4.017 4.347 . 0 0 "[ . 1 . 2]" 1
1477 1 84 LYS HA 1 84 LYS QD . . 3.870 3.753 2.691 3.968 0.098 15 0 "[ . 1 . 2]" 1
1478 1 84 LYS HA 1 84 LYS QE . . 5.500 4.232 3.167 5.508 0.008 7 0 "[ . 1 . 2]" 1
1479 1 84 LYS HA 1 84 LYS HG2 . . 3.690 2.380 2.071 3.693 0.003 7 0 "[ . 1 . 2]" 1
1480 1 84 LYS HA 1 84 LYS HG3 . . 3.750 3.100 2.629 3.709 . 0 0 "[ . 1 . 2]" 1
1481 1 84 LYS HA 1 87 GLU H . . 4.200 3.234 2.954 3.540 . 0 0 "[ . 1 . 2]" 1
1482 1 84 LYS HA 1 87 GLU HB2 . . 3.840 2.435 2.109 2.756 . 0 0 "[ . 1 . 2]" 1
1483 1 84 LYS HA 1 87 GLU HB3 . . 4.420 4.019 3.747 4.337 . 0 0 "[ . 1 . 2]" 1
1484 1 84 LYS HA 1 87 GLU QG . . 4.370 3.009 2.341 3.525 . 0 0 "[ . 1 . 2]" 1
1485 1 84 LYS HB2 1 84 LYS QD . . 3.690 2.669 2.264 3.163 . 0 0 "[ . 1 . 2]" 1
1486 1 84 LYS HB2 1 85 ILE H . . 3.590 2.786 2.333 3.947 0.357 1 0 "[ . 1 . 2]" 1
1487 1 84 LYS HB3 1 84 LYS QD . . 3.460 2.268 2.140 2.534 . 0 0 "[ . 1 . 2]" 1
1488 1 84 LYS HB3 1 85 ILE H . . 3.860 3.307 2.665 3.663 . 0 0 "[ . 1 . 2]" 1
1489 1 84 LYS QD 1 84 LYS HG3 . . 2.600 2.327 2.109 2.455 . 0 0 "[ . 1 . 2]" 1
1490 1 84 LYS HG2 1 85 ILE H . . 4.490 4.586 2.816 4.838 0.348 19 0 "[ . 1 . 2]" 1
1491 1 84 LYS HG3 1 85 ILE H . . 4.750 4.449 3.839 4.585 . 0 0 "[ . 1 . 2]" 1
1492 1 85 ILE H 1 85 ILE HB . . 3.130 2.449 2.280 2.655 . 0 0 "[ . 1 . 2]" 1
1493 1 85 ILE H 1 85 ILE MD . . 3.730 3.749 3.601 3.823 0.093 10 0 "[ . 1 . 2]" 1
1494 1 85 ILE H 1 85 ILE HG12 . . 3.810 3.344 2.112 3.705 . 0 0 "[ . 1 . 2]" 1
1495 1 85 ILE H 1 85 ILE HG13 . . 3.630 2.529 2.281 3.352 . 0 0 "[ . 1 . 2]" 1
1496 1 85 ILE H 1 85 ILE MG . . 3.770 3.812 3.715 3.854 0.084 17 0 "[ . 1 . 2]" 1
1497 1 85 ILE H 1 86 MET H . . 3.340 2.779 2.702 2.916 . 0 0 "[ . 1 . 2]" 1
1498 1 85 ILE H 1 86 MET HA . . 5.470 5.396 5.328 5.501 0.031 17 0 "[ . 1 . 2]" 1
1499 1 85 ILE H 1 87 GLU H . . 4.790 4.242 4.112 4.367 . 0 0 "[ . 1 . 2]" 1
1500 1 85 ILE HA 1 85 ILE MD . . 3.580 3.511 2.328 3.693 0.113 18 0 "[ . 1 . 2]" 1
1501 1 85 ILE HA 1 85 ILE HG12 . . 4.200 2.371 2.236 2.900 . 0 0 "[ . 1 . 2]" 1
1502 1 85 ILE HA 1 85 ILE HG13 . . 3.920 3.042 2.800 3.887 . 0 0 "[ . 1 . 2]" 1
1503 1 85 ILE HA 1 85 ILE MG . . 3.250 2.529 2.423 2.647 . 0 0 "[ . 1 . 2]" 1
1504 1 85 ILE HA 1 87 GLU H . . 4.640 4.625 4.420 4.704 0.064 18 0 "[ . 1 . 2]" 1
1505 1 85 ILE HA 1 88 ARG H . . 4.130 3.681 3.529 3.879 . 0 0 "[ . 1 . 2]" 1
1506 1 85 ILE HA 1 88 ARG HB2 . . 4.200 3.059 2.636 3.666 . 0 0 "[ . 1 . 2]" 1
1507 1 85 ILE HA 1 88 ARG HB3 . . 4.200 3.854 3.333 4.266 0.066 17 0 "[ . 1 . 2]" 1
1508 1 85 ILE HA 1 88 ARG HG2 . . 5.500 5.391 4.659 6.409 0.909 17 1 "[ . 1 . + 2]" 1
1509 1 85 ILE HA 1 89 VAL H . . 4.530 4.182 4.083 4.331 . 0 0 "[ . 1 . 2]" 1
1510 1 85 ILE HB 1 85 ILE MD . . 3.300 2.553 2.382 3.238 . 0 0 "[ . 1 . 2]" 1
1511 1 85 ILE HB 1 86 MET H . . 3.290 2.721 2.389 2.933 . 0 0 "[ . 1 . 2]" 1
1512 1 85 ILE MD 1 85 ILE MG . . 2.400 1.999 1.952 2.041 . 0 0 "[ . 1 . 2]" 1
1513 1 85 ILE MD 1 89 VAL QG . . 5.500 4.872 4.481 5.267 . 0 0 "[ . 1 . 2]" 1
1514 1 85 ILE MG 1 86 MET H . . 3.790 3.304 3.164 3.459 . 0 0 "[ . 1 . 2]" 1
1515 1 85 ILE MG 1 86 MET HA . . 4.620 3.483 3.272 3.646 . 0 0 "[ . 1 . 2]" 1
1516 1 85 ILE MG 1 86 MET QB . . 5.130 4.167 3.951 4.333 . 0 0 "[ . 1 . 2]" 1
1517 1 85 ILE MG 1 89 VAL H . . 4.710 4.177 4.022 4.363 . 0 0 "[ . 1 . 2]" 1
1518 1 85 ILE MG 1 89 VAL QG . . 3.480 2.757 2.541 3.048 . 0 0 "[ . 1 . 2]" 1
1519 1 86 MET H 1 86 MET QB . . 3.380 2.167 2.105 2.218 . 0 0 "[ . 1 . 2]" 1
1520 1 86 MET H 1 86 MET ME . . 4.420 3.975 3.782 4.163 . 0 0 "[ . 1 . 2]" 1
1521 1 86 MET H 1 86 MET HG2 . . 4.360 4.140 3.976 4.273 . 0 0 "[ . 1 . 2]" 1
1522 1 86 MET H 1 86 MET HG3 . . 4.890 4.496 4.465 4.543 . 0 0 "[ . 1 . 2]" 1
1523 1 86 MET H 1 87 GLU H . . 3.540 2.859 2.764 2.964 . 0 0 "[ . 1 . 2]" 1
1524 1 86 MET H 1 88 ARG H . . 4.740 4.523 4.380 4.701 . 0 0 "[ . 1 . 2]" 1
1525 1 86 MET HA 1 86 MET HG2 . . 3.590 3.537 3.431 3.620 0.030 5 0 "[ . 1 . 2]" 1
1526 1 86 MET HA 1 88 ARG H . . 4.840 4.730 4.641 4.902 0.062 2 0 "[ . 1 . 2]" 1
1527 1 86 MET HA 1 89 VAL H . . 4.020 3.496 3.277 3.729 . 0 0 "[ . 1 . 2]" 1
1528 1 86 MET HA 1 89 VAL HB . . 3.310 2.435 2.227 2.771 . 0 0 "[ . 1 . 2]" 1
1529 1 86 MET HA 1 89 VAL QG . . 3.570 3.125 2.968 3.374 . 0 0 "[ . 1 . 2]" 1
1530 1 86 MET HA 1 90 VAL H . . 4.390 3.838 3.730 4.021 . 0 0 "[ . 1 . 2]" 1
1531 1 86 MET HA 1 90 VAL QG . . 3.610 3.546 3.403 3.653 0.043 13 0 "[ . 1 . 2]" 1
1532 1 86 MET QB 1 86 MET ME . . 3.420 2.118 2.023 2.236 . 0 0 "[ . 1 . 2]" 1
1533 1 86 MET QB 1 87 GLU H . . 3.520 2.753 2.480 2.861 . 0 0 "[ . 1 . 2]" 1
1534 1 86 MET QB 1 90 VAL QG . . 3.600 3.872 3.791 4.018 0.418 7 0 "[ . 1 . 2]" 1
1535 1 86 MET ME 1 86 MET HG2 . . 3.370 2.490 2.364 2.688 . 0 0 "[ . 1 . 2]" 1
1536 1 86 MET ME 1 87 GLU H . . 4.840 3.981 3.715 4.140 . 0 0 "[ . 1 . 2]" 1
1537 1 86 MET ME 1 87 GLU HB2 . . 5.500 5.550 5.197 5.602 0.102 17 0 "[ . 1 . 2]" 1
1538 1 86 MET HG2 1 87 GLU QG . . 3.150 3.146 3.107 3.183 0.033 2 0 "[ . 1 . 2]" 1
1539 1 86 MET HG3 1 90 VAL QG . . 3.400 2.248 2.106 2.419 . 0 0 "[ . 1 . 2]" 1
1540 1 87 GLU H 1 87 GLU HB2 . . 3.340 2.308 2.231 2.409 . 0 0 "[ . 1 . 2]" 1
1541 1 87 GLU H 1 87 GLU HB3 . . 3.610 3.529 3.487 3.568 . 0 0 "[ . 1 . 2]" 1
1542 1 87 GLU H 1 87 GLU QG . . 3.450 2.390 2.238 2.500 . 0 0 "[ . 1 . 2]" 1
1543 1 87 GLU H 1 88 ARG H . . 3.440 2.961 2.822 3.121 . 0 0 "[ . 1 . 2]" 1
1544 1 87 GLU H 1 90 VAL QG . . 4.480 4.365 3.836 4.649 0.169 15 0 "[ . 1 . 2]" 1
1545 1 87 GLU HA 1 87 GLU QG . . 3.470 2.339 2.178 2.482 . 0 0 "[ . 1 . 2]" 1
1546 1 87 GLU HA 1 90 VAL H . . 4.840 3.630 3.380 3.793 . 0 0 "[ . 1 . 2]" 1
1547 1 87 GLU HA 1 90 VAL QG . . 5.500 3.037 2.112 3.426 . 0 0 "[ . 1 . 2]" 1
1548 1 87 GLU HB2 1 87 GLU QG . . 2.700 2.264 2.061 2.474 . 0 0 "[ . 1 . 2]" 1
1549 1 87 GLU HB2 1 88 ARG H . . 3.800 2.517 2.293 2.700 . 0 0 "[ . 1 . 2]" 1
1550 1 87 GLU HB3 1 88 ARG H . . 3.260 3.254 3.040 3.337 0.077 12 0 "[ . 1 . 2]" 1
1551 1 87 GLU QG 1 88 ARG H . . 4.700 4.175 4.091 4.296 . 0 0 "[ . 1 . 2]" 1
1552 1 88 ARG H 1 88 ARG HB2 . . 3.370 2.088 2.005 2.208 . 0 0 "[ . 1 . 2]" 1
1553 1 88 ARG H 1 88 ARG HB3 . . 3.460 3.227 2.867 3.505 0.045 20 0 "[ . 1 . 2]" 1
1554 1 88 ARG H 1 88 ARG HD2 . . 5.500 5.060 4.891 5.293 . 0 0 "[ . 1 . 2]" 1
1555 1 88 ARG H 1 88 ARG HG2 . . 4.570 3.848 3.100 4.639 0.069 4 0 "[ . 1 . 2]" 1
1556 1 88 ARG H 1 88 ARG HG3 . . 3.980 3.873 3.521 4.065 0.085 12 0 "[ . 1 . 2]" 1
1557 1 88 ARG H 1 89 VAL H . . 3.260 2.801 2.675 2.985 . 0 0 "[ . 1 . 2]" 1
1558 1 88 ARG H 1 89 VAL QG . . 4.800 4.485 4.314 4.626 . 0 0 "[ . 1 . 2]" 1
1559 1 88 ARG H 1 90 VAL H . . 4.560 4.472 4.335 4.611 0.051 4 0 "[ . 1 . 2]" 1
1560 1 88 ARG HA 1 88 ARG HD2 . . 3.770 3.599 3.076 3.849 0.079 5 0 "[ . 1 . 2]" 1
1561 1 88 ARG HA 1 88 ARG HD3 . . 3.930 3.355 2.377 3.999 0.069 17 0 "[ . 1 . 2]" 1
1562 1 88 ARG HA 1 88 ARG HE . . 5.180 5.068 4.825 5.231 0.051 4 0 "[ . 1 . 2]" 1
1563 1 88 ARG HA 1 88 ARG HG2 . . 3.860 2.591 2.030 3.290 . 0 0 "[ . 1 . 2]" 1
1564 1 88 ARG HA 1 88 ARG HG3 . . 3.800 2.983 2.006 3.654 . 0 0 "[ . 1 . 2]" 1
1565 1 88 ARG HA 1 91 GLU H . . 4.220 3.509 3.339 3.827 . 0 0 "[ . 1 . 2]" 1
1566 1 88 ARG HA 1 91 GLU QB . . 3.570 2.408 2.208 2.906 . 0 0 "[ . 1 . 2]" 1
1567 1 88 ARG HA 1 92 GLN H . . 5.030 4.550 4.088 4.862 . 0 0 "[ . 1 . 2]" 1
1568 1 88 ARG HB2 1 88 ARG HD2 . . 4.080 3.412 3.235 3.537 . 0 0 "[ . 1 . 2]" 1
1569 1 88 ARG HB2 1 88 ARG HD3 . . 4.020 3.369 2.104 4.206 0.186 16 0 "[ . 1 . 2]" 1
1570 1 88 ARG HB2 1 88 ARG HE . . 4.650 4.133 3.230 4.726 0.076 20 0 "[ . 1 . 2]" 1
1571 1 88 ARG HB2 1 89 VAL H . . 3.430 3.157 2.862 3.509 0.079 6 0 "[ . 1 . 2]" 1
1572 1 88 ARG HB3 1 88 ARG HD2 . . 4.160 2.852 2.111 4.097 . 0 0 "[ . 1 . 2]" 1
1573 1 88 ARG HB3 1 88 ARG HD3 . . 3.790 3.244 2.986 3.523 . 0 0 "[ . 1 . 2]" 1
1574 1 88 ARG HB3 1 88 ARG HE . . 4.230 3.794 3.374 4.129 . 0 0 "[ . 1 . 2]" 1
1575 1 88 ARG HB3 1 88 ARG HG2 . . 2.690 2.743 2.274 3.045 0.355 13 0 "[ . 1 . 2]" 1
1576 1 88 ARG HB3 1 88 ARG HG3 . . 2.970 2.782 2.566 2.970 0.000 5 0 "[ . 1 . 2]" 1
1577 1 88 ARG HB3 1 89 VAL H . . 3.840 2.854 2.618 3.124 . 0 0 "[ . 1 . 2]" 1
1578 1 88 ARG HB3 1 90 VAL H . . 5.390 5.432 5.281 5.575 0.185 18 0 "[ . 1 . 2]" 1
1579 1 88 ARG HD3 1 88 ARG HH12 . . 4.700 3.751 3.515 4.083 . 0 0 "[ . 1 . 2]" 1
1580 1 88 ARG HE 1 88 ARG HG2 . . 3.950 2.980 2.143 3.965 0.015 20 0 "[ . 1 . 2]" 1
1581 1 88 ARG HE 1 88 ARG HG3 . . 4.110 2.749 2.030 3.511 . 0 0 "[ . 1 . 2]" 1
1582 1 88 ARG HG2 1 89 VAL H . . 4.980 4.789 4.499 4.957 . 0 0 "[ . 1 . 2]" 1
1583 1 88 ARG HG3 1 89 VAL H . . 5.020 4.938 4.640 5.065 0.045 18 0 "[ . 1 . 2]" 1
1584 1 89 VAL H 1 89 VAL HB . . 3.250 2.269 2.134 2.378 . 0 0 "[ . 1 . 2]" 1
1585 1 89 VAL H 1 89 VAL QG . . 3.060 2.441 2.321 2.515 . 0 0 "[ . 1 . 2]" 1
1586 1 89 VAL H 1 90 VAL H . . 3.330 2.854 2.762 3.014 . 0 0 "[ . 1 . 2]" 1
1587 1 89 VAL HA 1 89 VAL QG . . 3.030 2.102 2.053 2.136 . 0 0 "[ . 1 . 2]" 1
1588 1 89 VAL HA 1 91 GLU QB . . 4.490 4.551 4.485 4.586 0.096 15 0 "[ . 1 . 2]" 1
1589 1 89 VAL HA 1 92 GLN H . . 4.240 3.581 3.455 3.696 . 0 0 "[ . 1 . 2]" 1
1590 1 89 VAL HA 1 92 GLN HB2 . . 4.540 3.472 3.166 3.612 . 0 0 "[ . 1 . 2]" 1
1591 1 89 VAL HA 1 92 GLN HB3 . . 5.210 5.154 4.874 5.284 0.074 14 0 "[ . 1 . 2]" 1
1592 1 89 VAL HA 1 93 MET H . . 4.600 4.419 4.128 4.587 . 0 0 "[ . 1 . 2]" 1
1593 1 89 VAL HB 1 90 VAL H . . 3.220 2.677 2.591 2.798 . 0 0 "[ . 1 . 2]" 1
1594 1 89 VAL HB 1 90 VAL QG . . 3.440 3.346 3.190 3.485 0.045 17 0 "[ . 1 . 2]" 1
1595 1 89 VAL QG 1 90 VAL H . . 3.680 2.836 2.668 2.996 . 0 0 "[ . 1 . 2]" 1
1596 1 89 VAL QG 1 90 VAL HA . . 3.310 3.213 3.063 3.359 0.049 12 0 "[ . 1 . 2]" 1
1597 1 89 VAL QG 1 90 VAL QG . . 2.430 2.688 2.543 2.878 0.448 12 0 "[ . 1 . 2]" 1
1598 1 89 VAL QG 1 92 GLN H . . 4.660 4.410 4.370 4.453 . 0 0 "[ . 1 . 2]" 1
1599 1 89 VAL QG 1 93 MET H . . 4.340 4.066 3.798 4.294 . 0 0 "[ . 1 . 2]" 1
1600 1 89 VAL QG 1 93 MET ME . . 3.010 2.445 1.931 3.110 0.100 10 0 "[ . 1 . 2]" 1
1601 1 89 VAL QG 1 93 MET HG2 . . 4.350 3.990 3.594 4.316 . 0 0 "[ . 1 . 2]" 1
1602 1 89 VAL QG 1 93 MET HG3 . . 4.110 3.141 2.376 3.903 . 0 0 "[ . 1 . 2]" 1
1603 1 90 VAL H 1 90 VAL HB . . 3.480 2.574 2.197 3.569 0.089 11 0 "[ . 1 . 2]" 1
1604 1 90 VAL H 1 90 VAL QG . . 3.100 2.168 1.947 2.307 . 0 0 "[ . 1 . 2]" 1
1605 1 90 VAL H 1 91 GLU H . . 3.480 2.707 2.587 2.804 . 0 0 "[ . 1 . 2]" 1
1606 1 90 VAL H 1 92 GLN H . . 4.770 4.518 4.411 4.623 . 0 0 "[ . 1 . 2]" 1
1607 1 90 VAL H 1 93 MET ME . . 4.830 4.419 4.095 4.863 0.033 15 0 "[ . 1 . 2]" 1
1608 1 90 VAL HA 1 90 VAL QG . . 3.000 2.203 2.155 2.323 . 0 0 "[ . 1 . 2]" 1
1609 1 90 VAL HA 1 93 MET H . . 3.780 3.153 2.859 3.333 . 0 0 "[ . 1 . 2]" 1
1610 1 90 VAL HA 1 93 MET QB . . 3.570 2.243 2.129 2.355 . 0 0 "[ . 1 . 2]" 1
1611 1 90 VAL HA 1 93 MET ME . . 3.050 2.869 2.519 3.145 0.095 15 0 "[ . 1 . 2]" 1
1612 1 90 VAL HA 1 93 MET HG2 . . 4.700 4.591 4.281 4.767 0.067 12 0 "[ . 1 . 2]" 1
1613 1 90 VAL HA 1 93 MET HG3 . . 5.220 3.632 2.770 4.233 . 0 0 "[ . 1 . 2]" 1
1614 1 90 VAL HA 1 94 CYS H . . 3.810 3.687 3.568 3.829 0.019 6 0 "[ . 1 . 2]" 1
1615 1 90 VAL HB 1 91 GLU H . . 4.060 3.215 2.746 4.115 0.055 18 0 "[ . 1 . 2]" 1
1616 1 90 VAL QG 1 91 GLU H . . 4.080 3.141 2.588 3.372 . 0 0 "[ . 1 . 2]" 1
1617 1 90 VAL QG 1 93 MET ME . . 3.630 2.552 2.195 3.000 . 0 0 "[ . 1 . 2]" 1
1618 1 90 VAL QG 1 94 CYS H . . 4.560 3.884 3.638 4.360 . 0 0 "[ . 1 . 2]" 1
1619 1 90 VAL QG 1 94 CYS HB2 . . 4.640 3.969 3.549 4.605 . 0 0 "[ . 1 . 2]" 1
1620 1 91 GLU H 1 91 GLU QB . . 3.160 2.070 1.950 2.161 . 0 0 "[ . 1 . 2]" 1
1621 1 91 GLU H 1 91 GLU QG . . 4.210 3.751 3.587 3.877 . 0 0 "[ . 1 . 2]" 1
1622 1 91 GLU H 1 92 GLN H . . 3.680 2.966 2.810 3.046 . 0 0 "[ . 1 . 2]" 1
1623 1 91 GLU HA 1 91 GLU QG . . 3.380 2.335 2.138 2.500 . 0 0 "[ . 1 . 2]" 1
1624 1 91 GLU HA 1 94 CYS H . . 3.800 3.702 3.527 3.872 0.072 3 0 "[ . 1 . 2]" 1
1625 1 91 GLU QB 1 91 GLU QG . . 2.400 2.094 2.079 2.115 . 0 0 "[ . 1 . 2]" 1
1626 1 91 GLU QB 1 92 GLN H . . 3.290 2.333 2.177 2.492 . 0 0 "[ . 1 . 2]" 1
1627 1 91 GLU QG 1 92 GLN H . . 4.730 3.999 3.713 4.221 . 0 0 "[ . 1 . 2]" 1
1628 1 91 GLU QG 1 95 ILE MD . . 3.770 2.729 2.273 3.230 . 0 0 "[ . 1 . 2]" 1
1629 1 92 GLN H 1 92 GLN HB2 . . 3.240 2.448 2.332 2.684 . 0 0 "[ . 1 . 2]" 1
1630 1 92 GLN H 1 92 GLN HB3 . . 3.730 3.595 3.552 3.640 . 0 0 "[ . 1 . 2]" 1
1631 1 92 GLN H 1 92 GLN HG2 . . 3.850 2.326 2.140 2.444 . 0 0 "[ . 1 . 2]" 1
1632 1 92 GLN H 1 92 GLN HG3 . . 3.640 3.701 3.655 3.718 0.078 5 0 "[ . 1 . 2]" 1
1633 1 92 GLN H 1 93 MET H . . 3.390 2.647 2.574 2.726 . 0 0 "[ . 1 . 2]" 1
1634 1 92 GLN H 1 95 ILE MD . . 4.720 3.948 3.799 4.084 . 0 0 "[ . 1 . 2]" 1
1635 1 92 GLN HA 1 92 GLN HE21 . . 4.930 3.541 3.012 4.100 . 0 0 "[ . 1 . 2]" 1
1636 1 92 GLN HA 1 92 GLN HE22 . . 4.930 3.693 3.312 4.112 . 0 0 "[ . 1 . 2]" 1
1637 1 92 GLN HA 1 92 GLN HG2 . . 4.130 3.170 2.953 3.424 . 0 0 "[ . 1 . 2]" 1
1638 1 92 GLN HA 1 92 GLN HG3 . . 4.050 3.741 3.684 3.801 . 0 0 "[ . 1 . 2]" 1
1639 1 92 GLN HA 1 94 CYS H . . 5.080 4.415 4.226 4.634 . 0 0 "[ . 1 . 2]" 1
1640 1 92 GLN HA 1 95 ILE H . . 4.140 3.390 3.162 3.569 . 0 0 "[ . 1 . 2]" 1
1641 1 92 GLN HA 1 95 ILE HB . . 3.410 2.611 2.475 2.801 . 0 0 "[ . 1 . 2]" 1
1642 1 92 GLN HA 1 95 ILE MD . . 3.230 2.103 2.016 2.181 . 0 0 "[ . 1 . 2]" 1
1643 1 92 GLN HA 1 95 ILE HG12 . . 5.190 4.732 4.527 4.860 . 0 0 "[ . 1 . 2]" 1
1644 1 92 GLN HA 1 95 ILE HG13 . . 4.620 3.746 3.350 3.967 . 0 0 "[ . 1 . 2]" 1
1645 1 92 GLN HB2 1 92 GLN HE21 . . 4.460 4.136 3.810 4.513 0.053 10 0 "[ . 1 . 2]" 1
1646 1 92 GLN HB2 1 92 GLN HE22 . . 5.220 5.147 4.968 5.291 0.071 15 0 "[ . 1 . 2]" 1
1647 1 92 GLN HB2 1 92 GLN HG2 . . 2.810 2.440 2.358 2.520 . 0 0 "[ . 1 . 2]" 1
1648 1 92 GLN HB2 1 93 MET H . . 3.980 2.718 2.602 2.829 . 0 0 "[ . 1 . 2]" 1
1649 1 92 GLN HB3 1 92 GLN HE22 . . 5.340 4.111 3.619 4.778 . 0 0 "[ . 1 . 2]" 1
1650 1 92 GLN HB3 1 92 GLN HG2 . . 2.820 3.042 3.028 3.056 0.236 20 0 "[ . 1 . 2]" 1
1651 1 92 GLN HB3 1 93 MET H . . 4.280 3.711 3.479 3.955 . 0 0 "[ . 1 . 2]" 1
1652 1 92 GLN HE21 1 92 GLN HG2 . . 3.620 3.180 2.241 3.666 0.046 19 0 "[ . 1 . 2]" 1
1653 1 92 GLN HE21 1 92 GLN HG3 . . 3.570 2.828 2.344 3.519 . 0 0 "[ . 1 . 2]" 1
1654 1 92 GLN HE21 1 95 ILE MD . . 4.470 3.763 2.760 4.566 0.096 18 0 "[ . 1 . 2]" 1
1655 1 92 GLN HE22 1 92 GLN HG3 . . 4.120 3.767 3.554 4.060 . 0 0 "[ . 1 . 2]" 1
1656 1 92 GLN HE22 1 95 ILE HB . . 5.140 4.861 4.318 5.217 0.077 6 0 "[ . 1 . 2]" 1
1657 1 92 GLN HE22 1 95 ILE MD . . 3.680 3.123 2.229 3.740 0.060 18 0 "[ . 1 . 2]" 1
1658 1 92 GLN HG2 1 93 MET H . . 4.380 4.408 4.214 4.457 0.077 9 0 "[ . 1 . 2]" 1
1659 1 93 MET H 1 93 MET QB . . 3.320 2.372 2.225 2.528 . 0 0 "[ . 1 . 2]" 1
1660 1 93 MET H 1 93 MET ME . . 4.250 4.295 4.150 4.355 0.105 17 0 "[ . 1 . 2]" 1
1661 1 93 MET H 1 93 MET HG2 . . 3.820 3.502 3.111 3.891 0.071 18 0 "[ . 1 . 2]" 1
1662 1 93 MET H 1 93 MET HG3 . . 3.440 2.463 2.090 2.654 . 0 0 "[ . 1 . 2]" 1
1663 1 93 MET H 1 94 CYS H . . 3.460 2.694 2.558 2.827 . 0 0 "[ . 1 . 2]" 1
1664 1 93 MET HA 1 93 MET ME . . 4.760 4.578 4.219 4.809 0.049 13 0 "[ . 1 . 2]" 1
1665 1 93 MET HA 1 93 MET HG2 . . 3.560 2.616 2.223 3.025 . 0 0 "[ . 1 . 2]" 1
1666 1 93 MET HA 1 93 MET HG3 . . 3.840 2.912 2.421 3.392 . 0 0 "[ . 1 . 2]" 1
1667 1 93 MET HA 1 96 THR H . . 4.120 3.148 2.999 3.294 . 0 0 "[ . 1 . 2]" 1
1668 1 93 MET HA 1 96 THR HB . . 3.170 2.584 2.338 3.041 . 0 0 "[ . 1 . 2]" 1
1669 1 93 MET HA 1 96 THR MG . . 4.970 3.881 3.614 4.224 . 0 0 "[ . 1 . 2]" 1
1670 1 93 MET QB 1 93 MET ME . . 3.140 2.435 2.126 2.797 . 0 0 "[ . 1 . 2]" 1
1671 1 93 MET QB 1 94 CYS H . . 3.720 2.710 2.585 2.860 . 0 0 "[ . 1 . 2]" 1
1672 1 93 MET QB 1 96 THR H . . 4.520 4.617 4.597 4.632 0.112 4 0 "[ . 1 . 2]" 1
1673 1 93 MET ME 1 93 MET HG2 . . 3.900 2.972 2.511 3.477 . 0 0 "[ . 1 . 2]" 1
1674 1 93 MET ME 1 93 MET HG3 . . 3.770 3.046 2.443 3.522 . 0 0 "[ . 1 . 2]" 1
1675 1 93 MET ME 1 94 CYS H . . 5.500 5.038 4.792 5.247 . 0 0 "[ . 1 . 2]" 1
1676 1 94 CYS H 1 94 CYS HB2 . . 3.300 2.230 2.141 2.350 . 0 0 "[ . 1 . 2]" 1
1677 1 94 CYS H 1 94 CYS HB3 . . 3.950 3.475 3.422 3.554 . 0 0 "[ . 1 . 2]" 1
1678 1 94 CYS H 1 95 ILE H . . 3.520 2.679 2.559 2.740 . 0 0 "[ . 1 . 2]" 1
1679 1 94 CYS H 1 95 ILE MD . . 4.830 4.896 4.856 4.921 0.091 16 0 "[ . 1 . 2]" 1
1680 1 94 CYS H 1 96 THR H . . 4.630 4.000 3.780 4.159 . 0 0 "[ . 1 . 2]" 1
1681 1 94 CYS HA 1 96 THR H . . 5.500 4.242 4.069 4.421 . 0 0 "[ . 1 . 2]" 1
1682 1 94 CYS HA 1 97 GLN H . . 4.220 3.180 2.967 3.490 . 0 0 "[ . 1 . 2]" 1
1683 1 94 CYS HA 1 97 GLN HB2 . . 4.310 2.969 2.383 4.413 0.103 19 0 "[ . 1 . 2]" 1
1684 1 94 CYS HA 1 97 GLN HB3 . . 3.900 3.860 2.721 4.388 0.488 12 0 "[ . 1 . 2]" 1
1685 1 94 CYS HA 1 98 TYR H . . 5.010 3.901 3.660 4.102 . 0 0 "[ . 1 . 2]" 1
1686 1 94 CYS HB2 1 95 ILE H . . 3.800 2.687 2.556 2.873 . 0 0 "[ . 1 . 2]" 1
1687 1 94 CYS HB3 1 95 ILE H . . 4.770 3.439 3.206 3.641 . 0 0 "[ . 1 . 2]" 1
1688 1 95 ILE H 1 95 ILE HB . . 3.130 2.452 2.339 2.553 . 0 0 "[ . 1 . 2]" 1
1689 1 95 ILE H 1 95 ILE MD . . 3.470 3.245 3.180 3.346 . 0 0 "[ . 1 . 2]" 1
1690 1 95 ILE H 1 95 ILE HG12 . . 4.230 3.694 3.546 3.850 . 0 0 "[ . 1 . 2]" 1
1691 1 95 ILE H 1 95 ILE HG13 . . 3.680 2.266 2.118 2.463 . 0 0 "[ . 1 . 2]" 1
1692 1 95 ILE H 1 95 ILE MG . . 3.710 3.781 3.748 3.799 0.089 9 0 "[ . 1 . 2]" 1
1693 1 95 ILE H 1 96 THR H . . 3.440 2.810 2.659 2.931 . 0 0 "[ . 1 . 2]" 1
1694 1 95 ILE H 1 97 GLN H . . 4.860 4.355 4.164 4.570 . 0 0 "[ . 1 . 2]" 1
1695 1 95 ILE HA 1 95 ILE MD . . 3.890 3.889 3.834 3.939 0.049 10 0 "[ . 1 . 2]" 1
1696 1 95 ILE HA 1 95 ILE HG12 . . 3.150 2.709 2.622 2.791 . 0 0 "[ . 1 . 2]" 1
1697 1 95 ILE HA 1 95 ILE HG13 . . 4.030 2.740 2.613 2.870 . 0 0 "[ . 1 . 2]" 1
1698 1 95 ILE HA 1 95 ILE MG . . 3.100 2.473 2.367 2.576 . 0 0 "[ . 1 . 2]" 1
1699 1 95 ILE HA 1 98 TYR H . . 4.410 3.659 3.350 3.887 . 0 0 "[ . 1 . 2]" 1
1700 1 95 ILE HA 1 98 TYR HB2 . . 4.120 3.872 3.268 4.215 0.095 4 0 "[ . 1 . 2]" 1
1701 1 95 ILE HA 1 98 TYR HB3 . . 4.370 2.822 2.496 3.117 . 0 0 "[ . 1 . 2]" 1
1702 1 95 ILE HA 1 98 TYR QD . . 5.100 3.589 2.757 4.408 . 0 0 "[ . 1 . 2]" 1
1703 1 95 ILE HA 1 99 GLN H . . 5.500 4.272 4.034 4.466 . 0 0 "[ . 1 . 2]" 1
1704 1 95 ILE HB 1 95 ILE MD . . 3.110 2.321 2.247 2.389 . 0 0 "[ . 1 . 2]" 1
1705 1 95 ILE HB 1 96 THR H . . 3.330 2.870 2.781 3.014 . 0 0 "[ . 1 . 2]" 1
1706 1 95 ILE MD 1 95 ILE MG . . 2.400 2.179 2.122 2.260 . 0 0 "[ . 1 . 2]" 1
1707 1 95 ILE MD 1 96 THR H . . 4.560 4.635 4.558 4.663 0.103 12 0 "[ . 1 . 2]" 1
1708 1 95 ILE HG13 1 95 ILE MG . . 3.240 3.191 3.168 3.210 . 0 0 "[ . 1 . 2]" 1
1709 1 95 ILE HG13 1 96 THR H . . 4.580 4.569 4.449 4.641 0.061 4 0 "[ . 1 . 2]" 1
1710 1 95 ILE MG 1 96 THR H . . 3.840 3.518 3.401 3.744 . 0 0 "[ . 1 . 2]" 1
1711 1 95 ILE MG 1 96 THR HA . . 4.110 3.553 3.389 3.812 . 0 0 "[ . 1 . 2]" 1
1712 1 95 ILE MG 1 99 GLN H . . 5.500 4.320 4.150 4.561 . 0 0 "[ . 1 . 2]" 1
1713 1 95 ILE MG 1 99 GLN HE21 . . 3.780 2.644 1.905 3.703 . 0 0 "[ . 1 . 2]" 1
1714 1 95 ILE MG 1 99 GLN HE22 . . 3.950 3.236 2.361 4.043 0.093 14 0 "[ . 1 . 2]" 1
1715 1 95 ILE MG 1 99 GLN HG2 . . 4.250 4.214 3.534 4.352 0.102 7 0 "[ . 1 . 2]" 1
1716 1 95 ILE MG 1 99 GLN HG3 . . 3.790 3.064 2.731 3.289 . 0 0 "[ . 1 . 2]" 1
1717 1 96 THR H 1 96 THR HB . . 3.340 2.419 2.259 2.763 . 0 0 "[ . 1 . 2]" 1
1718 1 96 THR H 1 96 THR MG . . 3.620 3.712 3.691 3.728 0.108 8 0 "[ . 1 . 2]" 1
1719 1 96 THR H 1 97 GLN H . . 3.710 2.762 2.619 2.995 . 0 0 "[ . 1 . 2]" 1
1720 1 96 THR HA 1 96 THR MG . . 3.190 2.434 2.289 2.635 . 0 0 "[ . 1 . 2]" 1
1721 1 96 THR HA 1 99 GLN H . . 4.530 3.383 3.142 3.550 . 0 0 "[ . 1 . 2]" 1
1722 1 96 THR HA 1 99 GLN HB2 . . 3.870 2.634 2.454 2.753 . 0 0 "[ . 1 . 2]" 1
1723 1 96 THR HA 1 99 GLN HB3 . . 4.150 4.202 3.868 4.240 0.090 2 0 "[ . 1 . 2]" 1
1724 1 96 THR HA 1 99 GLN HG2 . . 5.450 4.982 4.005 5.280 . 0 0 "[ . 1 . 2]" 1
1725 1 96 THR HB 1 97 GLN H . . 3.700 2.663 2.403 2.917 . 0 0 "[ . 1 . 2]" 1
1726 1 96 THR MG 1 97 GLN H . . 4.130 3.444 3.085 3.687 . 0 0 "[ . 1 . 2]" 1
1727 1 96 THR MG 1 97 GLN HA . . 4.340 3.574 3.171 3.928 . 0 0 "[ . 1 . 2]" 1
1728 1 96 THR MG 1 99 GLN HB2 . . 4.290 3.750 3.199 3.973 . 0 0 "[ . 1 . 2]" 1
1729 1 96 THR MG 1 100 ARG HB2 . . 5.500 4.468 3.857 5.008 . 0 0 "[ . 1 . 2]" 1
1730 1 96 THR MG 1 100 ARG QD . . 3.900 2.110 1.934 2.486 . 0 0 "[ . 1 . 2]" 1
1731 1 96 THR MG 1 100 ARG HE . . 4.060 3.256 1.843 4.169 0.109 9 0 "[ . 1 . 2]" 1
1732 1 96 THR MG 1 100 ARG HG3 . . 3.800 3.595 2.895 4.504 0.704 18 1 "[ . 1 . + 2]" 1
1733 1 97 GLN H 1 97 GLN HB2 . . 3.710 2.500 2.017 3.595 . 0 0 "[ . 1 . 2]" 1
1734 1 97 GLN H 1 97 GLN HB3 . . 3.870 3.243 2.590 3.647 . 0 0 "[ . 1 . 2]" 1
1735 1 97 GLN H 1 98 TYR H . . 3.920 2.881 2.752 3.035 . 0 0 "[ . 1 . 2]" 1
1736 1 97 GLN H 1 98 TYR HA . . 5.500 5.456 5.366 5.544 0.044 8 0 "[ . 1 . 2]" 1
1737 1 97 GLN H 1 99 GLN H . . 5.080 4.149 3.977 4.344 . 0 0 "[ . 1 . 2]" 1
1738 1 97 GLN HA 1 97 GLN HE21 . . 4.920 4.163 2.497 5.001 0.081 20 0 "[ . 1 . 2]" 1
1739 1 97 GLN HA 1 100 ARG H . . 4.390 3.232 2.957 3.500 . 0 0 "[ . 1 . 2]" 1
1740 1 97 GLN HA 1 100 ARG HB2 . . 3.890 2.540 2.280 2.750 . 0 0 "[ . 1 . 2]" 1
1741 1 97 GLN HA 1 100 ARG HB3 . . 4.420 4.027 3.941 4.084 . 0 0 "[ . 1 . 2]" 1
1742 1 97 GLN HA 1 100 ARG QD . . 3.800 2.756 2.004 3.623 . 0 0 "[ . 1 . 2]" 1
1743 1 97 GLN HA 1 100 ARG HG3 . . 4.770 3.985 2.693 5.359 0.589 18 1 "[ . 1 . + 2]" 1
1744 1 97 GLN HA 1 101 GLU H . . 4.730 4.084 3.792 4.288 . 0 0 "[ . 1 . 2]" 1
1745 1 97 GLN HB2 1 98 TYR H . . 4.540 3.183 2.590 3.774 . 0 0 "[ . 1 . 2]" 1
1746 1 97 GLN HB3 1 98 TYR H . . 4.440 3.380 2.485 4.135 . 0 0 "[ . 1 . 2]" 1
1747 1 98 TYR H 1 98 TYR HB2 . . 3.810 2.627 2.405 2.804 . 0 0 "[ . 1 . 2]" 1
1748 1 98 TYR H 1 98 TYR HB3 . . 3.740 2.362 2.168 2.632 . 0 0 "[ . 1 . 2]" 1
1749 1 98 TYR H 1 98 TYR QD . . 4.880 4.192 4.094 4.301 . 0 0 "[ . 1 . 2]" 1
1750 1 98 TYR H 1 99 GLN H . . 3.740 2.867 2.699 2.978 . 0 0 "[ . 1 . 2]" 1
1751 1 98 TYR HA 1 98 TYR QD . . 3.980 2.448 2.226 2.611 . 0 0 "[ . 1 . 2]" 1
1752 1 98 TYR HA 1 101 GLU H . . 4.820 3.704 3.405 3.940 . 0 0 "[ . 1 . 2]" 1
1753 1 98 TYR HA 1 101 GLU HB2 . . 4.970 3.103 2.645 3.496 . 0 0 "[ . 1 . 2]" 1
1754 1 98 TYR HA 1 101 GLU HB3 . . 5.500 4.666 4.002 5.222 . 0 0 "[ . 1 . 2]" 1
1755 1 98 TYR HA 1 102 SER H . . 4.860 3.918 3.608 4.281 . 0 0 "[ . 1 . 2]" 1
1756 1 98 TYR HB2 1 99 GLN H . . 4.020 4.024 3.806 4.201 0.181 7 0 "[ . 1 . 2]" 1
1757 1 98 TYR HB3 1 99 GLN H . . 3.840 2.709 2.536 2.956 . 0 0 "[ . 1 . 2]" 1
1758 1 98 TYR QD 1 99 GLN H . . 4.730 3.718 3.329 4.145 . 0 0 "[ . 1 . 2]" 1
1759 1 98 TYR QD 1 99 GLN HA . . 4.730 4.009 3.526 4.510 . 0 0 "[ . 1 . 2]" 1
1760 1 98 TYR QD 1 99 GLN HE21 . . 4.900 4.493 3.645 4.993 0.093 4 0 "[ . 1 . 2]" 1
1761 1 98 TYR QD 1 99 GLN HG2 . . 4.880 3.909 2.856 4.683 . 0 0 "[ . 1 . 2]" 1
1762 1 98 TYR QD 1 99 GLN HG3 . . 4.820 3.238 2.561 4.164 . 0 0 "[ . 1 . 2]" 1
1763 1 98 TYR QE 1 102 SER HB3 . . 5.280 4.367 3.166 4.983 . 0 0 "[ . 1 . 2]" 1
1764 1 99 GLN H 1 99 GLN HB2 . . 3.520 2.338 2.135 2.673 . 0 0 "[ . 1 . 2]" 1
1765 1 99 GLN H 1 99 GLN HB3 . . 3.960 3.544 3.413 3.677 . 0 0 "[ . 1 . 2]" 1
1766 1 99 GLN H 1 99 GLN HG2 . . 4.040 3.649 3.105 4.085 0.045 17 0 "[ . 1 . 2]" 1
1767 1 99 GLN H 1 99 GLN HG3 . . 3.670 2.626 2.407 3.135 . 0 0 "[ . 1 . 2]" 1
1768 1 99 GLN H 1 100 ARG H . . 3.020 2.615 2.350 2.993 . 0 0 "[ . 1 . 2]" 1
1769 1 99 GLN H 1 100 ARG QD . . 4.600 4.471 4.268 4.566 . 0 0 "[ . 1 . 2]" 1
1770 1 99 GLN H 1 101 GLU H . . 4.930 4.456 4.154 4.689 . 0 0 "[ . 1 . 2]" 1
1771 1 99 GLN HA 1 99 GLN HG2 . . 3.650 2.365 2.224 2.607 . 0 0 "[ . 1 . 2]" 1
1772 1 99 GLN HA 1 99 GLN HG3 . . 4.030 2.961 2.712 3.513 . 0 0 "[ . 1 . 2]" 1
1773 1 99 GLN HA 1 100 ARG HA . . 4.840 4.814 4.702 4.902 0.062 9 0 "[ . 1 . 2]" 1
1774 1 99 GLN HA 1 102 SER H . . 4.620 3.475 3.138 3.817 . 0 0 "[ . 1 . 2]" 1
1775 1 99 GLN HA 1 102 SER HB2 . . 3.450 3.344 2.300 4.000 0.550 18 4 "[ *- 1 *. + 2]" 1
1776 1 99 GLN HA 1 102 SER HB3 . . 3.910 2.585 2.100 3.970 0.060 17 0 "[ . 1 . 2]" 1
1777 1 99 GLN HA 1 103 GLN H . . 5.050 3.848 3.272 4.189 . 0 0 "[ . 1 . 2]" 1
1778 1 99 GLN HB2 1 99 GLN HE21 . . 4.700 4.151 2.884 4.629 . 0 0 "[ . 1 . 2]" 1
1779 1 99 GLN HB2 1 100 ARG H . . 3.840 2.765 2.522 2.956 . 0 0 "[ . 1 . 2]" 1
1780 1 99 GLN HB2 1 100 ARG HA . . 4.400 4.492 4.197 4.983 0.583 17 1 "[ . 1 . + 2]" 1
1781 1 99 GLN HB3 1 100 ARG H . . 3.540 3.548 3.269 3.629 0.089 1 0 "[ . 1 . 2]" 1
1782 1 100 ARG H 1 100 ARG HB2 . . 3.350 2.363 2.127 2.641 . 0 0 "[ . 1 . 2]" 1
1783 1 100 ARG H 1 100 ARG HB3 . . 3.900 3.508 3.425 3.578 . 0 0 "[ . 1 . 2]" 1
1784 1 100 ARG H 1 100 ARG HG2 . . 3.940 3.553 2.092 4.356 0.416 16 0 "[ . 1 . 2]" 1
1785 1 100 ARG H 1 100 ARG HG3 . . 3.420 3.198 2.474 3.815 0.395 18 0 "[ . 1 . 2]" 1
1786 1 100 ARG H 1 101 GLU H . . 3.620 2.922 2.685 3.054 . 0 0 "[ . 1 . 2]" 1
1787 1 100 ARG HA 1 100 ARG QD . . 4.930 3.318 2.209 4.091 . 0 0 "[ . 1 . 2]" 1
1788 1 100 ARG HA 1 100 ARG HG2 . . 3.590 3.114 2.586 3.447 . 0 0 "[ . 1 . 2]" 1
1789 1 100 ARG HA 1 100 ARG HG3 . . 3.360 2.709 2.076 3.681 0.321 19 0 "[ . 1 . 2]" 1
1790 1 100 ARG HA 1 103 GLN H . . 4.260 3.734 3.266 4.312 0.052 14 0 "[ . 1 . 2]" 1
1791 1 100 ARG HA 1 103 GLN QB . . 3.610 3.085 2.342 3.682 0.072 14 0 "[ . 1 . 2]" 1
1792 1 100 ARG HB2 1 100 ARG QD . . 3.740 2.602 2.065 3.512 . 0 0 "[ . 1 . 2]" 1
1793 1 100 ARG HB2 1 101 GLU H . . 3.890 2.546 2.122 2.839 . 0 0 "[ . 1 . 2]" 1
1794 1 100 ARG HB3 1 100 ARG HG2 . . 2.840 2.451 2.196 2.929 0.089 19 0 "[ . 1 . 2]" 1
1795 1 100 ARG HB3 1 101 GLU H . . 3.890 3.255 3.014 3.594 . 0 0 "[ . 1 . 2]" 1
1796 1 100 ARG HE 1 100 ARG HG2 . . 3.550 3.263 2.415 3.811 0.261 18 0 "[ . 1 . 2]" 1
1797 1 100 ARG HE 1 100 ARG HG3 . . 3.810 2.971 2.188 3.800 . 0 0 "[ . 1 . 2]" 1
1798 1 101 GLU H 1 101 GLU HB2 . . 3.620 2.308 2.056 2.508 . 0 0 "[ . 1 . 2]" 1
1799 1 101 GLU H 1 101 GLU HB3 . . 3.910 3.510 3.351 3.604 . 0 0 "[ . 1 . 2]" 1
1800 1 101 GLU H 1 101 GLU HG2 . . 3.690 2.847 2.294 3.769 0.079 9 0 "[ . 1 . 2]" 1
1801 1 101 GLU H 1 101 GLU HG3 . . 3.990 3.734 3.087 4.062 0.072 3 0 "[ . 1 . 2]" 1
1802 1 101 GLU HA 1 101 GLU HG2 . . 4.170 2.959 2.010 3.573 . 0 0 "[ . 1 . 2]" 1
1803 1 101 GLU HA 1 101 GLU HG3 . . 3.750 3.524 2.489 3.837 0.087 5 0 "[ . 1 . 2]" 1
1804 1 101 GLU HA 1 104 ALA H . . 4.150 3.459 3.104 4.076 . 0 0 "[ . 1 . 2]" 1
1805 1 101 GLU HA 1 104 ALA MB . . 3.540 2.884 2.414 3.588 0.048 10 0 "[ . 1 . 2]" 1
1806 1 101 GLU HB2 1 102 SER H . . 4.230 2.722 2.331 3.262 . 0 0 "[ . 1 . 2]" 1
1807 1 101 GLU HB3 1 102 SER H . . 4.960 3.402 2.949 3.698 . 0 0 "[ . 1 . 2]" 1
1808 1 102 SER H 1 102 SER HB2 . . 4.010 2.454 2.054 3.589 . 0 0 "[ . 1 . 2]" 1
1809 1 102 SER H 1 102 SER HB3 . . 3.980 2.517 1.994 3.565 . 0 0 "[ . 1 . 2]" 1
1810 1 102 SER H 1 103 GLN H . . 3.510 2.863 2.609 3.045 . 0 0 "[ . 1 . 2]" 1
1811 1 102 SER H 1 106 TYR QD . . 5.210 5.302 5.259 5.317 0.107 16 0 "[ . 1 . 2]" 1
1812 1 102 SER HA 1 105 TYR H . . 4.320 3.358 2.935 3.572 . 0 0 "[ . 1 . 2]" 1
1813 1 102 SER HA 1 105 TYR HB2 . . 3.930 3.181 2.574 3.604 . 0 0 "[ . 1 . 2]" 1
1814 1 102 SER HA 1 105 TYR HB3 . . 4.290 2.616 2.308 2.945 . 0 0 "[ . 1 . 2]" 1
1815 1 102 SER HA 1 106 TYR QD . . 5.360 3.563 2.876 4.288 . 0 0 "[ . 1 . 2]" 1
1816 1 102 SER HB2 1 103 GLN H . . 4.130 3.899 3.198 4.195 0.065 7 0 "[ . 1 . 2]" 1
1817 1 102 SER HB3 1 103 GLN H . . 4.190 2.897 2.440 4.092 . 0 0 "[ . 1 . 2]" 1
1818 1 103 GLN H 1 103 GLN QB . . 2.970 2.253 1.889 2.707 . 0 0 "[ . 1 . 2]" 1
1819 1 103 GLN H 1 103 GLN HG2 . . 3.990 3.372 2.677 4.081 0.091 3 0 "[ . 1 . 2]" 1
1820 1 103 GLN H 1 103 GLN HG3 . . 4.230 3.424 2.371 4.313 0.083 11 0 "[ . 1 . 2]" 1
1821 1 103 GLN HA 1 103 GLN HG2 . . 3.800 2.772 2.108 3.880 0.080 3 0 "[ . 1 . 2]" 1
1822 1 103 GLN HA 1 103 GLN HG3 . . 3.790 3.267 2.561 3.837 0.047 17 0 "[ . 1 . 2]" 1
1823 1 103 GLN HA 1 104 ALA MB . . 5.020 5.042 4.966 5.090 0.070 6 0 "[ . 1 . 2]" 1
1824 1 103 GLN HA 1 105 TYR HB3 . . 5.500 5.529 5.410 5.582 0.082 13 0 "[ . 1 . 2]" 1
1825 1 103 GLN HA 1 106 TYR H . . 4.170 3.621 3.325 3.818 . 0 0 "[ . 1 . 2]" 1
1826 1 103 GLN HA 1 106 TYR HB2 . . 4.510 3.002 2.243 5.126 0.616 13 3 "[ . 1 + .-* 2]" 1
1827 1 103 GLN HA 1 106 TYR HB3 . . 5.040 4.046 3.518 5.072 0.032 6 0 "[ . 1 . 2]" 1
1828 1 103 GLN HA 1 107 GLN H . . 4.970 3.765 3.163 4.568 . 0 0 "[ . 1 . 2]" 1
1829 1 103 GLN QB 1 104 ALA H . . 3.430 2.683 2.414 3.255 . 0 0 "[ . 1 . 2]" 1
1830 1 103 GLN QB 1 104 ALA HA . . 4.750 4.078 3.730 4.809 0.059 16 0 "[ . 1 . 2]" 1
1831 1 103 GLN QB 1 104 ALA MB . . 4.270 3.880 3.572 4.379 0.109 16 0 "[ . 1 . 2]" 1
1832 1 103 GLN QB 1 105 TYR H . . 5.500 4.664 4.442 4.957 . 0 0 "[ . 1 . 2]" 1
1833 1 104 ALA H 1 104 ALA MB . . 2.930 2.220 2.156 2.328 . 0 0 "[ . 1 . 2]" 1
1834 1 104 ALA H 1 105 TYR H . . 3.250 2.600 2.027 2.839 . 0 0 "[ . 1 . 2]" 1
1835 1 104 ALA H 1 106 TYR H . . 4.180 4.150 3.697 4.264 0.084 18 0 "[ . 1 . 2]" 1
1836 1 104 ALA HA 1 105 TYR H . . 3.580 3.537 3.479 3.585 0.005 20 0 "[ . 1 . 2]" 1
1837 1 104 ALA HA 1 107 GLN H . . 4.280 3.877 3.612 4.316 0.036 11 0 "[ . 1 . 2]" 1
1838 1 104 ALA HA 1 107 GLN QB . . 3.800 3.496 2.728 3.956 0.156 17 0 "[ . 1 . 2]" 1
1839 1 104 ALA HA 1 107 GLN QG . . 3.680 2.666 1.933 3.762 0.082 12 0 "[ . 1 . 2]" 1
1840 1 104 ALA MB 1 105 TYR H . . 3.350 2.669 2.431 2.836 . 0 0 "[ . 1 . 2]" 1
1841 1 104 ALA MB 1 105 TYR HA . . 3.810 3.850 3.702 3.903 0.093 19 0 "[ . 1 . 2]" 1
1842 1 104 ALA MB 1 105 TYR QD . . 4.580 4.581 4.294 4.701 0.121 9 0 "[ . 1 . 2]" 1
1843 1 104 ALA MB 1 106 TYR H . . 4.680 4.561 4.339 4.714 0.034 3 0 "[ . 1 . 2]" 1
1844 1 105 TYR H 1 105 TYR HB2 . . 3.230 2.255 2.155 2.414 . 0 0 "[ . 1 . 2]" 1
1845 1 105 TYR H 1 105 TYR HB3 . . 3.200 2.614 2.392 2.809 . 0 0 "[ . 1 . 2]" 1
1846 1 105 TYR H 1 105 TYR QD . . 4.300 4.051 3.938 4.161 . 0 0 "[ . 1 . 2]" 1
1847 1 105 TYR H 1 106 TYR H . . 2.400 2.442 2.279 2.480 0.080 16 0 "[ . 1 . 2]" 1
1848 1 105 TYR HA 1 105 TYR QD . . 3.580 2.665 2.194 3.026 . 0 0 "[ . 1 . 2]" 1
1849 1 105 TYR HA 1 105 TYR QE . . 4.900 4.509 4.304 4.727 . 0 0 "[ . 1 . 2]" 1
1850 1 105 TYR HB2 1 106 TYR H . . 3.550 3.621 3.595 3.637 0.087 4 0 "[ . 1 . 2]" 1
1851 1 105 TYR HB3 1 106 TYR H . . 3.260 2.602 2.388 2.922 . 0 0 "[ . 1 . 2]" 1
1852 1 105 TYR QD 1 106 TYR H . . 4.360 4.113 3.503 4.420 0.060 14 0 "[ . 1 . 2]" 1
1853 1 105 TYR QD 1 106 TYR HA . . 4.530 4.209 3.517 4.593 0.063 16 0 "[ . 1 . 2]" 1
1854 1 106 TYR H 1 106 TYR HB2 . . 3.620 2.450 2.140 3.585 . 0 0 "[ . 1 . 2]" 1
1855 1 106 TYR H 1 106 TYR HB3 . . 3.510 3.345 2.382 3.593 0.083 6 0 "[ . 1 . 2]" 1
1856 1 106 TYR H 1 106 TYR QD . . 3.970 3.149 2.710 3.440 . 0 0 "[ . 1 . 2]" 1
1857 1 106 TYR H 1 107 GLN H . . 3.070 2.653 2.268 2.821 . 0 0 "[ . 1 . 2]" 1
1858 1 106 TYR H 1 107 GLN QG . . 5.500 4.184 3.716 5.126 . 0 0 "[ . 1 . 2]" 1
1859 1 106 TYR HA 1 106 TYR QD . . 3.540 2.803 2.129 3.597 0.057 13 0 "[ . 1 . 2]" 1
1860 1 106 TYR HA 1 107 GLN H . . 3.610 3.521 3.361 3.553 . 0 0 "[ . 1 . 2]" 1
1861 1 106 TYR HB2 1 107 GLN H . . 4.070 2.808 2.299 4.149 0.079 17 0 "[ . 1 . 2]" 1
1862 1 106 TYR HB3 1 107 GLN H . . 4.090 3.102 2.512 3.848 . 0 0 "[ . 1 . 2]" 1
1863 1 106 TYR QD 1 107 GLN H . . 4.430 4.240 3.225 4.528 0.098 15 0 "[ . 1 . 2]" 1
1864 1 106 TYR QD 1 107 GLN HA . . 5.270 5.087 3.445 5.374 0.104 6 0 "[ . 1 . 2]" 1
1865 1 106 TYR QD 1 107 GLN QG . . 5.500 5.454 4.827 5.628 0.128 19 0 "[ . 1 . 2]" 1
1866 1 107 GLN H 1 107 GLN QB . . 3.250 2.626 2.195 3.084 . 0 0 "[ . 1 . 2]" 1
1867 1 107 GLN H 1 107 GLN QG . . 3.640 2.431 1.932 2.965 . 0 0 "[ . 1 . 2]" 1
1868 1 107 GLN H 1 108 ARG H . . 3.730 3.438 2.750 3.816 0.086 15 0 "[ . 1 . 2]" 1
1869 1 107 GLN HA 1 107 GLN QG . . 3.430 2.714 2.150 3.469 0.039 3 0 "[ . 1 . 2]" 1
1870 1 107 GLN HA 1 108 ARG H . . 3.550 2.694 1.983 3.614 0.064 8 0 "[ . 1 . 2]" 1
1871 1 107 GLN QB 1 108 ARG H . . 4.100 3.477 2.009 3.868 . 0 0 "[ . 1 . 2]" 1
1872 1 107 GLN HE21 1 109 GLY H . . 4.710 4.336 2.517 4.790 0.080 1 0 "[ . 1 . 2]" 1
1873 1 107 GLN QG 1 108 ARG H . . 4.830 4.109 2.231 4.839 0.009 17 0 "[ . 1 . 2]" 1
1874 1 108 ARG H 1 108 ARG HB2 . . 3.490 2.638 2.105 3.682 0.192 15 0 "[ . 1 . 2]" 1
1875 1 108 ARG H 1 108 ARG HB3 . . 3.690 3.521 2.181 3.778 0.088 12 0 "[ . 1 . 2]" 1
1876 1 108 ARG H 1 108 ARG QD . . 5.310 4.372 3.803 5.256 . 0 0 "[ . 1 . 2]" 1
1877 1 108 ARG H 1 108 ARG QG . . 3.680 3.152 1.997 3.784 0.104 16 0 "[ . 1 . 2]" 1
1878 1 108 ARG H 1 109 GLY H . . 3.600 2.864 1.848 3.628 0.028 9 0 "[ . 1 . 2]" 1
1879 1 108 ARG HA 1 108 ARG QD . . 4.470 3.669 2.081 4.285 . 0 0 "[ . 1 . 2]" 1
1880 1 108 ARG HA 1 108 ARG QG . . 3.590 2.461 2.140 3.391 . 0 0 "[ . 1 . 2]" 1
1881 1 108 ARG HA 1 109 GLY H . . 3.440 2.976 2.240 3.518 0.078 19 0 "[ . 1 . 2]" 1
1882 1 108 ARG HB2 1 108 ARG QD . . 3.430 2.596 2.166 3.311 . 0 0 "[ . 1 . 2]" 1
1883 1 108 ARG HB2 1 108 ARG HE . . 4.850 4.153 2.352 4.880 0.030 12 0 "[ . 1 . 2]" 1
1884 1 108 ARG HB2 1 108 ARG QG . . 2.480 2.338 2.154 2.505 0.025 3 0 "[ . 1 . 2]" 1
1885 1 108 ARG HB2 1 109 GLY H . . 4.570 4.126 2.445 4.628 0.058 8 0 "[ . 1 . 2]" 1
1886 1 108 ARG HB3 1 108 ARG QD . . 3.250 2.568 2.173 3.300 0.050 16 0 "[ . 1 . 2]" 1
1887 1 108 ARG HB3 1 108 ARG HE . . 4.850 3.813 2.159 4.685 . 0 0 "[ . 1 . 2]" 1
1888 1 108 ARG HB3 1 108 ARG QG . . 2.510 2.383 2.113 2.512 0.002 14 0 "[ . 1 . 2]" 1
1889 1 108 ARG HB3 1 109 GLY H . . 4.650 4.152 2.607 4.615 . 0 0 "[ . 1 . 2]" 1
1890 1 108 ARG QG 1 109 GLY H . . 4.980 4.378 3.481 4.899 . 0 0 "[ . 1 . 2]" 1
1891 1 109 GLY H 1 110 ALA H . . 3.700 3.228 2.405 3.771 0.071 16 0 "[ . 1 . 2]" 1
1892 1 109 GLY QA 1 110 ALA H . . 3.610 2.388 2.047 2.912 . 0 0 "[ . 1 . 2]" 1
1893 1 110 ALA H 1 110 ALA MB . . 3.630 2.777 2.286 3.201 . 0 0 "[ . 1 . 2]" 1
1894 1 110 ALA MB 1 111 SER H . . 4.510 2.835 1.932 3.728 . 0 0 "[ . 1 . 2]" 1
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