NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401952 |
1wcj   |
5976 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wcj
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 1803
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 64.790
_Distance_constraint_stats_list.Viol_max 5.282
_Distance_constraint_stats_list.Viol_rms 0.2078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0359
_Distance_constraint_stats_list.Viol_average_violations_only 0.2612
_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 3 SER 0.000 0.000 . 0 "[ ]"
1 4 LYS 2.510 1.618 1 1 [+]
1 5 LYS 0.756 0.420 1 0 "[ ]"
1 6 VAL 1.479 0.954 1 1 [+]
1 7 THR 1.001 0.656 1 1 [+]
1 8 LYS 0.550 0.150 1 0 "[ ]"
1 9 GLU 1.406 0.656 1 1 [+]
1 10 ASP 0.821 0.214 1 0 "[ ]"
1 11 VAL 0.854 0.370 1 0 "[ ]"
1 12 LEU 0.724 0.399 1 0 "[ ]"
1 13 ASN 0.628 0.258 1 0 "[ ]"
1 14 ALA 1.056 0.730 1 1 [+]
1 15 LEU 0.751 0.268 1 0 "[ ]"
1 16 LYS 0.692 0.303 1 0 "[ ]"
1 17 ASN 0.811 0.730 1 1 [+]
1 18 VAL 0.681 0.326 1 0 "[ ]"
1 19 ILE 7.279 5.282 1 1 [+]
1 20 ASP 0.402 0.263 1 0 "[ ]"
1 21 PHE 0.309 0.309 1 0 "[ ]"
1 22 GLU 5.436 5.282 1 1 [+]
1 23 LEU 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.417 0.309 1 0 "[ ]"
1 25 LEU 1.074 0.440 1 0 "[ ]"
1 26 ASP 0.519 0.467 1 0 "[ ]"
1 27 VAL 2.616 1.098 1 1 [+]
1 28 VAL 1.348 0.489 1 0 "[ ]"
1 29 SER 1.741 0.946 1 1 [+]
1 30 LEU 0.243 0.123 1 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 LEU 1.978 1.148 1 1 [+]
1 33 VAL 1.640 1.296 1 1 [+]
1 34 TYR 5.309 2.259 1 1 [+]
1 35 ASP 2.053 1.296 1 1 [+]
1 36 ILE 0.919 0.399 1 0 "[ ]"
1 37 GLN 0.423 0.137 1 0 "[ ]"
1 38 ILE 1.590 0.954 1 1 [+]
1 39 ASP 0.275 0.210 1 0 "[ ]"
1 40 ASP 0.882 0.607 1 1 [+]
1 41 GLN 0.570 0.345 1 0 "[ ]"
1 42 ASN 0.432 0.227 1 0 "[ ]"
1 43 ASN 1.597 0.607 1 1 [+]
1 44 VAL 0.715 0.314 1 0 "[ ]"
1 45 LYS 1.522 0.429 1 0 "[ ]"
1 46 VAL 0.671 0.455 1 0 "[ ]"
1 47 LEU 0.836 0.338 1 0 "[ ]"
1 48 MET 2.455 1.665 1 1 [+]
1 49 THR 4.004 2.259 1 1 [+]
1 50 MET 0.348 0.098 1 0 "[ ]"
1 51 THR 1.632 1.498 1 1 [+]
1 52 THR 5.292 3.217 1 1 [+]
1 53 PRO 0.091 0.065 1 0 "[ ]"
1 54 MET 0.171 0.171 1 0 "[ ]"
1 55 CYS 0.086 0.086 1 0 "[ ]"
1 56 PRO 0.169 0.086 1 0 "[ ]"
1 57 LEU 0.083 0.083 1 0 "[ ]"
1 58 ALA 0.291 0.142 1 0 "[ ]"
1 59 GLY 0.476 0.476 1 0 "[ ]"
1 60 MET 0.000 0.000 . 0 "[ ]"
1 61 ILE 1.452 1.098 1 1 [+]
1 62 LEU 0.876 0.476 1 0 "[ ]"
1 63 SER 0.023 0.023 1 0 "[ ]"
1 64 ASP 0.282 0.174 1 0 "[ ]"
1 65 ALA 0.076 0.076 1 0 "[ ]"
1 66 GLU 0.907 0.563 1 1 [+]
1 67 GLU 0.795 0.682 1 1 [+]
1 68 ALA 0.435 0.174 1 0 "[ ]"
1 69 ILE 0.761 0.429 1 0 "[ ]"
1 70 LYS 3.475 2.101 1 1 [+]
1 71 LYS 0.293 0.110 1 0 "[ ]"
1 72 ILE 2.775 0.886 1 1 [+]
1 73 GLU 2.412 0.886 1 1 [+]
1 74 GLY 1.672 0.639 1 1 [+]
1 75 VAL 3.067 1.618 1 1 [+]
1 76 ASN 1.274 0.399 1 0 "[ ]"
1 77 ASN 1.493 0.448 1 0 "[ ]"
1 78 VAL 4.146 2.101 1 1 [+]
1 79 GLU 1.314 0.455 1 0 "[ ]"
1 80 VAL 0.183 0.108 1 0 "[ ]"
1 81 GLU 0.084 0.084 1 0 "[ ]"
1 82 LEU 0.849 0.522 1 1 [+]
1 83 THR 2.075 0.768 1 1 [+]
1 84 PHE 0.503 0.171 1 0 "[ ]"
1 85 ASP 0.274 0.117 1 0 "[ ]"
1 86 PRO 0.399 0.282 1 0 "[ ]"
1 87 PRO 6.924 3.217 1 1 [+]
1 88 TRP 2.102 0.637 1 1 [+]
1 89 THR 1.549 0.637 1 1 [+]
1 90 PRO 0.082 0.080 1 0 "[ ]"
1 91 GLU 0.465 0.200 1 0 "[ ]"
1 92 ARG 0.695 0.340 1 0 "[ ]"
1 93 MET 0.263 0.123 1 0 "[ ]"
1 94 SER 0.094 0.068 1 0 "[ ]"
1 95 PRO 0.068 0.068 1 0 "[ ]"
1 96 GLU 0.316 0.248 1 0 "[ ]"
1 97 LEU 1.921 0.946 1 1 [+]
1 98 ARG 1.450 1.132 1 1 [+]
1 99 GLU 0.360 0.318 1 0 "[ ]"
1 100 LYS 1.617 1.132 1 1 [+]
1 101 PHE 0.881 0.707 1 1 [+]
1 102 GLY 0.083 0.083 1 0 "[ ]"
1 103 VAL 0.790 0.707 1 1 [+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER HA 1 4 LYS H . . 3.430 2.510 2.510 2.510 . 0 0 "[ ]" 1
2 1 3 SER HA 1 4 LYS QB . . 4.490 4.086 4.086 4.086 . 0 0 "[ ]" 1
3 1 3 SER QB 1 4 LYS H . . 4.600 2.411 2.411 2.411 . 0 0 "[ ]" 1
4 1 4 LYS H 1 4 LYS QB . . 3.330 2.586 2.586 2.586 . 0 0 "[ ]" 1
5 1 4 LYS H 1 4 LYS QG . . 4.440 3.434 3.434 3.434 . 0 0 "[ ]" 1
6 1 4 LYS H 1 5 LYS H . . 5.500 3.150 3.150 3.150 . 0 0 "[ ]" 1
7 1 4 LYS H 1 74 GLY QA . . 5.430 5.893 5.893 5.893 0.463 1 0 "[ ]" 1
8 1 4 LYS HA 1 4 LYS QD . . 4.980 3.963 3.963 3.963 . 0 0 "[ ]" 1
9 1 4 LYS HA 1 4 LYS QG . . 3.670 2.221 2.221 2.221 . 0 0 "[ ]" 1
10 1 4 LYS HA 1 5 LYS H . . 2.720 2.437 2.437 2.437 . 0 0 "[ ]" 1
11 1 4 LYS QB 1 74 GLY QA . . 4.730 3.436 3.436 3.436 . 0 0 "[ ]" 1
12 1 4 LYS QD 1 75 VAL H . . 5.470 7.088 7.088 7.088 1.618 1 1 [+] 1
13 1 4 LYS QE 1 4 LYS QG . . 3.490 2.085 2.085 2.085 . 0 0 "[ ]" 1
14 1 4 LYS QG 1 5 LYS H . . 4.230 4.307 4.307 4.307 0.077 1 0 "[ ]" 1
15 1 4 LYS QG 1 74 GLY H . . 5.500 5.044 5.044 5.044 . 0 0 "[ ]" 1
16 1 4 LYS QG 1 75 VAL H . . 5.500 5.851 5.851 5.851 0.351 1 0 "[ ]" 1
17 1 5 LYS H 1 5 LYS HB2 . . 3.080 3.122 3.122 3.122 0.042 1 0 "[ ]" 1
18 1 5 LYS H 1 5 LYS HB3 . . 3.670 3.333 3.333 3.333 . 0 0 "[ ]" 1
19 1 5 LYS H 1 5 LYS HG2 . . 5.480 4.685 4.685 4.685 . 0 0 "[ ]" 1
20 1 5 LYS H 1 5 LYS QG . . 4.140 4.357 4.357 4.357 0.217 1 0 "[ ]" 1
21 1 5 LYS H 1 5 LYS HG3 . . 5.300 5.183 5.183 5.183 . 0 0 "[ ]" 1
22 1 5 LYS H 1 6 VAL H . . 4.390 3.548 3.548 3.548 . 0 0 "[ ]" 1
23 1 5 LYS H 1 6 VAL MG2 . . 5.500 3.512 3.512 3.512 . 0 0 "[ ]" 1
24 1 5 LYS H 1 42 ASN QD . . 5.390 3.826 3.826 3.826 . 0 0 "[ ]" 1
25 1 5 LYS H 1 74 GLY QA . . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
26 1 5 LYS HA 1 5 LYS QD . . 4.760 3.446 3.446 3.446 . 0 0 "[ ]" 1
27 1 5 LYS HA 1 6 VAL H . . 2.610 2.142 2.142 2.142 . 0 0 "[ ]" 1
28 1 5 LYS HA 1 6 VAL MG2 . . 4.210 3.759 3.759 3.759 . 0 0 "[ ]" 1
29 1 5 LYS HA 1 42 ASN QB . . 5.450 4.423 4.423 4.423 . 0 0 "[ ]" 1
30 1 5 LYS HA 1 42 ASN QD . . 3.530 2.413 2.413 2.413 . 0 0 "[ ]" 1
31 1 5 LYS HB3 1 5 LYS QE . . 5.020 3.596 3.596 3.596 . 0 0 "[ ]" 1
32 1 5 LYS HB3 1 6 VAL H . . 3.920 4.340 4.340 4.340 0.420 1 0 "[ ]" 1
33 1 5 LYS QE 1 5 LYS HG3 . . 3.730 3.251 3.251 3.251 . 0 0 "[ ]" 1
34 1 5 LYS QE 1 6 VAL H . . 5.450 2.690 2.690 2.690 . 0 0 "[ ]" 1
35 1 5 LYS QE 1 7 THR H . . 5.500 5.109 5.109 5.109 . 0 0 "[ ]" 1
36 1 5 LYS QG 1 6 VAL H . . 4.460 3.961 3.961 3.961 . 0 0 "[ ]" 1
37 1 5 LYS QG 1 42 ASN QD . . 5.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
38 1 5 LYS HG2 1 6 VAL H . . 5.250 4.081 4.081 4.081 . 0 0 "[ ]" 1
39 1 6 VAL H 1 6 VAL HB . . 2.880 2.275 2.275 2.275 . 0 0 "[ ]" 1
40 1 6 VAL H 1 6 VAL MG2 . . 3.510 2.361 2.361 2.361 . 0 0 "[ ]" 1
41 1 6 VAL H 1 7 THR H . . 5.080 4.653 4.653 4.653 . 0 0 "[ ]" 1
42 1 6 VAL H 1 7 THR MG . . 5.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
43 1 6 VAL H 1 38 ILE MD . . 5.500 6.454 6.454 6.454 0.954 1 1 [+] 1
44 1 6 VAL H 1 42 ASN QD . . 3.970 2.895 2.895 2.895 . 0 0 "[ ]" 1
45 1 6 VAL H 1 74 GLY QA . . 5.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
46 1 6 VAL HA 1 6 VAL MG1 . . 2.820 2.524 2.524 2.524 . 0 0 "[ ]" 1
47 1 6 VAL HA 1 7 THR H . . 2.730 2.378 2.378 2.378 . 0 0 "[ ]" 1
48 1 6 VAL HA 1 7 THR MG . . 4.310 3.111 3.111 3.111 . 0 0 "[ ]" 1
49 1 6 VAL HA 1 10 ASP H . . 5.060 5.165 5.165 5.165 0.105 1 0 "[ ]" 1
50 1 6 VAL HA 1 10 ASP HB2 . . 4.470 3.516 3.516 3.516 . 0 0 "[ ]" 1
51 1 6 VAL HB 1 7 THR H . . 4.520 4.028 4.028 4.028 . 0 0 "[ ]" 1
52 1 6 VAL HB 1 7 THR HA . . 5.500 5.149 5.149 5.149 . 0 0 "[ ]" 1
53 1 6 VAL HB 1 42 ASN HA . . 4.460 3.451 3.451 3.451 . 0 0 "[ ]" 1
54 1 6 VAL HB 1 42 ASN QB . . 5.160 2.547 2.547 2.547 . 0 0 "[ ]" 1
55 1 6 VAL HB 1 42 ASN QD . . 5.090 3.965 3.965 3.965 . 0 0 "[ ]" 1
56 1 6 VAL HB 1 74 GLY QA . . 5.080 4.110 4.110 4.110 . 0 0 "[ ]" 1
57 1 6 VAL HB 1 75 VAL H . . 4.710 4.307 4.307 4.307 . 0 0 "[ ]" 1
58 1 6 VAL MG1 1 7 THR H . . 3.610 2.276 2.276 2.276 . 0 0 "[ ]" 1
59 1 6 VAL MG1 1 10 ASP HB2 . . 3.490 2.476 2.476 2.476 . 0 0 "[ ]" 1
60 1 6 VAL MG1 1 10 ASP HB3 . . 3.360 3.066 3.066 3.066 . 0 0 "[ ]" 1
61 1 6 VAL MG2 1 10 ASP HB3 . . 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
62 1 6 VAL MG2 1 42 ASN QB . . 4.530 3.026 3.026 3.026 . 0 0 "[ ]" 1
63 1 6 VAL MG2 1 42 ASN QD . . 3.790 3.075 3.075 3.075 . 0 0 "[ ]" 1
64 1 6 VAL MG2 1 74 GLY QA . . 4.130 2.059 2.059 2.059 . 0 0 "[ ]" 1
65 1 6 VAL MG2 1 75 VAL H . . 4.260 2.307 2.307 2.307 . 0 0 "[ ]" 1
66 1 7 THR H 1 7 THR MG . . 3.540 2.884 2.884 2.884 . 0 0 "[ ]" 1
67 1 7 THR H 1 8 LYS H . . 4.610 4.388 4.388 4.388 . 0 0 "[ ]" 1
68 1 7 THR H 1 8 LYS HA . . 5.500 5.142 5.142 5.142 . 0 0 "[ ]" 1
69 1 7 THR H 1 10 ASP H . . 4.050 3.147 3.147 3.147 . 0 0 "[ ]" 1
70 1 7 THR H 1 10 ASP HA . . 5.500 5.008 5.008 5.008 . 0 0 "[ ]" 1
71 1 7 THR H 1 10 ASP HB2 . . 3.430 2.127 2.127 2.127 . 0 0 "[ ]" 1
72 1 7 THR H 1 10 ASP HB3 . . 3.950 3.765 3.765 3.765 . 0 0 "[ ]" 1
73 1 7 THR H 1 11 VAL H . . 4.730 3.760 3.760 3.760 . 0 0 "[ ]" 1
74 1 7 THR H 1 38 ILE MD . . 5.380 4.657 4.657 4.657 . 0 0 "[ ]" 1
75 1 7 THR HA 1 7 THR MG . . 3.300 2.472 2.472 2.472 . 0 0 "[ ]" 1
76 1 7 THR HA 1 8 LYS H . . 2.930 2.386 2.386 2.386 . 0 0 "[ ]" 1
77 1 7 THR HA 1 8 LYS HA . . 4.330 4.357 4.357 4.357 0.027 1 0 "[ ]" 1
78 1 7 THR HA 1 9 GLU H . . 4.170 4.225 4.225 4.225 0.055 1 0 "[ ]" 1
79 1 7 THR HA 1 11 VAL H . . 5.500 5.200 5.200 5.200 . 0 0 "[ ]" 1
80 1 7 THR HA 1 38 ILE MD . . 3.770 3.866 3.866 3.866 0.096 1 0 "[ ]" 1
81 1 7 THR HB 1 8 LYS H . . 4.090 2.393 2.393 2.393 . 0 0 "[ ]" 1
82 1 7 THR HB 1 9 GLU HB3 . . 4.990 4.519 4.519 4.519 . 0 0 "[ ]" 1
83 1 7 THR MG 1 8 LYS H . . 4.190 3.712 3.712 3.712 . 0 0 "[ ]" 1
84 1 7 THR MG 1 9 GLU H . . 4.470 4.106 4.106 4.106 . 0 0 "[ ]" 1
85 1 7 THR MG 1 9 GLU HA . . 5.480 6.136 6.136 6.136 0.656 1 1 [+] 1
86 1 7 THR MG 1 10 ASP H . . 4.900 4.207 4.207 4.207 . 0 0 "[ ]" 1
87 1 7 THR MG 1 10 ASP HB2 . . 5.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
88 1 7 THR MG 1 10 ASP HB3 . . 5.500 5.561 5.561 5.561 0.061 1 0 "[ ]" 1
89 1 7 THR MG 1 11 VAL H . . 5.500 5.605 5.605 5.605 0.105 1 0 "[ ]" 1
90 1 8 LYS H 1 8 LYS HB2 . . 3.490 3.483 3.483 3.483 . 0 0 "[ ]" 1
91 1 8 LYS H 1 8 LYS HB3 . . 3.410 2.758 2.758 2.758 . 0 0 "[ ]" 1
92 1 8 LYS H 1 8 LYS QD . . 5.090 3.822 3.822 3.822 . 0 0 "[ ]" 1
93 1 8 LYS H 1 8 LYS QE . . 5.500 3.791 3.791 3.791 . 0 0 "[ ]" 1
94 1 8 LYS H 1 8 LYS HG2 . . 3.950 1.835 1.835 1.835 . 0 0 "[ ]" 1
95 1 8 LYS H 1 8 LYS HG3 . . 5.240 2.368 2.368 2.368 . 0 0 "[ ]" 1
96 1 8 LYS H 1 9 GLU H . . 3.690 2.719 2.719 2.719 . 0 0 "[ ]" 1
97 1 8 LYS H 1 10 ASP H . . 5.210 4.328 4.328 4.328 . 0 0 "[ ]" 1
98 1 8 LYS H 1 10 ASP HB2 . . 5.500 5.533 5.533 5.533 0.033 1 0 "[ ]" 1
99 1 8 LYS H 1 11 VAL H . . 5.500 4.854 4.854 4.854 . 0 0 "[ ]" 1
100 1 8 LYS H 1 11 VAL QG . . 4.910 4.484 4.484 4.484 . 0 0 "[ ]" 1
101 1 8 LYS H 1 38 ILE H . . 5.500 5.188 5.188 5.188 . 0 0 "[ ]" 1
102 1 8 LYS H 1 38 ILE HB . . 5.130 3.898 3.898 3.898 . 0 0 "[ ]" 1
103 1 8 LYS H 1 38 ILE MD . . 4.100 3.650 3.650 3.650 . 0 0 "[ ]" 1
104 1 8 LYS H 1 38 ILE MG . . 5.500 4.382 4.382 4.382 . 0 0 "[ ]" 1
105 1 8 LYS HA 1 8 LYS QD . . 5.030 4.546 4.546 4.546 . 0 0 "[ ]" 1
106 1 8 LYS HA 1 8 LYS HG2 . . 3.820 3.725 3.725 3.725 . 0 0 "[ ]" 1
107 1 8 LYS HA 1 8 LYS HG3 . . 3.970 3.670 3.670 3.670 . 0 0 "[ ]" 1
108 1 8 LYS HA 1 10 ASP H . . 4.850 4.375 4.375 4.375 . 0 0 "[ ]" 1
109 1 8 LYS HA 1 11 VAL H . . 3.790 3.485 3.485 3.485 . 0 0 "[ ]" 1
110 1 8 LYS HA 1 11 VAL HB . . 3.370 2.441 2.441 2.441 . 0 0 "[ ]" 1
111 1 8 LYS HA 1 12 LEU H . . 4.480 4.026 4.026 4.026 . 0 0 "[ ]" 1
112 1 8 LYS HA 1 36 ILE HB . . 5.410 3.947 3.947 3.947 . 0 0 "[ ]" 1
113 1 8 LYS HA 1 36 ILE MD . . 4.800 3.552 3.552 3.552 . 0 0 "[ ]" 1
114 1 8 LYS HA 1 36 ILE MG . . 3.740 2.052 2.052 2.052 . 0 0 "[ ]" 1
115 1 8 LYS HA 1 38 ILE MD . . 3.350 2.364 2.364 2.364 . 0 0 "[ ]" 1
116 1 8 LYS HA 1 38 ILE HG12 . . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
117 1 8 LYS HA 1 38 ILE HG13 . . 5.500 3.129 3.129 3.129 . 0 0 "[ ]" 1
118 1 8 LYS HB2 1 9 GLU H . . 4.180 3.675 3.675 3.675 . 0 0 "[ ]" 1
119 1 8 LYS HB2 1 38 ILE MD . . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
120 1 8 LYS HB3 1 37 GLN HA . . 4.770 4.552 4.552 4.552 . 0 0 "[ ]" 1
121 1 8 LYS HB3 1 38 ILE H . . 5.500 5.082 5.082 5.082 . 0 0 "[ ]" 1
122 1 8 LYS HB3 1 38 ILE MD . . 5.020 3.313 3.313 3.313 . 0 0 "[ ]" 1
123 1 8 LYS HB3 1 38 ILE HG12 . . 3.750 3.172 3.172 3.172 . 0 0 "[ ]" 1
124 1 8 LYS QD 1 9 GLU H . . 3.810 3.960 3.960 3.960 0.150 1 0 "[ ]" 1
125 1 8 LYS QE 1 8 LYS HG2 . . 3.440 2.234 2.234 2.234 . 0 0 "[ ]" 1
126 1 8 LYS QE 1 8 LYS HG3 . . 3.720 3.318 3.318 3.318 . 0 0 "[ ]" 1
127 1 8 LYS QE 1 9 GLU H . . 5.500 5.134 5.134 5.134 . 0 0 "[ ]" 1
128 1 8 LYS QE 1 12 LEU MD1 . . 4.930 5.034 5.034 5.034 0.104 1 0 "[ ]" 1
129 1 8 LYS QE 1 36 ILE H . . 4.850 4.078 4.078 4.078 . 0 0 "[ ]" 1
130 1 8 LYS QE 1 36 ILE HB . . 4.040 3.332 3.332 3.332 . 0 0 "[ ]" 1
131 1 8 LYS QE 1 38 ILE H . . 5.500 4.642 4.642 4.642 . 0 0 "[ ]" 1
132 1 8 LYS QE 1 38 ILE MD . . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
133 1 8 LYS HG2 1 9 GLU H . . 5.500 3.468 3.468 3.468 . 0 0 "[ ]" 1
134 1 8 LYS HG2 1 38 ILE H . . 5.120 5.128 5.128 5.128 0.008 1 0 "[ ]" 1
135 1 8 LYS HG2 1 38 ILE MD . . 5.040 4.522 4.522 4.522 . 0 0 "[ ]" 1
136 1 8 LYS HG2 1 38 ILE HG12 . . 4.540 3.794 3.794 3.794 . 0 0 "[ ]" 1
137 1 8 LYS HG3 1 9 GLU HA . . 5.500 4.072 4.072 4.072 . 0 0 "[ ]" 1
138 1 8 LYS HG3 1 9 GLU HB3 . . 5.040 5.147 5.147 5.147 0.107 1 0 "[ ]" 1
139 1 8 LYS HG3 1 38 ILE MD . . 5.040 5.161 5.161 5.161 0.121 1 0 "[ ]" 1
140 1 9 GLU H 1 9 GLU HB2 . . 3.280 1.953 1.953 1.953 . 0 0 "[ ]" 1
141 1 9 GLU H 1 9 GLU HB3 . . 3.160 3.219 3.219 3.219 0.059 1 0 "[ ]" 1
142 1 9 GLU H 1 9 GLU HG2 . . 4.590 4.336 4.336 4.336 . 0 0 "[ ]" 1
143 1 9 GLU H 1 9 GLU HG3 . . 4.200 4.157 4.157 4.157 . 0 0 "[ ]" 1
144 1 9 GLU H 1 10 ASP H . . 3.350 2.744 2.744 2.744 . 0 0 "[ ]" 1
145 1 9 GLU H 1 10 ASP HB2 . . 5.190 4.838 4.838 4.838 . 0 0 "[ ]" 1
146 1 9 GLU H 1 11 VAL H . . 4.680 4.169 4.169 4.169 . 0 0 "[ ]" 1
147 1 9 GLU H 1 11 VAL QG . . 4.570 4.940 4.940 4.940 0.370 1 0 "[ ]" 1
148 1 9 GLU H 1 12 LEU H . . 5.490 4.769 4.769 4.769 . 0 0 "[ ]" 1
149 1 9 GLU H 1 38 ILE MD . . 5.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
150 1 9 GLU HA 1 9 GLU HG2 . . 4.140 3.574 3.574 3.574 . 0 0 "[ ]" 1
151 1 9 GLU HA 1 9 GLU HG3 . . 3.650 2.303 2.303 2.303 . 0 0 "[ ]" 1
152 1 9 GLU HA 1 11 VAL H . . 4.680 4.603 4.603 4.603 . 0 0 "[ ]" 1
153 1 9 GLU HA 1 12 LEU H . . 4.100 3.694 3.694 3.694 . 0 0 "[ ]" 1
154 1 9 GLU HA 1 12 LEU MD1 . . 3.380 2.616 2.616 2.616 . 0 0 "[ ]" 1
155 1 9 GLU HA 1 13 ASN QD . . 5.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
156 1 9 GLU HB2 1 10 ASP H . . 3.810 3.035 3.035 3.035 . 0 0 "[ ]" 1
157 1 9 GLU HB3 1 10 ASP H . . 3.670 2.791 2.791 2.791 . 0 0 "[ ]" 1
158 1 9 GLU HB3 1 10 ASP HA . . 5.500 3.714 3.714 3.714 . 0 0 "[ ]" 1
159 1 9 GLU HG2 1 10 ASP H . . 5.500 5.002 5.002 5.002 . 0 0 "[ ]" 1
160 1 9 GLU HG2 1 12 LEU MD1 . . 5.470 5.479 5.479 5.479 0.009 1 0 "[ ]" 1
161 1 9 GLU HG2 1 13 ASN QD . . 5.500 4.487 4.487 4.487 . 0 0 "[ ]" 1
162 1 9 GLU HG3 1 10 ASP H . . 5.360 4.847 4.847 4.847 . 0 0 "[ ]" 1
163 1 9 GLU HG3 1 12 LEU MD1 . . 4.950 4.155 4.155 4.155 . 0 0 "[ ]" 1
164 1 9 GLU HG3 1 13 ASN QD . . 5.500 3.517 3.517 3.517 . 0 0 "[ ]" 1
165 1 10 ASP H 1 10 ASP HB2 . . 3.130 2.318 2.318 2.318 . 0 0 "[ ]" 1
166 1 10 ASP H 1 10 ASP HB3 . . 3.540 3.561 3.561 3.561 0.021 1 0 "[ ]" 1
167 1 10 ASP H 1 11 VAL H . . 3.160 2.468 2.468 2.468 . 0 0 "[ ]" 1
168 1 10 ASP H 1 11 VAL HB . . 4.980 4.462 4.462 4.462 . 0 0 "[ ]" 1
169 1 10 ASP H 1 11 VAL QG . . 3.910 3.911 3.911 3.911 0.001 1 0 "[ ]" 1
170 1 10 ASP H 1 12 LEU H . . 4.940 4.013 4.013 4.013 . 0 0 "[ ]" 1
171 1 10 ASP H 1 13 ASN H . . 4.660 4.693 4.693 4.693 0.033 1 0 "[ ]" 1
172 1 10 ASP H 1 13 ASN QD . . 4.930 5.112 5.112 5.112 0.182 1 0 "[ ]" 1
173 1 10 ASP H 1 38 ILE MD . . 5.500 5.367 5.367 5.367 . 0 0 "[ ]" 1
174 1 10 ASP HA 1 10 ASP HB3 . . 2.990 2.528 2.528 2.528 . 0 0 "[ ]" 1
175 1 10 ASP HA 1 11 VAL HB . . 5.500 5.714 5.714 5.714 0.214 1 0 "[ ]" 1
176 1 10 ASP HA 1 12 LEU H . . 5.110 4.310 4.310 4.310 . 0 0 "[ ]" 1
177 1 10 ASP HA 1 13 ASN H . . 3.760 3.463 3.463 3.463 . 0 0 "[ ]" 1
178 1 10 ASP HA 1 13 ASN HB2 . . 3.050 2.470 2.470 2.470 . 0 0 "[ ]" 1
179 1 10 ASP HA 1 13 ASN QD . . 4.640 3.803 3.803 3.803 . 0 0 "[ ]" 1
180 1 10 ASP HA 1 14 ALA MB . . 5.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
181 1 10 ASP HA 1 72 ILE MD . . 5.500 4.534 4.534 4.534 . 0 0 "[ ]" 1
182 1 10 ASP HB2 1 11 VAL H . . 3.310 2.725 2.725 2.725 . 0 0 "[ ]" 1
183 1 10 ASP HB2 1 11 VAL HA . . 5.070 4.639 4.639 4.639 . 0 0 "[ ]" 1
184 1 10 ASP HB2 1 11 VAL HB . . 5.330 4.853 4.853 4.853 . 0 0 "[ ]" 1
185 1 10 ASP HB2 1 11 VAL QG . . 4.540 3.202 3.202 3.202 . 0 0 "[ ]" 1
186 1 10 ASP HB2 1 12 LEU H . . 5.420 5.133 5.133 5.133 . 0 0 "[ ]" 1
187 1 10 ASP HB2 1 14 ALA MB . . 5.280 5.382 5.382 5.382 0.102 1 0 "[ ]" 1
188 1 10 ASP HB2 1 72 ILE MD . . 4.660 3.755 3.755 3.755 . 0 0 "[ ]" 1
189 1 10 ASP HB2 1 72 ILE MG . . 4.630 2.922 2.922 2.922 . 0 0 "[ ]" 1
190 1 10 ASP HB3 1 11 VAL H . . 3.750 3.599 3.599 3.599 . 0 0 "[ ]" 1
191 1 10 ASP HB3 1 11 VAL HA . . 5.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
192 1 10 ASP HB3 1 12 LEU H . . 5.500 5.569 5.569 5.569 0.069 1 0 "[ ]" 1
193 1 10 ASP HB3 1 14 ALA H . . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
194 1 10 ASP HB3 1 14 ALA MB . . 5.500 4.393 4.393 4.393 . 0 0 "[ ]" 1
195 1 10 ASP HB3 1 72 ILE MD . . 4.120 3.279 3.279 3.279 . 0 0 "[ ]" 1
196 1 10 ASP HB3 1 72 ILE MG . . 3.910 2.128 2.128 2.128 . 0 0 "[ ]" 1
197 1 11 VAL H 1 11 VAL HB . . 3.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
198 1 11 VAL H 1 11 VAL QG . . 3.040 2.198 2.198 2.198 . 0 0 "[ ]" 1
199 1 11 VAL H 1 12 LEU H . . 3.190 2.692 2.692 2.692 . 0 0 "[ ]" 1
200 1 11 VAL H 1 12 LEU QB . . 4.480 4.502 4.502 4.502 0.022 1 0 "[ ]" 1
201 1 11 VAL H 1 12 LEU HG . . 5.390 4.865 4.865 4.865 . 0 0 "[ ]" 1
202 1 11 VAL H 1 13 ASN H . . 4.800 4.155 4.155 4.155 . 0 0 "[ ]" 1
203 1 11 VAL H 1 14 ALA MB . . 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
204 1 11 VAL H 1 36 ILE MG . . 5.030 4.547 4.547 4.547 . 0 0 "[ ]" 1
205 1 11 VAL H 1 38 ILE MD . . 4.830 4.179 4.179 4.179 . 0 0 "[ ]" 1
206 1 11 VAL H 1 72 ILE MD . . 4.540 3.445 3.445 3.445 . 0 0 "[ ]" 1
207 1 11 VAL HA 1 11 VAL QG . . 2.650 2.151 2.151 2.151 . 0 0 "[ ]" 1
208 1 11 VAL HA 1 12 LEU HG . . 5.500 5.565 5.565 5.565 0.065 1 0 "[ ]" 1
209 1 11 VAL HA 1 13 ASN H . . 4.990 4.595 4.595 4.595 . 0 0 "[ ]" 1
210 1 11 VAL HA 1 14 ALA H . . 3.810 3.273 3.273 3.273 . 0 0 "[ ]" 1
211 1 11 VAL HA 1 14 ALA MB . . 3.370 2.669 2.669 2.669 . 0 0 "[ ]" 1
212 1 11 VAL HA 1 15 LEU H . . 4.640 3.965 3.965 3.965 . 0 0 "[ ]" 1
213 1 11 VAL HA 1 72 ILE MD . . 3.120 1.939 1.939 1.939 . 0 0 "[ ]" 1
214 1 11 VAL HA 1 72 ILE MG . . 4.880 3.932 3.932 3.932 . 0 0 "[ ]" 1
215 1 11 VAL HB 1 12 LEU H . . 3.510 2.887 2.887 2.887 . 0 0 "[ ]" 1
216 1 11 VAL HB 1 13 ASN H . . 5.500 5.190 5.190 5.190 . 0 0 "[ ]" 1
217 1 11 VAL HB 1 14 ALA H . . 5.500 5.473 5.473 5.473 . 0 0 "[ ]" 1
218 1 11 VAL HB 1 15 LEU QD . . 5.050 4.509 4.509 4.509 . 0 0 "[ ]" 1
219 1 11 VAL HB 1 36 ILE MD . . 3.820 3.897 3.897 3.897 0.077 1 0 "[ ]" 1
220 1 11 VAL HB 1 36 ILE MG . . 3.770 2.835 2.835 2.835 . 0 0 "[ ]" 1
221 1 11 VAL HB 1 38 ILE MD . . 4.890 2.909 2.909 2.909 . 0 0 "[ ]" 1
222 1 12 LEU H 1 12 LEU QB . . 3.320 2.177 2.177 2.177 . 0 0 "[ ]" 1
223 1 12 LEU H 1 12 LEU MD1 . . 4.300 3.430 3.430 3.430 . 0 0 "[ ]" 1
224 1 12 LEU H 1 12 LEU HG . . 3.430 2.678 2.678 2.678 . 0 0 "[ ]" 1
225 1 12 LEU H 1 13 ASN H . . 3.780 2.489 2.489 2.489 . 0 0 "[ ]" 1
226 1 12 LEU H 1 13 ASN HB2 . . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 1
227 1 12 LEU H 1 13 ASN HB3 . . 5.490 5.547 5.547 5.547 0.057 1 0 "[ ]" 1
228 1 12 LEU H 1 13 ASN QD . . 5.420 4.800 4.800 4.800 . 0 0 "[ ]" 1
229 1 12 LEU H 1 14 ALA H . . 4.830 3.891 3.891 3.891 . 0 0 "[ ]" 1
230 1 12 LEU H 1 15 LEU H . . 5.500 4.820 4.820 4.820 . 0 0 "[ ]" 1
231 1 12 LEU H 1 15 LEU HB2 . . 5.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
232 1 12 LEU H 1 15 LEU QD . . 5.500 4.556 4.556 4.556 . 0 0 "[ ]" 1
233 1 12 LEU H 1 36 ILE MD . . 4.550 4.206 4.206 4.206 . 0 0 "[ ]" 1
234 1 12 LEU H 1 36 ILE MG . . 5.350 4.434 4.434 4.434 . 0 0 "[ ]" 1
235 1 12 LEU HA 1 12 LEU MD2 . . 2.910 2.188 2.188 2.188 . 0 0 "[ ]" 1
236 1 12 LEU HA 1 12 LEU HG . . 4.180 2.739 2.739 2.739 . 0 0 "[ ]" 1
237 1 12 LEU HA 1 14 ALA H . . 4.430 4.225 4.225 4.225 . 0 0 "[ ]" 1
238 1 12 LEU HA 1 15 LEU H . . 3.920 3.617 3.617 3.617 . 0 0 "[ ]" 1
239 1 12 LEU HA 1 15 LEU HB2 . . 4.270 2.876 2.876 2.876 . 0 0 "[ ]" 1
240 1 12 LEU HA 1 15 LEU QD . . 3.890 2.921 2.921 2.921 . 0 0 "[ ]" 1
241 1 12 LEU HA 1 16 LYS H . . 5.400 4.233 4.233 4.233 . 0 0 "[ ]" 1
242 1 12 LEU HA 1 36 ILE MD . . 4.690 4.015 4.015 4.015 . 0 0 "[ ]" 1
243 1 12 LEU QB 1 12 LEU MD1 . . 3.230 2.127 2.127 2.127 . 0 0 "[ ]" 1
244 1 12 LEU QB 1 13 ASN H . . 3.650 2.419 2.419 2.419 . 0 0 "[ ]" 1
245 1 12 LEU QB 1 13 ASN HA . . 5.440 3.873 3.873 3.873 . 0 0 "[ ]" 1
246 1 12 LEU QB 1 15 LEU HB2 . . 4.940 4.735 4.735 4.735 . 0 0 "[ ]" 1
247 1 12 LEU QB 1 36 ILE MG . . 4.700 5.099 5.099 5.099 0.399 1 0 "[ ]" 1
248 1 12 LEU MD2 1 13 ASN H . . 4.870 4.747 4.747 4.747 . 0 0 "[ ]" 1
249 1 12 LEU HG 1 15 LEU HB2 . . 5.500 5.459 5.459 5.459 . 0 0 "[ ]" 1
250 1 13 ASN H 1 13 ASN HB2 . . 3.020 1.974 1.974 1.974 . 0 0 "[ ]" 1
251 1 13 ASN H 1 13 ASN QD . . 5.460 2.964 2.964 2.964 . 0 0 "[ ]" 1
252 1 13 ASN H 1 14 ALA H . . 3.430 2.877 2.877 2.877 . 0 0 "[ ]" 1
253 1 13 ASN H 1 14 ALA MB . . 5.090 4.523 4.523 4.523 . 0 0 "[ ]" 1
254 1 13 ASN H 1 16 LYS QD . . 5.160 4.168 4.168 4.168 . 0 0 "[ ]" 1
255 1 13 ASN H 1 28 VAL MG2 . . 5.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
256 1 13 ASN HA 1 15 LEU H . . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
257 1 13 ASN HA 1 16 LYS H . . 4.420 3.550 3.550 3.550 . 0 0 "[ ]" 1
258 1 13 ASN HA 1 16 LYS QB . . 3.940 2.584 2.584 2.584 . 0 0 "[ ]" 1
259 1 13 ASN HA 1 16 LYS QD . . 3.260 2.468 2.468 2.468 . 0 0 "[ ]" 1
260 1 13 ASN HA 1 16 LYS HE2 . . 4.780 5.038 5.038 5.038 0.258 1 0 "[ ]" 1
261 1 13 ASN HA 1 16 LYS HE3 . . 5.480 4.841 4.841 4.841 . 0 0 "[ ]" 1
262 1 13 ASN HA 1 16 LYS HG2 . . 4.820 4.561 4.561 4.561 . 0 0 "[ ]" 1
263 1 13 ASN HA 1 16 LYS HG3 . . 4.050 3.305 3.305 3.305 . 0 0 "[ ]" 1
264 1 13 ASN HB2 1 14 ALA H . . 3.730 3.385 3.385 3.385 . 0 0 "[ ]" 1
265 1 13 ASN HB2 1 14 ALA HA . . 5.100 5.198 5.198 5.198 0.098 1 0 "[ ]" 1
266 1 13 ASN HB2 1 14 ALA MB . . 5.500 4.679 4.679 4.679 . 0 0 "[ ]" 1
267 1 13 ASN HB3 1 14 ALA H . . 3.900 3.387 3.387 3.387 . 0 0 "[ ]" 1
268 1 13 ASN HB3 1 14 ALA HA . . 5.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
269 1 13 ASN HB3 1 14 ALA MB . . 5.390 4.319 4.319 4.319 . 0 0 "[ ]" 1
270 1 14 ALA H 1 14 ALA MB . . 3.110 2.214 2.214 2.214 . 0 0 "[ ]" 1
271 1 14 ALA H 1 15 LEU H . . 3.060 2.470 2.470 2.470 . 0 0 "[ ]" 1
272 1 14 ALA H 1 15 LEU HA . . 5.040 5.099 5.099 5.099 0.059 1 0 "[ ]" 1
273 1 14 ALA H 1 15 LEU HB2 . . 5.350 4.449 4.449 4.449 . 0 0 "[ ]" 1
274 1 14 ALA H 1 16 LYS QD . . 5.500 5.372 5.372 5.372 . 0 0 "[ ]" 1
275 1 14 ALA H 1 28 VAL MG2 . . 5.230 5.177 5.177 5.177 . 0 0 "[ ]" 1
276 1 14 ALA H 1 72 ILE MD . . 4.080 3.638 3.638 3.638 . 0 0 "[ ]" 1
277 1 14 ALA HA 1 17 ASN H . . 4.210 4.940 4.940 4.940 0.730 1 1 [+] 1
278 1 14 ALA HA 1 17 ASN QD . . 4.190 2.590 2.590 2.590 . 0 0 "[ ]" 1
279 1 14 ALA HA 1 72 ILE MD . . 4.410 4.477 4.477 4.477 0.067 1 0 "[ ]" 1
280 1 14 ALA MB 1 15 LEU H . . 3.670 2.361 2.361 2.361 . 0 0 "[ ]" 1
281 1 14 ALA MB 1 16 LYS H . . 5.500 4.398 4.398 4.398 . 0 0 "[ ]" 1
282 1 14 ALA MB 1 17 ASN H . . 5.500 5.199 5.199 5.199 . 0 0 "[ ]" 1
283 1 14 ALA MB 1 17 ASN QD . . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
284 1 14 ALA MB 1 69 ILE HA . . 3.650 3.085 3.085 3.085 . 0 0 "[ ]" 1
285 1 14 ALA MB 1 69 ILE MD . . 5.180 5.007 5.007 5.007 . 0 0 "[ ]" 1
286 1 14 ALA MB 1 72 ILE H . . 5.180 4.317 4.317 4.317 . 0 0 "[ ]" 1
287 1 14 ALA MB 1 72 ILE HA . . 5.270 4.434 4.434 4.434 . 0 0 "[ ]" 1
288 1 14 ALA MB 1 72 ILE HB . . 5.420 4.446 4.446 4.446 . 0 0 "[ ]" 1
289 1 14 ALA MB 1 72 ILE MD . . 3.970 2.038 2.038 2.038 . 0 0 "[ ]" 1
290 1 14 ALA MB 1 72 ILE HG13 . . 4.050 2.822 2.822 2.822 . 0 0 "[ ]" 1
291 1 14 ALA MB 1 72 ILE MG . . 5.500 3.428 3.428 3.428 . 0 0 "[ ]" 1
292 1 15 LEU H 1 15 LEU HB2 . . 3.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
293 1 15 LEU H 1 15 LEU HB3 . . 3.290 3.558 3.558 3.558 0.268 1 0 "[ ]" 1
294 1 15 LEU H 1 15 LEU QD . . 4.260 3.182 3.182 3.182 . 0 0 "[ ]" 1
295 1 15 LEU H 1 15 LEU HG . . 3.640 2.521 2.521 2.521 . 0 0 "[ ]" 1
296 1 15 LEU H 1 16 LYS H . . 3.740 2.708 2.708 2.708 . 0 0 "[ ]" 1
297 1 15 LEU H 1 16 LYS HG3 . . 4.880 4.620 4.620 4.620 . 0 0 "[ ]" 1
298 1 15 LEU H 1 17 ASN H . . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
299 1 15 LEU H 1 17 ASN QD . . 5.500 4.557 4.557 4.557 . 0 0 "[ ]" 1
300 1 15 LEU H 1 28 VAL MG2 . . 4.590 3.989 3.989 3.989 . 0 0 "[ ]" 1
301 1 15 LEU H 1 69 ILE MD . . 5.500 5.655 5.655 5.655 0.155 1 0 "[ ]" 1
302 1 15 LEU HA 1 15 LEU QD . . 2.920 2.145 2.145 2.145 . 0 0 "[ ]" 1
303 1 15 LEU HA 1 15 LEU HG . . 3.730 2.744 2.744 2.744 . 0 0 "[ ]" 1
304 1 15 LEU HA 1 17 ASN H . . 4.280 3.266 3.266 3.266 . 0 0 "[ ]" 1
305 1 15 LEU HA 1 18 VAL HB . . 3.770 3.192 3.192 3.192 . 0 0 "[ ]" 1
306 1 15 LEU HB2 1 16 LYS H . . 4.710 2.937 2.937 2.937 . 0 0 "[ ]" 1
307 1 15 LEU HB2 1 17 ASN H . . 5.500 4.998 4.998 4.998 . 0 0 "[ ]" 1
308 1 15 LEU HB2 1 18 VAL HB . . 5.500 5.591 5.591 5.591 0.091 1 0 "[ ]" 1
309 1 15 LEU HB2 1 27 VAL QG . . 3.980 3.184 3.184 3.184 . 0 0 "[ ]" 1
310 1 15 LEU HB2 1 28 VAL MG2 . . 3.610 2.426 2.426 2.426 . 0 0 "[ ]" 1
311 1 15 LEU HB3 1 16 LYS H . . 4.570 3.681 3.681 3.681 . 0 0 "[ ]" 1
312 1 15 LEU HB3 1 18 VAL HB . . 5.480 4.225 4.225 4.225 . 0 0 "[ ]" 1
313 1 15 LEU HB3 1 28 VAL H . . 5.490 3.787 3.787 3.787 . 0 0 "[ ]" 1
314 1 15 LEU HB3 1 28 VAL MG2 . . 3.600 2.591 2.591 2.591 . 0 0 "[ ]" 1
315 1 15 LEU QD 1 17 ASN H . . 5.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
316 1 15 LEU QD 1 17 ASN QD . . 5.350 5.431 5.431 5.431 0.081 1 0 "[ ]" 1
317 1 15 LEU HG 1 18 VAL HB . . 5.410 5.506 5.506 5.506 0.096 1 0 "[ ]" 1
318 1 16 LYS H 1 16 LYS QB . . 3.190 2.273 2.273 2.273 . 0 0 "[ ]" 1
319 1 16 LYS H 1 16 LYS HG2 . . 4.240 3.595 3.595 3.595 . 0 0 "[ ]" 1
320 1 16 LYS H 1 16 LYS HG3 . . 3.730 2.453 2.453 2.453 . 0 0 "[ ]" 1
321 1 16 LYS H 1 17 ASN H . . 4.030 3.210 3.210 3.210 . 0 0 "[ ]" 1
322 1 16 LYS H 1 17 ASN QD . . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
323 1 16 LYS H 1 28 VAL MG2 . . 4.600 3.182 3.182 3.182 . 0 0 "[ ]" 1
324 1 16 LYS HA 1 16 LYS HG2 . . 3.660 2.356 2.356 2.356 . 0 0 "[ ]" 1
325 1 16 LYS HA 1 16 LYS HG3 . . 3.510 2.876 2.876 2.876 . 0 0 "[ ]" 1
326 1 16 LYS HA 1 18 VAL H . . 4.660 4.578 4.578 4.578 . 0 0 "[ ]" 1
327 1 16 LYS HA 1 26 ASP QB . . 3.350 2.840 2.840 2.840 . 0 0 "[ ]" 1
328 1 16 LYS HA 1 28 VAL H . . 3.790 4.093 4.093 4.093 0.303 1 0 "[ ]" 1
329 1 16 LYS HA 1 28 VAL HB . . 3.400 3.489 3.489 3.489 0.089 1 0 "[ ]" 1
330 1 16 LYS HA 1 28 VAL MG2 . . 3.610 3.555 3.555 3.555 . 0 0 "[ ]" 1
331 1 16 LYS HA 1 29 SER H . . 4.960 4.856 4.856 4.856 . 0 0 "[ ]" 1
332 1 16 LYS QB 1 16 LYS HE3 . . 4.340 4.157 4.157 4.157 . 0 0 "[ ]" 1
333 1 16 LYS QB 1 17 ASN H . . 4.130 3.693 3.693 3.693 . 0 0 "[ ]" 1
334 1 16 LYS QB 1 17 ASN HA . . 4.480 4.425 4.425 4.425 . 0 0 "[ ]" 1
335 1 16 LYS QB 1 18 VAL H . . 5.440 5.400 5.400 5.400 . 0 0 "[ ]" 1
336 1 16 LYS QD 1 28 VAL MG2 . . 4.160 3.733 3.733 3.733 . 0 0 "[ ]" 1
337 1 16 LYS HE2 1 28 VAL MG1 . . 4.020 2.222 2.222 2.222 . 0 0 "[ ]" 1
338 1 16 LYS HE3 1 16 LYS HG2 . . 3.990 3.558 3.558 3.558 . 0 0 "[ ]" 1
339 1 16 LYS HE3 1 28 VAL HB . . 5.500 4.967 4.967 4.967 . 0 0 "[ ]" 1
340 1 16 LYS HG2 1 28 VAL H . . 5.240 4.467 4.467 4.467 . 0 0 "[ ]" 1
341 1 16 LYS HG2 1 28 VAL HB . . 3.780 2.527 2.527 2.527 . 0 0 "[ ]" 1
342 1 16 LYS HG2 1 28 VAL MG1 . . 4.380 3.165 3.165 3.165 . 0 0 "[ ]" 1
343 1 16 LYS HG2 1 29 SER H . . 5.450 4.551 4.551 4.551 . 0 0 "[ ]" 1
344 1 16 LYS HG3 1 17 ASN H . . 5.300 5.100 5.100 5.100 . 0 0 "[ ]" 1
345 1 16 LYS HG3 1 28 VAL H . . 5.490 4.682 4.682 4.682 . 0 0 "[ ]" 1
346 1 16 LYS HG3 1 28 VAL HB . . 4.230 2.911 2.911 2.911 . 0 0 "[ ]" 1
347 1 16 LYS HG3 1 28 VAL MG2 . . 4.390 2.380 2.380 2.380 . 0 0 "[ ]" 1
348 1 16 LYS HG3 1 29 SER H . . 5.500 5.542 5.542 5.542 0.042 1 0 "[ ]" 1
349 1 17 ASN H 1 17 ASN HB2 . . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
350 1 17 ASN H 1 17 ASN HB3 . . 3.790 3.731 3.731 3.731 . 0 0 "[ ]" 1
351 1 17 ASN H 1 17 ASN QD . . 5.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
352 1 17 ASN H 1 18 VAL H . . 3.500 1.973 1.973 1.973 . 0 0 "[ ]" 1
353 1 17 ASN H 1 18 VAL HB . . 4.990 3.667 3.667 3.667 . 0 0 "[ ]" 1
354 1 17 ASN H 1 26 ASP QB . . 5.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
355 1 17 ASN H 1 28 VAL MG2 . . 5.500 5.137 5.137 5.137 . 0 0 "[ ]" 1
356 1 17 ASN H 1 68 ALA MB . . 5.330 3.963 3.963 3.963 . 0 0 "[ ]" 1
357 1 17 ASN HA 1 17 ASN HB3 . . 3.040 2.521 2.521 2.521 . 0 0 "[ ]" 1
358 1 17 ASN HA 1 18 VAL HA . . 5.500 4.862 4.862 4.862 . 0 0 "[ ]" 1
359 1 17 ASN HB2 1 18 VAL H . . 4.170 2.550 2.550 2.550 . 0 0 "[ ]" 1
360 1 17 ASN HB2 1 68 ALA MB . . 4.770 3.400 3.400 3.400 . 0 0 "[ ]" 1
361 1 17 ASN HB3 1 18 VAL H . . 4.490 3.506 3.506 3.506 . 0 0 "[ ]" 1
362 1 17 ASN HB3 1 68 ALA MB . . 4.920 4.711 4.711 4.711 . 0 0 "[ ]" 1
363 1 17 ASN QD 1 68 ALA MB . . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
364 1 18 VAL H 1 18 VAL HB . . 3.360 2.109 2.109 2.109 . 0 0 "[ ]" 1
365 1 18 VAL H 1 18 VAL MG1 . . 3.520 3.612 3.612 3.612 0.092 1 0 "[ ]" 1
366 1 18 VAL H 1 18 VAL MG2 . . 3.690 2.341 2.341 2.341 . 0 0 "[ ]" 1
367 1 18 VAL H 1 26 ASP QB . . 4.500 3.940 3.940 3.940 . 0 0 "[ ]" 1
368 1 18 VAL H 1 27 VAL QG . . 4.880 4.702 4.702 4.702 . 0 0 "[ ]" 1
369 1 18 VAL H 1 68 ALA MB . . 5.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
370 1 18 VAL HA 1 19 ILE H . . 2.770 2.414 2.414 2.414 . 0 0 "[ ]" 1
371 1 18 VAL HA 1 68 ALA MB . . 4.840 4.666 4.666 4.666 . 0 0 "[ ]" 1
372 1 18 VAL HB 1 27 VAL H . . 5.300 4.685 4.685 4.685 . 0 0 "[ ]" 1
373 1 18 VAL HB 1 27 VAL QG . . 3.380 3.706 3.706 3.706 0.326 1 0 "[ ]" 1
374 1 18 VAL HB 1 65 ALA HA . . 4.820 3.834 3.834 3.834 . 0 0 "[ ]" 1
375 1 18 VAL MG1 1 19 ILE H . . 4.140 2.324 2.324 2.324 . 0 0 "[ ]" 1
376 1 18 VAL MG1 1 64 ASP QB . . 3.630 2.378 2.378 2.378 . 0 0 "[ ]" 1
377 1 18 VAL MG1 1 65 ALA H . . 4.660 3.365 3.365 3.365 . 0 0 "[ ]" 1
378 1 18 VAL MG1 1 65 ALA HA . . 3.180 2.478 2.478 2.478 . 0 0 "[ ]" 1
379 1 18 VAL MG1 1 65 ALA MB . . 3.720 3.138 3.138 3.138 . 0 0 "[ ]" 1
380 1 18 VAL MG2 1 64 ASP HA . . 5.500 3.986 3.986 3.986 . 0 0 "[ ]" 1
381 1 18 VAL MG2 1 64 ASP QB . . 4.720 3.084 3.084 3.084 . 0 0 "[ ]" 1
382 1 18 VAL MG2 1 65 ALA HA . . 2.810 2.886 2.886 2.886 0.076 1 0 "[ ]" 1
383 1 18 VAL MG2 1 68 ALA H . . 5.210 3.010 3.010 3.010 . 0 0 "[ ]" 1
384 1 19 ILE H 1 19 ILE HB . . 3.280 2.587 2.587 2.587 . 0 0 "[ ]" 1
385 1 19 ILE H 1 19 ILE HG12 . . 4.160 3.035 3.035 3.035 . 0 0 "[ ]" 1
386 1 19 ILE H 1 19 ILE HG13 . . 4.130 4.213 4.213 4.213 0.083 1 0 "[ ]" 1
387 1 19 ILE HA 1 19 ILE MD . . 3.620 2.258 2.258 2.258 . 0 0 "[ ]" 1
388 1 19 ILE HA 1 20 ASP H . . 2.830 2.144 2.144 2.144 . 0 0 "[ ]" 1
389 1 19 ILE HA 1 20 ASP QB . . 5.500 4.162 4.162 4.162 . 0 0 "[ ]" 1
390 1 19 ILE HA 1 25 LEU H . . 5.040 4.410 4.410 4.410 . 0 0 "[ ]" 1
391 1 19 ILE HA 1 26 ASP HA . . 3.000 2.358 2.358 2.358 . 0 0 "[ ]" 1
392 1 19 ILE HA 1 26 ASP QB . . 4.210 3.594 3.594 3.594 . 0 0 "[ ]" 1
393 1 19 ILE HB 1 20 ASP H . . 3.980 4.058 4.058 4.058 0.078 1 0 "[ ]" 1
394 1 19 ILE HB 1 21 PHE HA . . 5.430 4.338 4.338 4.338 . 0 0 "[ ]" 1
395 1 19 ILE HB 1 21 PHE QB . . 5.500 5.809 5.809 5.809 0.309 1 0 "[ ]" 1
396 1 19 ILE HB 1 22 GLU HA . . 3.680 8.962 8.962 8.962 5.282 1 1 [+] 1
397 1 19 ILE HB 1 24 GLY H . . 5.500 5.608 5.608 5.608 0.108 1 0 "[ ]" 1
398 1 19 ILE HB 1 25 LEU H . . 5.210 5.650 5.650 5.650 0.440 1 0 "[ ]" 1
399 1 19 ILE HB 1 26 ASP HA . . 5.500 5.340 5.340 5.340 . 0 0 "[ ]" 1
400 1 19 ILE MD 1 19 ILE MG . . 3.530 2.128 2.128 2.128 . 0 0 "[ ]" 1
401 1 19 ILE MD 1 20 ASP H . . 4.970 3.680 3.680 3.680 . 0 0 "[ ]" 1
402 1 19 ILE MD 1 24 GLY HA2 . . 4.550 4.859 4.859 4.859 0.309 1 0 "[ ]" 1
403 1 19 ILE MD 1 24 GLY HA3 . . 5.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
404 1 19 ILE MD 1 26 ASP HA . . 3.820 2.746 2.746 2.746 . 0 0 "[ ]" 1
405 1 19 ILE MD 1 26 ASP QB . . 3.860 2.677 2.677 2.677 . 0 0 "[ ]" 1
406 1 19 ILE MD 1 27 VAL H . . 4.200 4.819 4.819 4.819 0.619 1 1 [+] 1
407 1 19 ILE HG12 1 19 ILE MG . . 3.550 3.216 3.216 3.216 . 0 0 "[ ]" 1
408 1 19 ILE HG13 1 26 ASP HA . . 5.500 5.552 5.552 5.552 0.052 1 0 "[ ]" 1
409 1 19 ILE MG 1 20 ASP H . . 3.830 2.454 2.454 2.454 . 0 0 "[ ]" 1
410 1 19 ILE MG 1 20 ASP QB . . 5.500 3.596 3.596 3.596 . 0 0 "[ ]" 1
411 1 19 ILE MG 1 21 PHE QB . . 5.330 4.452 4.452 4.452 . 0 0 "[ ]" 1
412 1 19 ILE MG 1 21 PHE QD . . 5.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
413 1 19 ILE MG 1 24 GLY H . . 5.240 2.853 2.853 2.853 . 0 0 "[ ]" 1
414 1 19 ILE MG 1 24 GLY HA2 . . 3.960 3.576 3.576 3.576 . 0 0 "[ ]" 1
415 1 19 ILE MG 1 24 GLY HA3 . . 4.450 2.283 2.283 2.283 . 0 0 "[ ]" 1
416 1 19 ILE MG 1 25 LEU H . . 4.290 2.594 2.594 2.594 . 0 0 "[ ]" 1
417 1 19 ILE MG 1 25 LEU HA . . 5.130 3.179 3.179 3.179 . 0 0 "[ ]" 1
418 1 19 ILE MG 1 26 ASP HA . . 4.360 3.961 3.961 3.961 . 0 0 "[ ]" 1
419 1 19 ILE MG 1 26 ASP QB . . 5.140 4.705 4.705 4.705 . 0 0 "[ ]" 1
420 1 20 ASP H 1 20 ASP HA . . 2.900 2.961 2.961 2.961 0.061 1 0 "[ ]" 1
421 1 20 ASP H 1 20 ASP QB . . 3.470 2.173 2.173 2.173 . 0 0 "[ ]" 1
422 1 20 ASP H 1 25 LEU H . . 5.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
423 1 20 ASP H 1 26 ASP HA . . 3.710 3.210 3.210 3.210 . 0 0 "[ ]" 1
424 1 20 ASP H 1 27 VAL QG . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
425 1 20 ASP HA 1 21 PHE QB . . 5.290 4.358 4.358 4.358 . 0 0 "[ ]" 1
426 1 20 ASP HA 1 61 ILE MD . . 3.690 3.398 3.398 3.398 . 0 0 "[ ]" 1
427 1 20 ASP HA 1 61 ILE HG12 . . 4.700 3.156 3.156 3.156 . 0 0 "[ ]" 1
428 1 20 ASP QB 1 25 LEU H . . 4.940 3.318 3.318 3.318 . 0 0 "[ ]" 1
429 1 20 ASP QB 1 25 LEU QB . . 4.240 4.503 4.503 4.503 0.263 1 0 "[ ]" 1
430 1 20 ASP QB 1 61 ILE MD . . 4.070 3.682 3.682 3.682 . 0 0 "[ ]" 1
431 1 21 PHE H 1 21 PHE QB . . 3.390 2.465 2.465 2.465 . 0 0 "[ ]" 1
432 1 21 PHE H 1 22 GLU H . . 5.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
433 1 21 PHE HA 1 21 PHE QD . . 3.850 2.721 2.721 2.721 . 0 0 "[ ]" 1
434 1 21 PHE HA 1 61 ILE MD . . 5.500 5.125 5.125 5.125 . 0 0 "[ ]" 1
435 1 21 PHE QB 1 22 GLU H . . 4.030 2.553 2.553 2.553 . 0 0 "[ ]" 1
436 1 21 PHE QB 1 22 GLU QB . . 4.910 3.628 3.628 3.628 . 0 0 "[ ]" 1
437 1 22 GLU H 1 22 GLU QB . . 2.980 2.023 2.023 2.023 . 0 0 "[ ]" 1
438 1 22 GLU H 1 22 GLU HG2 . . 4.180 4.334 4.334 4.334 0.154 1 0 "[ ]" 1
439 1 22 GLU HA 1 22 GLU HG2 . . 3.980 3.896 3.896 3.896 . 0 0 "[ ]" 1
440 1 22 GLU HA 1 24 GLY H . . 5.500 5.177 5.177 5.177 . 0 0 "[ ]" 1
441 1 23 LEU H 1 23 LEU MD2 . . 4.990 2.899 2.899 2.899 . 0 0 "[ ]" 1
442 1 23 LEU H 1 23 LEU HG . . 4.620 4.478 4.478 4.478 . 0 0 "[ ]" 1
443 1 23 LEU H 1 24 GLY HA2 . . 5.020 4.608 4.608 4.608 . 0 0 "[ ]" 1
444 1 23 LEU H 1 24 GLY HA3 . . 5.490 4.118 4.118 4.118 . 0 0 "[ ]" 1
445 1 23 LEU HA 1 23 LEU MD2 . . 3.240 2.929 2.929 2.929 . 0 0 "[ ]" 1
446 1 23 LEU HB2 1 24 GLY H . . 5.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
447 1 23 LEU HB3 1 23 LEU MD1 . . 3.460 2.444 2.444 2.444 . 0 0 "[ ]" 1
448 1 24 GLY HA3 1 25 LEU HA . . 5.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
449 1 24 GLY HA3 1 25 LEU MD2 . . 5.500 4.689 4.689 4.689 . 0 0 "[ ]" 1
450 1 25 LEU H 1 25 LEU QB . . 3.880 2.608 2.608 2.608 . 0 0 "[ ]" 1
451 1 25 LEU H 1 25 LEU MD2 . . 4.850 3.811 3.811 3.811 . 0 0 "[ ]" 1
452 1 25 LEU H 1 25 LEU HG . . 4.610 4.982 4.982 4.982 0.372 1 0 "[ ]" 1
453 1 25 LEU H 1 30 LEU MD1 . . 5.500 3.299 3.299 3.299 . 0 0 "[ ]" 1
454 1 25 LEU HA 1 25 LEU MD2 . . 3.130 2.324 2.324 2.324 . 0 0 "[ ]" 1
455 1 25 LEU HA 1 25 LEU HG . . 4.250 3.645 3.645 3.645 . 0 0 "[ ]" 1
456 1 25 LEU HA 1 26 ASP H . . 2.900 2.570 2.570 2.570 . 0 0 "[ ]" 1
457 1 25 LEU HA 1 26 ASP QB . . 4.390 4.165 4.165 4.165 . 0 0 "[ ]" 1
458 1 25 LEU QB 1 26 ASP H . . 3.960 2.548 2.548 2.548 . 0 0 "[ ]" 1
459 1 25 LEU MD1 1 26 ASP H . . 5.500 1.828 1.828 1.828 . 0 0 "[ ]" 1
460 1 26 ASP H 1 26 ASP QB . . 3.170 2.318 2.318 2.318 . 0 0 "[ ]" 1
461 1 26 ASP H 1 29 SER H . . 5.500 3.993 3.993 3.993 . 0 0 "[ ]" 1
462 1 26 ASP H 1 29 SER HB2 . . 5.360 2.631 2.631 2.631 . 0 0 "[ ]" 1
463 1 26 ASP HA 1 27 VAL H . . 2.910 2.338 2.338 2.338 . 0 0 "[ ]" 1
464 1 26 ASP HA 1 27 VAL HA . . 4.760 4.320 4.320 4.320 . 0 0 "[ ]" 1
465 1 26 ASP HA 1 27 VAL QG . . 4.700 3.375 3.375 3.375 . 0 0 "[ ]" 1
466 1 26 ASP HA 1 28 VAL H . . 5.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
467 1 26 ASP QB 1 27 VAL H . . 4.310 3.056 3.056 3.056 . 0 0 "[ ]" 1
468 1 26 ASP QB 1 27 VAL QG . . 4.950 3.533 3.533 3.533 . 0 0 "[ ]" 1
469 1 26 ASP QB 1 28 VAL H . . 3.240 3.707 3.707 3.707 0.467 1 0 "[ ]" 1
470 1 26 ASP QB 1 28 VAL MG2 . . 4.750 4.402 4.402 4.402 . 0 0 "[ ]" 1
471 1 26 ASP QB 1 29 SER H . . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
472 1 27 VAL H 1 27 VAL QG . . 3.320 1.833 1.833 1.833 . 0 0 "[ ]" 1
473 1 27 VAL H 1 30 LEU HB2 . . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
474 1 27 VAL HA 1 27 VAL QG . . 3.140 2.292 2.292 2.292 . 0 0 "[ ]" 1
475 1 27 VAL HA 1 30 LEU H . . 4.110 3.097 3.097 3.097 . 0 0 "[ ]" 1
476 1 27 VAL HA 1 30 LEU HB2 . . 3.270 2.112 2.112 2.112 . 0 0 "[ ]" 1
477 1 27 VAL HA 1 30 LEU HB3 . . 3.510 3.435 3.435 3.435 . 0 0 "[ ]" 1
478 1 27 VAL HA 1 30 LEU MD1 . . 4.060 2.832 2.832 2.832 . 0 0 "[ ]" 1
479 1 27 VAL HA 1 30 LEU HG . . 5.500 4.602 4.602 4.602 . 0 0 "[ ]" 1
480 1 27 VAL HA 1 31 GLY H . . 5.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
481 1 27 VAL HA 1 32 LEU H . . 4.280 4.357 4.357 4.357 0.077 1 0 "[ ]" 1
482 1 27 VAL HA 1 32 LEU HB2 . . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
483 1 27 VAL HA 1 32 LEU MD1 . . 4.000 2.073 2.073 2.073 . 0 0 "[ ]" 1
484 1 27 VAL HA 1 32 LEU MD2 . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1
485 1 27 VAL HA 1 32 LEU HG . . 4.550 4.466 4.466 4.466 . 0 0 "[ ]" 1
486 1 27 VAL HB 1 28 VAL H . . 4.510 3.833 3.833 3.833 . 0 0 "[ ]" 1
487 1 27 VAL HB 1 28 VAL HA . . 5.200 4.503 4.503 4.503 . 0 0 "[ ]" 1
488 1 27 VAL HB 1 29 SER H . . 5.500 5.577 5.577 5.577 0.077 1 0 "[ ]" 1
489 1 27 VAL HB 1 30 LEU HB2 . . 5.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
490 1 27 VAL HB 1 30 LEU HB3 . . 5.500 4.979 4.979 4.979 . 0 0 "[ ]" 1
491 1 27 VAL HB 1 32 LEU H . . 5.330 3.871 3.871 3.871 . 0 0 "[ ]" 1
492 1 27 VAL HB 1 32 LEU HB2 . . 3.690 3.070 3.070 3.070 . 0 0 "[ ]" 1
493 1 27 VAL HB 1 32 LEU MD1 . . 3.760 2.278 2.278 2.278 . 0 0 "[ ]" 1
494 1 27 VAL HB 1 32 LEU MD2 . . 5.450 4.593 4.593 4.593 . 0 0 "[ ]" 1
495 1 27 VAL HB 1 32 LEU HG . . 4.720 4.784 4.784 4.784 0.064 1 0 "[ ]" 1
496 1 27 VAL HB 1 61 ILE MG . . 5.130 6.228 6.228 6.228 1.098 1 1 [+] 1
497 1 27 VAL QG 1 28 VAL H . . 3.180 2.170 2.170 2.170 . 0 0 "[ ]" 1
498 1 27 VAL QG 1 29 SER H . . 5.500 4.124 4.124 4.124 . 0 0 "[ ]" 1
499 1 27 VAL QG 1 61 ILE MG . . 3.320 3.674 3.674 3.674 0.354 1 0 "[ ]" 1
500 1 28 VAL H 1 28 VAL HB . . 3.310 2.457 2.457 2.457 . 0 0 "[ ]" 1
501 1 28 VAL H 1 28 VAL MG2 . . 4.290 2.137 2.137 2.137 . 0 0 "[ ]" 1
502 1 28 VAL H 1 29 SER H . . 3.680 2.576 2.576 2.576 . 0 0 "[ ]" 1
503 1 28 VAL H 1 30 LEU H . . 4.870 4.012 4.012 4.012 . 0 0 "[ ]" 1
504 1 28 VAL HA 1 28 VAL MG1 . . 3.180 2.401 2.401 2.401 . 0 0 "[ ]" 1
505 1 28 VAL HA 1 28 VAL MG2 . . 2.830 2.330 2.330 2.330 . 0 0 "[ ]" 1
506 1 28 VAL HA 1 29 SER HA . . 4.830 4.799 4.799 4.799 . 0 0 "[ ]" 1
507 1 28 VAL HA 1 31 GLY H . . 3.590 3.374 3.374 3.374 . 0 0 "[ ]" 1
508 1 28 VAL HA 1 32 LEU H . . 4.900 3.941 3.941 3.941 . 0 0 "[ ]" 1
509 1 28 VAL HB 1 29 SER H . . 3.570 2.822 2.822 2.822 . 0 0 "[ ]" 1
510 1 28 VAL HB 1 29 SER HA . . 5.100 4.644 4.644 4.644 . 0 0 "[ ]" 1
511 1 28 VAL HB 1 29 SER HB3 . . 5.500 5.989 5.989 5.989 0.489 1 0 "[ ]" 1
512 1 28 VAL HB 1 30 LEU H . . 5.500 5.221 5.221 5.221 . 0 0 "[ ]" 1
513 1 28 VAL MG1 1 29 SER H . . 4.440 3.614 3.614 3.614 . 0 0 "[ ]" 1
514 1 28 VAL MG1 1 29 SER HA . . 4.070 3.855 3.855 3.855 . 0 0 "[ ]" 1
515 1 28 VAL MG2 1 29 SER H . . 4.170 3.926 3.926 3.926 . 0 0 "[ ]" 1
516 1 28 VAL MG2 1 31 GLY H . . 5.370 5.132 5.132 5.132 . 0 0 "[ ]" 1
517 1 29 SER H 1 29 SER HB2 . . 4.010 2.079 2.079 2.079 . 0 0 "[ ]" 1
518 1 29 SER H 1 29 SER HB3 . . 4.090 3.406 3.406 3.406 . 0 0 "[ ]" 1
519 1 29 SER H 1 30 LEU H . . 4.490 2.635 2.635 2.635 . 0 0 "[ ]" 1
520 1 29 SER H 1 30 LEU HB2 . . 5.500 4.420 4.420 4.420 . 0 0 "[ ]" 1
521 1 29 SER H 1 31 GLY H . . 5.500 3.919 3.919 3.919 . 0 0 "[ ]" 1
522 1 29 SER H 1 97 LEU QD . . 5.460 6.406 6.406 6.406 0.946 1 1 [+] 1
523 1 29 SER HA 1 29 SER HB3 . . 3.030 2.747 2.747 2.747 . 0 0 "[ ]" 1
524 1 29 SER HA 1 31 GLY H . . 5.500 3.964 3.964 3.964 . 0 0 "[ ]" 1
525 1 29 SER HB2 1 30 LEU H . . 4.430 3.023 3.023 3.023 . 0 0 "[ ]" 1
526 1 29 SER HB3 1 30 LEU H . . 4.500 3.221 3.221 3.221 . 0 0 "[ ]" 1
527 1 29 SER HB3 1 97 LEU QD . . 3.660 3.848 3.848 3.848 0.188 1 0 "[ ]" 1
528 1 30 LEU H 1 30 LEU HB2 . . 3.430 2.057 2.057 2.057 . 0 0 "[ ]" 1
529 1 30 LEU H 1 30 LEU HB3 . . 3.970 3.407 3.407 3.407 . 0 0 "[ ]" 1
530 1 30 LEU H 1 30 LEU MD1 . . 4.950 3.268 3.268 3.268 . 0 0 "[ ]" 1
531 1 30 LEU H 1 30 LEU MD2 . . 4.820 4.290 4.290 4.290 . 0 0 "[ ]" 1
532 1 30 LEU H 1 30 LEU HG . . 4.280 3.307 3.307 3.307 . 0 0 "[ ]" 1
533 1 30 LEU H 1 31 GLY H . . 4.200 2.690 2.690 2.690 . 0 0 "[ ]" 1
534 1 30 LEU HA 1 30 LEU MD1 . . 4.370 3.682 3.682 3.682 . 0 0 "[ ]" 1
535 1 30 LEU HA 1 30 LEU MD2 . . 3.300 2.562 2.562 2.562 . 0 0 "[ ]" 1
536 1 30 LEU HA 1 30 LEU HG . . 3.600 2.251 2.251 2.251 . 0 0 "[ ]" 1
537 1 30 LEU HA 1 88 TRP HZ2 . . 4.810 3.534 3.534 3.534 . 0 0 "[ ]" 1
538 1 30 LEU HA 1 93 MET H . . 4.720 4.233 4.233 4.233 . 0 0 "[ ]" 1
539 1 30 LEU HA 1 93 MET HA . . 3.260 2.600 2.600 2.600 . 0 0 "[ ]" 1
540 1 30 LEU HA 1 93 MET QB . . 5.130 3.837 3.837 3.837 . 0 0 "[ ]" 1
541 1 30 LEU HA 1 93 MET ME . . 5.260 5.190 5.190 5.190 . 0 0 "[ ]" 1
542 1 30 LEU HA 1 93 MET HG2 . . 3.530 2.149 2.149 2.149 . 0 0 "[ ]" 1
543 1 30 LEU HB2 1 31 GLY H . . 4.540 3.354 3.354 3.354 . 0 0 "[ ]" 1
544 1 30 LEU HB2 1 32 LEU MD2 . . 5.020 4.315 4.315 4.315 . 0 0 "[ ]" 1
545 1 30 LEU HB3 1 30 LEU MD1 . . 3.600 2.739 2.739 2.739 . 0 0 "[ ]" 1
546 1 30 LEU HB3 1 30 LEU MD2 . . 3.610 2.181 2.181 2.181 . 0 0 "[ ]" 1
547 1 30 LEU HB3 1 30 LEU HG . . 2.930 2.990 2.990 2.990 0.060 1 0 "[ ]" 1
548 1 30 LEU HB3 1 31 GLY H . . 4.270 3.600 3.600 3.600 . 0 0 "[ ]" 1
549 1 30 LEU HB3 1 32 LEU MD2 . . 4.430 3.253 3.253 3.253 . 0 0 "[ ]" 1
550 1 30 LEU HB3 1 88 TRP HE1 . . 5.170 4.077 4.077 4.077 . 0 0 "[ ]" 1
551 1 30 LEU HB3 1 88 TRP HZ2 . . 5.050 3.529 3.529 3.529 . 0 0 "[ ]" 1
552 1 30 LEU MD1 1 31 GLY H . . 5.500 4.970 4.970 4.970 . 0 0 "[ ]" 1
553 1 30 LEU MD1 1 32 LEU MD2 . . 4.750 3.583 3.583 3.583 . 0 0 "[ ]" 1
554 1 30 LEU MD1 1 93 MET ME . . 5.100 5.223 5.223 5.223 0.123 1 0 "[ ]" 1
555 1 30 LEU MD2 1 31 GLY H . . 5.430 4.845 4.845 4.845 . 0 0 "[ ]" 1
556 1 30 LEU MD2 1 32 LEU MD2 . . 4.090 2.938 2.938 2.938 . 0 0 "[ ]" 1
557 1 30 LEU MD2 1 88 TRP HE1 . . 5.500 4.153 4.153 4.153 . 0 0 "[ ]" 1
558 1 30 LEU MD2 1 88 TRP HH2 . . 4.880 2.661 2.661 2.661 . 0 0 "[ ]" 1
559 1 30 LEU MD2 1 88 TRP HZ2 . . 4.270 2.200 2.200 2.200 . 0 0 "[ ]" 1
560 1 30 LEU MD2 1 93 MET ME . . 3.430 3.489 3.489 3.489 0.059 1 0 "[ ]" 1
561 1 30 LEU MD2 1 93 MET HG2 . . 4.360 2.192 2.192 2.192 . 0 0 "[ ]" 1
562 1 30 LEU HG 1 32 LEU MD2 . . 5.500 5.344 5.344 5.344 . 0 0 "[ ]" 1
563 1 30 LEU HG 1 88 TRP HZ2 . . 5.500 4.554 4.554 4.554 . 0 0 "[ ]" 1
564 1 31 GLY H 1 88 TRP HE1 . . 5.500 4.910 4.910 4.910 . 0 0 "[ ]" 1
565 1 31 GLY QA 1 88 TRP HE1 . . 4.850 3.412 3.412 3.412 . 0 0 "[ ]" 1
566 1 31 GLY HA2 1 88 TRP HE1 . . 4.510 3.519 3.519 3.519 . 0 0 "[ ]" 1
567 1 32 LEU H 1 32 LEU HB2 . . 3.760 2.637 2.637 2.637 . 0 0 "[ ]" 1
568 1 32 LEU H 1 32 LEU HB3 . . 4.020 3.765 3.765 3.765 . 0 0 "[ ]" 1
569 1 32 LEU H 1 32 LEU MD1 . . 4.380 2.661 2.661 2.661 . 0 0 "[ ]" 1
570 1 32 LEU H 1 32 LEU MD2 . . 4.480 4.324 4.324 4.324 . 0 0 "[ ]" 1
571 1 32 LEU H 1 32 LEU HG . . 3.600 3.048 3.048 3.048 . 0 0 "[ ]" 1
572 1 32 LEU H 1 33 VAL HB . . 5.500 5.561 5.561 5.561 0.061 1 0 "[ ]" 1
573 1 32 LEU H 1 33 VAL QG . . 4.860 3.004 3.004 3.004 . 0 0 "[ ]" 1
574 1 32 LEU H 1 88 TRP HD1 . . 5.500 5.482 5.482 5.482 . 0 0 "[ ]" 1
575 1 32 LEU H 1 88 TRP HE1 . . 5.500 4.330 4.330 4.330 . 0 0 "[ ]" 1
576 1 32 LEU HA 1 32 LEU MD1 . . 4.620 3.774 3.774 3.774 . 0 0 "[ ]" 1
577 1 32 LEU HA 1 32 LEU MD2 . . 3.330 3.077 3.077 3.077 . 0 0 "[ ]" 1
578 1 32 LEU HA 1 49 THR H . . 4.290 4.439 4.439 4.439 0.149 1 0 "[ ]" 1
579 1 32 LEU HA 1 49 THR HB . . 5.220 6.368 6.368 6.368 1.148 1 1 [+] 1
580 1 32 LEU HA 1 49 THR MG . . 3.480 3.601 3.601 3.601 0.121 1 0 "[ ]" 1
581 1 32 LEU HA 1 88 TRP HD1 . . 3.830 2.935 2.935 2.935 . 0 0 "[ ]" 1
582 1 32 LEU HA 1 88 TRP HE1 . . 5.410 3.132 3.132 3.132 . 0 0 "[ ]" 1
583 1 32 LEU HB2 1 49 THR H . . 4.720 3.735 3.735 3.735 . 0 0 "[ ]" 1
584 1 32 LEU HB3 1 32 LEU MD1 . . 3.670 2.932 2.932 2.932 . 0 0 "[ ]" 1
585 1 32 LEU HB3 1 48 MET ME . . 4.010 3.259 3.259 3.259 . 0 0 "[ ]" 1
586 1 32 LEU HB3 1 49 THR H . . 4.260 2.629 2.629 2.629 . 0 0 "[ ]" 1
587 1 32 LEU HB3 1 49 THR MG . . 4.640 3.159 3.159 3.159 . 0 0 "[ ]" 1
588 1 32 LEU MD1 1 50 MET HA . . 3.930 4.015 4.015 4.015 0.085 1 0 "[ ]" 1
589 1 32 LEU MD1 1 88 TRP HD1 . . 5.500 5.602 5.602 5.602 0.102 1 0 "[ ]" 1
590 1 32 LEU MD2 1 48 MET ME . . 5.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
591 1 32 LEU MD2 1 49 THR H . . 5.330 3.705 3.705 3.705 . 0 0 "[ ]" 1
592 1 32 LEU MD2 1 49 THR MG . . 3.830 2.991 2.991 2.991 . 0 0 "[ ]" 1
593 1 32 LEU MD2 1 50 MET HA . . 3.700 2.104 2.104 2.104 . 0 0 "[ ]" 1
594 1 32 LEU MD2 1 88 TRP HA . . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
595 1 32 LEU MD2 1 88 TRP HB2 . . 5.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
596 1 32 LEU MD2 1 88 TRP HB3 . . 5.500 4.476 4.476 4.476 . 0 0 "[ ]" 1
597 1 32 LEU MD2 1 88 TRP HD1 . . 4.070 3.994 3.994 3.994 . 0 0 "[ ]" 1
598 1 32 LEU MD2 1 88 TRP HE1 . . 4.750 3.812 3.812 3.812 . 0 0 "[ ]" 1
599 1 32 LEU MD2 1 88 TRP HH2 . . 4.940 5.103 5.103 5.103 0.163 1 0 "[ ]" 1
600 1 32 LEU MD2 1 88 TRP HZ2 . . 4.720 4.379 4.379 4.379 . 0 0 "[ ]" 1
601 1 33 VAL H 1 33 VAL HB . . 3.410 3.502 3.502 3.502 0.092 1 0 "[ ]" 1
602 1 33 VAL H 1 33 VAL QG . . 4.060 1.865 1.865 1.865 . 0 0 "[ ]" 1
603 1 33 VAL H 1 48 MET ME . . 4.850 4.945 4.945 4.945 0.095 1 0 "[ ]" 1
604 1 33 VAL HA 1 33 VAL QG . . 3.030 2.224 2.224 2.224 . 0 0 "[ ]" 1
605 1 33 VAL HA 1 34 TYR H . . 2.960 2.075 2.075 2.075 . 0 0 "[ ]" 1
606 1 33 VAL HA 1 34 TYR HA . . 5.470 4.475 4.475 4.475 . 0 0 "[ ]" 1
607 1 33 VAL HA 1 34 TYR QB . . 5.010 3.936 3.936 3.936 . 0 0 "[ ]" 1
608 1 33 VAL HA 1 34 TYR QD . . 5.090 4.706 4.706 4.706 . 0 0 "[ ]" 1
609 1 33 VAL HA 1 47 LEU H . . 5.500 4.955 4.955 4.955 . 0 0 "[ ]" 1
610 1 33 VAL HA 1 48 MET HA . . 3.340 2.433 2.433 2.433 . 0 0 "[ ]" 1
611 1 33 VAL HA 1 48 MET HB2 . . 4.540 3.401 3.401 3.401 . 0 0 "[ ]" 1
612 1 33 VAL HA 1 48 MET HB3 . . 4.920 4.580 4.580 4.580 . 0 0 "[ ]" 1
613 1 33 VAL HA 1 48 MET QG . . 3.610 2.218 2.218 2.218 . 0 0 "[ ]" 1
614 1 33 VAL HA 1 49 THR H . . 4.250 4.347 4.347 4.347 0.097 1 0 "[ ]" 1
615 1 33 VAL HA 1 49 THR MG . . 5.500 5.014 5.014 5.014 . 0 0 "[ ]" 1
616 1 33 VAL HB 1 34 TYR H . . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
617 1 33 VAL QG 1 34 TYR H . . 3.910 3.689 3.689 3.689 . 0 0 "[ ]" 1
618 1 33 VAL QG 1 34 TYR HA . . 5.500 4.589 4.589 4.589 . 0 0 "[ ]" 1
619 1 33 VAL QG 1 35 ASP H . . 3.040 4.336 4.336 4.336 1.296 1 1 [+] 1
620 1 33 VAL QG 1 47 LEU H . . 5.050 4.794 4.794 4.794 . 0 0 "[ ]" 1
621 1 33 VAL QG 1 48 MET HA . . 4.620 3.498 3.498 3.498 . 0 0 "[ ]" 1
622 1 34 TYR H 1 34 TYR QB . . 3.710 2.016 2.016 2.016 . 0 0 "[ ]" 1
623 1 34 TYR H 1 34 TYR QD . . 4.760 3.224 3.224 3.224 . 0 0 "[ ]" 1
624 1 34 TYR H 1 35 ASP H . . 3.730 2.530 2.530 2.530 . 0 0 "[ ]" 1
625 1 34 TYR H 1 46 VAL MG1 . . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
626 1 34 TYR H 1 47 LEU H . . 5.500 4.520 4.520 4.520 . 0 0 "[ ]" 1
627 1 34 TYR H 1 47 LEU HB2 . . 5.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
628 1 34 TYR H 1 47 LEU HB3 . . 5.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
629 1 34 TYR H 1 48 MET HA . . 3.790 2.750 2.750 2.750 . 0 0 "[ ]" 1
630 1 34 TYR H 1 49 THR H . . 5.500 4.880 4.880 4.880 . 0 0 "[ ]" 1
631 1 34 TYR H 1 49 THR MG . . 5.500 4.555 4.555 4.555 . 0 0 "[ ]" 1
632 1 34 TYR HA 1 34 TYR QD . . 2.970 2.404 2.404 2.404 . 0 0 "[ ]" 1
633 1 34 TYR QB 1 35 ASP H . . 3.920 2.520 2.520 2.520 . 0 0 "[ ]" 1
634 1 34 TYR QB 1 47 LEU H . . 5.500 4.341 4.341 4.341 . 0 0 "[ ]" 1
635 1 34 TYR QB 1 47 LEU HB2 . . 4.100 3.050 3.050 3.050 . 0 0 "[ ]" 1
636 1 34 TYR QB 1 47 LEU HB3 . . 3.560 2.164 2.164 2.164 . 0 0 "[ ]" 1
637 1 34 TYR QB 1 47 LEU MD2 . . 4.900 3.117 3.117 3.117 . 0 0 "[ ]" 1
638 1 34 TYR QB 1 47 LEU HG . . 4.420 4.273 4.273 4.273 . 0 0 "[ ]" 1
639 1 34 TYR QB 1 48 MET HA . . 4.820 3.716 3.716 3.716 . 0 0 "[ ]" 1
640 1 34 TYR QB 1 48 MET ME . . 5.500 7.165 7.165 7.165 1.665 1 1 [+] 1
641 1 34 TYR QD 1 47 LEU HA . . 5.150 5.047 5.047 5.047 . 0 0 "[ ]" 1
642 1 34 TYR QD 1 47 LEU HB2 . . 5.500 4.869 4.869 4.869 . 0 0 "[ ]" 1
643 1 34 TYR QD 1 47 LEU HB3 . . 5.240 3.390 3.390 3.390 . 0 0 "[ ]" 1
644 1 34 TYR QD 1 47 LEU MD2 . . 4.310 4.189 4.189 4.189 . 0 0 "[ ]" 1
645 1 34 TYR QD 1 47 LEU HG . . 5.470 4.962 4.962 4.962 . 0 0 "[ ]" 1
646 1 34 TYR QD 1 49 THR MG . . 5.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
647 1 34 TYR QD 1 83 THR MG . . 3.770 4.387 4.387 4.387 0.617 1 1 [+] 1
648 1 34 TYR QE 1 49 THR HA . . 3.560 5.819 5.819 5.819 2.259 1 1 [+] 1
649 1 34 TYR QE 1 49 THR HB . . 4.490 3.660 3.660 3.660 . 0 0 "[ ]" 1
650 1 34 TYR QE 1 49 THR MG . . 3.540 2.017 2.017 2.017 . 0 0 "[ ]" 1
651 1 34 TYR QE 1 83 THR MG . . 3.670 4.438 4.438 4.438 0.768 1 1 [+] 1
652 1 34 TYR QE 1 86 PRO HD2 . . 4.410 4.257 4.257 4.257 . 0 0 "[ ]" 1
653 1 34 TYR QE 1 86 PRO HG2 . . 4.050 3.899 3.899 3.899 . 0 0 "[ ]" 1
654 1 34 TYR QE 1 86 PRO HG3 . . 5.500 5.474 5.474 5.474 . 0 0 "[ ]" 1
655 1 35 ASP H 1 35 ASP HB2 . . 3.960 2.783 2.783 2.783 . 0 0 "[ ]" 1
656 1 35 ASP H 1 35 ASP HB3 . . 3.900 2.969 2.969 2.969 . 0 0 "[ ]" 1
657 1 35 ASP H 1 46 VAL MG1 . . 4.730 3.511 3.511 3.511 . 0 0 "[ ]" 1
658 1 35 ASP H 1 47 LEU H . . 4.040 2.883 2.883 2.883 . 0 0 "[ ]" 1
659 1 35 ASP H 1 47 LEU HA . . 5.490 4.529 4.529 4.529 . 0 0 "[ ]" 1
660 1 35 ASP H 1 47 LEU HB2 . . 3.980 2.529 2.529 2.529 . 0 0 "[ ]" 1
661 1 35 ASP H 1 47 LEU HB3 . . 3.720 3.112 3.112 3.112 . 0 0 "[ ]" 1
662 1 35 ASP H 1 47 LEU MD2 . . 4.650 4.196 4.196 4.196 . 0 0 "[ ]" 1
663 1 35 ASP H 1 47 LEU HG . . 5.320 5.241 5.241 5.241 . 0 0 "[ ]" 1
664 1 35 ASP H 1 48 MET HA . . 5.410 4.608 4.608 4.608 . 0 0 "[ ]" 1
665 1 35 ASP HA 1 36 ILE H . . 2.560 2.330 2.330 2.330 . 0 0 "[ ]" 1
666 1 35 ASP HA 1 36 ILE HA . . 4.720 4.587 4.587 4.587 . 0 0 "[ ]" 1
667 1 35 ASP HA 1 36 ILE MD . . 4.220 4.538 4.538 4.538 0.318 1 0 "[ ]" 1
668 1 35 ASP HA 1 36 ILE QG . . 3.910 3.649 3.649 3.649 . 0 0 "[ ]" 1
669 1 35 ASP HA 1 47 LEU H . . 4.860 4.679 4.679 4.679 . 0 0 "[ ]" 1
670 1 35 ASP HB2 1 36 ILE H . . 4.230 4.268 4.268 4.268 0.038 1 0 "[ ]" 1
671 1 35 ASP HB2 1 47 LEU H . . 5.170 4.087 4.087 4.087 . 0 0 "[ ]" 1
672 1 35 ASP HB2 1 47 LEU HB2 . . 3.710 2.570 2.570 2.570 . 0 0 "[ ]" 1
673 1 35 ASP HB2 1 47 LEU MD1 . . 4.280 3.931 3.931 3.931 . 0 0 "[ ]" 1
674 1 35 ASP HB2 1 47 LEU MD2 . . 3.680 2.897 2.897 2.897 . 0 0 "[ ]" 1
675 1 35 ASP HB3 1 36 ILE H . . 4.400 3.493 3.493 3.493 . 0 0 "[ ]" 1
676 1 35 ASP HB3 1 37 GLN H . . 5.500 4.848 4.848 4.848 . 0 0 "[ ]" 1
677 1 35 ASP HB3 1 37 GLN HB2 . . 5.360 5.422 5.422 5.422 0.062 1 0 "[ ]" 1
678 1 35 ASP HB3 1 37 GLN HE21 . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
679 1 35 ASP HB3 1 47 LEU H . . 4.540 2.906 2.906 2.906 . 0 0 "[ ]" 1
680 1 35 ASP HB3 1 47 LEU HB2 . . 4.230 2.208 2.208 2.208 . 0 0 "[ ]" 1
681 1 35 ASP HB3 1 47 LEU HB3 . . 3.570 3.908 3.908 3.908 0.338 1 0 "[ ]" 1
682 1 35 ASP HB3 1 47 LEU MD1 . . 4.560 3.048 3.048 3.048 . 0 0 "[ ]" 1
683 1 35 ASP HB3 1 47 LEU HG . . 4.970 4.961 4.961 4.961 . 0 0 "[ ]" 1
684 1 36 ILE H 1 36 ILE HB . . 3.640 2.890 2.890 2.890 . 0 0 "[ ]" 1
685 1 36 ILE H 1 36 ILE MD . . 4.020 4.080 4.080 4.080 0.060 1 0 "[ ]" 1
686 1 36 ILE H 1 36 ILE QG . . 3.210 3.236 3.236 3.236 0.026 1 0 "[ ]" 1
687 1 36 ILE H 1 36 ILE MG . . 4.670 3.962 3.962 3.962 . 0 0 "[ ]" 1
688 1 36 ILE H 1 37 GLN H . . 4.520 3.929 3.929 3.929 . 0 0 "[ ]" 1
689 1 36 ILE H 1 37 GLN HB2 . . 5.500 5.282 5.282 5.282 . 0 0 "[ ]" 1
690 1 36 ILE H 1 47 LEU H . . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
691 1 36 ILE HA 1 36 ILE MD . . 4.520 4.002 4.002 4.002 . 0 0 "[ ]" 1
692 1 36 ILE HA 1 36 ILE QG . . 3.960 2.631 2.631 2.631 . 0 0 "[ ]" 1
693 1 36 ILE HA 1 36 ILE MG . . 3.510 2.374 2.374 2.374 . 0 0 "[ ]" 1
694 1 36 ILE HA 1 37 GLN H . . 2.850 2.246 2.246 2.246 . 0 0 "[ ]" 1
695 1 36 ILE HA 1 46 VAL H . . 5.410 4.925 4.925 4.925 . 0 0 "[ ]" 1
696 1 36 ILE HA 1 46 VAL HA . . 3.620 2.387 2.387 2.387 . 0 0 "[ ]" 1
697 1 36 ILE HA 1 46 VAL MG1 . . 5.020 3.079 3.079 3.079 . 0 0 "[ ]" 1
698 1 36 ILE HA 1 47 LEU H . . 4.040 3.629 3.629 3.629 . 0 0 "[ ]" 1
699 1 36 ILE HB 1 37 GLN H . . 4.810 4.501 4.501 4.501 . 0 0 "[ ]" 1
700 1 36 ILE QG 1 37 GLN H . . 5.500 4.554 4.554 4.554 . 0 0 "[ ]" 1
701 1 36 ILE MG 1 37 GLN H . . 3.610 3.263 3.263 3.263 . 0 0 "[ ]" 1
702 1 36 ILE MG 1 38 ILE H . . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
703 1 36 ILE MG 1 38 ILE HG13 . . 3.870 3.316 3.316 3.316 . 0 0 "[ ]" 1
704 1 37 GLN H 1 37 GLN HB2 . . 3.510 2.176 2.176 2.176 . 0 0 "[ ]" 1
705 1 37 GLN H 1 37 GLN HB3 . . 3.840 3.428 3.428 3.428 . 0 0 "[ ]" 1
706 1 37 GLN H 1 37 GLN HE21 . . 5.290 4.563 4.563 4.563 . 0 0 "[ ]" 1
707 1 37 GLN H 1 37 GLN HG2 . . 4.150 4.287 4.287 4.287 0.137 1 0 "[ ]" 1
708 1 37 GLN H 1 37 GLN HG3 . . 4.130 3.923 3.923 3.923 . 0 0 "[ ]" 1
709 1 37 GLN H 1 38 ILE H . . 4.290 4.354 4.354 4.354 0.064 1 0 "[ ]" 1
710 1 37 GLN H 1 38 ILE HA . . 5.500 4.794 4.794 4.794 . 0 0 "[ ]" 1
711 1 37 GLN H 1 38 ILE MD . . 5.500 3.345 3.345 3.345 . 0 0 "[ ]" 1
712 1 37 GLN H 1 45 LYS HA . . 5.480 4.997 4.997 4.997 . 0 0 "[ ]" 1
713 1 37 GLN H 1 45 LYS HB3 . . 4.410 3.627 3.627 3.627 . 0 0 "[ ]" 1
714 1 37 GLN H 1 46 VAL HA . . 4.020 3.534 3.534 3.534 . 0 0 "[ ]" 1
715 1 37 GLN H 1 47 LEU H . . 5.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
716 1 37 GLN HA 1 37 GLN HG2 . . 3.750 3.581 3.581 3.581 . 0 0 "[ ]" 1
717 1 37 GLN HA 1 37 GLN HG3 . . 3.840 2.246 2.246 2.246 . 0 0 "[ ]" 1
718 1 37 GLN HA 1 38 ILE H . . 2.570 2.254 2.254 2.254 . 0 0 "[ ]" 1
719 1 37 GLN HB2 1 38 ILE H . . 4.160 4.296 4.296 4.296 0.136 1 0 "[ ]" 1
720 1 37 GLN HB2 1 38 ILE HA . . 5.500 4.890 4.890 4.890 . 0 0 "[ ]" 1
721 1 37 GLN HB3 1 37 GLN HE22 . . 5.500 5.119 5.119 5.119 . 0 0 "[ ]" 1
722 1 37 GLN HB3 1 38 ILE H . . 3.700 3.211 3.211 3.211 . 0 0 "[ ]" 1
723 1 37 GLN HE21 1 45 LYS QE . . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
724 1 37 GLN HE21 1 47 LEU MD1 . . 5.500 4.139 4.139 4.139 . 0 0 "[ ]" 1
725 1 37 GLN HE22 1 45 LYS QE . . 5.500 5.119 5.119 5.119 . 0 0 "[ ]" 1
726 1 37 GLN HE22 1 47 LEU MD1 . . 5.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
727 1 37 GLN HG2 1 38 ILE H . . 5.060 5.012 5.012 5.012 . 0 0 "[ ]" 1
728 1 37 GLN HG3 1 38 ILE H . . 4.590 3.978 3.978 3.978 . 0 0 "[ ]" 1
729 1 37 GLN HG3 1 38 ILE HG12 . . 5.500 5.523 5.523 5.523 0.023 1 0 "[ ]" 1
730 1 38 ILE H 1 38 ILE HB . . 3.220 2.844 2.844 2.844 . 0 0 "[ ]" 1
731 1 38 ILE H 1 38 ILE MD . . 4.490 3.753 3.753 3.753 . 0 0 "[ ]" 1
732 1 38 ILE H 1 38 ILE HG12 . . 5.380 2.563 2.563 2.563 . 0 0 "[ ]" 1
733 1 38 ILE H 1 38 ILE HG13 . . 4.230 3.994 3.994 3.994 . 0 0 "[ ]" 1
734 1 38 ILE H 1 38 ILE MG . . 4.520 3.936 3.936 3.936 . 0 0 "[ ]" 1
735 1 38 ILE H 1 39 ASP H . . 4.760 3.894 3.894 3.894 . 0 0 "[ ]" 1
736 1 38 ILE H 1 39 ASP HA . . 5.200 4.495 4.495 4.495 . 0 0 "[ ]" 1
737 1 38 ILE HA 1 38 ILE HG12 . . 3.320 3.285 3.285 3.285 . 0 0 "[ ]" 1
738 1 38 ILE HA 1 38 ILE HG13 . . 3.920 3.858 3.858 3.858 . 0 0 "[ ]" 1
739 1 38 ILE HA 1 38 ILE MG . . 3.290 2.214 2.214 2.214 . 0 0 "[ ]" 1
740 1 38 ILE HA 1 39 ASP H . . 2.760 2.140 2.140 2.140 . 0 0 "[ ]" 1
741 1 38 ILE HA 1 43 ASN H . . 4.850 4.492 4.492 4.492 . 0 0 "[ ]" 1
742 1 38 ILE HA 1 44 VAL H . . 5.250 4.831 4.831 4.831 . 0 0 "[ ]" 1
743 1 38 ILE HA 1 44 VAL HA . . 3.350 2.691 2.691 2.691 . 0 0 "[ ]" 1
744 1 38 ILE HA 1 44 VAL MG2 . . 4.840 3.919 3.919 3.919 . 0 0 "[ ]" 1
745 1 38 ILE HA 1 45 LYS H . . 3.830 3.021 3.021 3.021 . 0 0 "[ ]" 1
746 1 38 ILE HB 1 38 ILE MD . . 3.580 3.302 3.302 3.302 . 0 0 "[ ]" 1
747 1 38 ILE HB 1 39 ASP H . . 4.650 4.319 4.319 4.319 . 0 0 "[ ]" 1
748 1 38 ILE HB 1 42 ASN HA . . 5.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
749 1 38 ILE HB 1 45 LYS H . . 5.460 5.421 5.421 5.421 . 0 0 "[ ]" 1
750 1 38 ILE MD 1 38 ILE MG . . 3.430 2.217 2.217 2.217 . 0 0 "[ ]" 1
751 1 38 ILE MD 1 39 ASP H . . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
752 1 38 ILE MD 1 42 ASN HA . . 5.500 5.353 5.353 5.353 . 0 0 "[ ]" 1
753 1 38 ILE MD 1 45 LYS H . . 5.500 2.383 2.383 2.383 . 0 0 "[ ]" 1
754 1 38 ILE HG12 1 39 ASP H . . 5.500 5.188 5.188 5.188 . 0 0 "[ ]" 1
755 1 38 ILE HG12 1 44 VAL HA . . 4.470 4.451 4.451 4.451 . 0 0 "[ ]" 1
756 1 38 ILE HG12 1 45 LYS H . . 5.230 4.325 4.325 4.325 . 0 0 "[ ]" 1
757 1 38 ILE HG13 1 45 LYS H . . 4.920 5.029 5.029 5.029 0.109 1 0 "[ ]" 1
758 1 38 ILE MG 1 39 ASP H . . 3.700 3.285 3.285 3.285 . 0 0 "[ ]" 1
759 1 38 ILE MG 1 39 ASP HA . . 5.260 4.721 4.721 4.721 . 0 0 "[ ]" 1
760 1 38 ILE MG 1 41 GLN H . . 5.500 5.579 5.579 5.579 0.079 1 0 "[ ]" 1
761 1 38 ILE MG 1 42 ASN H . . 3.940 3.894 3.894 3.894 . 0 0 "[ ]" 1
762 1 38 ILE MG 1 42 ASN HA . . 3.260 2.463 2.463 2.463 . 0 0 "[ ]" 1
763 1 38 ILE MG 1 43 ASN H . . 4.530 3.764 3.764 3.764 . 0 0 "[ ]" 1
764 1 38 ILE MG 1 44 VAL H . . 5.450 3.730 3.730 3.730 . 0 0 "[ ]" 1
765 1 38 ILE MG 1 44 VAL HA . . 4.260 2.151 2.151 2.151 . 0 0 "[ ]" 1
766 1 38 ILE MG 1 45 LYS H . . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
767 1 39 ASP H 1 39 ASP HB2 . . 3.650 2.232 2.232 2.232 . 0 0 "[ ]" 1
768 1 39 ASP H 1 40 ASP HA . . 5.500 5.710 5.710 5.710 0.210 1 0 "[ ]" 1
769 1 39 ASP H 1 42 ASN H . . 4.930 4.667 4.667 4.667 . 0 0 "[ ]" 1
770 1 39 ASP H 1 42 ASN HA . . 4.620 4.419 4.419 4.419 . 0 0 "[ ]" 1
771 1 39 ASP H 1 43 ASN H . . 3.400 3.258 3.258 3.258 . 0 0 "[ ]" 1
772 1 39 ASP H 1 43 ASN HA . . 5.500 4.903 4.903 4.903 . 0 0 "[ ]" 1
773 1 39 ASP H 1 43 ASN HB3 . . 4.980 4.245 4.245 4.245 . 0 0 "[ ]" 1
774 1 39 ASP H 1 44 VAL HA . . 4.240 4.171 4.171 4.171 . 0 0 "[ ]" 1
775 1 39 ASP H 1 45 LYS H . . 5.070 4.456 4.456 4.456 . 0 0 "[ ]" 1
776 1 39 ASP HA 1 40 ASP H . . 3.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
777 1 39 ASP HA 1 40 ASP HA . . 4.840 4.383 4.383 4.383 . 0 0 "[ ]" 1
778 1 39 ASP HA 1 41 GLN H . . 4.910 4.026 4.026 4.026 . 0 0 "[ ]" 1
779 1 39 ASP HA 1 42 ASN H . . 5.310 4.802 4.802 4.802 . 0 0 "[ ]" 1
780 1 39 ASP HA 1 43 ASN H . . 5.500 4.680 4.680 4.680 . 0 0 "[ ]" 1
781 1 39 ASP HB3 1 40 ASP H . . 3.160 3.225 3.225 3.225 0.065 1 0 "[ ]" 1
782 1 39 ASP HB3 1 41 GLN H . . 4.550 2.623 2.623 2.623 . 0 0 "[ ]" 1
783 1 39 ASP HB3 1 43 ASN QD . . 5.500 3.126 3.126 3.126 . 0 0 "[ ]" 1
784 1 40 ASP H 1 40 ASP QB . . 3.370 2.262 2.262 2.262 . 0 0 "[ ]" 1
785 1 40 ASP HA 1 40 ASP QB . . 2.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
786 1 40 ASP HA 1 42 ASN H . . 4.060 2.978 2.978 2.978 . 0 0 "[ ]" 1
787 1 40 ASP QB 1 41 GLN H . . 4.300 3.205 3.205 3.205 . 0 0 "[ ]" 1
788 1 40 ASP QB 1 41 GLN HE21 . . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
789 1 40 ASP QB 1 41 GLN HE22 . . 5.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
790 1 40 ASP QB 1 43 ASN QD . . 5.500 6.107 6.107 6.107 0.607 1 1 [+] 1
791 1 41 GLN H 1 41 GLN HB2 . . 3.370 2.514 2.514 2.514 . 0 0 "[ ]" 1
792 1 41 GLN H 1 41 GLN HB3 . . 3.900 3.685 3.685 3.685 . 0 0 "[ ]" 1
793 1 41 GLN H 1 41 GLN HE21 . . 5.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
794 1 41 GLN H 1 41 GLN HE22 . . 5.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
795 1 41 GLN H 1 41 GLN QG . . 3.630 2.557 2.557 2.557 . 0 0 "[ ]" 1
796 1 41 GLN H 1 42 ASN H . . 2.980 2.629 2.629 2.629 . 0 0 "[ ]" 1
797 1 41 GLN H 1 42 ASN HA . . 4.570 4.636 4.636 4.636 0.066 1 0 "[ ]" 1
798 1 41 GLN H 1 43 ASN H . . 3.810 3.567 3.567 3.567 . 0 0 "[ ]" 1
799 1 41 GLN H 1 43 ASN QD . . 5.050 3.693 3.693 3.693 . 0 0 "[ ]" 1
800 1 41 GLN HA 1 41 GLN HE21 . . 5.500 1.830 1.830 1.830 . 0 0 "[ ]" 1
801 1 41 GLN HA 1 41 GLN HE22 . . 5.500 3.165 3.165 3.165 . 0 0 "[ ]" 1
802 1 41 GLN HA 1 41 GLN QG . . 3.070 3.102 3.102 3.102 0.032 1 0 "[ ]" 1
803 1 41 GLN HA 1 42 ASN H . . 3.450 3.120 3.120 3.120 . 0 0 "[ ]" 1
804 1 41 GLN HA 1 43 ASN H . . 4.580 4.628 4.628 4.628 0.048 1 0 "[ ]" 1
805 1 41 GLN HA 1 43 ASN QD . . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
806 1 41 GLN HA 1 76 ASN HD22 . . 5.500 5.845 5.845 5.845 0.345 1 0 "[ ]" 1
807 1 41 GLN HB2 1 41 GLN HE22 . . 5.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
808 1 41 GLN HB2 1 42 ASN H . . 4.440 3.976 3.976 3.976 . 0 0 "[ ]" 1
809 1 41 GLN HB2 1 43 ASN H . . 4.310 3.668 3.668 3.668 . 0 0 "[ ]" 1
810 1 41 GLN HB2 1 43 ASN HB2 . . 5.040 4.390 4.390 4.390 . 0 0 "[ ]" 1
811 1 41 GLN HB2 1 43 ASN QD . . 3.960 1.985 1.985 1.985 . 0 0 "[ ]" 1
812 1 41 GLN HB2 1 76 ASN HD21 . . 5.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
813 1 41 GLN HB2 1 76 ASN HD22 . . 5.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
814 1 41 GLN HB3 1 42 ASN H . . 4.570 4.543 4.543 4.543 . 0 0 "[ ]" 1
815 1 41 GLN HB3 1 43 ASN H . . 4.940 4.649 4.649 4.649 . 0 0 "[ ]" 1
816 1 41 GLN HB3 1 43 ASN QD . . 4.160 2.474 2.474 2.474 . 0 0 "[ ]" 1
817 1 41 GLN HB3 1 76 ASN HB3 . . 5.500 4.840 4.840 4.840 . 0 0 "[ ]" 1
818 1 41 GLN HB3 1 76 ASN HD21 . . 4.570 4.239 4.239 4.239 . 0 0 "[ ]" 1
819 1 41 GLN HB3 1 76 ASN HD22 . . 5.140 4.015 4.015 4.015 . 0 0 "[ ]" 1
820 1 41 GLN HE21 1 42 ASN H . . 5.040 4.328 4.328 4.328 . 0 0 "[ ]" 1
821 1 41 GLN HE21 1 43 ASN QD . . 5.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
822 1 41 GLN QG 1 42 ASN H . . 5.150 4.662 4.662 4.662 . 0 0 "[ ]" 1
823 1 41 GLN QG 1 43 ASN H . . 5.320 5.153 5.153 5.153 . 0 0 "[ ]" 1
824 1 41 GLN QG 1 43 ASN QD . . 4.630 3.382 3.382 3.382 . 0 0 "[ ]" 1
825 1 42 ASN H 1 42 ASN HA . . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1
826 1 42 ASN H 1 42 ASN QD . . 4.990 4.317 4.317 4.317 . 0 0 "[ ]" 1
827 1 42 ASN H 1 43 ASN H . . 3.170 2.679 2.679 2.679 . 0 0 "[ ]" 1
828 1 42 ASN H 1 43 ASN HA . . 5.310 5.374 5.374 5.374 0.064 1 0 "[ ]" 1
829 1 42 ASN H 1 43 ASN QD . . 5.500 3.761 3.761 3.761 . 0 0 "[ ]" 1
830 1 42 ASN HA 1 43 ASN H . . 3.410 2.786 2.786 2.786 . 0 0 "[ ]" 1
831 1 42 ASN HA 1 44 VAL H . . 5.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
832 1 42 ASN QB 1 43 ASN H . . 5.320 3.872 3.872 3.872 . 0 0 "[ ]" 1
833 1 42 ASN QB 1 75 VAL H . . 5.460 3.904 3.904 3.904 . 0 0 "[ ]" 1
834 1 42 ASN QB 1 75 VAL HA . . 3.890 2.626 2.626 2.626 . 0 0 "[ ]" 1
835 1 42 ASN QB 1 75 VAL MG1 . . 5.500 4.807 4.807 4.807 . 0 0 "[ ]" 1
836 1 42 ASN QB 1 76 ASN H . . 3.740 2.280 2.280 2.280 . 0 0 "[ ]" 1
837 1 42 ASN QB 1 76 ASN HB2 . . 4.120 2.347 2.347 2.347 . 0 0 "[ ]" 1
838 1 42 ASN QB 1 76 ASN HB3 . . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
839 1 42 ASN QB 1 76 ASN HD21 . . 5.500 4.880 4.880 4.880 . 0 0 "[ ]" 1
840 1 42 ASN QD 1 74 GLY H . . 5.500 5.118 5.118 5.118 . 0 0 "[ ]" 1
841 1 42 ASN QD 1 74 GLY QA . . 4.590 2.751 2.751 2.751 . 0 0 "[ ]" 1
842 1 42 ASN QD 1 75 VAL H . . 5.500 4.626 4.626 4.626 . 0 0 "[ ]" 1
843 1 42 ASN QD 1 75 VAL HA . . 4.500 4.575 4.575 4.575 0.075 1 0 "[ ]" 1
844 1 42 ASN QD 1 75 VAL MG1 . . 5.500 5.727 5.727 5.727 0.227 1 0 "[ ]" 1
845 1 42 ASN QD 1 76 ASN HB2 . . 5.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
846 1 43 ASN H 1 43 ASN HB2 . . 3.210 2.452 2.452 2.452 . 0 0 "[ ]" 1
847 1 43 ASN H 1 43 ASN HB3 . . 3.610 3.631 3.631 3.631 0.021 1 0 "[ ]" 1
848 1 43 ASN H 1 43 ASN QD . . 4.180 2.198 2.198 2.198 . 0 0 "[ ]" 1
849 1 43 ASN H 1 44 VAL H . . 3.870 4.184 4.184 4.184 0.314 1 0 "[ ]" 1
850 1 43 ASN H 1 44 VAL HA . . 5.020 5.006 5.006 5.006 . 0 0 "[ ]" 1
851 1 43 ASN HA 1 44 VAL H . . 2.740 2.283 2.283 2.283 . 0 0 "[ ]" 1
852 1 43 ASN HA 1 44 VAL HB . . 4.570 4.361 4.361 4.361 . 0 0 "[ ]" 1
853 1 43 ASN HA 1 45 LYS H . . 5.500 5.825 5.825 5.825 0.325 1 0 "[ ]" 1
854 1 43 ASN HA 1 75 VAL HA . . 5.500 5.014 5.014 5.014 . 0 0 "[ ]" 1
855 1 43 ASN HA 1 76 ASN HB3 . . 3.960 3.306 3.306 3.306 . 0 0 "[ ]" 1
856 1 43 ASN HA 1 77 ASN H . . 3.260 2.719 2.719 2.719 . 0 0 "[ ]" 1
857 1 43 ASN HA 1 77 ASN HB2 . . 4.380 4.515 4.515 4.515 0.135 1 0 "[ ]" 1
858 1 43 ASN HA 1 77 ASN HB3 . . 4.440 4.522 4.522 4.522 0.082 1 0 "[ ]" 1
859 1 43 ASN HA 1 77 ASN HD21 . . 5.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
860 1 43 ASN HA 1 77 ASN HD22 . . 5.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
861 1 43 ASN HA 1 78 VAL H . . 5.260 5.163 5.163 5.163 . 0 0 "[ ]" 1
862 1 43 ASN HA 1 79 GLU H . . 5.500 4.899 4.899 4.899 . 0 0 "[ ]" 1
863 1 43 ASN HB2 1 44 VAL H . . 4.540 4.472 4.472 4.472 . 0 0 "[ ]" 1
864 1 43 ASN HB2 1 77 ASN HD22 . . 5.500 3.822 3.822 3.822 . 0 0 "[ ]" 1
865 1 43 ASN HB3 1 44 VAL H . . 4.370 3.937 3.937 3.937 . 0 0 "[ ]" 1
866 1 43 ASN HB3 1 45 LYS H . . 5.500 5.408 5.408 5.408 . 0 0 "[ ]" 1
867 1 43 ASN HB3 1 79 GLU HB2 . . 5.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
868 1 43 ASN QD 1 76 ASN HD21 . . 5.410 2.628 2.628 2.628 . 0 0 "[ ]" 1
869 1 43 ASN QD 1 76 ASN HD22 . . 5.500 3.305 3.305 3.305 . 0 0 "[ ]" 1
870 1 43 ASN QD 1 77 ASN H . . 5.330 4.003 4.003 4.003 . 0 0 "[ ]" 1
871 1 43 ASN QD 1 77 ASN HD22 . . 4.840 3.598 3.598 3.598 . 0 0 "[ ]" 1
872 1 44 VAL H 1 44 VAL HB . . 3.140 2.115 2.115 2.115 . 0 0 "[ ]" 1
873 1 44 VAL H 1 44 VAL MG2 . . 3.480 2.506 2.506 2.506 . 0 0 "[ ]" 1
874 1 44 VAL H 1 45 LYS H . . 4.730 4.580 4.580 4.580 . 0 0 "[ ]" 1
875 1 44 VAL H 1 45 LYS HA . . 5.500 5.259 5.259 5.259 . 0 0 "[ ]" 1
876 1 44 VAL H 1 45 LYS HB2 . . 5.500 4.983 4.983 4.983 . 0 0 "[ ]" 1
877 1 44 VAL H 1 75 VAL HA . . 5.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
878 1 44 VAL H 1 75 VAL HB . . 5.280 5.333 5.333 5.333 0.053 1 0 "[ ]" 1
879 1 44 VAL H 1 76 ASN H . . 4.820 4.765 4.765 4.765 . 0 0 "[ ]" 1
880 1 44 VAL H 1 78 VAL H . . 5.380 5.144 5.144 5.144 . 0 0 "[ ]" 1
881 1 44 VAL H 1 78 VAL HA . . 3.480 3.740 3.740 3.740 0.260 1 0 "[ ]" 1
882 1 44 VAL H 1 79 GLU H . . 5.260 3.997 3.997 3.997 . 0 0 "[ ]" 1
883 1 44 VAL H 1 79 GLU QG . . 5.500 4.664 4.664 4.664 . 0 0 "[ ]" 1
884 1 44 VAL HA 1 44 VAL MG1 . . 3.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
885 1 44 VAL HA 1 44 VAL MG2 . . 3.470 2.313 2.313 2.313 . 0 0 "[ ]" 1
886 1 44 VAL HA 1 45 LYS H . . 2.620 2.304 2.304 2.304 . 0 0 "[ ]" 1
887 1 44 VAL HA 1 45 LYS HA . . 4.940 4.461 4.461 4.461 . 0 0 "[ ]" 1
888 1 44 VAL HA 1 45 LYS HB2 . . 4.770 4.472 4.472 4.472 . 0 0 "[ ]" 1
889 1 44 VAL HA 1 45 LYS HB3 . . 5.350 4.204 4.204 4.204 . 0 0 "[ ]" 1
890 1 44 VAL HA 1 79 GLU H . . 5.500 5.037 5.037 5.037 . 0 0 "[ ]" 1
891 1 44 VAL HB 1 45 LYS H . . 4.720 4.676 4.676 4.676 . 0 0 "[ ]" 1
892 1 44 VAL HB 1 76 ASN H . . 5.500 5.586 5.586 5.586 0.086 1 0 "[ ]" 1
893 1 44 VAL HB 1 77 ASN H . . 5.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
894 1 44 VAL HB 1 78 VAL HA . . 3.130 3.131 3.131 3.131 0.001 1 0 "[ ]" 1
895 1 44 VAL HB 1 79 GLU H . . 4.380 4.009 4.009 4.009 . 0 0 "[ ]" 1
896 1 44 VAL MG2 1 45 LYS H . . 4.440 4.133 4.133 4.133 . 0 0 "[ ]" 1
897 1 45 LYS H 1 45 LYS HB2 . . 3.590 3.180 3.180 3.180 . 0 0 "[ ]" 1
898 1 45 LYS H 1 45 LYS HB3 . . 3.520 2.400 2.400 2.400 . 0 0 "[ ]" 1
899 1 45 LYS H 1 45 LYS QD . . 5.280 4.674 4.674 4.674 . 0 0 "[ ]" 1
900 1 45 LYS H 1 45 LYS QE . . 5.500 5.645 5.645 5.645 0.145 1 0 "[ ]" 1
901 1 45 LYS H 1 45 LYS HG2 . . 4.820 4.175 4.175 4.175 . 0 0 "[ ]" 1
902 1 45 LYS H 1 45 LYS HG3 . . 4.930 4.496 4.496 4.496 . 0 0 "[ ]" 1
903 1 45 LYS H 1 46 VAL H . . 4.150 4.182 4.182 4.182 0.032 1 0 "[ ]" 1
904 1 45 LYS H 1 46 VAL MG2 . . 3.570 3.399 3.399 3.399 . 0 0 "[ ]" 1
905 1 45 LYS H 1 79 GLU H . . 5.500 4.964 4.964 4.964 . 0 0 "[ ]" 1
906 1 45 LYS H 1 79 GLU HB2 . . 3.950 4.379 4.379 4.379 0.429 1 0 "[ ]" 1
907 1 45 LYS H 1 79 GLU QG . . 5.150 5.440 5.440 5.440 0.290 1 0 "[ ]" 1
908 1 45 LYS HA 1 45 LYS QD . . 4.530 3.680 3.680 3.680 . 0 0 "[ ]" 1
909 1 45 LYS HA 1 45 LYS HG2 . . 3.940 3.621 3.621 3.621 . 0 0 "[ ]" 1
910 1 45 LYS HA 1 45 LYS HG3 . . 3.880 2.679 2.679 2.679 . 0 0 "[ ]" 1
911 1 45 LYS HA 1 46 VAL H . . 2.630 2.058 2.058 2.058 . 0 0 "[ ]" 1
912 1 45 LYS HA 1 46 VAL HB . . 4.940 4.500 4.500 4.500 . 0 0 "[ ]" 1
913 1 45 LYS HA 1 46 VAL MG2 . . 3.780 3.292 3.292 3.292 . 0 0 "[ ]" 1
914 1 45 LYS HA 1 79 GLU H . . 3.420 3.135 3.135 3.135 . 0 0 "[ ]" 1
915 1 45 LYS HA 1 79 GLU HB2 . . 3.390 2.153 2.153 2.153 . 0 0 "[ ]" 1
916 1 45 LYS HA 1 79 GLU HB3 . . 4.020 3.191 3.191 3.191 . 0 0 "[ ]" 1
917 1 45 LYS HA 1 79 GLU QG . . 4.940 3.985 3.985 3.985 . 0 0 "[ ]" 1
918 1 45 LYS HA 1 80 VAL HA . . 4.100 4.175 4.175 4.175 0.075 1 0 "[ ]" 1
919 1 45 LYS HA 1 80 VAL MG2 . . 5.500 4.726 4.726 4.726 . 0 0 "[ ]" 1
920 1 45 LYS HA 1 81 GLU H . . 5.500 4.712 4.712 4.712 . 0 0 "[ ]" 1
921 1 45 LYS HB2 1 45 LYS QE . . 5.040 3.836 3.836 3.836 . 0 0 "[ ]" 1
922 1 45 LYS HB2 1 46 VAL H . . 4.440 4.214 4.214 4.214 . 0 0 "[ ]" 1
923 1 45 LYS HB2 1 46 VAL MG2 . . 5.010 5.073 5.073 5.073 0.063 1 0 "[ ]" 1
924 1 45 LYS HB2 1 79 GLU H . . 5.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
925 1 45 LYS HB3 1 45 LYS QE . . 5.100 3.684 3.684 3.684 . 0 0 "[ ]" 1
926 1 45 LYS HB3 1 46 VAL H . . 4.660 4.447 4.447 4.447 . 0 0 "[ ]" 1
927 1 45 LYS HB3 1 46 VAL MG2 . . 5.380 4.819 4.819 4.819 . 0 0 "[ ]" 1
928 1 45 LYS QD 1 79 GLU HB2 . . 4.590 2.973 2.973 2.973 . 0 0 "[ ]" 1
929 1 45 LYS QE 1 46 VAL H . . 5.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
930 1 45 LYS QE 1 47 LEU MD1 . . 4.620 3.527 3.527 3.527 . 0 0 "[ ]" 1
931 1 45 LYS HG2 1 46 VAL H . . 4.240 4.191 4.191 4.191 . 0 0 "[ ]" 1
932 1 45 LYS HG2 1 79 GLU HB2 . . 4.390 4.444 4.444 4.444 0.054 1 0 "[ ]" 1
933 1 45 LYS HG3 1 46 VAL H . . 4.140 3.078 3.078 3.078 . 0 0 "[ ]" 1
934 1 45 LYS HG3 1 46 VAL HA . . 4.910 4.572 4.572 4.572 . 0 0 "[ ]" 1
935 1 45 LYS HG3 1 79 GLU H . . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
936 1 45 LYS HG3 1 81 GLU H . . 5.500 4.677 4.677 4.677 . 0 0 "[ ]" 1
937 1 46 VAL H 1 46 VAL HB . . 3.380 2.730 2.730 2.730 . 0 0 "[ ]" 1
938 1 46 VAL H 1 46 VAL MG2 . . 3.740 2.669 2.669 2.669 . 0 0 "[ ]" 1
939 1 46 VAL H 1 47 LEU H . . 5.220 4.318 4.318 4.318 . 0 0 "[ ]" 1
940 1 46 VAL H 1 79 GLU H . . 4.030 4.485 4.485 4.485 0.455 1 0 "[ ]" 1
941 1 46 VAL H 1 79 GLU HA . . 5.140 5.198 5.198 5.198 0.058 1 0 "[ ]" 1
942 1 46 VAL H 1 80 VAL HA . . 3.300 2.892 2.892 2.892 . 0 0 "[ ]" 1
943 1 46 VAL H 1 80 VAL MG2 . . 4.350 4.208 4.208 4.208 . 0 0 "[ ]" 1
944 1 46 VAL HA 1 46 VAL MG1 . . 3.320 2.221 2.221 2.221 . 0 0 "[ ]" 1
945 1 46 VAL HA 1 46 VAL MG2 . . 3.070 2.504 2.504 2.504 . 0 0 "[ ]" 1
946 1 46 VAL HA 1 47 LEU H . . 2.760 2.122 2.122 2.122 . 0 0 "[ ]" 1
947 1 46 VAL HA 1 47 LEU HA . . 5.290 4.519 4.519 4.519 . 0 0 "[ ]" 1
948 1 46 VAL HA 1 47 LEU HB2 . . 5.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
949 1 46 VAL HA 1 47 LEU HB3 . . 5.500 5.563 5.563 5.563 0.063 1 0 "[ ]" 1
950 1 46 VAL HA 1 47 LEU MD1 . . 5.500 4.068 4.068 4.068 . 0 0 "[ ]" 1
951 1 46 VAL HB 1 47 LEU H . . 5.190 4.148 4.148 4.148 . 0 0 "[ ]" 1
952 1 46 VAL MG1 1 47 LEU H . . 3.560 2.656 2.656 2.656 . 0 0 "[ ]" 1
953 1 46 VAL MG1 1 81 GLU H . . 5.150 4.416 4.416 4.416 . 0 0 "[ ]" 1
954 1 46 VAL MG2 1 47 LEU H . . 4.190 4.180 4.180 4.180 . 0 0 "[ ]" 1
955 1 47 LEU H 1 47 LEU HB2 . . 3.690 2.259 2.259 2.259 . 0 0 "[ ]" 1
956 1 47 LEU H 1 47 LEU HB3 . . 3.600 3.463 3.463 3.463 . 0 0 "[ ]" 1
957 1 47 LEU H 1 47 LEU MD1 . . 4.210 2.989 2.989 2.989 . 0 0 "[ ]" 1
958 1 47 LEU H 1 47 LEU HG . . 4.850 4.347 4.347 4.347 . 0 0 "[ ]" 1
959 1 47 LEU H 1 48 MET H . . 5.030 4.163 4.163 4.163 . 0 0 "[ ]" 1
960 1 47 LEU H 1 81 GLU H . . 5.500 4.938 4.938 4.938 . 0 0 "[ ]" 1
961 1 47 LEU HA 1 47 LEU MD1 . . 3.450 2.419 2.419 2.419 . 0 0 "[ ]" 1
962 1 47 LEU HA 1 47 LEU MD2 . . 4.060 3.707 3.707 3.707 . 0 0 "[ ]" 1
963 1 47 LEU HA 1 48 MET H . . 2.680 2.130 2.130 2.130 . 0 0 "[ ]" 1
964 1 47 LEU HA 1 48 MET QG . . 5.500 5.625 5.625 5.625 0.125 1 0 "[ ]" 1
965 1 47 LEU HA 1 81 GLU H . . 4.290 3.693 3.693 3.693 . 0 0 "[ ]" 1
966 1 47 LEU HA 1 81 GLU HB2 . . 4.210 3.618 3.618 3.618 . 0 0 "[ ]" 1
967 1 47 LEU HA 1 81 GLU HB3 . . 4.170 2.014 2.014 2.014 . 0 0 "[ ]" 1
968 1 47 LEU HB2 1 48 MET H . . 4.580 4.643 4.643 4.643 0.063 1 0 "[ ]" 1
969 1 47 LEU HB3 1 47 LEU MD1 . . 3.600 3.270 3.270 3.270 . 0 0 "[ ]" 1
970 1 47 LEU MD1 1 48 MET H . . 3.980 4.228 4.228 4.228 0.248 1 0 "[ ]" 1
971 1 47 LEU MD1 1 81 GLU H . . 4.990 4.025 4.025 4.025 . 0 0 "[ ]" 1
972 1 47 LEU MD1 1 81 GLU HB2 . . 3.720 2.806 2.806 2.806 . 0 0 "[ ]" 1
973 1 47 LEU MD1 1 81 GLU HB3 . . 4.060 2.461 2.461 2.461 . 0 0 "[ ]" 1
974 1 47 LEU HG 1 48 MET H . . 4.920 4.100 4.100 4.100 . 0 0 "[ ]" 1
975 1 48 MET H 1 48 MET HB2 . . 4.150 2.870 2.870 2.870 . 0 0 "[ ]" 1
976 1 48 MET H 1 48 MET HB3 . . 3.910 2.983 2.983 2.983 . 0 0 "[ ]" 1
977 1 48 MET H 1 48 MET QG . . 4.580 4.103 4.103 4.103 . 0 0 "[ ]" 1
978 1 48 MET H 1 49 THR H . . 5.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
979 1 48 MET H 1 49 THR HA . . 5.500 4.783 4.783 4.783 . 0 0 "[ ]" 1
980 1 48 MET H 1 81 GLU HB3 . . 5.420 2.963 2.963 2.963 . 0 0 "[ ]" 1
981 1 48 MET H 1 82 LEU HA . . 3.640 3.741 3.741 3.741 0.101 1 0 "[ ]" 1
982 1 48 MET H 1 82 LEU QD . . 5.120 4.649 4.649 4.649 . 0 0 "[ ]" 1
983 1 48 MET H 1 83 THR H . . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
984 1 48 MET HA 1 48 MET ME . . 4.680 4.411 4.411 4.411 . 0 0 "[ ]" 1
985 1 48 MET HA 1 49 THR H . . 2.830 2.475 2.475 2.475 . 0 0 "[ ]" 1
986 1 48 MET HA 1 49 THR HA . . 5.500 4.594 4.594 4.594 . 0 0 "[ ]" 1
987 1 48 MET HB2 1 49 THR H . . 3.730 3.810 3.810 3.810 0.080 1 0 "[ ]" 1
988 1 48 MET HB2 1 49 THR MG . . 5.500 5.579 5.579 5.579 0.079 1 0 "[ ]" 1
989 1 48 MET HB3 1 49 THR H . . 3.880 2.930 2.930 2.930 . 0 0 "[ ]" 1
990 1 48 MET HB3 1 82 LEU HA . . 4.900 3.969 3.969 3.969 . 0 0 "[ ]" 1
991 1 48 MET HB3 1 82 LEU QD . . 3.920 3.581 3.581 3.581 . 0 0 "[ ]" 1
992 1 48 MET ME 1 48 MET QG . . 3.550 2.207 2.207 2.207 . 0 0 "[ ]" 1
993 1 48 MET ME 1 49 THR H . . 4.890 3.188 3.188 3.188 . 0 0 "[ ]" 1
994 1 48 MET QG 1 49 THR H . . 4.800 1.675 1.675 1.675 . 0 0 "[ ]" 1
995 1 48 MET QG 1 82 LEU HA . . 5.500 5.309 5.309 5.309 . 0 0 "[ ]" 1
996 1 49 THR H 1 49 THR HB . . 3.810 3.465 3.465 3.465 . 0 0 "[ ]" 1
997 1 49 THR H 1 49 THR MG . . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
998 1 49 THR H 1 82 LEU HA . . 5.500 4.719 4.719 4.719 . 0 0 "[ ]" 1
999 1 49 THR H 1 83 THR H . . 5.470 4.904 4.904 4.904 . 0 0 "[ ]" 1
1000 1 49 THR HA 1 50 MET H . . 3.460 2.841 2.841 2.841 . 0 0 "[ ]" 1
1001 1 49 THR HA 1 50 MET HA . . 5.200 4.618 4.618 4.618 . 0 0 "[ ]" 1
1002 1 49 THR HA 1 82 LEU HA . . 4.200 2.862 2.862 2.862 . 0 0 "[ ]" 1
1003 1 49 THR HA 1 82 LEU QD . . 3.760 2.047 2.047 2.047 . 0 0 "[ ]" 1
1004 1 49 THR HA 1 82 LEU HG . . 4.840 3.625 3.625 3.625 . 0 0 "[ ]" 1
1005 1 49 THR HB 1 50 MET H . . 4.180 3.646 3.646 3.646 . 0 0 "[ ]" 1
1006 1 49 THR HB 1 83 THR H . . 5.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
1007 1 49 THR HB 1 83 THR MG . . 4.080 4.068 4.068 4.068 . 0 0 "[ ]" 1
1008 1 49 THR MG 1 50 MET H . . 3.960 2.687 2.687 2.687 . 0 0 "[ ]" 1
1009 1 49 THR MG 1 50 MET HA . . 5.180 3.936 3.936 3.936 . 0 0 "[ ]" 1
1010 1 49 THR MG 1 88 TRP H . . 4.630 4.636 4.636 4.636 0.006 1 0 "[ ]" 1
1011 1 49 THR MG 1 88 TRP HA . . 4.130 3.715 3.715 3.715 . 0 0 "[ ]" 1
1012 1 49 THR MG 1 88 TRP HB2 . . 4.320 2.783 2.783 2.783 . 0 0 "[ ]" 1
1013 1 49 THR MG 1 88 TRP HB3 . . 4.060 4.125 4.125 4.125 0.065 1 0 "[ ]" 1
1014 1 49 THR MG 1 88 TRP HD1 . . 4.060 3.937 3.937 3.937 . 0 0 "[ ]" 1
1015 1 49 THR MG 1 88 TRP HE1 . . 5.500 5.361 5.361 5.361 . 0 0 "[ ]" 1
1016 1 50 MET H 1 82 LEU QD . . 5.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
1017 1 50 MET H 1 84 PHE HA . . 4.480 4.539 4.539 4.539 0.059 1 0 "[ ]" 1
1018 1 50 MET H 1 84 PHE QD . . 5.400 4.532 4.532 4.532 . 0 0 "[ ]" 1
1019 1 50 MET HA 1 50 MET ME . . 3.890 3.481 3.481 3.481 . 0 0 "[ ]" 1
1020 1 50 MET HA 1 50 MET HG2 . . 3.600 2.687 2.687 2.687 . 0 0 "[ ]" 1
1021 1 50 MET HA 1 51 THR H . . 3.320 2.448 2.448 2.448 . 0 0 "[ ]" 1
1022 1 50 MET HA 1 51 THR HA . . 5.120 4.462 4.462 4.462 . 0 0 "[ ]" 1
1023 1 50 MET HB2 1 51 THR H . . 4.620 4.011 4.011 4.011 . 0 0 "[ ]" 1
1024 1 50 MET HB2 1 51 THR MG . . 5.500 4.744 4.744 4.744 . 0 0 "[ ]" 1
1025 1 50 MET HB2 1 55 CYS HB2 . . 4.890 4.830 4.830 4.830 . 0 0 "[ ]" 1
1026 1 50 MET HB2 1 82 LEU QD . . 5.080 3.590 3.590 3.590 . 0 0 "[ ]" 1
1027 1 50 MET HB2 1 84 PHE QD . . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
1028 1 50 MET HB2 1 84 PHE QE . . 3.770 2.835 2.835 2.835 . 0 0 "[ ]" 1
1029 1 50 MET HB2 1 84 PHE HZ . . 4.860 2.859 2.859 2.859 . 0 0 "[ ]" 1
1030 1 50 MET HB3 1 51 THR H . . 4.370 2.701 2.701 2.701 . 0 0 "[ ]" 1
1031 1 50 MET HB3 1 51 THR HA . . 5.500 4.704 4.704 4.704 . 0 0 "[ ]" 1
1032 1 50 MET HB3 1 55 CYS HB2 . . 4.960 4.072 4.072 4.072 . 0 0 "[ ]" 1
1033 1 50 MET HB3 1 84 PHE QE . . 4.490 4.027 4.027 4.027 . 0 0 "[ ]" 1
1034 1 50 MET ME 1 50 MET HG3 . . 3.780 2.733 2.733 2.733 . 0 0 "[ ]" 1
1035 1 50 MET ME 1 58 ALA HA . . 3.730 3.780 3.780 3.780 0.050 1 0 "[ ]" 1
1036 1 50 MET ME 1 58 ALA MB . . 4.460 3.949 3.949 3.949 . 0 0 "[ ]" 1
1037 1 50 MET ME 1 61 ILE HB . . 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 1
1038 1 50 MET ME 1 62 LEU H . . 4.710 3.598 3.598 3.598 . 0 0 "[ ]" 1
1039 1 50 MET ME 1 62 LEU HA . . 4.250 3.514 3.514 3.514 . 0 0 "[ ]" 1
1040 1 50 MET ME 1 62 LEU MD2 . . 3.020 1.969 1.969 1.969 . 0 0 "[ ]" 1
1041 1 50 MET ME 1 84 PHE QE . . 5.500 5.556 5.556 5.556 0.056 1 0 "[ ]" 1
1042 1 50 MET HG3 1 51 THR H . . 5.500 4.857 4.857 4.857 . 0 0 "[ ]" 1
1043 1 50 MET HG3 1 55 CYS HB2 . . 4.220 3.505 3.505 3.505 . 0 0 "[ ]" 1
1044 1 50 MET HG3 1 58 ALA HA . . 4.600 4.698 4.698 4.698 0.098 1 0 "[ ]" 1
1045 1 50 MET HG3 1 58 ALA MB . . 3.810 3.794 3.794 3.794 . 0 0 "[ ]" 1
1046 1 50 MET HG3 1 82 LEU QD . . 4.300 3.389 3.389 3.389 . 0 0 "[ ]" 1
1047 1 50 MET HG3 1 84 PHE QE . . 4.790 4.214 4.214 4.214 . 0 0 "[ ]" 1
1048 1 50 MET HG3 1 84 PHE HZ . . 4.680 3.222 3.222 3.222 . 0 0 "[ ]" 1
1049 1 51 THR H 1 51 THR MG . . 3.730 2.019 2.019 2.019 . 0 0 "[ ]" 1
1050 1 51 THR HA 1 51 THR MG . . 3.420 3.291 3.291 3.291 . 0 0 "[ ]" 1
1051 1 51 THR HA 1 52 THR MG . . 4.690 3.725 3.725 3.725 . 0 0 "[ ]" 1
1052 1 51 THR HA 1 87 PRO HA . . 4.950 6.448 6.448 6.448 1.498 1 1 [+] 1
1053 1 51 THR HA 1 88 TRP H . . 5.500 4.695 4.695 4.695 . 0 0 "[ ]" 1
1054 1 51 THR HA 1 88 TRP HE3 . . 4.290 2.496 2.496 2.496 . 0 0 "[ ]" 1
1055 1 51 THR HB 1 52 THR H . . 4.770 4.059 4.059 4.059 . 0 0 "[ ]" 1
1056 1 51 THR HB 1 52 THR MG . . 3.700 3.834 3.834 3.834 0.134 1 0 "[ ]" 1
1057 1 51 THR HB 1 88 TRP HE3 . . 5.030 3.470 3.470 3.470 . 0 0 "[ ]" 1
1058 1 51 THR MG 1 52 THR H . . 4.930 2.268 2.268 2.268 . 0 0 "[ ]" 1
1059 1 51 THR MG 1 52 THR HB . . 5.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
1060 1 51 THR MG 1 52 THR MG . . 3.980 2.336 2.336 2.336 . 0 0 "[ ]" 1
1061 1 51 THR MG 1 54 MET ME . . 4.550 3.765 3.765 3.765 . 0 0 "[ ]" 1
1062 1 51 THR MG 1 88 TRP HE3 . . 5.500 4.587 4.587 4.587 . 0 0 "[ ]" 1
1063 1 52 THR H 1 52 THR MG . . 3.910 3.032 3.032 3.032 . 0 0 "[ ]" 1
1064 1 52 THR H 1 53 PRO HD2 . . 5.180 4.903 4.903 4.903 . 0 0 "[ ]" 1
1065 1 52 THR HA 1 52 THR MG . . 3.660 2.478 2.478 2.478 . 0 0 "[ ]" 1
1066 1 52 THR HA 1 53 PRO HD2 . . 3.450 2.443 2.443 2.443 . 0 0 "[ ]" 1
1067 1 52 THR HA 1 53 PRO HD3 . . 3.510 2.472 2.472 2.472 . 0 0 "[ ]" 1
1068 1 52 THR HA 1 54 MET ME . . 5.500 4.918 4.918 4.918 . 0 0 "[ ]" 1
1069 1 52 THR HB 1 53 PRO HD2 . . 3.260 2.495 2.495 2.495 . 0 0 "[ ]" 1
1070 1 52 THR HB 1 53 PRO HD3 . . 3.780 3.845 3.845 3.845 0.065 1 0 "[ ]" 1
1071 1 52 THR HB 1 53 PRO HG3 . . 5.150 5.176 5.176 5.176 0.026 1 0 "[ ]" 1
1072 1 52 THR HB 1 54 MET H . . 3.760 2.544 2.544 2.544 . 0 0 "[ ]" 1
1073 1 52 THR HB 1 54 MET ME . . 4.010 2.987 2.987 2.987 . 0 0 "[ ]" 1
1074 1 52 THR MG 1 53 PRO HD2 . . 4.730 3.646 3.646 3.646 . 0 0 "[ ]" 1
1075 1 52 THR MG 1 53 PRO HD3 . . 5.500 4.386 4.386 4.386 . 0 0 "[ ]" 1
1076 1 52 THR MG 1 54 MET ME . . 4.670 2.055 2.055 2.055 . 0 0 "[ ]" 1
1077 1 52 THR MG 1 87 PRO QB . . 4.530 6.380 6.380 6.380 1.850 1 1 [+] 1
1078 1 52 THR MG 1 87 PRO QG . . 4.850 8.067 8.067 8.067 3.217 1 1 [+] 1
1079 1 53 PRO HA 1 84 PHE QD . . 4.710 4.427 4.427 4.427 . 0 0 "[ ]" 1
1080 1 53 PRO HA 1 84 PHE QE . . 3.430 2.534 2.534 2.534 . 0 0 "[ ]" 1
1081 1 53 PRO HA 1 84 PHE HZ . . 3.910 2.558 2.558 2.558 . 0 0 "[ ]" 1
1082 1 53 PRO QB 1 84 PHE QD . . 4.850 3.403 3.403 3.403 . 0 0 "[ ]" 1
1083 1 53 PRO QB 1 84 PHE QE . . 4.210 2.798 2.798 2.798 . 0 0 "[ ]" 1
1084 1 53 PRO QB 1 84 PHE HZ . . 5.200 3.607 3.607 3.607 . 0 0 "[ ]" 1
1085 1 53 PRO HD2 1 54 MET H . . 4.770 3.031 3.031 3.031 . 0 0 "[ ]" 1
1086 1 53 PRO HD2 1 54 MET ME . . 5.450 5.028 5.028 5.028 . 0 0 "[ ]" 1
1087 1 53 PRO HD2 1 84 PHE QD . . 5.500 5.346 5.346 5.346 . 0 0 "[ ]" 1
1088 1 53 PRO HD3 1 54 MET H . . 5.380 4.128 4.128 4.128 . 0 0 "[ ]" 1
1089 1 53 PRO HD3 1 84 PHE QD . . 5.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
1090 1 53 PRO HG3 1 84 PHE QD . . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
1091 1 54 MET H 1 54 MET ME . . 4.700 4.154 4.154 4.154 . 0 0 "[ ]" 1
1092 1 54 MET H 1 84 PHE QE . . 4.940 5.111 5.111 5.111 0.171 1 0 "[ ]" 1
1093 1 54 MET HB2 1 55 CYS H . . 5.220 4.469 4.469 4.469 . 0 0 "[ ]" 1
1094 1 55 CYS H 1 55 CYS HB2 . . 3.980 2.364 2.364 2.364 . 0 0 "[ ]" 1
1095 1 55 CYS H 1 55 CYS HB3 . . 3.950 3.556 3.556 3.556 . 0 0 "[ ]" 1
1096 1 55 CYS H 1 56 PRO HD3 . . 5.500 4.802 4.802 4.802 . 0 0 "[ ]" 1
1097 1 55 CYS HA 1 56 PRO HD2 . . 3.390 2.899 2.899 2.899 . 0 0 "[ ]" 1
1098 1 55 CYS HA 1 56 PRO HD3 . . 3.260 2.084 2.084 2.084 . 0 0 "[ ]" 1
1099 1 55 CYS HB2 1 58 ALA MB . . 4.070 2.488 2.488 2.488 . 0 0 "[ ]" 1
1100 1 55 CYS HB3 1 56 PRO HA . . 4.940 5.026 5.026 5.026 0.086 1 0 "[ ]" 1
1101 1 55 CYS HB3 1 56 PRO HD2 . . 4.860 2.275 2.275 2.275 . 0 0 "[ ]" 1
1102 1 55 CYS HB3 1 56 PRO HD3 . . 5.220 3.175 3.175 3.175 . 0 0 "[ ]" 1
1103 1 55 CYS HB3 1 58 ALA MB . . 5.140 3.210 3.210 3.210 . 0 0 "[ ]" 1
1104 1 56 PRO HA 1 57 LEU HG . . 5.040 4.961 4.961 4.961 . 0 0 "[ ]" 1
1105 1 56 PRO HA 1 58 ALA H . . 4.560 4.296 4.296 4.296 . 0 0 "[ ]" 1
1106 1 56 PRO HA 1 58 ALA MB . . 5.130 5.089 5.089 5.089 . 0 0 "[ ]" 1
1107 1 56 PRO HB2 1 57 LEU H . . 4.480 2.828 2.828 2.828 . 0 0 "[ ]" 1
1108 1 56 PRO HB3 1 57 LEU MD2 . . 5.500 5.583 5.583 5.583 0.083 1 0 "[ ]" 1
1109 1 56 PRO HD2 1 57 LEU H . . 4.250 2.716 2.716 2.716 . 0 0 "[ ]" 1
1110 1 56 PRO HD2 1 57 LEU HG . . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
1111 1 56 PRO HD2 1 61 ILE MD . . 4.910 2.284 2.284 2.284 . 0 0 "[ ]" 1
1112 1 56 PRO HD3 1 57 LEU H . . 4.490 3.796 3.796 3.796 . 0 0 "[ ]" 1
1113 1 56 PRO HG2 1 57 LEU H . . 4.590 1.839 1.839 1.839 . 0 0 "[ ]" 1
1114 1 56 PRO HG2 1 57 LEU MD2 . . 5.120 4.055 4.055 4.055 . 0 0 "[ ]" 1
1115 1 56 PRO HG2 1 57 LEU HG . . 4.280 2.562 2.562 2.562 . 0 0 "[ ]" 1
1116 1 56 PRO HG3 1 57 LEU H . . 4.720 3.477 3.477 3.477 . 0 0 "[ ]" 1
1117 1 56 PRO HG3 1 57 LEU MD2 . . 5.160 5.130 5.130 5.130 . 0 0 "[ ]" 1
1118 1 57 LEU H 1 57 LEU HB2 . . 4.140 3.700 3.700 3.700 . 0 0 "[ ]" 1
1119 1 57 LEU H 1 57 LEU HB3 . . 3.720 3.463 3.463 3.463 . 0 0 "[ ]" 1
1120 1 57 LEU H 1 57 LEU MD2 . . 4.360 3.979 3.979 3.979 . 0 0 "[ ]" 1
1121 1 57 LEU H 1 57 LEU HG . . 4.200 2.428 2.428 2.428 . 0 0 "[ ]" 1
1122 1 57 LEU H 1 58 ALA H . . 5.010 2.931 2.931 2.931 . 0 0 "[ ]" 1
1123 1 57 LEU H 1 58 ALA HA . . 4.680 4.160 4.160 4.160 . 0 0 "[ ]" 1
1124 1 57 LEU H 1 58 ALA MB . . 5.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
1125 1 57 LEU H 1 61 ILE MD . . 5.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
1126 1 57 LEU HA 1 60 MET H . . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
1127 1 57 LEU HA 1 60 MET HB2 . . 4.700 4.318 4.318 4.318 . 0 0 "[ ]" 1
1128 1 57 LEU HB2 1 60 MET HB2 . . 4.330 2.324 2.324 2.324 . 0 0 "[ ]" 1
1129 1 57 LEU HB2 1 61 ILE H . . 4.190 4.116 4.116 4.116 . 0 0 "[ ]" 1
1130 1 57 LEU HB3 1 58 ALA H . . 5.500 4.514 4.514 4.514 . 0 0 "[ ]" 1
1131 1 57 LEU HB3 1 60 MET QG . . 5.500 5.178 5.178 5.178 . 0 0 "[ ]" 1
1132 1 57 LEU MD1 1 60 MET HB2 . . 4.700 3.156 3.156 3.156 . 0 0 "[ ]" 1
1133 1 57 LEU MD2 1 60 MET HB2 . . 4.670 3.469 3.469 3.469 . 0 0 "[ ]" 1
1134 1 57 LEU MD2 1 60 MET HB3 . . 4.570 3.439 3.439 3.439 . 0 0 "[ ]" 1
1135 1 57 LEU MD2 1 60 MET QG . . 5.080 3.477 3.477 3.477 . 0 0 "[ ]" 1
1136 1 57 LEU MD2 1 61 ILE H . . 5.500 5.061 5.061 5.061 . 0 0 "[ ]" 1
1137 1 58 ALA H 1 58 ALA MB . . 3.310 2.233 2.233 2.233 . 0 0 "[ ]" 1
1138 1 58 ALA HA 1 61 ILE H . . 4.200 3.531 3.531 3.531 . 0 0 "[ ]" 1
1139 1 58 ALA HA 1 61 ILE HB . . 3.330 2.716 2.716 2.716 . 0 0 "[ ]" 1
1140 1 58 ALA HA 1 61 ILE MD . . 3.720 2.330 2.330 2.330 . 0 0 "[ ]" 1
1141 1 58 ALA HA 1 61 ILE MG . . 5.240 4.104 4.104 4.104 . 0 0 "[ ]" 1
1142 1 58 ALA HA 1 62 LEU H . . 4.630 3.790 3.790 3.790 . 0 0 "[ ]" 1
1143 1 58 ALA HA 1 62 LEU MD2 . . 5.500 4.668 4.668 4.668 . 0 0 "[ ]" 1
1144 1 58 ALA MB 1 59 GLY H . . 3.910 2.347 2.347 2.347 . 0 0 "[ ]" 1
1145 1 58 ALA MB 1 59 GLY HA2 . . 4.550 4.047 4.047 4.047 . 0 0 "[ ]" 1
1146 1 58 ALA MB 1 62 LEU MD2 . . 3.790 3.932 3.932 3.932 0.142 1 0 "[ ]" 1
1147 1 59 GLY H 1 60 MET H . . 5.080 2.821 2.821 2.821 . 0 0 "[ ]" 1
1148 1 59 GLY HA2 1 62 LEU H . . 5.060 5.059 5.059 5.059 . 0 0 "[ ]" 1
1149 1 59 GLY HA2 1 62 LEU QB . . 3.950 4.426 4.426 4.426 0.476 1 0 "[ ]" 1
1150 1 59 GLY HA2 1 62 LEU MD1 . . 4.380 4.138 4.138 4.138 . 0 0 "[ ]" 1
1151 1 59 GLY HA3 1 62 LEU H . . 4.990 3.795 3.795 3.795 . 0 0 "[ ]" 1
1152 1 59 GLY HA3 1 62 LEU QB . . 4.010 2.802 2.802 2.802 . 0 0 "[ ]" 1
1153 1 59 GLY HA3 1 62 LEU MD1 . . 4.480 2.665 2.665 2.665 . 0 0 "[ ]" 1
1154 1 60 MET H 1 60 MET HB2 . . 3.400 2.230 2.230 2.230 . 0 0 "[ ]" 1
1155 1 60 MET H 1 60 MET HB3 . . 3.470 3.121 3.121 3.121 . 0 0 "[ ]" 1
1156 1 60 MET H 1 60 MET QG . . 4.740 4.066 4.066 4.066 . 0 0 "[ ]" 1
1157 1 60 MET H 1 61 ILE H . . 4.160 2.298 2.298 2.298 . 0 0 "[ ]" 1
1158 1 60 MET H 1 62 LEU H . . 5.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
1159 1 60 MET H 1 63 SER H . . 4.660 4.432 4.432 4.432 . 0 0 "[ ]" 1
1160 1 60 MET HA 1 60 MET HB2 . . 2.870 2.826 2.826 2.826 . 0 0 "[ ]" 1
1161 1 60 MET HA 1 60 MET QG . . 3.540 2.468 2.468 2.468 . 0 0 "[ ]" 1
1162 1 60 MET HA 1 61 ILE HA . . 5.200 4.848 4.848 4.848 . 0 0 "[ ]" 1
1163 1 60 MET HA 1 62 LEU H . . 5.160 4.610 4.610 4.610 . 0 0 "[ ]" 1
1164 1 60 MET HA 1 63 SER QB . . 3.400 2.435 2.435 2.435 . 0 0 "[ ]" 1
1165 1 60 MET HA 1 64 ASP H . . 4.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
1166 1 60 MET HB2 1 61 ILE H . . 3.990 3.351 3.351 3.351 . 0 0 "[ ]" 1
1167 1 60 MET HB2 1 63 SER QB . . 5.500 4.952 4.952 4.952 . 0 0 "[ ]" 1
1168 1 60 MET HB3 1 61 ILE H . . 3.980 2.901 2.901 2.901 . 0 0 "[ ]" 1
1169 1 60 MET HB3 1 63 SER QB . . 5.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
1170 1 60 MET QG 1 61 ILE H . . 5.500 4.432 4.432 4.432 . 0 0 "[ ]" 1
1171 1 60 MET QG 1 63 SER QB . . 5.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
1172 1 61 ILE H 1 61 ILE HB . . 3.530 2.515 2.515 2.515 . 0 0 "[ ]" 1
1173 1 61 ILE H 1 61 ILE MD . . 4.660 3.385 3.385 3.385 . 0 0 "[ ]" 1
1174 1 61 ILE H 1 61 ILE HG12 . . 4.050 3.563 3.563 3.563 . 0 0 "[ ]" 1
1175 1 61 ILE H 1 61 ILE HG13 . . 3.660 2.149 2.149 2.149 . 0 0 "[ ]" 1
1176 1 61 ILE H 1 62 LEU H . . 5.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
1177 1 61 ILE H 1 62 LEU MD1 . . 5.500 5.230 5.230 5.230 . 0 0 "[ ]" 1
1178 1 61 ILE HA 1 61 ILE MD . . 4.370 3.966 3.966 3.966 . 0 0 "[ ]" 1
1179 1 61 ILE HA 1 61 ILE HG12 . . 3.250 2.738 2.738 2.738 . 0 0 "[ ]" 1
1180 1 61 ILE HA 1 61 ILE HG13 . . 3.490 2.936 2.936 2.936 . 0 0 "[ ]" 1
1181 1 61 ILE HA 1 61 ILE MG . . 3.290 2.413 2.413 2.413 . 0 0 "[ ]" 1
1182 1 61 ILE HA 1 64 ASP H . . 4.040 3.533 3.533 3.533 . 0 0 "[ ]" 1
1183 1 61 ILE HA 1 64 ASP QB . . 3.670 3.150 3.150 3.150 . 0 0 "[ ]" 1
1184 1 61 ILE HA 1 65 ALA H . . 4.480 4.295 4.295 4.295 . 0 0 "[ ]" 1
1185 1 61 ILE HB 1 61 ILE MD . . 3.520 2.353 2.353 2.353 . 0 0 "[ ]" 1
1186 1 61 ILE HB 1 62 LEU H . . 3.730 2.459 2.459 2.459 . 0 0 "[ ]" 1
1187 1 61 ILE MG 1 62 LEU H . . 4.630 3.301 3.301 3.301 . 0 0 "[ ]" 1
1188 1 61 ILE MG 1 64 ASP QB . . 5.160 4.124 4.124 4.124 . 0 0 "[ ]" 1
1189 1 61 ILE MG 1 65 ALA H . . 5.490 4.187 4.187 4.187 . 0 0 "[ ]" 1
1190 1 61 ILE MG 1 65 ALA HA . . 5.500 5.371 5.371 5.371 . 0 0 "[ ]" 1
1191 1 61 ILE MG 1 65 ALA MB . . 5.180 3.580 3.580 3.580 . 0 0 "[ ]" 1
1192 1 62 LEU H 1 62 LEU QB . . 3.390 2.414 2.414 2.414 . 0 0 "[ ]" 1
1193 1 62 LEU H 1 62 LEU MD1 . . 4.080 3.483 3.483 3.483 . 0 0 "[ ]" 1
1194 1 62 LEU H 1 62 LEU MD2 . . 4.280 3.454 3.454 3.454 . 0 0 "[ ]" 1
1195 1 62 LEU H 1 62 LEU HG . . 3.790 2.229 2.229 2.229 . 0 0 "[ ]" 1
1196 1 62 LEU H 1 63 SER H . . 4.790 2.722 2.722 2.722 . 0 0 "[ ]" 1
1197 1 62 LEU HA 1 62 LEU MD1 . . 3.690 3.948 3.948 3.948 0.258 1 0 "[ ]" 1
1198 1 62 LEU HA 1 62 LEU MD2 . . 3.190 2.264 2.264 2.264 . 0 0 "[ ]" 1
1199 1 62 LEU HA 1 62 LEU HG . . 3.190 3.098 3.098 3.098 . 0 0 "[ ]" 1
1200 1 62 LEU HA 1 65 ALA H . . 4.120 3.275 3.275 3.275 . 0 0 "[ ]" 1
1201 1 62 LEU HA 1 65 ALA MB . . 3.370 2.494 2.494 2.494 . 0 0 "[ ]" 1
1202 1 62 LEU QB 1 63 SER H . . 3.860 2.791 2.791 2.791 . 0 0 "[ ]" 1
1203 1 62 LEU QB 1 63 SER HA . . 5.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
1204 1 62 LEU MD2 1 63 SER H . . 5.500 4.903 4.903 4.903 . 0 0 "[ ]" 1
1205 1 62 LEU MD2 1 65 ALA H . . 5.380 5.034 5.034 5.034 . 0 0 "[ ]" 1
1206 1 63 SER H 1 63 SER QB . . 2.890 2.223 2.223 2.223 . 0 0 "[ ]" 1
1207 1 63 SER HA 1 65 ALA H . . 4.960 4.354 4.354 4.354 . 0 0 "[ ]" 1
1208 1 63 SER HA 1 66 GLU H . . 5.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
1209 1 63 SER HA 1 66 GLU HB2 . . 3.710 3.079 3.079 3.079 . 0 0 "[ ]" 1
1210 1 63 SER HA 1 66 GLU HB3 . . 4.020 3.129 3.129 3.129 . 0 0 "[ ]" 1
1211 1 63 SER HA 1 67 GLU H . . 5.110 4.338 4.338 4.338 . 0 0 "[ ]" 1
1212 1 63 SER QB 1 64 ASP H . . 3.350 2.668 2.668 2.668 . 0 0 "[ ]" 1
1213 1 63 SER QB 1 64 ASP QB . . 3.900 3.923 3.923 3.923 0.023 1 0 "[ ]" 1
1214 1 64 ASP H 1 64 ASP QB . . 3.460 2.123 2.123 2.123 . 0 0 "[ ]" 1
1215 1 64 ASP H 1 65 ALA H . . 4.560 2.635 2.635 2.635 . 0 0 "[ ]" 1
1216 1 64 ASP H 1 65 ALA MB . . 5.170 4.342 4.342 4.342 . 0 0 "[ ]" 1
1217 1 64 ASP HA 1 67 GLU H . . 4.420 2.757 2.757 2.757 . 0 0 "[ ]" 1
1218 1 64 ASP HA 1 67 GLU HA . . 5.200 4.516 4.516 4.516 . 0 0 "[ ]" 1
1219 1 64 ASP HA 1 67 GLU HB3 . . 3.100 2.521 2.521 2.521 . 0 0 "[ ]" 1
1220 1 64 ASP HA 1 67 GLU QG . . 4.200 3.680 3.680 3.680 . 0 0 "[ ]" 1
1221 1 64 ASP HA 1 68 ALA H . . 4.110 4.284 4.284 4.284 0.174 1 0 "[ ]" 1
1222 1 64 ASP HA 1 68 ALA MB . . 5.250 5.335 5.335 5.335 0.085 1 0 "[ ]" 1
1223 1 64 ASP QB 1 65 ALA H . . 3.920 2.983 2.983 2.983 . 0 0 "[ ]" 1
1224 1 64 ASP QB 1 65 ALA HA . . 4.370 4.168 4.168 4.168 . 0 0 "[ ]" 1
1225 1 64 ASP QB 1 67 GLU HB3 . . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
1226 1 64 ASP QB 1 68 ALA MB . . 5.500 5.196 5.196 5.196 . 0 0 "[ ]" 1
1227 1 65 ALA H 1 65 ALA MB . . 3.070 2.264 2.264 2.264 . 0 0 "[ ]" 1
1228 1 65 ALA H 1 66 GLU HA . . 5.500 5.379 5.379 5.379 . 0 0 "[ ]" 1
1229 1 65 ALA H 1 66 GLU HB3 . . 5.270 5.077 5.077 5.077 . 0 0 "[ ]" 1
1230 1 65 ALA H 1 67 GLU H . . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
1231 1 65 ALA HA 1 67 GLU H . . 4.870 4.334 4.334 4.334 . 0 0 "[ ]" 1
1232 1 65 ALA MB 1 66 GLU H . . 3.310 2.511 2.511 2.511 . 0 0 "[ ]" 1
1233 1 65 ALA MB 1 66 GLU HA . . 4.310 3.994 3.994 3.994 . 0 0 "[ ]" 1
1234 1 65 ALA MB 1 80 VAL MG2 . . 3.990 3.926 3.926 3.926 . 0 0 "[ ]" 1
1235 1 66 GLU H 1 66 GLU HB2 . . 3.350 2.161 2.161 2.161 . 0 0 "[ ]" 1
1236 1 66 GLU H 1 66 GLU HB3 . . 3.340 2.726 2.726 2.726 . 0 0 "[ ]" 1
1237 1 66 GLU H 1 66 GLU HG2 . . 4.290 4.363 4.363 4.363 0.073 1 0 "[ ]" 1
1238 1 66 GLU H 1 80 VAL MG2 . . 4.500 4.459 4.459 4.459 . 0 0 "[ ]" 1
1239 1 66 GLU HA 1 66 GLU HG2 . . 4.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
1240 1 66 GLU HA 1 66 GLU HG3 . . 3.860 2.700 2.700 2.700 . 0 0 "[ ]" 1
1241 1 66 GLU HA 1 68 ALA H . . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
1242 1 66 GLU HA 1 69 ILE H . . 4.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
1243 1 66 GLU HA 1 69 ILE HB . . 3.460 2.401 2.401 2.401 . 0 0 "[ ]" 1
1244 1 66 GLU HA 1 78 VAL HB . . 5.190 5.753 5.753 5.753 0.563 1 1 [+] 1
1245 1 66 GLU HA 1 78 VAL QG . . 3.240 2.990 2.990 2.990 . 0 0 "[ ]" 1
1246 1 66 GLU HA 1 80 VAL MG2 . . 3.370 3.274 3.274 3.274 . 0 0 "[ ]" 1
1247 1 66 GLU HB3 1 67 GLU H . . 4.210 2.641 2.641 2.641 . 0 0 "[ ]" 1
1248 1 66 GLU HB3 1 70 LYS QE . . 5.390 3.015 3.015 3.015 . 0 0 "[ ]" 1
1249 1 66 GLU HG2 1 67 GLU HA . . 5.480 4.612 4.612 4.612 . 0 0 "[ ]" 1
1250 1 66 GLU HG2 1 70 LYS QD . . 4.320 4.423 4.423 4.423 0.103 1 0 "[ ]" 1
1251 1 66 GLU HG2 1 70 LYS QE . . 3.930 2.553 2.553 2.553 . 0 0 "[ ]" 1
1252 1 66 GLU HG2 1 70 LYS HG2 . . 5.420 4.306 4.306 4.306 . 0 0 "[ ]" 1
1253 1 66 GLU HG2 1 78 VAL QG . . 4.170 2.313 2.313 2.313 . 0 0 "[ ]" 1
1254 1 66 GLU HG2 1 80 VAL MG2 . . 4.230 4.338 4.338 4.338 0.108 1 0 "[ ]" 1
1255 1 66 GLU HG3 1 69 ILE MG . . 5.500 4.565 4.565 4.565 . 0 0 "[ ]" 1
1256 1 66 GLU HG3 1 70 LYS QE . . 4.430 3.940 3.940 3.940 . 0 0 "[ ]" 1
1257 1 66 GLU HG3 1 78 VAL HB . . 4.020 4.080 4.080 4.080 0.060 1 0 "[ ]" 1
1258 1 66 GLU HG3 1 78 VAL QG . . 4.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
1259 1 66 GLU HG3 1 80 VAL H . . 5.500 5.494 5.494 5.494 . 0 0 "[ ]" 1
1260 1 67 GLU H 1 67 GLU HB3 . . 3.210 2.737 2.737 2.737 . 0 0 "[ ]" 1
1261 1 67 GLU H 1 67 GLU QG . . 3.320 4.002 4.002 4.002 0.682 1 1 [+] 1
1262 1 67 GLU H 1 68 ALA H . . 4.130 2.835 2.835 2.835 . 0 0 "[ ]" 1
1263 1 67 GLU H 1 68 ALA MB . . 5.400 4.564 4.564 4.564 . 0 0 "[ ]" 1
1264 1 67 GLU H 1 69 ILE H . . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
1265 1 67 GLU HA 1 67 GLU HB2 . . 2.840 2.570 2.570 2.570 . 0 0 "[ ]" 1
1266 1 67 GLU HA 1 67 GLU QG . . 3.560 2.549 2.549 2.549 . 0 0 "[ ]" 1
1267 1 67 GLU HA 1 68 ALA H . . 3.450 3.526 3.526 3.526 0.076 1 0 "[ ]" 1
1268 1 67 GLU HA 1 69 ILE H . . 4.820 4.798 4.798 4.798 . 0 0 "[ ]" 1
1269 1 67 GLU HA 1 70 LYS QD . . 3.140 3.034 3.034 3.034 . 0 0 "[ ]" 1
1270 1 67 GLU HA 1 70 LYS QE . . 4.360 2.104 2.104 2.104 . 0 0 "[ ]" 1
1271 1 67 GLU HA 1 70 LYS HG2 . . 3.710 2.406 2.406 2.406 . 0 0 "[ ]" 1
1272 1 67 GLU HA 1 70 LYS HG3 . . 4.070 3.815 3.815 3.815 . 0 0 "[ ]" 1
1273 1 67 GLU HB2 1 68 ALA H . . 4.420 3.830 3.830 3.830 . 0 0 "[ ]" 1
1274 1 67 GLU QG 1 68 ALA H . . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
1275 1 67 GLU QG 1 70 LYS H . . 5.500 5.537 5.537 5.537 0.037 1 0 "[ ]" 1
1276 1 68 ALA H 1 68 ALA MB . . 2.970 2.238 2.238 2.238 . 0 0 "[ ]" 1
1277 1 68 ALA H 1 69 ILE H . . 3.730 2.468 2.468 2.468 . 0 0 "[ ]" 1
1278 1 68 ALA H 1 69 ILE MG . . 5.500 5.600 5.600 5.600 0.100 1 0 "[ ]" 1
1279 1 68 ALA HA 1 69 ILE HA . . 5.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
1280 1 68 ALA HA 1 70 LYS H . . 5.050 4.655 4.655 4.655 . 0 0 "[ ]" 1
1281 1 68 ALA HA 1 71 LYS H . . 3.890 3.814 3.814 3.814 . 0 0 "[ ]" 1
1282 1 68 ALA HA 1 71 LYS QD . . 4.290 4.095 4.095 4.095 . 0 0 "[ ]" 1
1283 1 68 ALA HA 1 71 LYS QE . . 4.140 2.030 2.030 2.030 . 0 0 "[ ]" 1
1284 1 68 ALA MB 1 69 ILE H . . 3.410 2.373 2.373 2.373 . 0 0 "[ ]" 1
1285 1 68 ALA MB 1 69 ILE HA . . 5.020 3.693 3.693 3.693 . 0 0 "[ ]" 1
1286 1 68 ALA MB 1 69 ILE HB . . 4.480 4.306 4.306 4.306 . 0 0 "[ ]" 1
1287 1 68 ALA MB 1 69 ILE HG13 . . 4.190 3.062 3.062 3.062 . 0 0 "[ ]" 1
1288 1 68 ALA MB 1 70 LYS H . . 5.230 4.605 4.605 4.605 . 0 0 "[ ]" 1
1289 1 68 ALA MB 1 71 LYS H . . 4.890 4.639 4.639 4.639 . 0 0 "[ ]" 1
1290 1 68 ALA MB 1 71 LYS QE . . 4.780 3.076 3.076 3.076 . 0 0 "[ ]" 1
1291 1 69 ILE H 1 69 ILE HB . . 3.200 2.332 2.332 2.332 . 0 0 "[ ]" 1
1292 1 69 ILE H 1 69 ILE MD . . 4.340 3.462 3.462 3.462 . 0 0 "[ ]" 1
1293 1 69 ILE H 1 69 ILE HG12 . . 4.080 3.568 3.568 3.568 . 0 0 "[ ]" 1
1294 1 69 ILE H 1 69 ILE HG13 . . 3.380 2.219 2.219 2.219 . 0 0 "[ ]" 1
1295 1 69 ILE H 1 69 ILE MG . . 4.500 3.711 3.711 3.711 . 0 0 "[ ]" 1
1296 1 69 ILE H 1 70 LYS H . . 3.350 2.934 2.934 2.934 . 0 0 "[ ]" 1
1297 1 69 ILE H 1 71 LYS H . . 4.980 4.323 4.323 4.323 . 0 0 "[ ]" 1
1298 1 69 ILE H 1 72 ILE H . . 5.500 5.929 5.929 5.929 0.429 1 0 "[ ]" 1
1299 1 69 ILE HA 1 69 ILE MD . . 4.010 3.825 3.825 3.825 . 0 0 "[ ]" 1
1300 1 69 ILE HA 1 69 ILE HG12 . . 3.810 2.462 2.462 2.462 . 0 0 "[ ]" 1
1301 1 69 ILE HA 1 69 ILE HG13 . . 3.440 2.763 2.763 2.763 . 0 0 "[ ]" 1
1302 1 69 ILE HA 1 69 ILE MG . . 3.520 2.514 2.514 2.514 . 0 0 "[ ]" 1
1303 1 69 ILE HA 1 71 LYS H . . 4.240 3.941 3.941 3.941 . 0 0 "[ ]" 1
1304 1 69 ILE HA 1 72 ILE H . . 4.200 4.277 4.277 4.277 0.077 1 0 "[ ]" 1
1305 1 69 ILE HA 1 72 ILE HB . . 4.700 4.683 4.683 4.683 . 0 0 "[ ]" 1
1306 1 69 ILE HA 1 72 ILE MD . . 3.020 2.225 2.225 2.225 . 0 0 "[ ]" 1
1307 1 69 ILE HA 1 72 ILE HG12 . . 4.400 4.254 4.254 4.254 . 0 0 "[ ]" 1
1308 1 69 ILE HA 1 72 ILE HG13 . . 4.050 3.096 3.096 3.096 . 0 0 "[ ]" 1
1309 1 69 ILE HB 1 69 ILE MD . . 3.540 2.382 2.382 2.382 . 0 0 "[ ]" 1
1310 1 69 ILE MG 1 70 LYS H . . 4.540 3.190 3.190 3.190 . 0 0 "[ ]" 1
1311 1 69 ILE MG 1 70 LYS HA . . 5.270 3.237 3.237 3.237 . 0 0 "[ ]" 1
1312 1 69 ILE MG 1 71 LYS H . . 5.500 4.704 4.704 4.704 . 0 0 "[ ]" 1
1313 1 70 LYS H 1 70 LYS QB . . 3.120 2.394 2.394 2.394 . 0 0 "[ ]" 1
1314 1 70 LYS H 1 70 LYS QD . . 4.170 4.253 4.253 4.253 0.083 1 0 "[ ]" 1
1315 1 70 LYS H 1 70 LYS QE . . 5.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
1316 1 70 LYS H 1 70 LYS HG2 . . 4.150 2.344 2.344 2.344 . 0 0 "[ ]" 1
1317 1 70 LYS H 1 70 LYS HG3 . . 3.550 3.580 3.580 3.580 0.030 1 0 "[ ]" 1
1318 1 70 LYS H 1 71 LYS H . . 3.380 2.935 2.935 2.935 . 0 0 "[ ]" 1
1319 1 70 LYS H 1 72 ILE H . . 4.560 4.575 4.575 4.575 0.015 1 0 "[ ]" 1
1320 1 70 LYS H 1 78 VAL QG . . 4.040 3.510 3.510 3.510 . 0 0 "[ ]" 1
1321 1 70 LYS HA 1 70 LYS QB . . 2.720 2.170 2.170 2.170 . 0 0 "[ ]" 1
1322 1 70 LYS HA 1 72 ILE H . . 4.250 3.675 3.675 3.675 . 0 0 "[ ]" 1
1323 1 70 LYS HA 1 78 VAL QG . . 3.910 2.777 2.777 2.777 . 0 0 "[ ]" 1
1324 1 70 LYS QB 1 78 VAL QG . . 4.190 2.530 2.530 2.530 . 0 0 "[ ]" 1
1325 1 70 LYS QD 1 78 VAL QG . . 4.470 4.331 4.331 4.331 . 0 0 "[ ]" 1
1326 1 70 LYS QE 1 78 VAL H . . 5.500 7.601 7.601 7.601 2.101 1 1 [+] 1
1327 1 70 LYS QE 1 78 VAL HB . . 4.530 5.591 5.591 5.591 1.061 1 1 [+] 1
1328 1 70 LYS QE 1 78 VAL QG . . 4.690 3.636 3.636 3.636 . 0 0 "[ ]" 1
1329 1 70 LYS HG3 1 78 VAL QG . . 4.860 4.906 4.906 4.906 0.046 1 0 "[ ]" 1
1330 1 71 LYS H 1 71 LYS HB3 . . 3.330 2.210 2.210 2.210 . 0 0 "[ ]" 1
1331 1 71 LYS H 1 71 LYS QD . . 4.310 4.420 4.420 4.420 0.110 1 0 "[ ]" 1
1332 1 71 LYS H 1 71 LYS QE . . 4.860 3.660 3.660 3.660 . 0 0 "[ ]" 1
1333 1 71 LYS H 1 71 LYS HG2 . . 3.260 2.810 2.810 2.810 . 0 0 "[ ]" 1
1334 1 71 LYS H 1 71 LYS HG3 . . 3.750 3.789 3.789 3.789 0.039 1 0 "[ ]" 1
1335 1 71 LYS H 1 72 ILE H . . 3.100 2.455 2.455 2.455 . 0 0 "[ ]" 1
1336 1 71 LYS H 1 72 ILE HA . . 5.060 4.785 4.785 4.785 . 0 0 "[ ]" 1
1337 1 71 LYS H 1 72 ILE HG12 . . 4.480 4.543 4.543 4.543 0.063 1 0 "[ ]" 1
1338 1 71 LYS H 1 72 ILE HG13 . . 3.010 3.018 3.018 3.018 0.008 1 0 "[ ]" 1
1339 1 71 LYS HA 1 71 LYS HB3 . . 3.000 2.625 2.625 2.625 . 0 0 "[ ]" 1
1340 1 71 LYS HA 1 71 LYS QD . . 4.680 4.066 4.066 4.066 . 0 0 "[ ]" 1
1341 1 71 LYS HA 1 71 LYS QE . . 5.210 4.396 4.396 4.396 . 0 0 "[ ]" 1
1342 1 71 LYS HA 1 71 LYS HG3 . . 3.430 3.503 3.503 3.503 0.073 1 0 "[ ]" 1
1343 1 71 LYS HA 1 72 ILE HA . . 4.860 4.696 4.696 4.696 . 0 0 "[ ]" 1
1344 1 71 LYS HB2 1 72 ILE H . . 4.520 4.482 4.482 4.482 . 0 0 "[ ]" 1
1345 1 71 LYS HB3 1 72 ILE H . . 5.010 4.046 4.046 4.046 . 0 0 "[ ]" 1
1346 1 71 LYS QE 1 71 LYS HG2 . . 3.760 2.389 2.389 2.389 . 0 0 "[ ]" 1
1347 1 71 LYS QE 1 71 LYS HG3 . . 3.390 3.327 3.327 3.327 . 0 0 "[ ]" 1
1348 1 71 LYS HG2 1 72 ILE H . . 4.660 3.463 3.463 3.463 . 0 0 "[ ]" 1
1349 1 71 LYS HG3 1 72 ILE H . . 4.900 3.744 3.744 3.744 . 0 0 "[ ]" 1
1350 1 72 ILE H 1 72 ILE HB . . 3.000 2.655 2.655 2.655 . 0 0 "[ ]" 1
1351 1 72 ILE H 1 72 ILE MD . . 4.140 3.349 3.349 3.349 . 0 0 "[ ]" 1
1352 1 72 ILE H 1 72 ILE HG12 . . 3.940 3.315 3.315 3.315 . 0 0 "[ ]" 1
1353 1 72 ILE H 1 72 ILE HG13 . . 3.190 1.940 1.940 1.940 . 0 0 "[ ]" 1
1354 1 72 ILE H 1 72 ILE MG . . 3.750 3.766 3.766 3.766 0.016 1 0 "[ ]" 1
1355 1 72 ILE H 1 73 GLU H . . 4.710 3.532 3.532 3.532 . 0 0 "[ ]" 1
1356 1 72 ILE H 1 74 GLY H . . 4.620 4.928 4.928 4.928 0.308 1 0 "[ ]" 1
1357 1 72 ILE H 1 75 VAL H . . 4.740 4.649 4.649 4.649 . 0 0 "[ ]" 1
1358 1 72 ILE H 1 75 VAL MG1 . . 3.760 2.221 2.221 2.221 . 0 0 "[ ]" 1
1359 1 72 ILE HA 1 72 ILE MD . . 4.560 3.986 3.986 3.986 . 0 0 "[ ]" 1
1360 1 72 ILE HA 1 72 ILE HG12 . . 3.920 2.856 2.856 2.856 . 0 0 "[ ]" 1
1361 1 72 ILE HA 1 72 ILE HG13 . . 3.370 3.159 3.159 3.159 . 0 0 "[ ]" 1
1362 1 72 ILE HA 1 72 ILE MG . . 3.100 2.314 2.314 2.314 . 0 0 "[ ]" 1
1363 1 72 ILE HA 1 73 GLU H . . 2.610 2.448 2.448 2.448 . 0 0 "[ ]" 1
1364 1 72 ILE HA 1 73 GLU HB3 . . 4.280 3.843 3.843 3.843 . 0 0 "[ ]" 1
1365 1 72 ILE HA 1 75 VAL H . . 5.220 4.933 4.933 4.933 . 0 0 "[ ]" 1
1366 1 72 ILE HB 1 72 ILE MD . . 3.540 2.244 2.244 2.244 . 0 0 "[ ]" 1
1367 1 72 ILE HB 1 74 GLY H . . 3.840 4.479 4.479 4.479 0.639 1 1 [+] 1
1368 1 72 ILE HB 1 75 VAL H . . 4.880 3.432 3.432 3.432 . 0 0 "[ ]" 1
1369 1 72 ILE HB 1 75 VAL MG1 . . 3.070 2.765 2.765 2.765 . 0 0 "[ ]" 1
1370 1 72 ILE HG12 1 73 GLU H . . 5.150 5.174 5.174 5.174 0.024 1 0 "[ ]" 1
1371 1 72 ILE HG13 1 73 GLU H . . 5.490 4.884 4.884 4.884 . 0 0 "[ ]" 1
1372 1 72 ILE MG 1 73 GLU H . . 3.700 3.943 3.943 3.943 0.243 1 0 "[ ]" 1
1373 1 72 ILE MG 1 73 GLU HA . . 4.320 5.206 5.206 5.206 0.886 1 1 [+] 1
1374 1 72 ILE MG 1 74 GLY H . . 4.780 4.433 4.433 4.433 . 0 0 "[ ]" 1
1375 1 72 ILE MG 1 75 VAL H . . 5.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
1376 1 73 GLU H 1 73 GLU HA . . 2.850 2.404 2.404 2.404 . 0 0 "[ ]" 1
1377 1 73 GLU H 1 73 GLU HB2 . . 3.450 3.563 3.563 3.563 0.113 1 0 "[ ]" 1
1378 1 73 GLU H 1 73 GLU HB3 . . 2.990 2.285 2.285 2.285 . 0 0 "[ ]" 1
1379 1 73 GLU H 1 73 GLU HG2 . . 3.760 3.001 3.001 3.001 . 0 0 "[ ]" 1
1380 1 73 GLU H 1 73 GLU HG3 . . 3.810 4.206 4.206 4.206 0.396 1 0 "[ ]" 1
1381 1 73 GLU H 1 75 VAL H . . 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
1382 1 73 GLU H 1 75 VAL MG1 . . 4.650 3.644 3.644 3.644 . 0 0 "[ ]" 1
1383 1 73 GLU HA 1 73 GLU HG2 . . 3.630 3.684 3.684 3.684 0.054 1 0 "[ ]" 1
1384 1 73 GLU HA 1 73 GLU HG3 . . 3.860 3.866 3.866 3.866 0.006 1 0 "[ ]" 1
1385 1 73 GLU HA 1 74 GLY QA . . 4.990 4.034 4.034 4.034 . 0 0 "[ ]" 1
1386 1 73 GLU HA 1 75 VAL H . . 3.990 4.419 4.419 4.419 0.429 1 0 "[ ]" 1
1387 1 73 GLU HB2 1 74 GLY H . . 4.610 4.449 4.449 4.449 . 0 0 "[ ]" 1
1388 1 73 GLU HG2 1 74 GLY H . . 4.170 4.189 4.189 4.189 0.019 1 0 "[ ]" 1
1389 1 73 GLU HG2 1 75 VAL H . . 5.500 4.869 4.869 4.869 . 0 0 "[ ]" 1
1390 1 73 GLU HG3 1 74 GLY H . . 4.340 4.583 4.583 4.583 0.243 1 0 "[ ]" 1
1391 1 73 GLU HG3 1 74 GLY QA . . 4.910 4.003 4.003 4.003 . 0 0 "[ ]" 1
1392 1 74 GLY H 1 75 VAL H . . 3.200 1.894 1.894 1.894 . 0 0 "[ ]" 1
1393 1 74 GLY H 1 75 VAL HA . . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
1394 1 74 GLY H 1 75 VAL HB . . 4.750 3.892 3.892 3.892 . 0 0 "[ ]" 1
1395 1 74 GLY H 1 75 VAL MG1 . . 5.250 2.416 2.416 2.416 . 0 0 "[ ]" 1
1396 1 74 GLY QA 1 76 ASN H . . 5.360 4.201 4.201 4.201 . 0 0 "[ ]" 1
1397 1 75 VAL H 1 75 VAL HB . . 2.980 2.237 2.237 2.237 . 0 0 "[ ]" 1
1398 1 75 VAL H 1 75 VAL MG1 . . 3.540 2.132 2.132 2.132 . 0 0 "[ ]" 1
1399 1 75 VAL H 1 76 ASN H . . 4.640 3.806 3.806 3.806 . 0 0 "[ ]" 1
1400 1 75 VAL H 1 76 ASN HA . . 5.500 5.554 5.554 5.554 0.054 1 0 "[ ]" 1
1401 1 75 VAL H 1 76 ASN HB2 . . 5.500 5.746 5.746 5.746 0.246 1 0 "[ ]" 1
1402 1 75 VAL HA 1 75 VAL MG1 . . 3.280 3.149 3.149 3.149 . 0 0 "[ ]" 1
1403 1 75 VAL HA 1 75 VAL MG2 . . 3.050 2.158 2.158 2.158 . 0 0 "[ ]" 1
1404 1 75 VAL HA 1 76 ASN H . . 2.690 2.152 2.152 2.152 . 0 0 "[ ]" 1
1405 1 75 VAL HA 1 76 ASN HA . . 4.590 4.603 4.603 4.603 0.013 1 0 "[ ]" 1
1406 1 75 VAL HA 1 76 ASN HB2 . . 4.870 4.321 4.321 4.321 . 0 0 "[ ]" 1
1407 1 75 VAL HA 1 76 ASN HB3 . . 4.900 3.981 3.981 3.981 . 0 0 "[ ]" 1
1408 1 75 VAL HA 1 77 ASN H . . 5.180 3.845 3.845 3.845 . 0 0 "[ ]" 1
1409 1 75 VAL HB 1 76 ASN H . . 4.800 4.361 4.361 4.361 . 0 0 "[ ]" 1
1410 1 75 VAL MG1 1 76 ASN HA . . 5.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
1411 1 75 VAL MG2 1 76 ASN H . . 3.850 3.572 3.572 3.572 . 0 0 "[ ]" 1
1412 1 75 VAL MG2 1 76 ASN HB3 . . 5.490 4.514 4.514 4.514 . 0 0 "[ ]" 1
1413 1 76 ASN H 1 76 ASN HB2 . . 3.270 2.212 2.212 2.212 . 0 0 "[ ]" 1
1414 1 76 ASN H 1 76 ASN HB3 . . 3.490 2.299 2.299 2.299 . 0 0 "[ ]" 1
1415 1 76 ASN H 1 77 ASN H . . 3.580 3.021 3.021 3.021 . 0 0 "[ ]" 1
1416 1 76 ASN H 1 77 ASN HB3 . . 5.500 5.899 5.899 5.899 0.399 1 0 "[ ]" 1
1417 1 76 ASN HA 1 76 ASN HD22 . . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
1418 1 76 ASN HA 1 78 VAL QG . . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
1419 1 76 ASN HB2 1 77 ASN H . . 3.490 3.578 3.578 3.578 0.088 1 0 "[ ]" 1
1420 1 76 ASN HB3 1 76 ASN HD21 . . 3.510 2.357 2.357 2.357 . 0 0 "[ ]" 1
1421 1 76 ASN HB3 1 77 ASN H . . 2.830 2.014 2.014 2.014 . 0 0 "[ ]" 1
1422 1 76 ASN HB3 1 77 ASN HA . . 5.500 4.683 4.683 4.683 . 0 0 "[ ]" 1
1423 1 76 ASN HD21 1 77 ASN H . . 4.900 2.883 2.883 2.883 . 0 0 "[ ]" 1
1424 1 76 ASN HD21 1 77 ASN HD22 . . 5.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
1425 1 76 ASN HD22 1 77 ASN H . . 4.870 4.410 4.410 4.410 . 0 0 "[ ]" 1
1426 1 76 ASN HD22 1 77 ASN HA . . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
1427 1 76 ASN HD22 1 77 ASN HB3 . . 5.500 3.654 3.654 3.654 . 0 0 "[ ]" 1
1428 1 77 ASN H 1 77 ASN HB2 . . 3.380 3.828 3.828 3.828 0.448 1 0 "[ ]" 1
1429 1 77 ASN H 1 77 ASN HB3 . . 3.150 3.223 3.223 3.223 0.073 1 0 "[ ]" 1
1430 1 77 ASN H 1 77 ASN HD22 . . 4.810 4.654 4.654 4.654 . 0 0 "[ ]" 1
1431 1 77 ASN H 1 78 VAL H . . 4.350 4.375 4.375 4.375 0.025 1 0 "[ ]" 1
1432 1 77 ASN H 1 78 VAL HA . . 5.020 4.912 4.912 4.912 . 0 0 "[ ]" 1
1433 1 77 ASN H 1 78 VAL QG . . 5.040 4.025 4.025 4.025 . 0 0 "[ ]" 1
1434 1 77 ASN HA 1 77 ASN HB2 . . 2.970 2.442 2.442 2.442 . 0 0 "[ ]" 1
1435 1 77 ASN HA 1 77 ASN HD22 . . 5.250 5.369 5.369 5.369 0.119 1 0 "[ ]" 1
1436 1 77 ASN HA 1 78 VAL H . . 2.540 2.428 2.428 2.428 . 0 0 "[ ]" 1
1437 1 77 ASN HA 1 78 VAL QG . . 3.990 2.555 2.555 2.555 . 0 0 "[ ]" 1
1438 1 77 ASN HB3 1 77 ASN HD22 . . 3.800 3.885 3.885 3.885 0.085 1 0 "[ ]" 1
1439 1 77 ASN HD21 1 78 VAL H . . 5.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
1440 1 77 ASN HD21 1 79 GLU HB2 . . 5.500 4.693 4.693 4.693 . 0 0 "[ ]" 1
1441 1 77 ASN HD21 1 79 GLU HB3 . . 5.500 5.181 5.181 5.181 . 0 0 "[ ]" 1
1442 1 77 ASN HD21 1 79 GLU QG . . 5.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
1443 1 77 ASN HD22 1 78 VAL H . . 5.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
1444 1 77 ASN HD22 1 79 GLU HB2 . . 5.500 4.880 4.880 4.880 . 0 0 "[ ]" 1
1445 1 77 ASN HD22 1 79 GLU QG . . 5.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
1446 1 78 VAL H 1 78 VAL HB . . 3.060 2.502 2.502 2.502 . 0 0 "[ ]" 1
1447 1 78 VAL H 1 78 VAL QG . . 3.530 2.676 2.676 2.676 . 0 0 "[ ]" 1
1448 1 78 VAL H 1 79 GLU H . . 4.940 3.858 3.858 3.858 . 0 0 "[ ]" 1
1449 1 78 VAL HA 1 78 VAL QG . . 2.960 2.162 2.162 2.162 . 0 0 "[ ]" 1
1450 1 78 VAL HA 1 79 GLU H . . 2.620 2.281 2.281 2.281 . 0 0 "[ ]" 1
1451 1 78 VAL HA 1 79 GLU HB2 . . 5.120 4.514 4.514 4.514 . 0 0 "[ ]" 1
1452 1 78 VAL HB 1 79 GLU H . . 4.570 4.597 4.597 4.597 0.027 1 0 "[ ]" 1
1453 1 78 VAL QG 1 79 GLU H . . 3.620 3.489 3.489 3.489 . 0 0 "[ ]" 1
1454 1 78 VAL QG 1 79 GLU QG . . 4.890 4.676 4.676 4.676 . 0 0 "[ ]" 1
1455 1 78 VAL QG 1 80 VAL H . . 3.660 3.204 3.204 3.204 . 0 0 "[ ]" 1
1456 1 79 GLU H 1 79 GLU HB2 . . 3.700 2.269 2.269 2.269 . 0 0 "[ ]" 1
1457 1 79 GLU H 1 79 GLU HB3 . . 3.820 3.566 3.566 3.566 . 0 0 "[ ]" 1
1458 1 79 GLU H 1 79 GLU QG . . 4.970 2.795 2.795 2.795 . 0 0 "[ ]" 1
1459 1 79 GLU H 1 80 VAL H . . 4.320 3.589 3.589 3.589 . 0 0 "[ ]" 1
1460 1 79 GLU H 1 80 VAL MG2 . . 5.380 3.819 3.819 3.819 . 0 0 "[ ]" 1
1461 1 79 GLU HA 1 80 VAL H . . 2.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
1462 1 79 GLU HB2 1 80 VAL H . . 4.860 4.490 4.490 4.490 . 0 0 "[ ]" 1
1463 1 79 GLU QG 1 80 VAL H . . 4.870 4.714 4.714 4.714 . 0 0 "[ ]" 1
1464 1 80 VAL H 1 80 VAL HB . . 3.360 2.558 2.558 2.558 . 0 0 "[ ]" 1
1465 1 80 VAL H 1 80 VAL MG1 . . 4.540 3.836 3.836 3.836 . 0 0 "[ ]" 1
1466 1 80 VAL H 1 80 VAL MG2 . . 4.030 2.273 2.273 2.273 . 0 0 "[ ]" 1
1467 1 80 VAL HA 1 80 VAL MG1 . . 3.440 2.396 2.396 2.396 . 0 0 "[ ]" 1
1468 1 80 VAL HA 1 80 VAL MG2 . . 3.250 2.457 2.457 2.457 . 0 0 "[ ]" 1
1469 1 80 VAL HA 1 81 GLU H . . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1
1470 1 80 VAL MG1 1 81 GLU H . . 3.720 3.299 3.299 3.299 . 0 0 "[ ]" 1
1471 1 81 GLU H 1 81 GLU HB2 . . 3.530 2.479 2.479 2.479 . 0 0 "[ ]" 1
1472 1 81 GLU H 1 81 GLU HB3 . . 3.560 2.485 2.485 2.485 . 0 0 "[ ]" 1
1473 1 81 GLU H 1 81 GLU HG2 . . 4.820 4.550 4.550 4.550 . 0 0 "[ ]" 1
1474 1 81 GLU H 1 81 GLU HG3 . . 4.950 4.460 4.460 4.460 . 0 0 "[ ]" 1
1475 1 81 GLU H 1 82 LEU H . . 5.270 4.498 4.498 4.498 . 0 0 "[ ]" 1
1476 1 81 GLU HA 1 81 GLU HG2 . . 4.080 3.759 3.759 3.759 . 0 0 "[ ]" 1
1477 1 81 GLU HA 1 81 GLU HG3 . . 3.860 2.586 2.586 2.586 . 0 0 "[ ]" 1
1478 1 81 GLU HA 1 82 LEU H . . 3.180 2.190 2.190 2.190 . 0 0 "[ ]" 1
1479 1 81 GLU HA 1 82 LEU QB . . 4.150 3.866 3.866 3.866 . 0 0 "[ ]" 1
1480 1 81 GLU HB2 1 82 LEU H . . 4.150 4.234 4.234 4.234 0.084 1 0 "[ ]" 1
1481 1 81 GLU HB3 1 82 LEU H . . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
1482 1 81 GLU HG2 1 82 LEU H . . 4.460 4.037 4.037 4.037 . 0 0 "[ ]" 1
1483 1 81 GLU HG3 1 82 LEU H . . 4.220 2.477 2.477 2.477 . 0 0 "[ ]" 1
1484 1 82 LEU H 1 82 LEU QB . . 3.160 2.454 2.454 2.454 . 0 0 "[ ]" 1
1485 1 82 LEU H 1 82 LEU QD . . 5.080 3.935 3.935 3.935 . 0 0 "[ ]" 1
1486 1 82 LEU H 1 82 LEU HG . . 4.370 4.450 4.450 4.450 0.080 1 0 "[ ]" 1
1487 1 82 LEU HA 1 82 LEU QD . . 3.440 2.108 2.108 2.108 . 0 0 "[ ]" 1
1488 1 82 LEU HA 1 83 THR H . . 2.870 2.279 2.279 2.279 . 0 0 "[ ]" 1
1489 1 82 LEU HA 1 83 THR HB . . 5.500 4.563 4.563 4.563 . 0 0 "[ ]" 1
1490 1 82 LEU QB 1 83 THR H . . 4.160 4.059 4.059 4.059 . 0 0 "[ ]" 1
1491 1 82 LEU QB 1 84 PHE QE . . 4.540 4.602 4.602 4.602 0.062 1 0 "[ ]" 1
1492 1 82 LEU QD 1 83 THR H . . 4.010 3.668 3.668 3.668 . 0 0 "[ ]" 1
1493 1 82 LEU QD 1 83 THR HA . . 4.590 5.112 5.112 5.112 0.522 1 1 [+] 1
1494 1 82 LEU QD 1 84 PHE HB2 . . 4.800 4.167 4.167 4.167 . 0 0 "[ ]" 1
1495 1 82 LEU QD 1 84 PHE QD . . 4.430 2.719 2.719 2.719 . 0 0 "[ ]" 1
1496 1 82 LEU QD 1 84 PHE QE . . 3.490 2.085 2.085 2.085 . 0 0 "[ ]" 1
1497 1 82 LEU QD 1 84 PHE HZ . . 3.850 3.338 3.338 3.338 . 0 0 "[ ]" 1
1498 1 82 LEU HG 1 83 THR H . . 4.690 4.168 4.168 4.168 . 0 0 "[ ]" 1
1499 1 82 LEU HG 1 84 PHE QE . . 4.440 3.262 3.262 3.262 . 0 0 "[ ]" 1
1500 1 83 THR H 1 83 THR HB . . 4.140 2.312 2.312 2.312 . 0 0 "[ ]" 1
1501 1 83 THR H 1 83 THR MG . . 3.630 3.722 3.722 3.722 0.092 1 0 "[ ]" 1
1502 1 83 THR HA 1 84 PHE H . . 3.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
1503 1 83 THR HA 1 84 PHE HB2 . . 4.180 4.081 4.081 4.081 . 0 0 "[ ]" 1
1504 1 83 THR HB 1 84 PHE H . . 4.390 4.466 4.466 4.466 0.076 1 0 "[ ]" 1
1505 1 83 THR HB 1 85 ASP H . . 5.500 4.488 4.488 4.488 . 0 0 "[ ]" 1
1506 1 83 THR HB 1 86 PRO HD3 . . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
1507 1 83 THR HB 1 86 PRO HG2 . . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
1508 1 83 THR MG 1 84 PHE H . . 4.650 3.438 3.438 3.438 . 0 0 "[ ]" 1
1509 1 83 THR MG 1 84 PHE HA . . 4.410 4.408 4.408 4.408 . 0 0 "[ ]" 1
1510 1 83 THR MG 1 85 ASP H . . 4.040 2.740 2.740 2.740 . 0 0 "[ ]" 1
1511 1 83 THR MG 1 85 ASP HA . . 5.500 5.163 5.163 5.163 . 0 0 "[ ]" 1
1512 1 83 THR MG 1 85 ASP HB2 . . 5.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
1513 1 83 THR MG 1 86 PRO HD2 . . 5.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
1514 1 83 THR MG 1 86 PRO HD3 . . 5.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
1515 1 83 THR MG 1 86 PRO HG2 . . 4.030 2.682 2.682 2.682 . 0 0 "[ ]" 1
1516 1 84 PHE H 1 84 PHE HB2 . . 3.810 2.195 2.195 2.195 . 0 0 "[ ]" 1
1517 1 84 PHE H 1 84 PHE QD . . 4.110 4.046 4.046 4.046 . 0 0 "[ ]" 1
1518 1 84 PHE H 1 85 ASP H . . 3.810 2.917 2.917 2.917 . 0 0 "[ ]" 1
1519 1 84 PHE H 1 85 ASP HA . . 5.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
1520 1 84 PHE H 1 85 ASP HB2 . . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
1521 1 84 PHE H 1 85 ASP HB3 . . 5.500 5.580 5.580 5.580 0.080 1 0 "[ ]" 1
1522 1 84 PHE HA 1 84 PHE QD . . 3.430 2.278 2.278 2.278 . 0 0 "[ ]" 1
1523 1 84 PHE HB2 1 85 ASP H . . 5.500 4.350 4.350 4.350 . 0 0 "[ ]" 1
1524 1 84 PHE HB3 1 85 ASP H . . 5.330 4.249 4.249 4.249 . 0 0 "[ ]" 1
1525 1 85 ASP H 1 85 ASP HB2 . . 3.780 2.377 2.377 2.377 . 0 0 "[ ]" 1
1526 1 85 ASP H 1 85 ASP HB3 . . 3.840 3.221 3.221 3.221 . 0 0 "[ ]" 1
1527 1 85 ASP H 1 86 PRO HA . . 5.370 4.965 4.965 4.965 . 0 0 "[ ]" 1
1528 1 85 ASP H 1 86 PRO HD3 . . 5.500 2.182 2.182 2.182 . 0 0 "[ ]" 1
1529 1 85 ASP HB2 1 86 PRO HA . . 4.980 5.097 5.097 5.097 0.117 1 0 "[ ]" 1
1530 1 85 ASP HB3 1 86 PRO HA . . 4.750 3.621 3.621 3.621 . 0 0 "[ ]" 1
1531 1 85 ASP HB3 1 87 PRO HD3 . . 5.500 5.577 5.577 5.577 0.077 1 0 "[ ]" 1
1532 1 86 PRO HA 1 87 PRO QB . . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
1533 1 86 PRO HA 1 87 PRO HD2 . . 3.290 2.602 2.602 2.602 . 0 0 "[ ]" 1
1534 1 86 PRO HA 1 87 PRO HD3 . . 3.060 2.181 2.181 2.181 . 0 0 "[ ]" 1
1535 1 86 PRO HA 1 87 PRO QG . . 4.870 4.081 4.081 4.081 . 0 0 "[ ]" 1
1536 1 86 PRO HB3 1 87 PRO HD2 . . 3.820 2.458 2.458 2.458 . 0 0 "[ ]" 1
1537 1 86 PRO HB3 1 87 PRO HD3 . . 4.210 3.481 3.481 3.481 . 0 0 "[ ]" 1
1538 1 86 PRO HD2 1 87 PRO HD3 . . 5.500 5.782 5.782 5.782 0.282 1 0 "[ ]" 1
1539 1 87 PRO HA 1 88 TRP HA . . 5.100 4.406 4.406 4.406 . 0 0 "[ ]" 1
1540 1 87 PRO HA 1 88 TRP HB2 . . 5.220 4.796 4.796 4.796 . 0 0 "[ ]" 1
1541 1 87 PRO HA 1 89 THR H . . 5.470 5.433 5.433 5.433 . 0 0 "[ ]" 1
1542 1 87 PRO QB 1 88 TRP H . . 4.260 3.297 3.297 3.297 . 0 0 "[ ]" 1
1543 1 88 TRP H 1 88 TRP HB2 . . 4.140 2.899 2.899 2.899 . 0 0 "[ ]" 1
1544 1 88 TRP H 1 88 TRP HB3 . . 4.110 2.102 2.102 2.102 . 0 0 "[ ]" 1
1545 1 88 TRP H 1 89 THR HA . . 5.500 4.753 4.753 4.753 . 0 0 "[ ]" 1
1546 1 88 TRP HA 1 88 TRP HD1 . . 4.210 3.138 3.138 3.138 . 0 0 "[ ]" 1
1547 1 88 TRP HA 1 88 TRP HE3 . . 4.920 5.006 5.006 5.006 0.086 1 0 "[ ]" 1
1548 1 88 TRP HA 1 89 THR HA . . 4.970 5.046 5.046 5.046 0.076 1 0 "[ ]" 1
1549 1 88 TRP HB2 1 89 THR H . . 5.500 3.559 3.559 3.559 . 0 0 "[ ]" 1
1550 1 88 TRP HB3 1 89 THR H . . 4.040 2.482 2.482 2.482 . 0 0 "[ ]" 1
1551 1 88 TRP HD1 1 89 THR H . . 5.010 3.843 3.843 3.843 . 0 0 "[ ]" 1
1552 1 88 TRP HD1 1 92 ARG HB3 . . 5.500 4.750 4.750 4.750 . 0 0 "[ ]" 1
1553 1 88 TRP HD1 1 92 ARG HD3 . . 3.870 3.690 3.690 3.690 . 0 0 "[ ]" 1
1554 1 88 TRP HD1 1 92 ARG HG3 . . 4.730 3.090 3.090 3.090 . 0 0 "[ ]" 1
1555 1 88 TRP HE1 1 89 THR H . . 5.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
1556 1 88 TRP HE1 1 92 ARG HB2 . . 4.990 2.455 2.455 2.455 . 0 0 "[ ]" 1
1557 1 88 TRP HE1 1 92 ARG HB3 . . 5.080 3.043 3.043 3.043 . 0 0 "[ ]" 1
1558 1 88 TRP HE1 1 92 ARG HD2 . . 5.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
1559 1 88 TRP HE1 1 92 ARG HD3 . . 5.500 3.256 3.256 3.256 . 0 0 "[ ]" 1
1560 1 88 TRP HE1 1 92 ARG HG2 . . 5.500 4.223 4.223 4.223 . 0 0 "[ ]" 1
1561 1 88 TRP HE1 1 93 MET QG . . 5.500 4.878 4.878 4.878 . 0 0 "[ ]" 1
1562 1 88 TRP HE3 1 89 THR HA . . 5.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
1563 1 88 TRP HE3 1 89 THR MG . . 5.500 5.870 5.870 5.870 0.370 1 0 "[ ]" 1
1564 1 88 TRP HH2 1 89 THR MG . . 5.500 6.137 6.137 6.137 0.637 1 1 [+] 1
1565 1 88 TRP HH2 1 90 PRO HA . . 3.920 2.437 2.437 2.437 . 0 0 "[ ]" 1
1566 1 88 TRP HH2 1 90 PRO HB2 . . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
1567 1 88 TRP HH2 1 90 PRO HB3 . . 4.910 3.853 3.853 3.853 . 0 0 "[ ]" 1
1568 1 88 TRP HH2 1 91 GLU H . . 5.500 5.585 5.585 5.585 0.085 1 0 "[ ]" 1
1569 1 88 TRP HH2 1 92 ARG HB2 . . 5.500 4.540 4.540 4.540 . 0 0 "[ ]" 1
1570 1 88 TRP HH2 1 92 ARG HG3 . . 5.500 5.579 5.579 5.579 0.079 1 0 "[ ]" 1
1571 1 88 TRP HH2 1 93 MET H . . 5.500 4.118 4.118 4.118 . 0 0 "[ ]" 1
1572 1 88 TRP HH2 1 93 MET ME . . 4.950 2.678 2.678 2.678 . 0 0 "[ ]" 1
1573 1 88 TRP HH2 1 93 MET HG3 . . 4.600 2.451 2.451 2.451 . 0 0 "[ ]" 1
1574 1 88 TRP HZ2 1 89 THR H . . 5.140 5.175 5.175 5.175 0.035 1 0 "[ ]" 1
1575 1 88 TRP HZ2 1 90 PRO HA . . 4.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
1576 1 88 TRP HZ2 1 93 MET HA . . 5.500 4.350 4.350 4.350 . 0 0 "[ ]" 1
1577 1 88 TRP HZ2 1 93 MET HG3 . . 3.370 2.583 2.583 2.583 . 0 0 "[ ]" 1
1578 1 88 TRP HZ3 1 89 THR HA . . 5.350 5.740 5.740 5.740 0.390 1 0 "[ ]" 1
1579 1 88 TRP HZ3 1 90 PRO HA . . 5.070 2.610 2.610 2.610 . 0 0 "[ ]" 1
1580 1 88 TRP HZ3 1 90 PRO HD3 . . 5.500 4.103 4.103 4.103 . 0 0 "[ ]" 1
1581 1 88 TRP HZ3 1 90 PRO HG3 . . 5.330 4.974 4.974 4.974 . 0 0 "[ ]" 1
1582 1 89 THR H 1 89 THR MG . . 4.150 4.077 4.077 4.077 . 0 0 "[ ]" 1
1583 1 89 THR H 1 90 PRO HD2 . . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
1584 1 89 THR H 1 90 PRO QD . . 5.430 3.363 3.363 3.363 . 0 0 "[ ]" 1
1585 1 89 THR H 1 91 GLU H . . 5.500 5.108 5.108 5.108 . 0 0 "[ ]" 1
1586 1 89 THR H 1 92 ARG H . . 5.100 4.916 4.916 4.916 . 0 0 "[ ]" 1
1587 1 89 THR H 1 92 ARG HB2 . . 5.100 5.080 5.080 5.080 . 0 0 "[ ]" 1
1588 1 89 THR H 1 92 ARG HG3 . . 4.010 3.668 3.668 3.668 . 0 0 "[ ]" 1
1589 1 89 THR HA 1 90 PRO HD2 . . 3.290 2.211 2.211 2.211 . 0 0 "[ ]" 1
1590 1 89 THR HA 1 90 PRO HD3 . . 4.010 2.711 2.711 2.711 . 0 0 "[ ]" 1
1591 1 89 THR HB 1 91 GLU H . . 4.110 4.151 4.151 4.151 0.041 1 0 "[ ]" 1
1592 1 89 THR HB 1 92 ARG HA . . 4.910 4.832 4.832 4.832 . 0 0 "[ ]" 1
1593 1 89 THR MG 1 90 PRO HD2 . . 4.830 2.640 2.640 2.640 . 0 0 "[ ]" 1
1594 1 89 THR MG 1 90 PRO HD3 . . 5.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
1595 1 89 THR MG 1 90 PRO HG2 . . 5.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
1596 1 89 THR MG 1 91 GLU H . . 5.500 1.997 1.997 1.997 . 0 0 "[ ]" 1
1597 1 89 THR MG 1 92 ARG H . . 4.390 2.862 2.862 2.862 . 0 0 "[ ]" 1
1598 1 89 THR MG 1 92 ARG HD2 . . 5.500 4.467 4.467 4.467 . 0 0 "[ ]" 1
1599 1 89 THR MG 1 92 ARG HG3 . . 4.020 3.726 3.726 3.726 . 0 0 "[ ]" 1
1600 1 90 PRO HA 1 92 ARG H . . 4.410 3.551 3.551 3.551 . 0 0 "[ ]" 1
1601 1 90 PRO HA 1 93 MET H . . 4.390 4.263 4.263 4.263 . 0 0 "[ ]" 1
1602 1 90 PRO HA 1 93 MET ME . . 3.880 3.423 3.423 3.423 . 0 0 "[ ]" 1
1603 1 90 PRO HA 1 93 MET HG3 . . 3.650 3.730 3.730 3.730 0.080 1 0 "[ ]" 1
1604 1 90 PRO QD 1 91 GLU H . . 4.220 2.969 2.969 2.969 . 0 0 "[ ]" 1
1605 1 90 PRO HD2 1 91 GLU H . . 4.380 3.049 3.049 3.049 . 0 0 "[ ]" 1
1606 1 90 PRO HD2 1 91 GLU HG2 . . 5.500 5.502 5.502 5.502 0.002 1 0 "[ ]" 1
1607 1 90 PRO HG3 1 91 GLU H . . 5.290 4.286 4.286 4.286 . 0 0 "[ ]" 1
1608 1 91 GLU H 1 91 GLU HB2 . . 3.440 3.412 3.412 3.412 . 0 0 "[ ]" 1
1609 1 91 GLU H 1 91 GLU HB3 . . 3.940 2.087 2.087 2.087 . 0 0 "[ ]" 1
1610 1 91 GLU H 1 91 GLU HG2 . . 4.160 3.101 3.101 3.101 . 0 0 "[ ]" 1
1611 1 91 GLU H 1 91 GLU HG3 . . 4.130 4.220 4.220 4.220 0.090 1 0 "[ ]" 1
1612 1 91 GLU HA 1 91 GLU HG2 . . 3.590 3.637 3.637 3.637 0.047 1 0 "[ ]" 1
1613 1 91 GLU HA 1 91 GLU HG3 . . 4.170 3.566 3.566 3.566 . 0 0 "[ ]" 1
1614 1 91 GLU HA 1 93 MET H . . 4.360 3.723 3.723 3.723 . 0 0 "[ ]" 1
1615 1 91 GLU HB3 1 92 ARG H . . 4.850 4.106 4.106 4.106 . 0 0 "[ ]" 1
1616 1 91 GLU HB3 1 92 ARG HA . . 5.430 5.630 5.630 5.630 0.200 1 0 "[ ]" 1
1617 1 91 GLU HG2 1 92 ARG HA . . 5.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
1618 1 92 ARG H 1 92 ARG HB2 . . 3.270 2.482 2.482 2.482 . 0 0 "[ ]" 1
1619 1 92 ARG H 1 92 ARG HB3 . . 3.790 3.606 3.606 3.606 . 0 0 "[ ]" 1
1620 1 92 ARG H 1 92 ARG HD2 . . 5.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
1621 1 92 ARG H 1 92 ARG HG2 . . 3.930 2.450 2.450 2.450 . 0 0 "[ ]" 1
1622 1 92 ARG H 1 92 ARG HG3 . . 3.950 2.956 2.956 2.956 . 0 0 "[ ]" 1
1623 1 92 ARG H 1 93 MET H . . 3.390 2.575 2.575 2.575 . 0 0 "[ ]" 1
1624 1 92 ARG H 1 93 MET QB . . 5.500 4.595 4.595 4.595 . 0 0 "[ ]" 1
1625 1 92 ARG H 1 93 MET QG . . 5.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
1626 1 92 ARG HA 1 92 ARG HD3 . . 3.770 3.845 3.845 3.845 0.075 1 0 "[ ]" 1
1627 1 92 ARG HA 1 92 ARG HE . . 5.500 3.296 3.296 3.296 . 0 0 "[ ]" 1
1628 1 92 ARG HA 1 92 ARG HG2 . . 4.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
1629 1 92 ARG HA 1 92 ARG HG3 . . 3.450 3.790 3.790 3.790 0.340 1 0 "[ ]" 1
1630 1 92 ARG HB2 1 93 MET H . . 4.700 2.919 2.919 2.919 . 0 0 "[ ]" 1
1631 1 92 ARG HB3 1 92 ARG HD2 . . 4.230 3.535 3.535 3.535 . 0 0 "[ ]" 1
1632 1 92 ARG HB3 1 92 ARG HD3 . . 4.150 2.219 2.219 2.219 . 0 0 "[ ]" 1
1633 1 92 ARG HB3 1 92 ARG HE . . 5.380 3.794 3.794 3.794 . 0 0 "[ ]" 1
1634 1 92 ARG HE 1 92 ARG HG2 . . 4.160 2.194 2.194 2.194 . 0 0 "[ ]" 1
1635 1 93 MET H 1 93 MET QB . . 3.220 2.452 2.452 2.452 . 0 0 "[ ]" 1
1636 1 93 MET H 1 93 MET ME . . 4.400 3.816 3.816 3.816 . 0 0 "[ ]" 1
1637 1 93 MET H 1 93 MET QG . . 3.620 2.223 2.223 2.223 . 0 0 "[ ]" 1
1638 1 93 MET H 1 93 MET HG3 . . 3.430 2.272 2.272 2.272 . 0 0 "[ ]" 1
1639 1 93 MET H 1 94 SER H . . 5.290 4.634 4.634 4.634 . 0 0 "[ ]" 1
1640 1 93 MET HA 1 93 MET HG2 . . 3.750 2.431 2.431 2.431 . 0 0 "[ ]" 1
1641 1 93 MET HA 1 94 SER H . . 3.010 2.473 2.473 2.473 . 0 0 "[ ]" 1
1642 1 93 MET HA 1 97 LEU HB2 . . 4.650 4.578 4.578 4.578 . 0 0 "[ ]" 1
1643 1 93 MET QB 1 93 MET ME . . 3.350 2.324 2.324 2.324 . 0 0 "[ ]" 1
1644 1 93 MET QB 1 94 SER H . . 3.770 2.244 2.244 2.244 . 0 0 "[ ]" 1
1645 1 93 MET QB 1 94 SER HB2 . . 5.290 3.893 3.893 3.893 . 0 0 "[ ]" 1
1646 1 93 MET QB 1 97 LEU H . . 4.930 4.368 4.368 4.368 . 0 0 "[ ]" 1
1647 1 93 MET QB 1 97 LEU HB2 . . 3.670 2.468 2.468 2.468 . 0 0 "[ ]" 1
1648 1 93 MET QB 1 97 LEU HB3 . . 4.140 2.605 2.605 2.605 . 0 0 "[ ]" 1
1649 1 93 MET QB 1 97 LEU QD . . 4.250 2.303 2.303 2.303 . 0 0 "[ ]" 1
1650 1 93 MET QB 1 98 ARG H . . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
1651 1 93 MET QB 1 98 ARG HG2 . . 4.530 3.656 3.656 3.656 . 0 0 "[ ]" 1
1652 1 93 MET ME 1 93 MET HG3 . . 3.590 2.450 2.450 2.450 . 0 0 "[ ]" 1
1653 1 93 MET ME 1 94 SER H . . 5.500 4.949 4.949 4.949 . 0 0 "[ ]" 1
1654 1 93 MET ME 1 97 LEU HB3 . . 3.470 2.702 2.702 2.702 . 0 0 "[ ]" 1
1655 1 93 MET ME 1 97 LEU QD . . 4.140 3.103 3.103 3.103 . 0 0 "[ ]" 1
1656 1 93 MET ME 1 98 ARG H . . 5.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
1657 1 93 MET ME 1 98 ARG HA . . 3.790 3.325 3.325 3.325 . 0 0 "[ ]" 1
1658 1 93 MET ME 1 101 PHE H . . 5.320 4.207 4.207 4.207 . 0 0 "[ ]" 1
1659 1 93 MET ME 1 101 PHE HB2 . . 4.760 2.763 2.763 2.763 . 0 0 "[ ]" 1
1660 1 93 MET ME 1 101 PHE QD . . 4.630 3.132 3.132 3.132 . 0 0 "[ ]" 1
1661 1 93 MET ME 1 101 PHE QE . . 5.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
1662 1 93 MET QG 1 94 SER H . . 5.240 3.864 3.864 3.864 . 0 0 "[ ]" 1
1663 1 93 MET HG2 1 94 SER H . . 5.080 4.045 4.045 4.045 . 0 0 "[ ]" 1
1664 1 93 MET HG2 1 97 LEU QD . . 4.770 3.429 3.429 3.429 . 0 0 "[ ]" 1
1665 1 94 SER H 1 94 SER HB2 . . 3.260 2.613 2.613 2.613 . 0 0 "[ ]" 1
1666 1 94 SER H 1 94 SER HB3 . . 3.650 3.550 3.550 3.550 . 0 0 "[ ]" 1
1667 1 94 SER H 1 95 PRO QD . . 5.500 4.422 4.422 4.422 . 0 0 "[ ]" 1
1668 1 94 SER H 1 97 LEU HB2 . . 4.890 2.768 2.768 2.768 . 0 0 "[ ]" 1
1669 1 94 SER H 1 97 LEU HB3 . . 5.090 4.077 4.077 4.077 . 0 0 "[ ]" 1
1670 1 94 SER H 1 97 LEU QD . . 4.460 2.484 2.484 2.484 . 0 0 "[ ]" 1
1671 1 94 SER HA 1 95 PRO QD . . 2.960 2.173 2.173 2.173 . 0 0 "[ ]" 1
1672 1 94 SER HA 1 95 PRO HG2 . . 5.190 4.551 4.551 4.551 . 0 0 "[ ]" 1
1673 1 94 SER HA 1 96 GLU H . . 4.230 4.256 4.256 4.256 0.026 1 0 "[ ]" 1
1674 1 94 SER HA 1 97 LEU H . . 5.150 4.442 4.442 4.442 . 0 0 "[ ]" 1
1675 1 94 SER HB2 1 96 GLU H . . 4.700 3.296 3.296 3.296 . 0 0 "[ ]" 1
1676 1 94 SER HB2 1 97 LEU HG . . 4.750 3.078 3.078 3.078 . 0 0 "[ ]" 1
1677 1 94 SER HB3 1 95 PRO HB3 . . 5.500 5.568 5.568 5.568 0.068 1 0 "[ ]" 1
1678 1 94 SER HB3 1 95 PRO QD . . 3.300 2.165 2.165 2.165 . 0 0 "[ ]" 1
1679 1 94 SER HB3 1 96 GLU H . . 4.190 2.855 2.855 2.855 . 0 0 "[ ]" 1
1680 1 94 SER HB3 1 97 LEU H . . 4.590 3.232 3.232 3.232 . 0 0 "[ ]" 1
1681 1 94 SER HB3 1 97 LEU HB2 . . 5.100 4.064 4.064 4.064 . 0 0 "[ ]" 1
1682 1 95 PRO HA 1 98 ARG H . . 4.040 3.295 3.295 3.295 . 0 0 "[ ]" 1
1683 1 95 PRO HA 1 98 ARG HB2 . . 3.150 2.731 2.731 2.731 . 0 0 "[ ]" 1
1684 1 95 PRO HA 1 98 ARG HD2 . . 4.070 2.732 2.732 2.732 . 0 0 "[ ]" 1
1685 1 95 PRO HA 1 98 ARG HD3 . . 4.410 4.233 4.233 4.233 . 0 0 "[ ]" 1
1686 1 95 PRO HA 1 98 ARG HG2 . . 4.800 4.571 4.571 4.571 . 0 0 "[ ]" 1
1687 1 95 PRO HA 1 98 ARG HG3 . . 4.840 3.238 3.238 3.238 . 0 0 "[ ]" 1
1688 1 95 PRO HA 1 99 GLU H . . 5.100 4.294 4.294 4.294 . 0 0 "[ ]" 1
1689 1 95 PRO HB2 1 96 GLU H . . 3.970 3.444 3.444 3.444 . 0 0 "[ ]" 1
1690 1 95 PRO QD 1 96 GLU H . . 4.180 2.846 2.846 2.846 . 0 0 "[ ]" 1
1691 1 95 PRO QD 1 97 LEU H . . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
1692 1 95 PRO HG3 1 96 GLU H . . 4.950 4.013 4.013 4.013 . 0 0 "[ ]" 1
1693 1 96 GLU H 1 96 GLU HB2 . . 3.370 2.172 2.172 2.172 . 0 0 "[ ]" 1
1694 1 96 GLU H 1 96 GLU HB3 . . 3.690 2.678 2.678 2.678 . 0 0 "[ ]" 1
1695 1 96 GLU H 1 96 GLU QG . . 4.070 3.837 3.837 3.837 . 0 0 "[ ]" 1
1696 1 96 GLU H 1 97 LEU H . . 3.720 2.612 2.612 2.612 . 0 0 "[ ]" 1
1697 1 96 GLU H 1 97 LEU HA . . 5.160 5.202 5.202 5.202 0.042 1 0 "[ ]" 1
1698 1 96 GLU H 1 98 ARG H . . 5.350 4.011 4.011 4.011 . 0 0 "[ ]" 1
1699 1 96 GLU HA 1 96 GLU QG . . 3.260 2.285 2.285 2.285 . 0 0 "[ ]" 1
1700 1 96 GLU HA 1 98 ARG H . . 4.920 4.271 4.271 4.271 . 0 0 "[ ]" 1
1701 1 96 GLU HA 1 99 GLU H . . 3.910 3.715 3.715 3.715 . 0 0 "[ ]" 1
1702 1 96 GLU HB2 1 97 LEU H . . 4.190 3.751 3.751 3.751 . 0 0 "[ ]" 1
1703 1 96 GLU QG 1 97 LEU H . . 4.310 4.558 4.558 4.558 0.248 1 0 "[ ]" 1
1704 1 97 LEU H 1 97 LEU HB2 . . 3.160 2.258 2.258 2.258 . 0 0 "[ ]" 1
1705 1 97 LEU H 1 97 LEU HB3 . . 3.880 3.568 3.568 3.568 . 0 0 "[ ]" 1
1706 1 97 LEU H 1 97 LEU QD . . 3.940 3.473 3.473 3.473 . 0 0 "[ ]" 1
1707 1 97 LEU H 1 97 LEU HG . . 3.480 3.042 3.042 3.042 . 0 0 "[ ]" 1
1708 1 97 LEU H 1 98 ARG H . . 3.340 2.634 2.634 2.634 . 0 0 "[ ]" 1
1709 1 97 LEU H 1 99 GLU H . . 4.630 4.533 4.533 4.533 . 0 0 "[ ]" 1
1710 1 97 LEU H 1 100 LYS H . . 4.330 4.630 4.630 4.630 0.300 1 0 "[ ]" 1
1711 1 97 LEU HA 1 97 LEU QD . . 3.170 2.010 2.010 2.010 . 0 0 "[ ]" 1
1712 1 97 LEU HA 1 97 LEU HG . . 4.080 2.648 2.648 2.648 . 0 0 "[ ]" 1
1713 1 97 LEU HA 1 99 GLU H . . 5.350 4.632 4.632 4.632 . 0 0 "[ ]" 1
1714 1 97 LEU HA 1 100 LYS H . . 4.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
1715 1 97 LEU HA 1 100 LYS HB2 . . 3.610 3.030 3.030 3.030 . 0 0 "[ ]" 1
1716 1 97 LEU HA 1 100 LYS HB3 . . 3.070 2.130 2.130 2.130 . 0 0 "[ ]" 1
1717 1 97 LEU HA 1 100 LYS HD2 . . 5.400 4.641 4.641 4.641 . 0 0 "[ ]" 1
1718 1 97 LEU HA 1 100 LYS HD3 . . 5.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
1719 1 97 LEU HA 1 100 LYS QE . . 5.430 4.947 4.947 4.947 . 0 0 "[ ]" 1
1720 1 97 LEU HA 1 101 PHE H . . 4.460 3.484 3.484 3.484 . 0 0 "[ ]" 1
1721 1 97 LEU HB2 1 98 ARG H . . 4.190 3.077 3.077 3.077 . 0 0 "[ ]" 1
1722 1 97 LEU HB2 1 98 ARG HA . . 5.500 4.756 4.756 4.756 . 0 0 "[ ]" 1
1723 1 97 LEU HB2 1 101 PHE QD . . 4.840 4.954 4.954 4.954 0.114 1 0 "[ ]" 1
1724 1 97 LEU HB3 1 98 ARG H . . 4.540 3.517 3.517 3.517 . 0 0 "[ ]" 1
1725 1 97 LEU HB3 1 101 PHE QD . . 4.200 3.425 3.425 3.425 . 0 0 "[ ]" 1
1726 1 97 LEU QD 1 98 ARG H . . 5.180 4.277 4.277 4.277 . 0 0 "[ ]" 1
1727 1 97 LEU QD 1 101 PHE QD . . 4.340 2.188 2.188 2.188 . 0 0 "[ ]" 1
1728 1 97 LEU QD 1 101 PHE QE . . 3.680 2.157 2.157 2.157 . 0 0 "[ ]" 1
1729 1 97 LEU HG 1 100 LYS QE . . 5.500 5.584 5.584 5.584 0.084 1 0 "[ ]" 1
1730 1 98 ARG H 1 98 ARG HB2 . . 3.440 2.368 2.368 2.368 . 0 0 "[ ]" 1
1731 1 98 ARG H 1 98 ARG HD2 . . 5.060 4.135 4.135 4.135 . 0 0 "[ ]" 1
1732 1 98 ARG H 1 98 ARG HD3 . . 5.340 5.022 5.022 5.022 . 0 0 "[ ]" 1
1733 1 98 ARG H 1 98 ARG HG2 . . 4.310 3.727 3.727 3.727 . 0 0 "[ ]" 1
1734 1 98 ARG H 1 98 ARG HG3 . . 3.980 2.460 2.460 2.460 . 0 0 "[ ]" 1
1735 1 98 ARG H 1 99 GLU H . . 3.720 2.780 2.780 2.780 . 0 0 "[ ]" 1
1736 1 98 ARG H 1 100 LYS H . . 5.500 3.979 3.979 3.979 . 0 0 "[ ]" 1
1737 1 98 ARG H 1 100 LYS QG . . 5.500 6.632 6.632 6.632 1.132 1 1 [+] 1
1738 1 98 ARG HA 1 98 ARG HE . . 5.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
1739 1 98 ARG HA 1 98 ARG HG2 . . 3.660 2.529 2.529 2.529 . 0 0 "[ ]" 1
1740 1 98 ARG HA 1 101 PHE H . . 4.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
1741 1 98 ARG HA 1 101 PHE HB2 . . 5.070 3.462 3.462 3.462 . 0 0 "[ ]" 1
1742 1 98 ARG HA 1 101 PHE HB3 . . 5.180 4.893 4.893 4.893 . 0 0 "[ ]" 1
1743 1 98 ARG HA 1 103 VAL H . . 4.170 3.196 3.196 3.196 . 0 0 "[ ]" 1
1744 1 98 ARG HA 1 103 VAL MG2 . . 3.630 2.020 2.020 2.020 . 0 0 "[ ]" 1
1745 1 98 ARG HB2 1 99 GLU H . . 3.490 2.397 2.397 2.397 . 0 0 "[ ]" 1
1746 1 98 ARG HB3 1 98 ARG HD2 . . 3.930 2.615 2.615 2.615 . 0 0 "[ ]" 1
1747 1 98 ARG HB3 1 98 ARG HD3 . . 4.100 3.031 3.031 3.031 . 0 0 "[ ]" 1
1748 1 98 ARG HB3 1 98 ARG HE . . 5.310 4.583 4.583 4.583 . 0 0 "[ ]" 1
1749 1 98 ARG HB3 1 103 VAL MG2 . . 3.380 2.846 2.846 2.846 . 0 0 "[ ]" 1
1750 1 98 ARG HD2 1 99 GLU H . . 5.500 4.610 4.610 4.610 . 0 0 "[ ]" 1
1751 1 98 ARG HD2 1 103 VAL MG2 . . 5.200 4.480 4.480 4.480 . 0 0 "[ ]" 1
1752 1 98 ARG HD3 1 99 GLU H . . 5.500 5.818 5.818 5.818 0.318 1 0 "[ ]" 1
1753 1 98 ARG HD3 1 103 VAL MG2 . . 4.900 3.828 3.828 3.828 . 0 0 "[ ]" 1
1754 1 98 ARG HG2 1 103 VAL H . . 5.500 4.718 4.718 4.718 . 0 0 "[ ]" 1
1755 1 98 ARG HG2 1 103 VAL MG2 . . 3.890 2.157 2.157 2.157 . 0 0 "[ ]" 1
1756 1 98 ARG HG3 1 103 VAL MG2 . . 5.270 3.471 3.471 3.471 . 0 0 "[ ]" 1
1757 1 99 GLU H 1 99 GLU QB . . 2.890 2.311 2.311 2.311 . 0 0 "[ ]" 1
1758 1 99 GLU H 1 99 GLU HG2 . . 4.060 3.674 3.674 3.674 . 0 0 "[ ]" 1
1759 1 99 GLU H 1 99 GLU HG3 . . 4.190 2.387 2.387 2.387 . 0 0 "[ ]" 1
1760 1 99 GLU H 1 100 LYS H . . 3.540 2.811 2.811 2.811 . 0 0 "[ ]" 1
1761 1 99 GLU HA 1 99 GLU QB . . 2.590 2.445 2.445 2.445 . 0 0 "[ ]" 1
1762 1 99 GLU HA 1 99 GLU HG2 . . 3.580 2.463 2.463 2.463 . 0 0 "[ ]" 1
1763 1 99 GLU QB 1 100 LYS H . . 3.510 2.649 2.649 2.649 . 0 0 "[ ]" 1
1764 1 99 GLU QB 1 101 PHE H . . 5.500 5.175 5.175 5.175 . 0 0 "[ ]" 1
1765 1 99 GLU HG2 1 100 LYS H . . 5.080 5.122 5.122 5.122 0.042 1 0 "[ ]" 1
1766 1 100 LYS H 1 100 LYS HB2 . . 3.410 2.554 2.554 2.554 . 0 0 "[ ]" 1
1767 1 100 LYS H 1 100 LYS HB3 . . 3.240 2.568 2.568 2.568 . 0 0 "[ ]" 1
1768 1 100 LYS H 1 100 LYS HD3 . . 5.500 4.957 4.957 4.957 . 0 0 "[ ]" 1
1769 1 100 LYS H 1 100 LYS QG . . 4.960 3.978 3.978 3.978 . 0 0 "[ ]" 1
1770 1 100 LYS H 1 101 PHE H . . 3.510 3.058 3.058 3.058 . 0 0 "[ ]" 1
1771 1 100 LYS H 1 101 PHE HB2 . . 5.500 5.030 5.030 5.030 . 0 0 "[ ]" 1
1772 1 100 LYS HA 1 100 LYS HD2 . . 4.750 4.264 4.264 4.264 . 0 0 "[ ]" 1
1773 1 100 LYS HA 1 100 LYS HD3 . . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
1774 1 100 LYS HA 1 100 LYS QG . . 3.800 2.375 2.375 2.375 . 0 0 "[ ]" 1
1775 1 100 LYS HA 1 101 PHE QD . . 5.450 5.004 5.004 5.004 . 0 0 "[ ]" 1
1776 1 100 LYS HB3 1 101 PHE H . . 3.810 2.290 2.290 2.290 . 0 0 "[ ]" 1
1777 1 100 LYS HB3 1 101 PHE QE . . 5.030 4.310 4.310 4.310 . 0 0 "[ ]" 1
1778 1 100 LYS HD2 1 101 PHE QE . . 4.820 4.880 4.880 4.880 0.060 1 0 "[ ]" 1
1779 1 100 LYS HD3 1 101 PHE QE . . 4.810 3.367 3.367 3.367 . 0 0 "[ ]" 1
1780 1 101 PHE H 1 101 PHE HB2 . . 3.830 2.198 2.198 2.198 . 0 0 "[ ]" 1
1781 1 101 PHE H 1 101 PHE HB3 . . 3.640 3.505 3.505 3.505 . 0 0 "[ ]" 1
1782 1 101 PHE H 1 101 PHE QD . . 4.370 2.406 2.406 2.406 . 0 0 "[ ]" 1
1783 1 101 PHE H 1 101 PHE QE . . 5.370 4.749 4.749 4.749 . 0 0 "[ ]" 1
1784 1 101 PHE HA 1 101 PHE QD . . 3.580 3.026 3.026 3.026 . 0 0 "[ ]" 1
1785 1 101 PHE HA 1 103 VAL H . . 4.920 5.627 5.627 5.627 0.707 1 1 [+] 1
1786 1 101 PHE HA 1 103 VAL MG2 . . 5.500 5.014 5.014 5.014 . 0 0 "[ ]" 1
1787 1 101 PHE HB2 1 102 GLY H . . 4.350 2.879 2.879 2.879 . 0 0 "[ ]" 1
1788 1 101 PHE HB2 1 103 VAL H . . 5.440 4.197 4.197 4.197 . 0 0 "[ ]" 1
1789 1 101 PHE HB2 1 103 VAL MG2 . . 4.330 2.820 2.820 2.820 . 0 0 "[ ]" 1
1790 1 101 PHE HB3 1 102 GLY H . . 4.900 3.325 3.325 3.325 . 0 0 "[ ]" 1
1791 1 101 PHE HB3 1 103 VAL H . . 5.140 4.694 4.694 4.694 . 0 0 "[ ]" 1
1792 1 101 PHE HB3 1 103 VAL MG2 . . 4.170 3.260 3.260 3.260 . 0 0 "[ ]" 1
1793 1 102 GLY H 1 103 VAL H . . 3.700 2.079 2.079 2.079 . 0 0 "[ ]" 1
1794 1 102 GLY H 1 103 VAL HB . . 5.500 5.437 5.437 5.437 . 0 0 "[ ]" 1
1795 1 102 GLY H 1 103 VAL MG1 . . 5.440 3.937 3.937 3.937 . 0 0 "[ ]" 1
1796 1 102 GLY H 1 103 VAL MG2 . . 5.250 2.900 2.900 2.900 . 0 0 "[ ]" 1
1797 1 102 GLY QA 1 103 VAL H . . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
1798 1 102 GLY QA 1 103 VAL HB . . 5.500 5.583 5.583 5.583 0.083 1 0 "[ ]" 1
1799 1 102 GLY QA 1 103 VAL MG2 . . 4.940 4.017 4.017 4.017 . 0 0 "[ ]" 1
1800 1 103 VAL H 1 103 VAL HB . . 4.060 3.867 3.867 3.867 . 0 0 "[ ]" 1
1801 1 103 VAL H 1 103 VAL MG1 . . 3.780 3.329 3.329 3.329 . 0 0 "[ ]" 1
1802 1 103 VAL H 1 103 VAL MG2 . . 3.670 2.404 2.404 2.404 . 0 0 "[ ]" 1
1803 1 103 VAL HA 1 103 VAL MG2 . . 3.360 3.260 3.260 3.260 . 0 0 "[ ]" 1
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