NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551692 |
2llf   |
18046 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2llf
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 824
_Distance_constraint_stats_list.Viol_count 903
_Distance_constraint_stats_list.Viol_total 953.248
_Distance_constraint_stats_list.Viol_max 0.482
_Distance_constraint_stats_list.Viol_rms 0.0487
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.1056
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.111 0.021 7 0 "[ . 1]"
1 3 LEU 3.206 0.235 8 0 "[ . 1]"
1 4 PHE 5.222 0.185 8 0 "[ . 1]"
1 5 GLU 6.023 0.343 3 0 "[ . 1]"
1 6 CYS 13.824 0.482 7 0 "[ . 1]"
1 7 SER 3.352 0.283 5 0 "[ . 1]"
1 8 ASN 0.911 0.084 3 0 "[ . 1]"
1 9 LYS 0.000 0.000 . 0 "[ . 1]"
1 10 THR 0.000 0.000 . 0 "[ . 1]"
1 11 GLY 0.000 0.000 . 0 "[ . 1]"
1 12 ARG 0.375 0.031 9 0 "[ . 1]"
1 13 PHE 9.056 0.482 7 0 "[ . 1]"
1 14 LEU 6.293 0.303 5 0 "[ . 1]"
1 15 ALA 1.407 0.087 5 0 "[ . 1]"
1 16 THR 0.965 0.070 1 0 "[ . 1]"
1 17 GLU 0.662 0.091 9 0 "[ . 1]"
1 18 ILE 0.689 0.100 6 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.004 0.004 5 0 "[ . 1]"
1 21 PHE 6.653 0.316 5 0 "[ . 1]"
1 22 THR 0.000 0.000 . 0 "[ . 1]"
1 23 GLN 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 ASP 3.840 0.316 5 0 "[ . 1]"
1 26 LEU 0.000 0.000 . 0 "[ . 1]"
1 27 ASP 0.139 0.033 2 0 "[ . 1]"
1 28 GLU 0.000 0.000 . 0 "[ . 1]"
1 29 ASN 1.046 0.063 7 0 "[ . 1]"
1 30 ASP 4.606 0.191 10 0 "[ . 1]"
1 31 VAL 3.908 0.189 5 0 "[ . 1]"
1 32 TYR 1.782 0.157 1 0 "[ . 1]"
1 33 LEU 0.974 0.150 9 0 "[ . 1]"
1 34 LEU 2.026 0.235 8 0 "[ . 1]"
1 35 ASP 1.051 0.148 10 0 "[ . 1]"
1 36 THR 0.071 0.029 1 0 "[ . 1]"
1 37 TRP 3.780 0.256 7 0 "[ . 1]"
1 38 ASP 0.921 0.209 4 0 "[ . 1]"
1 39 GLN 0.000 0.000 . 0 "[ . 1]"
1 40 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 PHE 0.561 0.132 5 0 "[ . 1]"
1 42 PHE 1.017 0.098 5 0 "[ . 1]"
1 43 TRP 1.693 0.117 3 0 "[ . 1]"
1 44 ILE 0.952 0.089 9 0 "[ . 1]"
1 45 GLY 0.315 0.054 10 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.757 0.062 10 0 "[ . 1]"
1 48 ALA 0.014 0.008 7 0 "[ . 1]"
1 49 ASN 4.153 0.277 2 0 "[ . 1]"
1 50 GLU 2.637 0.277 2 0 "[ . 1]"
1 51 SER 0.000 0.000 . 0 "[ . 1]"
1 52 GLU 2.398 0.179 4 0 "[ . 1]"
1 53 LYS 3.800 0.179 4 0 "[ . 1]"
1 54 GLU 1.886 0.120 8 0 "[ . 1]"
1 55 ALA 0.400 0.043 5 0 "[ . 1]"
1 56 ALA 1.195 0.120 8 0 "[ . 1]"
1 57 ALA 0.085 0.020 4 0 "[ . 1]"
1 58 GLU 0.124 0.020 4 0 "[ . 1]"
1 59 THR 1.522 0.082 9 0 "[ . 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 61 GLN 0.694 0.082 9 0 "[ . 1]"
1 62 GLU 0.131 0.026 4 0 "[ . 1]"
1 63 TYR 1.489 0.084 6 0 "[ . 1]"
1 64 LEU 4.725 0.377 2 0 "[ . 1]"
1 65 ARG 0.000 0.000 . 0 "[ . 1]"
1 66 SER 0.000 0.000 . 0 "[ . 1]"
1 67 HIS 0.000 0.000 . 0 "[ . 1]"
1 71 ARG 0.279 0.040 8 0 "[ . 1]"
1 72 ASP 0.671 0.062 5 0 "[ . 1]"
1 73 LEU 0.412 0.062 5 0 "[ . 1]"
1 74 ASP 0.007 0.007 9 0 "[ . 1]"
1 75 THR 0.026 0.012 8 0 "[ . 1]"
1 76 PRO 0.003 0.002 1 0 "[ . 1]"
1 77 ILE 0.003 0.002 1 0 "[ . 1]"
1 78 ILE 1.152 0.132 5 0 "[ . 1]"
1 79 VAL 0.797 0.063 5 0 "[ . 1]"
1 80 VAL 0.680 0.098 5 0 "[ . 1]"
1 81 LYS 11.148 0.430 5 0 "[ . 1]"
1 82 GLN 0.000 0.000 . 0 "[ . 1]"
1 83 GLY 3.582 0.367 8 0 "[ . 1]"
1 84 PHE 2.232 0.166 8 0 "[ . 1]"
1 85 GLU 0.539 0.065 3 0 "[ . 1]"
1 87 PRO 5.641 0.428 9 0 "[ . 1]"
1 88 THR 8.037 0.428 9 0 "[ . 1]"
1 89 PHE 8.531 0.249 3 0 "[ . 1]"
1 90 THR 0.210 0.031 6 0 "[ . 1]"
1 91 GLY 0.000 0.000 . 0 "[ . 1]"
1 92 TRP 4.999 0.246 6 0 "[ . 1]"
1 93 PHE 0.122 0.031 6 0 "[ . 1]"
1 94 MET 0.574 0.068 4 0 "[ . 1]"
1 95 ALA 0.549 0.068 4 0 "[ . 1]"
1 96 TRP 0.000 0.000 . 0 "[ . 1]"
1 97 ASP 0.000 0.000 . 0 "[ . 1]"
1 98 PRO 0.000 0.000 . 0 "[ . 1]"
1 99 LEU 0.000 0.000 . 0 "[ . 1]"
1 100 CYS 0.000 0.000 . 0 "[ . 1]"
1 101 TRP 1.295 0.084 3 0 "[ . 1]"
1 102 SER 0.802 0.084 3 0 "[ . 1]"
1 103 ASP 0.558 0.058 3 0 "[ . 1]"
1 104 ARG 2.277 0.247 10 0 "[ . 1]"
1 105 LYS 0.239 0.027 10 0 "[ . 1]"
1 106 SER 0.235 0.027 10 0 "[ . 1]"
1 107 TYR 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG H 1 2 ARG QD . . 4.060 2.798 2.108 3.563 . 0 0 "[ . 1]" 1
2 1 2 ARG H 1 2 ARG HD3 . . 4.690 3.061 2.123 4.391 . 0 0 "[ . 1]" 1
3 1 2 ARG H 1 35 ASP H . . 4.240 4.248 4.214 4.261 0.021 7 0 "[ . 1]" 1
4 1 2 ARG HA 1 3 LEU H . . 3.080 2.485 2.203 2.625 . 0 0 "[ . 1]" 1
5 1 2 ARG QB 1 3 LEU H . . 3.480 2.266 2.013 2.941 . 0 0 "[ . 1]" 1
6 1 2 ARG HB3 1 3 LEU H . . 4.150 2.304 2.035 3.050 . 0 0 "[ . 1]" 1
7 1 3 LEU H 1 3 LEU MD2 . . 5.210 4.101 3.996 4.165 . 0 0 "[ . 1]" 1
8 1 3 LEU H 1 18 ILE HB . . 5.500 3.711 3.566 3.884 . 0 0 "[ . 1]" 1
9 1 3 LEU HA 1 3 LEU MD2 . . 3.460 1.998 1.962 2.043 . 0 0 "[ . 1]" 1
10 1 3 LEU HA 1 4 PHE H . . 3.140 2.546 2.518 2.572 . 0 0 "[ . 1]" 1
11 1 3 LEU HA 1 4 PHE QD . . 4.410 3.290 3.217 3.376 . 0 0 "[ . 1]" 1
12 1 3 LEU QB 1 4 PHE H . . 4.310 2.146 2.078 2.212 . 0 0 "[ . 1]" 1
13 1 3 LEU MD1 1 18 ILE HB . . 3.790 3.629 3.607 3.655 . 0 0 "[ . 1]" 1
14 1 3 LEU MD1 1 18 ILE MG . . 3.860 3.119 3.088 3.150 . 0 0 "[ . 1]" 1
15 1 3 LEU MD1 1 21 PHE HB2 . . 3.900 3.081 3.048 3.115 . 0 0 "[ . 1]" 1
16 1 3 LEU MD1 1 21 PHE HB3 . . 4.360 4.040 4.021 4.064 . 0 0 "[ . 1]" 1
17 1 3 LEU MD1 1 21 PHE QD . . 5.090 4.777 4.751 4.806 . 0 0 "[ . 1]" 1
18 1 3 LEU MD2 1 4 PHE H . . 3.670 2.336 2.273 2.432 . 0 0 "[ . 1]" 1
19 1 3 LEU MD2 1 4 PHE QD . . 4.360 4.139 4.108 4.180 . 0 0 "[ . 1]" 1
20 1 3 LEU MD2 1 32 TYR QB . . 3.590 1.812 1.803 1.827 . 0 0 "[ . 1]" 1
21 1 3 LEU MD2 1 33 LEU H . . 4.760 2.263 2.196 2.383 . 0 0 "[ . 1]" 1
22 1 3 LEU MD2 1 34 LEU H . . 4.590 3.756 3.659 3.846 . 0 0 "[ . 1]" 1
23 1 3 LEU MD2 1 34 LEU HA . . 3.940 3.246 3.164 3.346 . 0 0 "[ . 1]" 1
24 1 3 LEU MD2 1 34 LEU HB3 . . 3.630 3.721 3.565 3.865 0.235 8 0 "[ . 1]" 1
25 1 3 LEU HG 1 4 PHE H . . 4.280 4.410 4.395 4.435 0.155 7 0 "[ . 1]" 1
26 1 3 LEU HG 1 21 PHE HB2 . . 5.500 4.979 4.907 5.139 . 0 0 "[ . 1]" 1
27 1 3 LEU HG 1 32 TYR QB . . 4.220 4.313 4.250 4.377 0.157 1 0 "[ . 1]" 1
28 1 4 PHE H 1 4 PHE HB2 . . 3.970 2.896 2.891 2.901 . 0 0 "[ . 1]" 1
29 1 4 PHE H 1 4 PHE HB3 . . 3.930 3.919 3.915 3.924 . 0 0 "[ . 1]" 1
30 1 4 PHE H 1 4 PHE QD . . 3.810 3.427 3.378 3.487 . 0 0 "[ . 1]" 1
31 1 4 PHE H 1 33 LEU H . . 4.230 2.112 1.931 2.223 . 0 0 "[ . 1]" 1
32 1 4 PHE HA 1 5 GLU H . . 3.110 2.186 2.169 2.199 . 0 0 "[ . 1]" 1
33 1 4 PHE HA 1 17 GLU HA . . 3.550 2.102 2.061 2.132 . 0 0 "[ . 1]" 1
34 1 4 PHE HA 1 17 GLU QB . . 5.210 4.044 4.005 4.082 . 0 0 "[ . 1]" 1
35 1 4 PHE HA 1 18 ILE H . . 5.500 2.448 2.424 2.500 . 0 0 "[ . 1]" 1
36 1 4 PHE HA 1 18 ILE HB . . 5.500 3.706 3.661 3.782 . 0 0 "[ . 1]" 1
37 1 4 PHE HB2 1 5 GLU H . . 4.690 4.472 4.454 4.482 . 0 0 "[ . 1]" 1
38 1 4 PHE HB2 1 5 GLU HA . . 5.180 5.061 5.045 5.076 . 0 0 "[ . 1]" 1
39 1 4 PHE HB2 1 33 LEU H . . 4.210 3.009 2.871 3.095 . 0 0 "[ . 1]" 1
40 1 4 PHE HB2 1 33 LEU HB3 . . 5.500 3.620 3.514 3.670 . 0 0 "[ . 1]" 1
41 1 4 PHE HB3 1 17 GLU H . . 5.500 5.566 5.545 5.591 0.091 9 0 "[ . 1]" 1
42 1 4 PHE HB3 1 33 LEU HB3 . . 5.010 5.107 5.034 5.160 0.150 9 0 "[ . 1]" 1
43 1 4 PHE QD 1 5 GLU H . . 4.320 4.480 4.450 4.505 0.185 8 0 "[ . 1]" 1
44 1 4 PHE QD 1 17 GLU H . . 4.280 4.002 3.906 4.088 . 0 0 "[ . 1]" 1
45 1 4 PHE QD 1 17 GLU HA . . 4.030 1.984 1.967 2.010 . 0 0 "[ . 1]" 1
46 1 4 PHE QD 1 17 GLU QB . . 3.670 2.164 2.097 2.243 . 0 0 "[ . 1]" 1
47 1 4 PHE QD 1 18 ILE H . . 4.540 3.644 3.607 3.689 . 0 0 "[ . 1]" 1
48 1 4 PHE QD 1 18 ILE HB . . 5.500 5.569 5.540 5.600 0.100 6 0 "[ . 1]" 1
49 1 4 PHE QD 1 33 LEU H . . 4.290 3.559 3.360 3.704 . 0 0 "[ . 1]" 1
50 1 4 PHE QD 1 33 LEU HB3 . . 5.500 3.249 2.986 3.740 . 0 0 "[ . 1]" 1
51 1 4 PHE QE 1 17 GLU QB . . 3.170 1.990 1.979 2.003 . 0 0 "[ . 1]" 1
52 1 5 GLU H 1 5 GLU QB . . 3.290 2.174 2.169 2.188 . 0 0 "[ . 1]" 1
53 1 5 GLU H 1 5 GLU HB3 . . 3.750 3.462 3.458 3.469 . 0 0 "[ . 1]" 1
54 1 5 GLU H 1 5 GLU QG . . 4.790 3.302 3.288 3.328 . 0 0 "[ . 1]" 1
55 1 5 GLU H 1 16 THR H . . 4.360 4.414 4.370 4.430 0.070 1 0 "[ . 1]" 1
56 1 5 GLU H 1 16 THR HB . . 5.500 3.894 3.654 4.187 . 0 0 "[ . 1]" 1
57 1 5 GLU H 1 17 GLU HA . . 5.290 3.394 3.344 3.432 . 0 0 "[ . 1]" 1
58 1 5 GLU HA 1 6 CYS H . . 3.310 2.146 2.143 2.150 . 0 0 "[ . 1]" 1
59 1 5 GLU HA 1 32 TYR HA . . 5.500 3.075 2.914 3.189 . 0 0 "[ . 1]" 1
60 1 5 GLU QB 1 6 CYS H . . 4.290 3.558 3.530 3.588 . 0 0 "[ . 1]" 1
61 1 5 GLU QB 1 16 THR HB . . 4.200 3.521 3.360 3.633 . 0 0 "[ . 1]" 1
62 1 5 GLU QG 1 6 CYS H . . 3.560 3.883 3.865 3.903 0.343 3 0 "[ . 1]" 1
63 1 5 GLU HG3 1 6 CYS H . . 4.300 4.365 4.339 4.390 0.090 2 0 "[ . 1]" 1
64 1 6 CYS H 1 6 CYS HB2 . . 3.790 2.899 2.896 2.901 . 0 0 "[ . 1]" 1
65 1 6 CYS H 1 7 SER H . . 5.500 4.107 4.102 4.116 . 0 0 "[ . 1]" 1
66 1 6 CYS H 1 13 PHE QE . . 4.410 4.612 4.606 4.620 0.210 2 0 "[ . 1]" 1
67 1 6 CYS H 1 16 THR H . . 5.500 4.515 4.478 4.544 . 0 0 "[ . 1]" 1
68 1 6 CYS H 1 31 VAL H . . 4.690 3.599 3.489 3.710 . 0 0 "[ . 1]" 1
69 1 6 CYS H 1 31 VAL MG1 . . 4.190 3.855 3.703 3.923 . 0 0 "[ . 1]" 1
70 1 6 CYS H 1 32 TYR HA . . 4.080 4.085 3.987 4.161 0.081 8 0 "[ . 1]" 1
71 1 6 CYS H 1 56 ALA MB . . 4.640 3.618 3.552 3.684 . 0 0 "[ . 1]" 1
72 1 6 CYS HA 1 7 SER H . . 2.990 2.148 2.147 2.149 . 0 0 "[ . 1]" 1
73 1 6 CYS HA 1 14 LEU H . . 4.290 4.585 4.579 4.593 0.303 5 0 "[ . 1]" 1
74 1 6 CYS HA 1 15 ALA HA . . 3.380 2.696 2.680 2.726 . 0 0 "[ . 1]" 1
75 1 6 CYS HA 1 16 THR H . . 4.890 2.789 2.762 2.806 . 0 0 "[ . 1]" 1
76 1 6 CYS HB2 1 7 SER H . . 4.270 4.211 4.204 4.215 . 0 0 "[ . 1]" 1
77 1 6 CYS HB2 1 13 PHE QD . . 3.750 4.222 4.203 4.232 0.482 7 0 "[ . 1]" 1
78 1 6 CYS HB2 1 13 PHE QE . . 3.520 1.991 1.979 1.999 . 0 0 "[ . 1]" 1
79 1 6 CYS HB2 1 31 VAL HB . . 4.120 3.336 3.279 3.382 . 0 0 "[ . 1]" 1
80 1 6 CYS HB2 1 31 VAL MG1 . . 4.380 3.648 3.533 3.725 . 0 0 "[ . 1]" 1
81 1 6 CYS HB2 1 31 VAL MG2 . . 5.500 4.337 4.262 4.448 . 0 0 "[ . 1]" 1
82 1 6 CYS HB2 1 56 ALA MB . . 3.780 1.935 1.894 1.975 . 0 0 "[ . 1]" 1
83 1 7 SER H 1 7 SER HB3 . . 3.780 3.062 3.058 3.064 . 0 0 "[ . 1]" 1
84 1 7 SER H 1 13 PHE QD . . 5.310 4.695 4.676 4.743 . 0 0 "[ . 1]" 1
85 1 7 SER H 1 14 LEU H . . 4.170 3.506 3.497 3.522 . 0 0 "[ . 1]" 1
86 1 7 SER H 1 14 LEU QB . . 4.040 3.282 3.261 3.291 . 0 0 "[ . 1]" 1
87 1 7 SER H 1 15 ALA HA . . 4.290 4.316 4.303 4.340 0.050 7 0 "[ . 1]" 1
88 1 7 SER H 1 16 THR H . . 4.670 4.713 4.682 4.724 0.054 8 0 "[ . 1]" 1
89 1 7 SER HA 1 8 ASN H . . 3.280 2.326 2.325 2.327 . 0 0 "[ . 1]" 1
90 1 7 SER HA 1 13 PHE QE . . 4.270 4.031 4.018 4.070 . 0 0 "[ . 1]" 1
91 1 7 SER HB3 1 14 LEU H . . 4.850 5.117 5.111 5.133 0.283 5 0 "[ . 1]" 1
92 1 8 ASN H 1 9 LYS H . . 4.590 4.552 4.551 4.554 . 0 0 "[ . 1]" 1
93 1 8 ASN H 1 49 ASN HB3 . . 5.500 5.575 5.558 5.584 0.084 3 0 "[ . 1]" 1
94 1 8 ASN HA 1 8 ASN HD21 . . 4.640 4.323 4.294 4.363 . 0 0 "[ . 1]" 1
95 1 8 ASN HA 1 10 THR H . . 4.960 4.506 4.499 4.509 . 0 0 "[ . 1]" 1
96 1 8 ASN HA 1 13 PHE HA . . 4.360 2.211 2.192 2.258 . 0 0 "[ . 1]" 1
97 1 8 ASN HA 1 14 LEU H . . 3.950 2.712 2.704 2.727 . 0 0 "[ . 1]" 1
98 1 8 ASN HB3 1 13 PHE H . . 5.500 3.765 3.747 3.788 . 0 0 "[ . 1]" 1
99 1 8 ASN HB3 1 13 PHE QD . . 3.960 3.740 3.709 3.772 . 0 0 "[ . 1]" 1
100 1 8 ASN HB3 1 14 LEU H . . 4.070 3.781 3.770 3.796 . 0 0 "[ . 1]" 1
101 1 8 ASN HD21 1 13 PHE QD . . 4.100 3.964 3.872 4.106 0.006 4 0 "[ . 1]" 1
102 1 8 ASN HD21 1 49 ASN HB3 . . 3.810 3.628 3.593 3.667 . 0 0 "[ . 1]" 1
103 1 8 ASN HD21 1 51 SER QB . . 3.870 3.030 2.978 3.085 . 0 0 "[ . 1]" 1
104 1 8 ASN HD21 1 52 GLU H . . 4.910 3.448 3.372 3.536 . 0 0 "[ . 1]" 1
105 1 8 ASN HD21 1 52 GLU QB . . 4.500 4.369 4.274 4.492 . 0 0 "[ . 1]" 1
106 1 8 ASN HD22 1 49 ASN HB3 . . 5.500 2.568 2.537 2.604 . 0 0 "[ . 1]" 1
107 1 8 ASN HD22 1 51 SER QB . . 3.790 3.566 3.508 3.603 . 0 0 "[ . 1]" 1
108 1 8 ASN HD22 1 52 GLU H . . 3.610 3.622 3.575 3.640 0.030 9 0 "[ . 1]" 1
109 1 9 LYS H 1 9 LYS QB . . 3.200 2.394 2.196 2.594 . 0 0 "[ . 1]" 1
110 1 9 LYS H 1 10 THR H . . 4.300 2.706 2.702 2.710 . 0 0 "[ . 1]" 1
111 1 9 LYS H 1 12 ARG HB2 . . 4.190 4.157 4.145 4.166 . 0 0 "[ . 1]" 1
112 1 9 LYS H 1 14 LEU QB . . 4.210 4.185 4.172 4.198 . 0 0 "[ . 1]" 1
113 1 10 THR H 1 10 THR MG . . 3.200 2.815 2.812 2.819 . 0 0 "[ . 1]" 1
114 1 10 THR H 1 11 GLY H . . 3.520 2.202 2.200 2.204 . 0 0 "[ . 1]" 1
115 1 10 THR H 1 12 ARG H . . 4.070 2.576 2.574 2.578 . 0 0 "[ . 1]" 1
116 1 10 THR H 1 12 ARG HB2 . . 5.180 4.256 4.244 4.265 . 0 0 "[ . 1]" 1
117 1 10 THR HA 1 10 THR MG . . 3.370 2.412 2.411 2.414 . 0 0 "[ . 1]" 1
118 1 10 THR HB 1 11 GLY H . . 5.130 3.497 3.494 3.501 . 0 0 "[ . 1]" 1
119 1 10 THR HB 1 12 ARG H . . 5.500 5.272 5.269 5.275 . 0 0 "[ . 1]" 1
120 1 10 THR MG 1 11 GLY H . . 3.820 3.586 3.584 3.588 . 0 0 "[ . 1]" 1
121 1 11 GLY H 1 12 ARG H . . 3.170 1.861 1.858 1.868 . 0 0 "[ . 1]" 1
122 1 12 ARG H 1 12 ARG QD . . 4.260 4.270 4.267 4.273 0.013 5 0 "[ . 1]" 1
123 1 12 ARG H 1 12 ARG HD3 . . 4.950 4.754 4.670 4.914 . 0 0 "[ . 1]" 1
124 1 12 ARG H 1 12 ARG QG . . 3.380 2.872 2.869 2.878 . 0 0 "[ . 1]" 1
125 1 12 ARG H 1 12 ARG HG3 . . 3.980 3.981 3.978 3.986 0.006 8 0 "[ . 1]" 1
126 1 12 ARG H 1 13 PHE H . . 4.650 4.394 4.389 4.401 . 0 0 "[ . 1]" 1
127 1 12 ARG HA 1 12 ARG QD . . 3.780 2.496 2.385 2.549 . 0 0 "[ . 1]" 1
128 1 12 ARG HA 1 12 ARG HD3 . . 4.560 3.037 2.854 3.351 . 0 0 "[ . 1]" 1
129 1 12 ARG HA 1 13 PHE H . . 3.150 2.185 2.181 2.190 . 0 0 "[ . 1]" 1
130 1 12 ARG QD 1 13 PHE H . . 4.400 3.638 3.553 3.700 . 0 0 "[ . 1]" 1
131 1 12 ARG QG 1 13 PHE H . . 4.490 4.516 4.511 4.521 0.031 9 0 "[ . 1]" 1
132 1 13 PHE H 1 13 PHE HB2 . . 3.560 3.052 3.039 3.063 . 0 0 "[ . 1]" 1
133 1 13 PHE H 1 13 PHE HB3 . . 3.560 2.223 2.220 2.227 . 0 0 "[ . 1]" 1
134 1 13 PHE H 1 13 PHE QD . . 3.860 3.855 3.845 3.872 0.012 5 0 "[ . 1]" 1
135 1 13 PHE H 1 14 LEU H . . 4.750 4.574 4.570 4.577 . 0 0 "[ . 1]" 1
136 1 13 PHE HA 1 14 LEU H . . 3.040 2.206 2.203 2.208 . 0 0 "[ . 1]" 1
137 1 13 PHE QB 1 14 LEU H . . 4.210 3.550 3.545 3.561 . 0 0 "[ . 1]" 1
138 1 13 PHE QB 1 55 ALA MB . . 4.740 3.077 2.965 3.158 . 0 0 "[ . 1]" 1
139 1 13 PHE QD 1 14 LEU H . . 3.790 3.228 3.218 3.248 . 0 0 "[ . 1]" 1
140 1 13 PHE QD 1 14 LEU MD1 . . 5.340 4.951 4.938 4.975 . 0 0 "[ . 1]" 1
141 1 13 PHE QD 1 15 ALA H . . 4.380 4.423 4.416 4.429 0.049 6 0 "[ . 1]" 1
142 1 13 PHE QD 1 15 ALA MB . . 3.750 3.822 3.818 3.837 0.087 5 0 "[ . 1]" 1
143 1 13 PHE QD 1 52 GLU HA . . 3.420 2.019 1.993 2.052 . 0 0 "[ . 1]" 1
144 1 13 PHE QD 1 52 GLU QB . . 3.500 3.188 3.168 3.196 . 0 0 "[ . 1]" 1
145 1 13 PHE QD 1 52 GLU HB3 . . 4.330 3.274 3.250 3.285 . 0 0 "[ . 1]" 1
146 1 13 PHE QD 1 55 ALA H . . 4.870 4.796 4.749 4.838 . 0 0 "[ . 1]" 1
147 1 13 PHE QD 1 55 ALA MB . . 3.680 2.781 2.689 2.865 . 0 0 "[ . 1]" 1
148 1 13 PHE QE 1 14 LEU H . . 4.160 4.228 4.220 4.241 0.081 5 0 "[ . 1]" 1
149 1 13 PHE QE 1 15 ALA MB . . 3.640 1.999 1.990 2.025 . 0 0 "[ . 1]" 1
150 1 13 PHE QE 1 52 GLU HA . . 3.710 2.877 2.851 2.907 . 0 0 "[ . 1]" 1
151 1 13 PHE QE 1 52 GLU QB . . 3.600 3.264 3.220 3.312 . 0 0 "[ . 1]" 1
152 1 13 PHE QE 1 55 ALA MB . . 3.910 2.683 2.657 2.719 . 0 0 "[ . 1]" 1
153 1 13 PHE QE 1 56 ALA H . . 4.300 3.004 2.967 3.033 . 0 0 "[ . 1]" 1
154 1 13 PHE QE 1 56 ALA HA . . 3.780 3.460 3.369 3.522 . 0 0 "[ . 1]" 1
155 1 13 PHE QE 1 56 ALA MB . . 3.410 2.161 2.077 2.230 . 0 0 "[ . 1]" 1
156 1 13 PHE QE 1 59 THR HB . . 4.570 4.591 4.581 4.605 0.035 5 0 "[ . 1]" 1
157 1 14 LEU H 1 14 LEU QB . . 3.840 2.390 2.381 2.394 . 0 0 "[ . 1]" 1
158 1 14 LEU H 1 14 LEU MD1 . . 4.720 4.185 4.178 4.194 . 0 0 "[ . 1]" 1
159 1 14 LEU H 1 14 LEU HG . . 4.710 4.556 4.547 4.560 . 0 0 "[ . 1]" 1
160 1 14 LEU HA 1 14 LEU MD1 . . 3.440 1.971 1.958 1.990 . 0 0 "[ . 1]" 1
161 1 14 LEU HA 1 15 ALA H . . 2.810 2.165 2.163 2.168 . 0 0 "[ . 1]" 1
162 1 14 LEU QB 1 15 ALA H . . 4.140 3.181 3.174 3.191 . 0 0 "[ . 1]" 1
163 1 14 LEU QB 1 16 THR H . . 5.500 4.763 4.755 4.782 . 0 0 "[ . 1]" 1
164 1 14 LEU MD1 1 15 ALA H . . 3.590 2.935 2.931 2.941 . 0 0 "[ . 1]" 1
165 1 15 ALA H 1 15 ALA MB . . 3.190 2.415 2.405 2.420 . 0 0 "[ . 1]" 1
166 1 15 ALA HA 1 16 THR H . . 3.100 2.141 2.140 2.141 . 0 0 "[ . 1]" 1
167 1 15 ALA MB 1 16 THR H . . 3.450 3.226 3.216 3.230 . 0 0 "[ . 1]" 1
168 1 16 THR H 1 16 THR HB . . 3.830 2.978 2.870 3.059 . 0 0 "[ . 1]" 1
169 1 16 THR H 1 16 THR MG . . 4.500 3.963 3.950 3.972 . 0 0 "[ . 1]" 1
170 1 16 THR HA 1 16 THR MG . . 3.490 2.122 2.033 2.284 . 0 0 "[ . 1]" 1
171 1 16 THR HA 1 17 GLU H . . 3.150 2.285 2.182 2.332 . 0 0 "[ . 1]" 1
172 1 16 THR MG 1 17 GLU H . . 3.520 2.093 1.912 2.178 . 0 0 "[ . 1]" 1
173 1 17 GLU H 1 17 GLU QB . . 3.120 2.298 2.230 2.341 . 0 0 "[ . 1]" 1
174 1 17 GLU HA 1 18 ILE H . . 3.300 2.250 2.243 2.256 . 0 0 "[ . 1]" 1
175 1 17 GLU QG 1 18 ILE H . . 4.010 2.148 2.050 2.285 . 0 0 "[ . 1]" 1
176 1 17 GLU HG3 1 18 ILE H . . 4.710 3.237 2.346 3.823 . 0 0 "[ . 1]" 1
177 1 18 ILE H 1 18 ILE HB . . 3.250 2.756 2.728 2.784 . 0 0 "[ . 1]" 1
178 1 18 ILE H 1 18 ILE QG . . 5.140 2.867 2.831 2.891 . 0 0 "[ . 1]" 1
179 1 18 ILE H 1 19 VAL H . . 4.450 4.148 4.117 4.175 . 0 0 "[ . 1]" 1
180 1 18 ILE HA 1 18 ILE MD . . 3.230 2.010 1.965 2.076 . 0 0 "[ . 1]" 1
181 1 18 ILE HA 1 18 ILE MG . . 2.860 2.308 2.302 2.314 . 0 0 "[ . 1]" 1
182 1 18 ILE HA 1 19 VAL H . . 2.890 2.141 2.140 2.142 . 0 0 "[ . 1]" 1
183 1 18 ILE HB 1 19 VAL H . . 4.920 4.294 4.290 4.302 . 0 0 "[ . 1]" 1
184 1 18 ILE HB 1 21 PHE HB2 . . 5.500 4.636 4.619 4.659 . 0 0 "[ . 1]" 1
185 1 18 ILE MG 1 19 VAL H . . 2.710 2.679 2.658 2.695 . 0 0 "[ . 1]" 1
186 1 18 ILE MG 1 19 VAL HA . . 4.650 4.336 4.328 4.345 . 0 0 "[ . 1]" 1
187 1 18 ILE MG 1 21 PHE H . . 4.310 3.709 3.692 3.725 . 0 0 "[ . 1]" 1
188 1 18 ILE MG 1 21 PHE HB2 . . 3.290 2.591 2.572 2.605 . 0 0 "[ . 1]" 1
189 1 18 ILE MG 1 21 PHE HB3 . . 3.890 3.855 3.835 3.867 . 0 0 "[ . 1]" 1
190 1 19 VAL H 1 19 VAL HB . . 3.390 2.718 2.715 2.720 . 0 0 "[ . 1]" 1
191 1 19 VAL H 1 19 VAL MG2 . . 3.430 2.049 1.972 2.087 . 0 0 "[ . 1]" 1
192 1 19 VAL H 1 20 ASP H . . 4.930 4.639 4.638 4.639 . 0 0 "[ . 1]" 1
193 1 19 VAL HA 1 20 ASP H . . 2.830 2.273 2.271 2.275 . 0 0 "[ . 1]" 1
194 1 19 VAL HB 1 20 ASP H . . 3.900 3.769 3.763 3.780 . 0 0 "[ . 1]" 1
195 1 19 VAL MG1 1 20 ASP H . . 4.280 2.050 1.983 2.113 . 0 0 "[ . 1]" 1
196 1 19 VAL MG1 1 20 ASP QB . . 4.480 2.968 2.904 3.018 . 0 0 "[ . 1]" 1
197 1 20 ASP H 1 21 PHE H . . 4.240 4.231 4.225 4.233 . 0 0 "[ . 1]" 1
198 1 20 ASP H 1 21 PHE QD . . 4.210 4.183 4.114 4.214 0.004 5 0 "[ . 1]" 1
199 1 20 ASP HA 1 21 PHE H . . 3.130 2.208 2.206 2.210 . 0 0 "[ . 1]" 1
200 1 20 ASP HA 1 21 PHE QD . . 4.350 4.097 4.059 4.112 . 0 0 "[ . 1]" 1
201 1 21 PHE H 1 21 PHE HB2 . . 3.430 2.348 2.340 2.365 . 0 0 "[ . 1]" 1
202 1 21 PHE H 1 21 PHE HB3 . . 3.750 3.542 3.538 3.552 . 0 0 "[ . 1]" 1
203 1 21 PHE H 1 21 PHE QD . . 2.830 3.111 3.097 3.118 0.288 9 0 "[ . 1]" 1
204 1 21 PHE H 1 22 THR H . . 5.060 4.476 4.470 4.479 . 0 0 "[ . 1]" 1
205 1 21 PHE HA 1 22 THR H . . 3.080 2.545 2.535 2.549 . 0 0 "[ . 1]" 1
206 1 21 PHE HB2 1 22 THR H . . 3.730 3.653 3.645 3.671 . 0 0 "[ . 1]" 1
207 1 21 PHE HB3 1 22 THR H . . 4.100 2.177 2.169 2.201 . 0 0 "[ . 1]" 1
208 1 21 PHE HB3 1 22 THR MG . . 4.330 4.108 4.100 4.115 . 0 0 "[ . 1]" 1
209 1 21 PHE HB3 1 25 ASP H . . 3.590 3.877 3.798 3.906 0.316 5 0 "[ . 1]" 1
210 1 21 PHE QD 1 22 THR H . . 3.960 3.727 3.703 3.749 . 0 0 "[ . 1]" 1
211 1 21 PHE QD 1 25 ASP H . . 4.100 4.197 4.099 4.236 0.136 9 0 "[ . 1]" 1
212 1 22 THR H 1 22 THR MG . . 3.980 2.202 2.175 2.221 . 0 0 "[ . 1]" 1
213 1 22 THR H 1 25 ASP H . . 4.380 3.788 3.732 3.827 . 0 0 "[ . 1]" 1
214 1 22 THR H 1 25 ASP HB2 . . 4.000 3.584 3.526 3.707 . 0 0 "[ . 1]" 1
215 1 22 THR HB 1 23 GLN H . . 3.310 2.136 2.046 2.277 . 0 0 "[ . 1]" 1
216 1 22 THR HB 1 24 ASP H . . 4.060 3.063 3.012 3.137 . 0 0 "[ . 1]" 1
217 1 22 THR MG 1 23 GLN H . . 4.460 3.730 3.687 3.798 . 0 0 "[ . 1]" 1
218 1 22 THR MG 1 24 ASP H . . 4.670 4.077 4.067 4.085 . 0 0 "[ . 1]" 1
219 1 23 GLN H 1 23 GLN HB2 . . 3.190 2.547 2.472 2.624 . 0 0 "[ . 1]" 1
220 1 23 GLN H 1 24 ASP H . . 3.600 2.571 2.527 2.656 . 0 0 "[ . 1]" 1
221 1 23 GLN H 1 26 LEU H . . 5.500 4.949 4.820 4.996 . 0 0 "[ . 1]" 1
222 1 23 GLN HA 1 23 GLN QG . . 3.710 2.665 2.436 2.998 . 0 0 "[ . 1]" 1
223 1 23 GLN HA 1 25 ASP H . . 4.910 4.244 4.195 4.268 . 0 0 "[ . 1]" 1
224 1 23 GLN HA 1 26 LEU H . . 4.260 3.075 2.951 3.112 . 0 0 "[ . 1]" 1
225 1 23 GLN HB2 1 24 ASP H . . 3.810 3.118 3.111 3.128 . 0 0 "[ . 1]" 1
226 1 23 GLN QG 1 24 ASP H . . 4.240 4.142 4.029 4.221 . 0 0 "[ . 1]" 1
227 1 24 ASP H 1 24 ASP QB . . 2.990 2.400 2.341 2.494 . 0 0 "[ . 1]" 1
228 1 24 ASP H 1 24 ASP HB3 . . 3.650 3.583 3.573 3.591 . 0 0 "[ . 1]" 1
229 1 24 ASP H 1 25 ASP H . . 3.940 2.809 2.803 2.822 . 0 0 "[ . 1]" 1
230 1 24 ASP H 1 26 LEU H . . 4.370 3.743 3.725 3.750 . 0 0 "[ . 1]" 1
231 1 24 ASP HA 1 26 LEU H . . 5.500 3.929 3.886 4.116 . 0 0 "[ . 1]" 1
232 1 24 ASP HB3 1 25 ASP H . . 4.490 3.439 3.363 3.545 . 0 0 "[ . 1]" 1
233 1 25 ASP H 1 25 ASP HB2 . . 3.040 2.186 2.181 2.204 . 0 0 "[ . 1]" 1
234 1 25 ASP H 1 26 LEU H . . 3.480 2.442 2.339 2.468 . 0 0 "[ . 1]" 1
235 1 25 ASP HB2 1 26 LEU H . . 4.570 3.466 3.387 3.487 . 0 0 "[ . 1]" 1
236 1 26 LEU H 1 26 LEU QB . . 3.280 2.156 2.139 2.227 . 0 0 "[ . 1]" 1
237 1 26 LEU H 1 26 LEU HB3 . . 4.150 2.798 2.582 2.844 . 0 0 "[ . 1]" 1
238 1 26 LEU H 1 26 LEU MD2 . . 5.160 3.787 3.591 4.218 . 0 0 "[ . 1]" 1
239 1 26 LEU H 1 27 ASP H . . 5.500 4.308 4.265 4.379 . 0 0 "[ . 1]" 1
240 1 26 LEU HA 1 26 LEU MD2 . . 3.530 2.215 1.934 3.400 . 0 0 "[ . 1]" 1
241 1 26 LEU HA 1 27 ASP H . . 3.210 2.177 2.153 2.195 . 0 0 "[ . 1]" 1
242 1 27 ASP H 1 27 ASP HB3 . . 3.540 3.552 3.530 3.573 0.033 2 0 "[ . 1]" 1
243 1 27 ASP HA 1 28 GLU H . . 3.020 2.488 2.441 2.522 . 0 0 "[ . 1]" 1
244 1 27 ASP QB 1 28 GLU H . . 3.540 2.295 2.236 2.364 . 0 0 "[ . 1]" 1
245 1 27 ASP QB 1 29 ASN H . . 4.440 3.314 3.142 3.440 . 0 0 "[ . 1]" 1
246 1 27 ASP QB 1 30 ASP H . . 4.790 4.170 4.065 4.245 . 0 0 "[ . 1]" 1
247 1 27 ASP HB3 1 28 GLU H . . 4.250 2.332 2.282 2.388 . 0 0 "[ . 1]" 1
248 1 28 GLU H 1 28 GLU QB . . 3.570 2.439 2.249 2.599 . 0 0 "[ . 1]" 1
249 1 28 GLU H 1 28 GLU QG . . 3.520 2.348 1.931 3.012 . 0 0 "[ . 1]" 1
250 1 28 GLU H 1 29 ASN H . . 4.280 2.900 2.868 2.944 . 0 0 "[ . 1]" 1
251 1 28 GLU QG 1 29 ASN H . . 4.540 3.872 3.653 4.172 . 0 0 "[ . 1]" 1
252 1 29 ASN H 1 29 ASN QB . . 3.230 2.620 2.594 2.650 . 0 0 "[ . 1]" 1
253 1 29 ASN H 1 29 ASN HB3 . . 4.090 3.794 3.781 3.809 . 0 0 "[ . 1]" 1
254 1 29 ASN H 1 29 ASN HD21 . . 4.310 2.824 2.529 3.077 . 0 0 "[ . 1]" 1
255 1 29 ASN H 1 29 ASN QD . . 3.730 2.777 2.504 3.006 . 0 0 "[ . 1]" 1
256 1 29 ASN H 1 29 ASN HD22 . . 4.310 4.137 4.029 4.254 . 0 0 "[ . 1]" 1
257 1 29 ASN H 1 30 ASP H . . 3.950 3.979 3.961 4.013 0.063 7 0 "[ . 1]" 1
258 1 29 ASN H 1 47 GLY H . . 5.300 5.351 5.341 5.362 0.062 10 0 "[ . 1]" 1
259 1 29 ASN HA 1 47 GLY H . . 3.690 3.706 3.612 3.742 0.052 9 0 "[ . 1]" 1
260 1 29 ASN QB 1 29 ASN QD . . 2.900 2.169 2.105 2.272 . 0 0 "[ . 1]" 1
261 1 29 ASN QB 1 48 ALA MB . . 4.360 3.588 3.516 3.712 . 0 0 "[ . 1]" 1
262 1 30 ASP H 1 30 ASP HB3 . . 3.570 3.740 3.726 3.761 0.191 10 0 "[ . 1]" 1
263 1 30 ASP H 1 31 VAL H . . 4.290 4.405 4.403 4.407 0.117 6 0 "[ . 1]" 1
264 1 30 ASP HA 1 31 VAL H . . 3.470 2.446 2.440 2.453 . 0 0 "[ . 1]" 1
265 1 30 ASP HA 1 48 ALA MB . . 4.300 2.961 2.819 3.155 . 0 0 "[ . 1]" 1
266 1 30 ASP HB3 1 31 VAL H . . 2.860 2.399 2.381 2.419 . 0 0 "[ . 1]" 1
267 1 30 ASP HB3 1 31 VAL HB . . 4.620 4.767 4.736 4.809 0.189 5 0 "[ . 1]" 1
268 1 31 VAL H 1 31 VAL HB . . 3.720 2.595 2.557 2.618 . 0 0 "[ . 1]" 1
269 1 31 VAL H 1 31 VAL MG1 . . 4.730 3.826 3.815 3.834 . 0 0 "[ . 1]" 1
270 1 31 VAL H 1 31 VAL MG2 . . 4.250 2.562 2.525 2.613 . 0 0 "[ . 1]" 1
271 1 31 VAL H 1 48 ALA MB . . 5.500 3.592 3.517 3.692 . 0 0 "[ . 1]" 1
272 1 31 VAL HA 1 31 VAL MG2 . . 3.520 2.382 2.358 2.399 . 0 0 "[ . 1]" 1
273 1 31 VAL HA 1 32 TYR H . . 3.350 2.157 2.145 2.163 . 0 0 "[ . 1]" 1
274 1 31 VAL HA 1 44 ILE HA . . 4.490 3.413 3.177 3.604 . 0 0 "[ . 1]" 1
275 1 31 VAL HA 1 44 ILE QG . . 5.340 4.279 3.457 5.198 . 0 0 "[ . 1]" 1
276 1 31 VAL HA 1 45 GLY H . . 4.050 4.081 4.061 4.104 0.054 10 0 "[ . 1]" 1
277 1 31 VAL HB 1 32 TYR H . . 4.680 4.340 4.285 4.368 . 0 0 "[ . 1]" 1
278 1 31 VAL HB 1 48 ALA MB . . 4.930 4.232 4.201 4.266 . 0 0 "[ . 1]" 1
279 1 31 VAL HB 1 56 ALA MB . . 4.200 2.972 2.858 3.128 . 0 0 "[ . 1]" 1
280 1 31 VAL MG1 1 31 VAL MG2 . . 2.400 2.048 2.038 2.054 . 0 0 "[ . 1]" 1
281 1 31 VAL MG1 1 32 TYR H . . 4.840 3.103 3.002 3.150 . 0 0 "[ . 1]" 1
282 1 31 VAL MG1 1 44 ILE HA . . 4.470 3.908 3.824 3.968 . 0 0 "[ . 1]" 1
283 1 31 VAL MG1 1 52 GLU QB . . 5.280 3.415 3.219 3.535 . 0 0 "[ . 1]" 1
284 1 31 VAL MG1 1 53 LYS H . . 5.000 3.800 3.626 3.893 . 0 0 "[ . 1]" 1
285 1 31 VAL MG1 1 53 LYS HA . . 2.720 1.918 1.909 1.929 . 0 0 "[ . 1]" 1
286 1 31 VAL MG1 1 53 LYS HG3 . . 4.330 4.428 4.374 4.469 0.139 5 0 "[ . 1]" 1
287 1 31 VAL MG1 1 54 GLU H . . 4.880 4.755 4.708 4.785 . 0 0 "[ . 1]" 1
288 1 31 VAL MG1 1 56 ALA MB . . 3.480 1.890 1.822 2.040 . 0 0 "[ . 1]" 1
289 1 31 VAL MG1 1 57 ALA H . . 4.850 4.152 4.064 4.339 . 0 0 "[ . 1]" 1
290 1 31 VAL MG2 1 32 TYR H . . 4.610 4.206 4.183 4.232 . 0 0 "[ . 1]" 1
291 1 31 VAL MG2 1 44 ILE HA . . 5.310 3.868 3.687 4.066 . 0 0 "[ . 1]" 1
292 1 31 VAL MG2 1 48 ALA H . . 5.080 4.555 4.507 4.591 . 0 0 "[ . 1]" 1
293 1 31 VAL MG2 1 48 ALA MB . . 3.830 1.810 1.802 1.819 . 0 0 "[ . 1]" 1
294 1 31 VAL MG2 1 52 GLU HG3 . . 4.220 4.150 4.010 4.213 . 0 0 "[ . 1]" 1
295 1 31 VAL MG2 1 53 LYS H . . 5.100 2.886 2.852 2.919 . 0 0 "[ . 1]" 1
296 1 31 VAL MG2 1 53 LYS HA . . 4.480 2.545 2.409 2.825 . 0 0 "[ . 1]" 1
297 1 31 VAL MG2 1 53 LYS HG3 . . 5.500 4.672 4.539 4.918 . 0 0 "[ . 1]" 1
298 1 32 TYR H 1 32 TYR QB . . 3.750 2.717 2.610 2.814 . 0 0 "[ . 1]" 1
299 1 32 TYR H 1 33 LEU H . . 5.410 4.522 4.504 4.536 . 0 0 "[ . 1]" 1
300 1 32 TYR H 1 42 PHE HA . . 5.500 5.558 5.479 5.593 0.093 4 0 "[ . 1]" 1
301 1 32 TYR H 1 43 TRP H . . 4.240 4.078 4.012 4.117 . 0 0 "[ . 1]" 1
302 1 32 TYR H 1 43 TRP QB . . 4.310 3.623 3.468 3.864 . 0 0 "[ . 1]" 1
303 1 32 TYR HA 1 33 LEU H . . 3.170 2.406 2.360 2.462 . 0 0 "[ . 1]" 1
304 1 32 TYR HA 1 56 ALA MB . . 5.500 4.895 4.839 4.999 . 0 0 "[ . 1]" 1
305 1 32 TYR QB 1 33 LEU H . . 3.850 2.477 2.350 2.608 . 0 0 "[ . 1]" 1
306 1 32 TYR QB 1 43 TRP H . . 4.550 3.820 3.534 3.966 . 0 0 "[ . 1]" 1
307 1 33 LEU H 1 33 LEU HB3 . . 4.040 3.838 3.709 3.912 . 0 0 "[ . 1]" 1
308 1 33 LEU HA 1 34 LEU H . . 3.110 2.146 2.145 2.148 . 0 0 "[ . 1]" 1
309 1 33 LEU HB3 1 34 LEU H . . 3.860 3.631 3.605 3.664 . 0 0 "[ . 1]" 1
310 1 33 LEU HB3 1 40 ILE MG . . 4.510 3.225 2.852 3.518 . 0 0 "[ . 1]" 1
311 1 34 LEU H 1 34 LEU HB3 . . 3.710 2.493 2.475 2.545 . 0 0 "[ . 1]" 1
312 1 34 LEU H 1 40 ILE MG . . 4.440 2.888 2.619 3.101 . 0 0 "[ . 1]" 1
313 1 34 LEU H 1 41 PHE H . . 4.050 3.682 3.421 4.066 0.016 5 0 "[ . 1]" 1
314 1 34 LEU H 1 41 PHE QB . . 4.890 3.943 3.704 4.252 . 0 0 "[ . 1]" 1
315 1 34 LEU HA 1 35 ASP H . . 3.140 2.178 2.139 2.220 . 0 0 "[ . 1]" 1
316 1 34 LEU HB3 1 35 ASP H . . 4.350 4.440 4.327 4.498 0.148 10 0 "[ . 1]" 1
317 1 34 LEU HB3 1 41 PHE H . . 4.090 3.177 3.085 3.280 . 0 0 "[ . 1]" 1
318 1 34 LEU HB3 1 41 PHE HB2 . . 5.060 2.631 2.471 2.819 . 0 0 "[ . 1]" 1
319 1 34 LEU HB3 1 41 PHE QB . . 4.270 2.565 2.415 2.727 . 0 0 "[ . 1]" 1
320 1 34 LEU HB3 1 41 PHE HB3 . . 5.060 3.567 3.401 3.659 . 0 0 "[ . 1]" 1
321 1 34 LEU HB3 1 89 PHE QD . . 3.940 3.865 3.641 3.971 0.031 8 0 "[ . 1]" 1
322 1 34 LEU HB3 1 89 PHE QE . . 5.500 2.810 2.547 3.108 . 0 0 "[ . 1]" 1
323 1 34 LEU MD2 1 41 PHE QB . . 4.080 2.209 1.866 2.377 . 0 0 "[ . 1]" 1
324 1 34 LEU MD2 1 89 PHE HA . . 4.440 3.855 3.706 3.941 . 0 0 "[ . 1]" 1
325 1 34 LEU MD2 1 89 PHE QD . . 3.850 2.199 2.081 2.283 . 0 0 "[ . 1]" 1
326 1 34 LEU MD2 1 89 PHE QE . . 5.500 1.985 1.894 2.175 . 0 0 "[ . 1]" 1
327 1 35 ASP H 1 35 ASP HB3 . . 3.970 3.641 3.599 3.703 . 0 0 "[ . 1]" 1
328 1 35 ASP HA 1 36 THR H . . 3.310 2.144 2.143 2.146 . 0 0 "[ . 1]" 1
329 1 35 ASP HA 1 40 ILE QG . . 3.880 2.177 1.953 3.746 . 0 0 "[ . 1]" 1
330 1 35 ASP HA 1 40 ILE MG . . 4.270 2.005 1.963 2.104 . 0 0 "[ . 1]" 1
331 1 35 ASP HA 1 41 PHE H . . 5.500 3.522 3.394 3.613 . 0 0 "[ . 1]" 1
332 1 35 ASP QB 1 36 THR H . . 4.400 3.449 3.435 3.463 . 0 0 "[ . 1]" 1
333 1 35 ASP QB 1 63 TYR QD . . 4.240 3.886 3.602 4.253 0.013 7 0 "[ . 1]" 1
334 1 35 ASP QB 1 63 TYR QE . . 4.850 3.421 3.037 3.817 . 0 0 "[ . 1]" 1
335 1 35 ASP HB3 1 63 TYR QD . . 4.830 4.343 4.007 4.724 . 0 0 "[ . 1]" 1
336 1 36 THR H 1 36 THR MG . . 4.010 2.076 2.062 2.096 . 0 0 "[ . 1]" 1
337 1 36 THR H 1 37 TRP H . . 4.520 4.474 4.431 4.509 . 0 0 "[ . 1]" 1
338 1 36 THR H 1 39 GLN H . . 4.010 3.756 3.623 3.844 . 0 0 "[ . 1]" 1
339 1 36 THR H 1 40 ILE HA . . 4.020 2.216 2.101 2.422 . 0 0 "[ . 1]" 1
340 1 36 THR H 1 40 ILE QG . . 4.460 3.013 2.802 4.434 . 0 0 "[ . 1]" 1
341 1 36 THR H 1 41 PHE H . . 4.680 3.659 3.508 3.834 . 0 0 "[ . 1]" 1
342 1 36 THR HA 1 36 THR MG . . 3.660 2.634 2.625 2.646 . 0 0 "[ . 1]" 1
343 1 36 THR HB 1 92 TRP HZ2 . . 4.370 4.265 3.907 4.399 0.029 1 0 "[ . 1]" 1
344 1 36 THR MG 1 37 TRP H . . 5.080 3.866 3.800 3.943 . 0 0 "[ . 1]" 1
345 1 36 THR MG 1 92 TRP HB2 . . 5.090 3.568 3.477 3.622 . 0 0 "[ . 1]" 1
346 1 36 THR MG 1 92 TRP HD1 . . 3.460 3.043 2.976 3.081 . 0 0 "[ . 1]" 1
347 1 36 THR MG 1 92 TRP HE1 . . 3.990 2.981 2.844 3.058 . 0 0 "[ . 1]" 1
348 1 36 THR MG 1 92 TRP HZ2 . . 4.980 3.806 3.720 3.848 . 0 0 "[ . 1]" 1
349 1 37 TRP H 1 37 TRP HD1 . . 4.560 4.791 4.764 4.816 0.256 7 0 "[ . 1]" 1
350 1 37 TRP H 1 38 ASP H . . 4.580 2.676 2.575 2.781 . 0 0 "[ . 1]" 1
351 1 37 TRP H 1 39 GLN H . . 4.530 4.130 4.061 4.218 . 0 0 "[ . 1]" 1
352 1 37 TRP HA 1 37 TRP HD1 . . 3.700 3.068 2.320 3.818 0.118 8 0 "[ . 1]" 1
353 1 37 TRP QB 1 37 TRP HD1 . . 3.350 3.012 2.803 3.219 . 0 0 "[ . 1]" 1
354 1 37 TRP QB 1 38 ASP H . . 3.940 2.458 2.185 2.716 . 0 0 "[ . 1]" 1
355 1 37 TRP HD1 1 38 ASP H . . 4.100 3.929 3.562 4.309 0.209 4 0 "[ . 1]" 1
356 1 38 ASP H 1 38 ASP QB . . 3.300 2.329 2.173 2.530 . 0 0 "[ . 1]" 1
357 1 38 ASP H 1 38 ASP HB3 . . 4.040 3.560 3.494 3.591 . 0 0 "[ . 1]" 1
358 1 38 ASP H 1 39 GLN H . . 3.260 2.621 2.485 2.744 . 0 0 "[ . 1]" 1
359 1 38 ASP QB 1 39 GLN H . . 4.150 2.503 2.422 2.597 . 0 0 "[ . 1]" 1
360 1 39 GLN H 1 39 GLN HG3 . . 5.500 4.850 4.811 4.866 . 0 0 "[ . 1]" 1
361 1 39 GLN HA 1 40 ILE H . . 3.100 2.414 2.409 2.425 . 0 0 "[ . 1]" 1
362 1 39 GLN QG 1 40 ILE H . . 3.420 1.972 1.941 1.992 . 0 0 "[ . 1]" 1
363 1 39 GLN QG 1 77 ILE QG . . 2.910 2.553 2.039 2.802 . 0 0 "[ . 1]" 1
364 1 40 ILE H 1 40 ILE HB . . 3.960 2.628 2.557 2.786 . 0 0 "[ . 1]" 1
365 1 40 ILE H 1 40 ILE QG . . 3.980 2.695 1.909 2.930 . 0 0 "[ . 1]" 1
366 1 40 ILE H 1 40 ILE HG13 . . 4.520 2.918 2.636 3.510 . 0 0 "[ . 1]" 1
367 1 40 ILE H 1 77 ILE HA . . 4.560 4.117 3.803 4.420 . 0 0 "[ . 1]" 1
368 1 40 ILE H 1 77 ILE QG . . 3.870 3.093 2.704 3.340 . 0 0 "[ . 1]" 1
369 1 40 ILE H 1 77 ILE MG . . 5.500 4.403 4.198 4.455 . 0 0 "[ . 1]" 1
370 1 40 ILE HA 1 40 ILE MG . . 3.360 2.319 2.239 2.380 . 0 0 "[ . 1]" 1
371 1 40 ILE HA 1 41 PHE H . . 3.050 2.153 2.140 2.175 . 0 0 "[ . 1]" 1
372 1 40 ILE HB 1 77 ILE QG . . 3.990 2.228 1.975 2.605 . 0 0 "[ . 1]" 1
373 1 40 ILE QG 1 41 PHE H . . 5.000 4.307 4.193 4.755 . 0 0 "[ . 1]" 1
374 1 40 ILE MG 1 41 PHE H . . 3.740 2.577 2.182 2.941 . 0 0 "[ . 1]" 1
375 1 41 PHE H 1 41 PHE QB . . 3.540 2.207 2.162 2.252 . 0 0 "[ . 1]" 1
376 1 41 PHE HA 1 42 PHE H . . 3.070 2.143 2.139 2.149 . 0 0 "[ . 1]" 1
377 1 41 PHE HA 1 77 ILE MG . . 5.500 2.974 2.868 3.141 . 0 0 "[ . 1]" 1
378 1 41 PHE HA 1 78 ILE H . . 4.140 3.547 3.333 3.724 . 0 0 "[ . 1]" 1
379 1 41 PHE HA 1 78 ILE HB . . 3.500 3.555 3.530 3.632 0.132 5 0 "[ . 1]" 1
380 1 41 PHE HA 1 80 VAL MG2 . . 5.500 3.996 3.790 4.091 . 0 0 "[ . 1]" 1
381 1 41 PHE HA 1 89 PHE QD . . 5.500 5.007 4.898 5.214 . 0 0 "[ . 1]" 1
382 1 41 PHE QB 1 42 PHE H . . 4.310 3.522 3.452 3.572 . 0 0 "[ . 1]" 1
383 1 41 PHE QB 1 80 VAL MG2 . . 4.230 3.393 3.198 3.527 . 0 0 "[ . 1]" 1
384 1 41 PHE QB 1 89 PHE QD . . 3.390 2.394 2.268 2.480 . 0 0 "[ . 1]" 1
385 1 41 PHE QB 1 89 PHE QE . . 3.890 3.170 2.938 3.474 . 0 0 "[ . 1]" 1
386 1 41 PHE HB2 1 89 PHE QD . . 3.940 2.695 2.518 2.870 . 0 0 "[ . 1]" 1
387 1 41 PHE HB3 1 89 PHE QD . . 3.940 2.686 2.573 2.817 . 0 0 "[ . 1]" 1
388 1 42 PHE H 1 42 PHE HB2 . . 3.420 2.241 2.218 2.258 . 0 0 "[ . 1]" 1
389 1 42 PHE H 1 42 PHE HB3 . . 3.730 3.512 3.480 3.526 . 0 0 "[ . 1]" 1
390 1 42 PHE H 1 43 TRP H . . 4.650 4.298 4.267 4.342 . 0 0 "[ . 1]" 1
391 1 42 PHE H 1 77 ILE QG . . 4.460 4.396 4.373 4.429 . 0 0 "[ . 1]" 1
392 1 42 PHE H 1 77 ILE MG . . 4.620 2.408 2.331 2.621 . 0 0 "[ . 1]" 1
393 1 42 PHE H 1 78 ILE H . . 4.680 4.011 3.833 4.452 . 0 0 "[ . 1]" 1
394 1 42 PHE H 1 80 VAL MG2 . . 4.510 3.437 3.361 3.482 . 0 0 "[ . 1]" 1
395 1 42 PHE HA 1 43 TRP H . . 2.980 2.154 2.143 2.159 . 0 0 "[ . 1]" 1
396 1 42 PHE HB2 1 43 TRP H . . 4.660 4.543 4.525 4.553 . 0 0 "[ . 1]" 1
397 1 42 PHE HB2 1 77 ILE MG . . 3.470 2.197 2.019 2.616 . 0 0 "[ . 1]" 1
398 1 42 PHE HB2 1 79 VAL MG2 . . 3.720 3.606 3.595 3.618 . 0 0 "[ . 1]" 1
399 1 42 PHE HB2 1 80 VAL H . . 4.250 4.134 3.908 4.249 . 0 0 "[ . 1]" 1
400 1 42 PHE HB3 1 43 TRP H . . 5.090 3.759 3.703 3.786 . 0 0 "[ . 1]" 1
401 1 42 PHE HB3 1 79 VAL MG2 . . 5.060 4.232 4.096 4.462 . 0 0 "[ . 1]" 1
402 1 42 PHE HB3 1 80 VAL H . . 4.080 4.122 4.108 4.178 0.098 5 0 "[ . 1]" 1
403 1 43 TRP H 1 43 TRP QB . . 3.340 2.227 2.208 2.237 . 0 0 "[ . 1]" 1
404 1 43 TRP H 1 43 TRP HB3 . . 3.940 3.485 3.480 3.493 . 0 0 "[ . 1]" 1
405 1 43 TRP H 1 89 PHE QE . . 5.500 5.584 5.542 5.617 0.117 3 0 "[ . 1]" 1
406 1 43 TRP HA 1 44 ILE H . . 3.110 2.155 2.140 2.168 . 0 0 "[ . 1]" 1
407 1 43 TRP HA 1 44 ILE HA . . 5.500 4.399 4.392 4.411 . 0 0 "[ . 1]" 1
408 1 43 TRP HA 1 44 ILE HB . . 5.450 4.636 4.596 4.677 . 0 0 "[ . 1]" 1
409 1 43 TRP HA 1 80 VAL H . . 4.870 3.711 3.625 3.870 . 0 0 "[ . 1]" 1
410 1 43 TRP HA 1 80 VAL HB . . 3.710 1.972 1.952 1.981 . 0 0 "[ . 1]" 1
411 1 43 TRP HA 1 80 VAL MG1 . . 5.020 3.308 3.142 3.375 . 0 0 "[ . 1]" 1
412 1 43 TRP HA 1 80 VAL MG2 . . 4.610 3.100 3.005 3.197 . 0 0 "[ . 1]" 1
413 1 43 TRP QB 1 43 TRP HD1 . . 3.290 3.004 2.999 3.011 . 0 0 "[ . 1]" 1
414 1 43 TRP HD1 1 44 ILE H . . 4.790 4.867 4.844 4.879 0.089 9 0 "[ . 1]" 1
415 1 43 TRP HD1 1 80 VAL HB . . 3.910 3.179 2.989 3.299 . 0 0 "[ . 1]" 1
416 1 43 TRP HD1 1 80 VAL MG1 . . 4.530 3.555 3.405 3.641 . 0 0 "[ . 1]" 1
417 1 43 TRP HD1 1 80 VAL MG2 . . 3.230 2.295 2.257 2.309 . 0 0 "[ . 1]" 1
418 1 43 TRP HD1 1 89 PHE QE . . 4.210 4.215 4.194 4.239 0.029 6 0 "[ . 1]" 1
419 1 44 ILE H 1 44 ILE HB . . 3.250 2.580 2.519 2.681 . 0 0 "[ . 1]" 1
420 1 44 ILE H 1 80 VAL H . . 4.860 3.550 3.388 4.010 . 0 0 "[ . 1]" 1
421 1 44 ILE H 1 80 VAL HB . . 3.470 2.859 2.730 3.011 . 0 0 "[ . 1]" 1
422 1 44 ILE H 1 81 LYS HA . . 4.180 4.185 4.121 4.215 0.035 1 0 "[ . 1]" 1
423 1 44 ILE HA 1 44 ILE MG . . 3.120 2.347 2.318 2.374 . 0 0 "[ . 1]" 1
424 1 44 ILE HA 1 45 GLY H . . 3.000 2.148 2.143 2.160 . 0 0 "[ . 1]" 1
425 1 44 ILE HA 1 48 ALA MB . . 5.500 3.448 3.372 3.531 . 0 0 "[ . 1]" 1
426 1 44 ILE MG 1 45 GLY H . . 3.530 2.718 2.405 2.971 . 0 0 "[ . 1]" 1
427 1 44 ILE MG 1 81 LYS HA . . 4.630 4.384 4.363 4.399 . 0 0 "[ . 1]" 1
428 1 45 GLY H 1 46 LYS H . . 5.150 4.385 4.356 4.411 . 0 0 "[ . 1]" 1
429 1 45 GLY H 1 48 ALA MB . . 4.360 2.693 2.561 2.805 . 0 0 "[ . 1]" 1
430 1 45 GLY HA2 1 46 LYS H . . 3.290 2.775 2.770 2.783 . 0 0 "[ . 1]" 1
431 1 45 GLY HA2 1 46 LYS HA . . 4.400 4.363 4.363 4.364 . 0 0 "[ . 1]" 1
432 1 45 GLY HA2 1 82 GLN H . . 4.480 3.712 3.551 3.888 . 0 0 "[ . 1]" 1
433 1 45 GLY HA2 1 82 GLN QB . . 3.930 1.977 1.971 1.986 . 0 0 "[ . 1]" 1
434 1 46 LYS H 1 46 LYS QB . . 3.180 2.237 2.212 2.305 . 0 0 "[ . 1]" 1
435 1 46 LYS H 1 46 LYS QG . . 4.000 3.143 2.944 3.281 . 0 0 "[ . 1]" 1
436 1 46 LYS H 1 46 LYS HG3 . . 4.640 3.509 3.204 3.715 . 0 0 "[ . 1]" 1
437 1 46 LYS H 1 47 GLY H . . 3.930 2.209 2.198 2.225 . 0 0 "[ . 1]" 1
438 1 46 LYS H 1 82 GLN QB . . 3.950 2.641 2.390 2.897 . 0 0 "[ . 1]" 1
439 1 47 GLY H 1 48 ALA H . . 3.350 2.462 2.403 2.501 . 0 0 "[ . 1]" 1
440 1 47 GLY H 1 48 ALA MB . . 4.880 4.131 4.073 4.164 . 0 0 "[ . 1]" 1
441 1 48 ALA H 1 48 ALA MB . . 3.320 2.227 2.219 2.231 . 0 0 "[ . 1]" 1
442 1 48 ALA H 1 49 ASN H . . 4.700 4.537 4.511 4.574 . 0 0 "[ . 1]" 1
443 1 48 ALA HA 1 49 ASN H . . 2.940 2.151 2.144 2.168 . 0 0 "[ . 1]" 1
444 1 48 ALA MB 1 49 ASN H . . 3.500 3.114 3.015 3.175 . 0 0 "[ . 1]" 1
445 1 48 ALA MB 1 52 GLU QB . . 3.640 3.196 3.128 3.255 . 0 0 "[ . 1]" 1
446 1 48 ALA MB 1 53 LYS H . . 4.040 3.998 3.960 4.048 0.008 7 0 "[ . 1]" 1
447 1 49 ASN H 1 49 ASN HB3 . . 4.010 3.488 3.482 3.495 . 0 0 "[ . 1]" 1
448 1 49 ASN H 1 52 GLU H . . 4.620 4.312 4.270 4.364 . 0 0 "[ . 1]" 1
449 1 49 ASN H 1 52 GLU QB . . 3.670 3.078 3.054 3.098 . 0 0 "[ . 1]" 1
450 1 49 ASN H 1 52 GLU HB3 . . 4.290 4.367 4.352 4.389 0.099 4 0 "[ . 1]" 1
451 1 49 ASN HA 1 50 GLU H . . 3.370 2.416 2.400 2.432 . 0 0 "[ . 1]" 1
452 1 49 ASN HB3 1 50 GLU H . . 3.500 2.490 2.450 2.531 . 0 0 "[ . 1]" 1
453 1 49 ASN HB3 1 50 GLU HA . . 4.310 4.574 4.562 4.587 0.277 2 0 "[ . 1]" 1
454 1 49 ASN HB3 1 51 SER H . . 4.250 2.394 2.373 2.412 . 0 0 "[ . 1]" 1
455 1 49 ASN HB3 1 51 SER QB . . 4.170 3.132 3.101 3.152 . 0 0 "[ . 1]" 1
456 1 49 ASN HB3 1 52 GLU QB . . 4.380 4.002 3.926 4.056 . 0 0 "[ . 1]" 1
457 1 50 GLU H 1 50 GLU QB . . 3.240 2.342 2.225 2.539 . 0 0 "[ . 1]" 1
458 1 50 GLU H 1 50 GLU HB3 . . 3.900 3.574 3.534 3.605 . 0 0 "[ . 1]" 1
459 1 50 GLU H 1 50 GLU QG . . 3.320 2.551 2.231 2.766 . 0 0 "[ . 1]" 1
460 1 50 GLU H 1 50 GLU HG3 . . 3.940 2.968 2.426 3.619 . 0 0 "[ . 1]" 1
461 1 50 GLU H 1 51 SER H . . 4.020 2.491 2.486 2.494 . 0 0 "[ . 1]" 1
462 1 50 GLU H 1 51 SER QB . . 4.650 4.365 4.348 4.390 . 0 0 "[ . 1]" 1
463 1 50 GLU HA 1 50 GLU QG . . 3.020 2.384 2.206 2.811 . 0 0 "[ . 1]" 1
464 1 50 GLU QB 1 51 SER H . . 3.600 2.782 2.756 2.807 . 0 0 "[ . 1]" 1
465 1 50 GLU HB3 1 51 SER H . . 4.280 3.735 3.585 3.930 . 0 0 "[ . 1]" 1
466 1 50 GLU QG 1 51 SER H . . 4.390 4.199 3.936 4.342 . 0 0 "[ . 1]" 1
467 1 51 SER H 1 51 SER QB . . 3.160 2.230 2.218 2.252 . 0 0 "[ . 1]" 1
468 1 51 SER H 1 52 GLU H . . 3.600 2.543 2.530 2.551 . 0 0 "[ . 1]" 1
469 1 51 SER H 1 54 GLU QG . . 5.000 4.387 4.379 4.399 . 0 0 "[ . 1]" 1
470 1 51 SER HA 1 54 GLU H . . 4.510 3.320 3.312 3.329 . 0 0 "[ . 1]" 1
471 1 51 SER HA 1 54 GLU HB2 . . 3.670 2.590 2.572 2.620 . 0 0 "[ . 1]" 1
472 1 51 SER HA 1 54 GLU QG . . 4.320 2.454 2.433 2.480 . 0 0 "[ . 1]" 1
473 1 51 SER HA 1 55 ALA H . . 5.110 3.832 3.817 3.848 . 0 0 "[ . 1]" 1
474 1 51 SER HA 1 55 ALA MB . . 4.950 4.514 4.500 4.528 . 0 0 "[ . 1]" 1
475 1 51 SER QB 1 52 GLU H . . 3.720 2.586 2.569 2.606 . 0 0 "[ . 1]" 1
476 1 51 SER QB 1 54 GLU H . . 4.700 4.600 4.597 4.607 . 0 0 "[ . 1]" 1
477 1 52 GLU H 1 52 GLU QB . . 3.080 2.542 2.523 2.554 . 0 0 "[ . 1]" 1
478 1 52 GLU H 1 52 GLU HB3 . . 3.920 3.592 3.591 3.593 . 0 0 "[ . 1]" 1
479 1 52 GLU H 1 52 GLU HG3 . . 3.650 1.994 1.970 2.032 . 0 0 "[ . 1]" 1
480 1 52 GLU H 1 53 LYS H . . 3.430 2.878 2.870 2.891 . 0 0 "[ . 1]" 1
481 1 52 GLU H 1 54 GLU H . . 4.850 4.005 3.996 4.014 . 0 0 "[ . 1]" 1
482 1 52 GLU H 1 54 GLU QG . . 5.500 4.979 4.965 5.006 . 0 0 "[ . 1]" 1
483 1 52 GLU HA 1 55 ALA H . . 4.300 3.677 3.667 3.685 . 0 0 "[ . 1]" 1
484 1 52 GLU HA 1 55 ALA MB . . 3.450 3.150 3.136 3.158 . 0 0 "[ . 1]" 1
485 1 52 GLU HA 1 56 ALA H . . 4.400 3.426 3.412 3.451 . 0 0 "[ . 1]" 1
486 1 52 GLU QB 1 53 LYS H . . 3.500 2.370 2.342 2.385 . 0 0 "[ . 1]" 1
487 1 52 GLU HG3 1 53 LYS H . . 4.010 4.157 4.137 4.189 0.179 4 0 "[ . 1]" 1
488 1 53 LYS H 1 53 LYS HB3 . . 3.470 2.250 2.243 2.254 . 0 0 "[ . 1]" 1
489 1 53 LYS H 1 53 LYS QD . . 3.610 3.743 3.729 3.753 0.143 10 0 "[ . 1]" 1
490 1 53 LYS H 1 54 GLU H . . 3.430 2.636 2.629 2.648 . 0 0 "[ . 1]" 1
491 1 53 LYS H 1 54 GLU QG . . 5.500 4.231 4.214 4.248 . 0 0 "[ . 1]" 1
492 1 53 LYS HA 1 53 LYS HG3 . . 4.230 3.673 3.668 3.676 . 0 0 "[ . 1]" 1
493 1 53 LYS HA 1 56 ALA MB . . 3.680 2.952 2.930 2.967 . 0 0 "[ . 1]" 1
494 1 53 LYS HB3 1 54 GLU H . . 3.080 3.001 2.994 3.008 . 0 0 "[ . 1]" 1
495 1 53 LYS HB3 1 54 GLU QG . . 3.800 3.525 3.516 3.534 . 0 0 "[ . 1]" 1
496 1 53 LYS QD 1 54 GLU H . . 4.110 2.833 2.792 2.856 . 0 0 "[ . 1]" 1
497 1 54 GLU H 1 54 GLU HB2 . . 2.850 2.479 2.472 2.488 . 0 0 "[ . 1]" 1
498 1 54 GLU H 1 54 GLU QG . . 3.850 2.422 2.412 2.433 . 0 0 "[ . 1]" 1
499 1 54 GLU H 1 55 ALA H . . 3.620 2.644 2.637 2.651 . 0 0 "[ . 1]" 1
500 1 54 GLU H 1 55 ALA MB . . 4.870 4.277 4.271 4.282 . 0 0 "[ . 1]" 1
501 1 54 GLU H 1 56 ALA H . . 3.890 4.006 4.001 4.010 0.120 8 0 "[ . 1]" 1
502 1 54 GLU H 1 57 ALA MB . . 4.620 4.398 4.385 4.442 . 0 0 "[ . 1]" 1
503 1 54 GLU HA 1 54 GLU HB2 . . 2.990 3.024 3.023 3.024 0.034 9 0 "[ . 1]" 1
504 1 54 GLU HA 1 54 GLU QG . . 3.360 2.519 2.514 2.524 . 0 0 "[ . 1]" 1
505 1 54 GLU HA 1 56 ALA H . . 5.230 4.813 4.798 4.823 . 0 0 "[ . 1]" 1
506 1 54 GLU HA 1 57 ALA H . . 3.720 3.680 3.668 3.686 . 0 0 "[ . 1]" 1
507 1 54 GLU HA 1 57 ALA MB . . 3.100 2.584 2.571 2.615 . 0 0 "[ . 1]" 1
508 1 54 GLU HB2 1 55 ALA H . . 3.240 2.262 2.254 2.271 . 0 0 "[ . 1]" 1
509 1 54 GLU HB2 1 55 ALA MB . . 3.640 3.679 3.675 3.683 0.043 5 0 "[ . 1]" 1
510 1 54 GLU QG 1 55 ALA H . . 4.260 3.867 3.859 3.878 . 0 0 "[ . 1]" 1
511 1 55 ALA H 1 55 ALA MB . . 3.090 2.148 2.133 2.157 . 0 0 "[ . 1]" 1
512 1 55 ALA H 1 56 ALA H . . 3.380 2.761 2.758 2.765 . 0 0 "[ . 1]" 1
513 1 55 ALA H 1 56 ALA MB . . 4.820 4.390 4.387 4.393 . 0 0 "[ . 1]" 1
514 1 55 ALA H 1 57 ALA H . . 4.280 3.917 3.903 3.936 . 0 0 "[ . 1]" 1
515 1 55 ALA H 1 57 ALA MB . . 4.830 4.547 4.524 4.580 . 0 0 "[ . 1]" 1
516 1 55 ALA HA 1 58 GLU H . . 3.850 3.452 3.427 3.512 . 0 0 "[ . 1]" 1
517 1 55 ALA HA 1 58 GLU HB2 . . 3.540 3.039 2.944 3.097 . 0 0 "[ . 1]" 1
518 1 55 ALA HA 1 58 GLU QG . . 3.780 3.734 3.568 3.783 0.003 2 0 "[ . 1]" 1
519 1 55 ALA HA 1 59 THR H . . 5.500 3.982 3.890 4.060 . 0 0 "[ . 1]" 1
520 1 55 ALA MB 1 56 ALA H . . 3.610 2.376 2.370 2.391 . 0 0 "[ . 1]" 1
521 1 55 ALA MB 1 56 ALA MB . . 3.980 3.571 3.564 3.585 . 0 0 "[ . 1]" 1
522 1 55 ALA MB 1 57 ALA H . . 4.520 4.223 4.213 4.238 . 0 0 "[ . 1]" 1
523 1 56 ALA H 1 56 ALA MB . . 2.990 2.156 2.155 2.158 . 0 0 "[ . 1]" 1
524 1 56 ALA H 1 57 ALA H . . 3.370 2.661 2.655 2.672 . 0 0 "[ . 1]" 1
525 1 56 ALA HA 1 59 THR H . . 3.610 3.584 3.499 3.624 0.014 7 0 "[ . 1]" 1
526 1 56 ALA HA 1 59 THR HB . . 3.770 2.619 2.533 2.756 . 0 0 "[ . 1]" 1
527 1 56 ALA HA 1 59 THR MG . . 5.500 3.922 3.842 4.025 . 0 0 "[ . 1]" 1
528 1 56 ALA MB 1 57 ALA H . . 3.130 2.861 2.844 2.875 . 0 0 "[ . 1]" 1
529 1 56 ALA MB 1 59 THR HB . . 5.500 4.073 3.983 4.158 . 0 0 "[ . 1]" 1
530 1 57 ALA H 1 57 ALA MB . . 2.780 2.110 2.109 2.112 . 0 0 "[ . 1]" 1
531 1 57 ALA H 1 58 GLU H . . 3.190 2.561 2.542 2.609 . 0 0 "[ . 1]" 1
532 1 57 ALA H 1 58 GLU HB2 . . 4.590 4.591 4.557 4.610 0.020 4 0 "[ . 1]" 1
533 1 57 ALA HA 1 59 THR H . . 5.500 4.580 4.485 4.694 . 0 0 "[ . 1]" 1
534 1 57 ALA HA 1 60 ALA H . . 4.190 3.818 3.660 3.892 . 0 0 "[ . 1]" 1
535 1 57 ALA HA 1 60 ALA MB . . 3.500 3.080 2.884 3.190 . 0 0 "[ . 1]" 1
536 1 57 ALA MB 1 58 GLU H . . 3.430 2.607 2.527 2.640 . 0 0 "[ . 1]" 1
537 1 57 ALA MB 1 58 GLU QG . . 5.090 3.394 3.356 3.450 . 0 0 "[ . 1]" 1
538 1 58 GLU H 1 58 GLU HB2 . . 2.970 2.311 2.298 2.319 . 0 0 "[ . 1]" 1
539 1 58 GLU H 1 58 GLU QG . . 3.480 2.734 2.692 2.770 . 0 0 "[ . 1]" 1
540 1 58 GLU H 1 58 GLU HG3 . . 3.980 3.138 3.086 3.180 . 0 0 "[ . 1]" 1
541 1 58 GLU H 1 59 THR H . . 3.410 2.536 2.473 2.600 . 0 0 "[ . 1]" 1
542 1 58 GLU HA 1 58 GLU QG . . 3.480 2.266 2.253 2.295 . 0 0 "[ . 1]" 1
543 1 58 GLU HA 1 61 GLN H . . 3.690 3.298 3.227 3.357 . 0 0 "[ . 1]" 1
544 1 58 GLU HA 1 61 GLN HB2 . . 2.950 2.882 2.811 2.964 0.014 7 0 "[ . 1]" 1
545 1 58 GLU HB2 1 59 THR H . . 3.490 2.717 2.651 2.780 . 0 0 "[ . 1]" 1
546 1 58 GLU QG 1 59 THR H . . 4.780 4.206 4.186 4.224 . 0 0 "[ . 1]" 1
547 1 59 THR H 1 59 THR HB . . 3.380 2.549 2.530 2.573 . 0 0 "[ . 1]" 1
548 1 59 THR HA 1 59 THR MG . . 3.670 2.357 2.328 2.418 . 0 0 "[ . 1]" 1
549 1 59 THR HA 1 61 GLN H . . 4.370 4.437 4.427 4.452 0.082 9 0 "[ . 1]" 1
550 1 59 THR HA 1 62 GLU H . . 4.310 3.735 3.705 3.768 . 0 0 "[ . 1]" 1
551 1 59 THR HA 1 62 GLU HB2 . . 3.640 3.653 3.641 3.666 0.026 4 0 "[ . 1]" 1
552 1 59 THR HA 1 62 GLU QG . . 5.340 2.827 2.580 3.099 . 0 0 "[ . 1]" 1
553 1 59 THR HA 1 63 TYR H . . 5.500 5.548 5.523 5.579 0.079 6 0 "[ . 1]" 1
554 1 59 THR HB 1 60 ALA H . . 3.580 2.808 2.788 2.818 . 0 0 "[ . 1]" 1
555 1 59 THR MG 1 60 ALA H . . 4.990 3.590 3.546 3.629 . 0 0 "[ . 1]" 1
556 1 60 ALA H 1 60 ALA MB . . 3.120 2.107 2.107 2.108 . 0 0 "[ . 1]" 1
557 1 60 ALA H 1 61 GLN H . . 3.610 2.590 2.566 2.614 . 0 0 "[ . 1]" 1
558 1 60 ALA HA 1 63 TYR H . . 5.500 3.447 3.440 3.464 . 0 0 "[ . 1]" 1
559 1 60 ALA HA 1 63 TYR HB3 . . 3.810 3.493 3.445 3.534 . 0 0 "[ . 1]" 1
560 1 60 ALA HA 1 63 TYR QD . . 5.500 5.191 5.067 5.238 . 0 0 "[ . 1]" 1
561 1 60 ALA HA 1 64 LEU MD2 . . 5.500 3.919 3.907 3.961 . 0 0 "[ . 1]" 1
562 1 60 ALA MB 1 61 GLN H . . 3.370 2.667 2.657 2.682 . 0 0 "[ . 1]" 1
563 1 60 ALA MB 1 61 GLN HB2 . . 5.500 4.571 4.494 4.724 . 0 0 "[ . 1]" 1
564 1 60 ALA MB 1 61 GLN QG . . 5.340 3.822 3.596 3.929 . 0 0 "[ . 1]" 1
565 1 60 ALA MB 1 61 GLN HG3 . . 5.500 4.413 3.962 4.670 . 0 0 "[ . 1]" 1
566 1 60 ALA MB 1 63 TYR HB3 . . 5.500 4.129 4.108 4.168 . 0 0 "[ . 1]" 1
567 1 60 ALA MB 1 64 LEU HB2 . . 5.440 5.091 5.086 5.116 . 0 0 "[ . 1]" 1
568 1 60 ALA MB 1 64 LEU HG . . 4.700 4.478 4.455 4.487 . 0 0 "[ . 1]" 1
569 1 61 GLN H 1 61 GLN HB2 . . 2.990 2.300 2.232 2.450 . 0 0 "[ . 1]" 1
570 1 61 GLN H 1 61 GLN QG . . 3.460 2.676 2.426 2.801 . 0 0 "[ . 1]" 1
571 1 61 GLN H 1 61 GLN HG3 . . 3.970 2.946 2.527 3.196 . 0 0 "[ . 1]" 1
572 1 61 GLN H 1 62 GLU H . . 3.420 2.771 2.765 2.774 . 0 0 "[ . 1]" 1
573 1 61 GLN HA 1 61 GLN QG . . 3.550 2.181 2.107 2.358 . 0 0 "[ . 1]" 1
574 1 61 GLN HA 1 64 LEU H . . 5.260 3.212 3.187 3.219 . 0 0 "[ . 1]" 1
575 1 61 GLN HA 1 64 LEU HB2 . . 3.130 2.402 2.373 2.415 . 0 0 "[ . 1]" 1
576 1 61 GLN HA 1 64 LEU MD2 . . 4.160 2.693 2.685 2.697 . 0 0 "[ . 1]" 1
577 1 61 GLN HB2 1 62 GLU H . . 3.670 2.956 2.870 3.002 . 0 0 "[ . 1]" 1
578 1 62 GLU H 1 62 GLU HB2 . . 3.060 2.353 2.314 2.389 . 0 0 "[ . 1]" 1
579 1 62 GLU H 1 63 TYR H . . 3.690 2.729 2.725 2.735 . 0 0 "[ . 1]" 1
580 1 62 GLU HB2 1 63 TYR H . . 4.180 2.718 2.695 2.739 . 0 0 "[ . 1]" 1
581 1 63 TYR H 1 63 TYR HB3 . . 3.490 2.359 2.312 2.367 . 0 0 "[ . 1]" 1
582 1 63 TYR H 1 64 LEU H . . 3.850 2.529 2.508 2.533 . 0 0 "[ . 1]" 1
583 1 63 TYR HA 1 63 TYR QD . . 3.170 3.043 3.030 3.047 . 0 0 "[ . 1]" 1
584 1 63 TYR HB3 1 64 LEU H . . 3.500 2.702 2.683 2.804 . 0 0 "[ . 1]" 1
585 1 63 TYR QD 1 64 LEU H . . 4.150 3.133 3.125 3.158 . 0 0 "[ . 1]" 1
586 1 63 TYR QD 1 64 LEU HA . . 4.100 2.885 2.871 2.970 . 0 0 "[ . 1]" 1
587 1 63 TYR QD 1 64 LEU HB2 . . 4.660 4.680 4.677 4.688 0.028 7 0 "[ . 1]" 1
588 1 63 TYR QD 1 64 LEU MD1 . . 4.600 3.679 3.609 3.839 . 0 0 "[ . 1]" 1
589 1 63 TYR QD 1 64 LEU MD2 . . 3.500 1.932 1.930 1.933 . 0 0 "[ . 1]" 1
590 1 63 TYR QD 1 64 LEU HG . . 4.860 4.940 4.921 4.944 0.084 6 0 "[ . 1]" 1
591 1 63 TYR QE 1 64 LEU MD2 . . 4.900 3.647 3.467 3.675 . 0 0 "[ . 1]" 1
592 1 64 LEU H 1 64 LEU HB2 . . 3.210 2.266 2.244 2.271 . 0 0 "[ . 1]" 1
593 1 64 LEU H 1 64 LEU MD1 . . 5.500 3.921 3.904 3.998 . 0 0 "[ . 1]" 1
594 1 64 LEU H 1 64 LEU MD2 . . 3.600 2.067 2.056 2.115 . 0 0 "[ . 1]" 1
595 1 64 LEU H 1 64 LEU HG . . 3.360 3.733 3.717 3.737 0.377 2 0 "[ . 1]" 1
596 1 64 LEU HA 1 64 LEU MD1 . . 3.790 2.279 2.180 2.407 . 0 0 "[ . 1]" 1
597 1 64 LEU HA 1 64 LEU MD2 . . 3.290 2.180 2.080 2.197 . 0 0 "[ . 1]" 1
598 1 64 LEU HB2 1 64 LEU MD1 . . 3.650 3.161 3.148 3.169 . 0 0 "[ . 1]" 1
599 1 64 LEU HB2 1 64 LEU MD2 . . 3.110 2.515 2.509 2.541 . 0 0 "[ . 1]" 1
600 1 64 LEU HB2 1 65 ARG H . . 3.390 2.852 2.710 2.959 . 0 0 "[ . 1]" 1
601 1 64 LEU MD1 1 64 LEU MD2 . . 2.500 2.037 2.031 2.045 . 0 0 "[ . 1]" 1
602 1 64 LEU MD2 1 65 ARG H . . 5.060 4.112 4.099 4.158 . 0 0 "[ . 1]" 1
603 1 65 ARG H 1 65 ARG QB . . 3.330 2.472 2.295 2.543 . 0 0 "[ . 1]" 1
604 1 65 ARG H 1 65 ARG QG . . 4.350 2.320 2.085 2.664 . 0 0 "[ . 1]" 1
605 1 65 ARG H 1 65 ARG HG3 . . 5.150 2.741 2.395 3.335 . 0 0 "[ . 1]" 1
606 1 65 ARG QB 1 65 ARG QD . . 3.290 2.050 1.993 2.139 . 0 0 "[ . 1]" 1
607 1 65 ARG QB 1 66 SER H . . 3.860 2.877 2.784 3.010 . 0 0 "[ . 1]" 1
608 1 66 SER H 1 66 SER QB . . 3.260 2.284 2.187 2.410 . 0 0 "[ . 1]" 1
609 1 66 SER H 1 67 HIS H . . 3.770 2.629 2.439 2.832 . 0 0 "[ . 1]" 1
610 1 71 ARG H 1 71 ARG QB . . 3.200 2.264 2.220 2.299 . 0 0 "[ . 1]" 1
611 1 71 ARG HA 1 72 ASP H . . 3.200 3.023 3.010 3.046 . 0 0 "[ . 1]" 1
612 1 71 ARG QB 1 72 ASP H . . 3.660 3.688 3.665 3.700 0.040 8 0 "[ . 1]" 1
613 1 71 ARG HB3 1 72 ASP H . . 4.350 4.270 4.251 4.285 . 0 0 "[ . 1]" 1
614 1 72 ASP H 1 72 ASP QB . . 3.070 2.297 2.183 2.497 . 0 0 "[ . 1]" 1
615 1 72 ASP H 1 73 LEU H . . 4.210 2.500 2.027 2.713 . 0 0 "[ . 1]" 1
616 1 72 ASP HA 1 73 LEU H . . 3.400 3.439 3.420 3.462 0.062 5 0 "[ . 1]" 1
617 1 72 ASP HA 1 74 ASP H . . 4.910 4.479 3.876 4.917 0.007 9 0 "[ . 1]" 1
618 1 73 LEU H 1 73 LEU QB . . 3.600 2.358 2.308 2.386 . 0 0 "[ . 1]" 1
619 1 73 LEU H 1 74 ASP H . . 3.860 2.327 2.147 2.513 . 0 0 "[ . 1]" 1
620 1 73 LEU H 1 75 THR H . . 4.320 3.832 3.444 4.310 . 0 0 "[ . 1]" 1
621 1 73 LEU HA 1 73 LEU MD2 . . 2.900 2.794 2.792 2.797 . 0 0 "[ . 1]" 1
622 1 73 LEU HA 1 75 THR H . . 3.920 3.912 3.832 3.932 0.012 8 0 "[ . 1]" 1
623 1 73 LEU QB 1 73 LEU MD1 . . 2.600 1.903 1.902 1.905 . 0 0 "[ . 1]" 1
624 1 73 LEU QB 1 73 LEU MD2 . . 3.220 2.086 2.084 2.087 . 0 0 "[ . 1]" 1
625 1 73 LEU QB 1 74 ASP H . . 4.240 2.670 2.356 2.921 . 0 0 "[ . 1]" 1
626 1 73 LEU HB3 1 73 LEU MD1 . . 3.080 2.808 2.805 2.809 . 0 0 "[ . 1]" 1
627 1 73 LEU HB3 1 73 LEU MD2 . . 3.290 2.127 2.124 2.128 . 0 0 "[ . 1]" 1
628 1 74 ASP H 1 74 ASP QB . . 3.430 2.335 2.165 2.555 . 0 0 "[ . 1]" 1
629 1 74 ASP H 1 75 THR H . . 3.500 2.631 2.470 2.747 . 0 0 "[ . 1]" 1
630 1 74 ASP QB 1 75 THR H . . 4.230 2.883 2.764 3.056 . 0 0 "[ . 1]" 1
631 1 75 THR H 1 75 THR HB . . 3.290 2.748 2.524 3.000 . 0 0 "[ . 1]" 1
632 1 75 THR HA 1 75 THR MG . . 3.320 2.275 2.066 2.414 . 0 0 "[ . 1]" 1
633 1 75 THR HA 1 76 PRO QB . . 5.230 4.590 4.536 4.671 . 0 0 "[ . 1]" 1
634 1 75 THR HA 1 76 PRO QD . . 2.900 1.916 1.881 1.942 . 0 0 "[ . 1]" 1
635 1 75 THR HA 1 76 PRO HD3 . . 3.440 2.402 2.258 2.614 . 0 0 "[ . 1]" 1
636 1 76 PRO HA 1 77 ILE H . . 2.980 2.317 2.240 2.434 . 0 0 "[ . 1]" 1
637 1 76 PRO QB 1 77 ILE H . . 3.770 2.744 2.465 2.940 . 0 0 "[ . 1]" 1
638 1 76 PRO QG 1 77 ILE H . . 4.450 4.314 4.108 4.452 0.002 1 0 "[ . 1]" 1
639 1 77 ILE H 1 77 ILE HB . . 3.200 2.353 2.277 2.471 . 0 0 "[ . 1]" 1
640 1 77 ILE H 1 77 ILE QG . . 4.270 3.036 2.762 3.309 . 0 0 "[ . 1]" 1
641 1 77 ILE H 1 77 ILE MG . . 4.300 3.690 3.602 3.730 . 0 0 "[ . 1]" 1
642 1 77 ILE HA 1 77 ILE QG . . 3.780 2.196 2.085 2.241 . 0 0 "[ . 1]" 1
643 1 77 ILE HA 1 77 ILE MG . . 3.450 2.507 2.457 2.603 . 0 0 "[ . 1]" 1
644 1 77 ILE HA 1 78 ILE H . . 3.100 2.212 2.182 2.234 . 0 0 "[ . 1]" 1
645 1 77 ILE MG 1 78 ILE H . . 3.430 2.140 2.031 2.359 . 0 0 "[ . 1]" 1
646 1 77 ILE MG 1 79 VAL H . . 5.090 3.516 3.299 3.616 . 0 0 "[ . 1]" 1
647 1 78 ILE H 1 78 ILE HB . . 3.450 2.483 2.346 2.808 . 0 0 "[ . 1]" 1
648 1 78 ILE H 1 78 ILE MD . . 4.370 2.949 2.638 3.634 . 0 0 "[ . 1]" 1
649 1 78 ILE H 1 78 ILE QG . . 3.770 2.723 1.907 3.112 . 0 0 "[ . 1]" 1
650 1 78 ILE HA 1 78 ILE MD . . 4.310 3.644 3.544 3.860 . 0 0 "[ . 1]" 1
651 1 78 ILE HA 1 78 ILE MG . . 3.140 2.385 2.158 2.483 . 0 0 "[ . 1]" 1
652 1 78 ILE HA 1 79 VAL H . . 2.920 2.196 2.179 2.216 . 0 0 "[ . 1]" 1
653 1 78 ILE HA 1 79 VAL HB . . 4.530 4.584 4.575 4.593 0.063 5 0 "[ . 1]" 1
654 1 78 ILE HB 1 78 ILE MD . . 3.280 2.252 2.163 2.456 . 0 0 "[ . 1]" 1
655 1 78 ILE HB 1 78 ILE QG . . 2.530 2.474 2.318 2.540 0.010 1 0 "[ . 1]" 1
656 1 78 ILE MD 1 78 ILE MG . . 3.190 2.607 2.015 2.864 . 0 0 "[ . 1]" 1
657 1 78 ILE MG 1 79 VAL H . . 3.340 3.205 3.173 3.235 . 0 0 "[ . 1]" 1
658 1 79 VAL H 1 79 VAL HB . . 3.150 2.512 2.504 2.530 . 0 0 "[ . 1]" 1
659 1 79 VAL H 1 79 VAL MG2 . . 3.150 2.273 2.220 2.314 . 0 0 "[ . 1]" 1
660 1 79 VAL H 1 80 VAL H . . 4.810 4.616 4.610 4.628 . 0 0 "[ . 1]" 1
661 1 79 VAL HA 1 80 VAL H . . 2.970 2.216 2.208 2.243 . 0 0 "[ . 1]" 1
662 1 79 VAL HB 1 80 VAL H . . 3.980 4.000 3.923 4.020 0.040 9 0 "[ . 1]" 1
663 1 79 VAL MG1 1 80 VAL H . . 3.600 2.091 1.922 2.262 . 0 0 "[ . 1]" 1
664 1 80 VAL H 1 80 VAL HB . . 3.690 2.774 2.681 2.823 . 0 0 "[ . 1]" 1
665 1 80 VAL H 1 80 VAL MG2 . . 3.670 2.667 2.627 2.791 . 0 0 "[ . 1]" 1
666 1 80 VAL H 1 81 LYS H . . 5.060 4.416 4.349 4.479 . 0 0 "[ . 1]" 1
667 1 80 VAL HA 1 81 LYS H . . 2.880 2.217 2.185 2.267 . 0 0 "[ . 1]" 1
668 1 80 VAL HB 1 81 LYS HA . . 5.500 4.765 4.692 4.819 . 0 0 "[ . 1]" 1
669 1 80 VAL MG1 1 81 LYS H . . 4.280 2.203 2.115 2.281 . 0 0 "[ . 1]" 1
670 1 80 VAL MG1 1 81 LYS HA . . 5.500 3.804 3.662 3.859 . 0 0 "[ . 1]" 1
671 1 80 VAL MG1 1 84 PHE HB2 . . 4.680 2.963 2.883 3.022 . 0 0 "[ . 1]" 1
672 1 81 LYS H 1 81 LYS HB3 . . 3.110 3.509 3.494 3.540 0.430 5 0 "[ . 1]" 1
673 1 81 LYS H 1 81 LYS HG2 . . 3.870 4.066 3.857 4.237 0.367 8 0 "[ . 1]" 1
674 1 81 LYS H 1 82 GLN H . . 4.840 4.533 4.506 4.551 . 0 0 "[ . 1]" 1
675 1 81 LYS H 1 84 PHE HB2 . . 4.390 3.539 3.384 3.604 . 0 0 "[ . 1]" 1
676 1 81 LYS H 1 84 PHE HB3 . . 5.500 5.074 4.944 5.130 . 0 0 "[ . 1]" 1
677 1 81 LYS HA 1 81 LYS HG2 . . 3.820 2.175 2.109 2.310 . 0 0 "[ . 1]" 1
678 1 81 LYS HA 1 82 GLN H . . 2.940 2.421 2.412 2.429 . 0 0 "[ . 1]" 1
679 1 81 LYS HA 1 84 PHE QD . . 4.080 4.146 4.126 4.157 0.077 8 0 "[ . 1]" 1
680 1 81 LYS HA 1 84 PHE QE . . 4.870 4.546 4.513 4.578 . 0 0 "[ . 1]" 1
681 1 81 LYS HB3 1 82 GLN H . . 3.800 2.480 2.460 2.499 . 0 0 "[ . 1]" 1
682 1 81 LYS HB3 1 83 GLY HA3 . . 4.900 5.258 5.248 5.267 0.367 8 0 "[ . 1]" 1
683 1 81 LYS HB3 1 84 PHE HB2 . . 5.070 5.142 5.027 5.236 0.166 8 0 "[ . 1]" 1
684 1 81 LYS HB3 1 84 PHE QD . . 3.250 2.841 2.755 2.920 . 0 0 "[ . 1]" 1
685 1 81 LYS HB3 1 84 PHE QE . . 3.800 1.988 1.985 1.992 . 0 0 "[ . 1]" 1
686 1 81 LYS HG2 1 82 GLN H . . 3.570 3.413 3.290 3.551 . 0 0 "[ . 1]" 1
687 1 82 GLN H 1 82 GLN QB . . 3.240 2.248 2.212 2.271 . 0 0 "[ . 1]" 1
688 1 82 GLN H 1 84 PHE H . . 5.500 5.261 5.239 5.295 . 0 0 "[ . 1]" 1
689 1 82 GLN HA 1 83 GLY H . . 3.050 2.147 2.145 2.152 . 0 0 "[ . 1]" 1
690 1 83 GLY H 1 84 PHE H . . 3.560 1.891 1.883 1.896 . 0 0 "[ . 1]" 1
691 1 84 PHE H 1 84 PHE HB2 . . 3.340 2.946 2.930 2.967 . 0 0 "[ . 1]" 1
692 1 84 PHE H 1 84 PHE HB3 . . 4.170 3.916 3.908 3.929 . 0 0 "[ . 1]" 1
693 1 84 PHE H 1 84 PHE QD . . 3.730 3.005 2.956 3.038 . 0 0 "[ . 1]" 1
694 1 84 PHE H 1 84 PHE QE . . 4.710 4.737 4.732 4.745 0.035 2 0 "[ . 1]" 1
695 1 84 PHE H 1 85 GLU H . . 3.960 4.014 3.999 4.025 0.065 3 0 "[ . 1]" 1
696 1 84 PHE H 1 85 GLU HA . . 5.450 4.686 4.666 4.697 . 0 0 "[ . 1]" 1
697 1 84 PHE HB2 1 85 GLU H . . 5.500 4.248 4.242 4.253 . 0 0 "[ . 1]" 1
698 1 87 PRO HA 1 90 THR H . . 4.460 3.702 3.678 3.721 . 0 0 "[ . 1]" 1
699 1 87 PRO HA 1 91 GLY H . . 5.300 4.534 4.338 4.698 . 0 0 "[ . 1]" 1
700 1 87 PRO QB 1 88 THR H . . 3.880 3.478 3.456 3.498 . 0 0 "[ . 1]" 1
701 1 87 PRO QB 1 102 SER HB3 . . 4.220 3.563 3.289 3.859 . 0 0 "[ . 1]" 1
702 1 87 PRO HG3 1 88 THR H . . 4.080 4.222 4.192 4.251 0.171 3 0 "[ . 1]" 1
703 1 87 PRO HG3 1 88 THR MG . . 3.750 4.165 4.158 4.178 0.428 9 0 "[ . 1]" 1
704 1 87 PRO HG3 1 102 SER HA . . 4.990 4.996 4.994 5.002 0.012 3 0 "[ . 1]" 1
705 1 87 PRO HG3 1 102 SER HB3 . . 2.760 2.626 2.581 2.730 . 0 0 "[ . 1]" 1
706 1 88 THR H 1 88 THR MG . . 3.630 1.904 1.901 1.907 . 0 0 "[ . 1]" 1
707 1 88 THR HA 1 88 THR MG . . 3.230 2.523 2.518 2.530 . 0 0 "[ . 1]" 1
708 1 88 THR HB 1 89 PHE H . . 3.520 3.766 3.762 3.769 0.249 3 0 "[ . 1]" 1
709 1 88 THR MG 1 89 PHE H . . 3.530 3.466 3.458 3.474 . 0 0 "[ . 1]" 1
710 1 89 PHE H 1 89 PHE HB2 . . 3.270 2.975 2.958 2.996 . 0 0 "[ . 1]" 1
711 1 89 PHE H 1 89 PHE HB3 . . 3.450 2.169 2.161 2.176 . 0 0 "[ . 1]" 1
712 1 89 PHE H 1 89 PHE QD . . 3.900 3.862 3.843 3.884 . 0 0 "[ . 1]" 1
713 1 89 PHE H 1 90 THR H . . 3.310 2.733 2.701 2.783 . 0 0 "[ . 1]" 1
714 1 89 PHE H 1 91 GLY H . . 5.210 4.150 4.107 4.191 . 0 0 "[ . 1]" 1
715 1 89 PHE H 1 92 TRP HE1 . . 4.790 4.901 4.892 4.912 0.122 1 0 "[ . 1]" 1
716 1 89 PHE HA 1 89 PHE QD . . 3.940 3.122 3.101 3.139 . 0 0 "[ . 1]" 1
717 1 89 PHE HA 1 90 THR HA . . 5.380 4.869 4.866 4.871 . 0 0 "[ . 1]" 1
718 1 89 PHE HA 1 92 TRP H . . 4.510 3.681 3.671 3.699 . 0 0 "[ . 1]" 1
719 1 89 PHE HA 1 92 TRP HD1 . . 3.240 1.970 1.955 1.979 . 0 0 "[ . 1]" 1
720 1 89 PHE HA 1 92 TRP HE1 . . 4.980 2.676 2.646 2.710 . 0 0 "[ . 1]" 1
721 1 89 PHE HB2 1 90 THR H . . 4.290 4.024 4.011 4.034 . 0 0 "[ . 1]" 1
722 1 89 PHE HB2 1 92 TRP HD1 . . 3.860 3.303 3.276 3.335 . 0 0 "[ . 1]" 1
723 1 89 PHE HB3 1 90 THR H . . 3.660 2.755 2.739 2.766 . 0 0 "[ . 1]" 1
724 1 89 PHE HB3 1 92 TRP HD1 . . 4.220 4.381 4.363 4.419 0.199 7 0 "[ . 1]" 1
725 1 89 PHE QD 1 90 THR H . . 4.180 2.445 2.438 2.453 . 0 0 "[ . 1]" 1
726 1 89 PHE QD 1 90 THR HA . . 4.010 3.076 3.035 3.130 . 0 0 "[ . 1]" 1
727 1 89 PHE QD 1 90 THR HB . . 4.730 4.657 4.643 4.672 . 0 0 "[ . 1]" 1
728 1 89 PHE QD 1 90 THR MG . . 4.090 3.766 3.749 3.787 . 0 0 "[ . 1]" 1
729 1 89 PHE QD 1 92 TRP HB2 . . 3.850 4.071 4.050 4.096 0.246 6 0 "[ . 1]" 1
730 1 89 PHE QD 1 92 TRP HD1 . . 4.140 2.579 2.545 2.606 . 0 0 "[ . 1]" 1
731 1 89 PHE QE 1 90 THR H . . 4.710 4.432 4.414 4.448 . 0 0 "[ . 1]" 1
732 1 89 PHE QE 1 90 THR MG . . 3.620 3.631 3.624 3.638 0.018 8 0 "[ . 1]" 1
733 1 89 PHE QE 1 92 TRP HB2 . . 4.520 4.417 4.392 4.438 . 0 0 "[ . 1]" 1
734 1 90 THR H 1 90 THR MG . . 4.140 3.621 3.620 3.623 . 0 0 "[ . 1]" 1
735 1 90 THR H 1 91 GLY H . . 3.890 2.810 2.808 2.812 . 0 0 "[ . 1]" 1
736 1 90 THR HA 1 90 THR MG . . 3.670 2.229 2.226 2.232 . 0 0 "[ . 1]" 1
737 1 90 THR HA 1 91 GLY QA . . 5.340 4.503 4.501 4.505 . 0 0 "[ . 1]" 1
738 1 90 THR HA 1 92 TRP H . . 3.960 3.672 3.659 3.692 . 0 0 "[ . 1]" 1
739 1 90 THR HA 1 93 PHE H . . 5.500 3.590 3.461 3.775 . 0 0 "[ . 1]" 1
740 1 90 THR HA 1 93 PHE QD . . 3.430 3.383 3.147 3.461 0.031 6 0 "[ . 1]" 1
741 1 90 THR HB 1 91 GLY H . . 4.430 2.793 2.779 2.809 . 0 0 "[ . 1]" 1
742 1 90 THR HB 1 96 TRP HE3 . . 5.200 4.494 4.060 4.684 . 0 0 "[ . 1]" 1
743 1 90 THR MG 1 91 GLY H . . 4.340 4.016 4.009 4.023 . 0 0 "[ . 1]" 1
744 1 90 THR MG 1 92 TRP H . . 5.460 4.785 4.771 4.804 . 0 0 "[ . 1]" 1
745 1 90 THR MG 1 96 TRP HE3 . . 5.500 4.857 4.741 4.922 . 0 0 "[ . 1]" 1
746 1 91 GLY H 1 92 TRP H . . 3.810 2.747 2.742 2.752 . 0 0 "[ . 1]" 1
747 1 91 GLY H 1 96 TRP HE3 . . 5.500 4.689 4.302 5.039 . 0 0 "[ . 1]" 1
748 1 92 TRP H 1 92 TRP HB2 . . 3.400 2.456 2.440 2.471 . 0 0 "[ . 1]" 1
749 1 92 TRP H 1 92 TRP HE1 . . 5.500 4.961 4.920 5.000 . 0 0 "[ . 1]" 1
750 1 92 TRP H 1 93 PHE H . . 3.310 2.518 2.481 2.562 . 0 0 "[ . 1]" 1
751 1 92 TRP H 1 93 PHE QD . . 3.920 3.655 3.337 3.783 . 0 0 "[ . 1]" 1
752 1 92 TRP HB2 1 92 TRP HD1 . . 3.540 2.551 2.548 2.553 . 0 0 "[ . 1]" 1
753 1 92 TRP HB2 1 93 PHE H . . 4.150 3.184 3.060 3.351 . 0 0 "[ . 1]" 1
754 1 93 PHE H 1 93 PHE HB2 . . 3.780 2.251 2.216 2.373 . 0 0 "[ . 1]" 1
755 1 93 PHE H 1 93 PHE QB . . 3.210 2.227 2.193 2.343 . 0 0 "[ . 1]" 1
756 1 93 PHE H 1 93 PHE HB3 . . 3.780 3.536 3.514 3.616 . 0 0 "[ . 1]" 1
757 1 93 PHE H 1 93 PHE QD . . 3.790 2.418 2.378 2.477 . 0 0 "[ . 1]" 1
758 1 93 PHE H 1 94 MET H . . 4.570 4.559 4.516 4.577 0.007 5 0 "[ . 1]" 1
759 1 93 PHE HA 1 93 PHE QD . . 4.280 2.829 2.741 3.061 . 0 0 "[ . 1]" 1
760 1 93 PHE HA 1 94 MET H . . 3.200 2.503 2.502 2.506 . 0 0 "[ . 1]" 1
761 1 93 PHE QB 1 94 MET H . . 3.450 2.221 2.189 2.234 . 0 0 "[ . 1]" 1
762 1 93 PHE QB 1 95 ALA H . . 3.990 2.204 2.175 2.292 . 0 0 "[ . 1]" 1
763 1 94 MET H 1 94 MET QG . . 3.830 2.027 1.911 2.086 . 0 0 "[ . 1]" 1
764 1 94 MET H 1 94 MET HG3 . . 4.370 2.678 2.319 3.514 . 0 0 "[ . 1]" 1
765 1 94 MET H 1 95 ALA H . . 3.590 2.397 2.342 2.460 . 0 0 "[ . 1]" 1
766 1 94 MET HA 1 95 ALA H . . 3.350 3.403 3.393 3.418 0.068 4 0 "[ . 1]" 1
767 1 94 MET QB 1 95 ALA H . . 3.810 3.139 3.095 3.166 . 0 0 "[ . 1]" 1
768 1 94 MET QB 1 95 ALA MB . . 3.790 3.590 3.563 3.609 . 0 0 "[ . 1]" 1
769 1 94 MET QG 1 95 ALA H . . 4.450 3.810 3.785 3.827 . 0 0 "[ . 1]" 1
770 1 94 MET QG 1 95 ALA MB . . 4.920 4.658 4.647 4.676 . 0 0 "[ . 1]" 1
771 1 94 MET HG3 1 95 ALA H . . 5.090 4.455 4.152 5.100 0.010 4 0 "[ . 1]" 1
772 1 95 ALA H 1 95 ALA MB . . 3.610 2.397 2.371 2.423 . 0 0 "[ . 1]" 1
773 1 95 ALA H 1 96 TRP H . . 4.240 4.215 4.186 4.233 . 0 0 "[ . 1]" 1
774 1 95 ALA HA 1 96 TRP H . . 3.050 2.157 2.152 2.158 . 0 0 "[ . 1]" 1
775 1 95 ALA MB 1 96 TRP H . . 3.770 3.397 3.378 3.403 . 0 0 "[ . 1]" 1
776 1 95 ALA MB 1 96 TRP HA . . 5.190 4.571 4.501 4.593 . 0 0 "[ . 1]" 1
777 1 96 TRP H 1 96 TRP QB . . 3.390 2.204 2.172 2.236 . 0 0 "[ . 1]" 1
778 1 96 TRP H 1 96 TRP HD1 . . 4.150 3.464 3.283 3.586 . 0 0 "[ . 1]" 1
779 1 96 TRP HA 1 96 TRP HE3 . . 4.100 2.321 2.143 2.682 . 0 0 "[ . 1]" 1
780 1 96 TRP HA 1 97 ASP H . . 3.090 2.389 2.383 2.392 . 0 0 "[ . 1]" 1
781 1 96 TRP HA 1 97 ASP HB3 . . 5.500 5.029 5.011 5.068 . 0 0 "[ . 1]" 1
782 1 96 TRP QB 1 96 TRP HD1 . . 2.960 2.498 2.494 2.514 . 0 0 "[ . 1]" 1
783 1 96 TRP QB 1 96 TRP HE3 . . 3.420 2.940 2.797 3.013 . 0 0 "[ . 1]" 1
784 1 96 TRP QB 1 97 ASP H . . 4.400 2.507 2.495 2.513 . 0 0 "[ . 1]" 1
785 1 96 TRP HE3 1 97 ASP H . . 4.100 2.131 2.076 2.223 . 0 0 "[ . 1]" 1
786 1 97 ASP H 1 97 ASP HB3 . . 3.560 2.925 2.890 2.945 . 0 0 "[ . 1]" 1
787 1 97 ASP HB3 1 100 CYS H . . 4.260 3.591 3.535 3.655 . 0 0 "[ . 1]" 1
788 1 98 PRO QB 1 99 LEU H . . 3.940 3.571 3.553 3.583 . 0 0 "[ . 1]" 1
789 1 99 LEU H 1 99 LEU QB . . 3.090 2.294 2.217 2.348 . 0 0 "[ . 1]" 1
790 1 99 LEU H 1 99 LEU HB3 . . 3.610 3.577 3.527 3.607 . 0 0 "[ . 1]" 1
791 1 99 LEU H 1 100 CYS H . . 3.260 2.581 2.571 2.596 . 0 0 "[ . 1]" 1
792 1 99 LEU H 1 100 CYS HA . . 4.840 4.754 4.724 4.766 . 0 0 "[ . 1]" 1
793 1 99 LEU H 1 100 CYS HB2 . . 5.170 4.485 4.457 4.558 . 0 0 "[ . 1]" 1
794 1 99 LEU HA 1 101 TRP H . . 4.490 3.205 3.175 3.244 . 0 0 "[ . 1]" 1
795 1 100 CYS H 1 100 CYS HB2 . . 3.190 2.177 2.175 2.183 . 0 0 "[ . 1]" 1
796 1 100 CYS H 1 101 TRP H . . 4.030 2.553 2.530 2.613 . 0 0 "[ . 1]" 1
797 1 100 CYS HA 1 102 SER H . . 4.460 3.402 3.376 3.432 . 0 0 "[ . 1]" 1
798 1 100 CYS HB2 1 101 TRP H . . 4.000 3.359 3.306 3.403 . 0 0 "[ . 1]" 1
799 1 101 TRP H 1 101 TRP QB . . 3.260 2.204 2.201 2.206 . 0 0 "[ . 1]" 1
800 1 101 TRP H 1 101 TRP HB3 . . 3.800 3.495 3.494 3.496 . 0 0 "[ . 1]" 1
801 1 101 TRP H 1 102 SER H . . 3.260 2.605 2.585 2.624 . 0 0 "[ . 1]" 1
802 1 101 TRP HA 1 102 SER H . . 3.420 3.105 3.091 3.125 . 0 0 "[ . 1]" 1
803 1 101 TRP HA 1 103 ASP H . . 3.060 3.116 3.114 3.118 0.058 3 0 "[ . 1]" 1
804 1 101 TRP HA 1 104 ARG H . . 3.170 2.979 2.776 3.102 . 0 0 "[ . 1]" 1
805 1 101 TRP QB 1 102 SER H . . 3.620 3.611 3.589 3.627 0.007 3 0 "[ . 1]" 1
806 1 101 TRP QB 1 103 ASP H . . 5.340 4.376 4.368 4.390 . 0 0 "[ . 1]" 1
807 1 101 TRP HB3 1 102 SER H . . 4.130 4.203 4.186 4.214 0.084 3 0 "[ . 1]" 1
808 1 102 SER H 1 102 SER HB3 . . 3.200 2.332 2.236 2.434 . 0 0 "[ . 1]" 1
809 1 102 SER H 1 103 ASP H . . 4.290 2.610 2.573 2.633 . 0 0 "[ . 1]" 1
810 1 102 SER HB3 1 103 ASP H . . 4.680 4.049 3.940 4.129 . 0 0 "[ . 1]" 1
811 1 103 ASP H 1 103 ASP QB . . 3.530 2.430 2.311 2.534 . 0 0 "[ . 1]" 1
812 1 103 ASP H 1 104 ARG H . . 4.490 2.199 2.093 2.341 . 0 0 "[ . 1]" 1
813 1 104 ARG H 1 104 ARG HB3 . . 3.290 3.517 3.504 3.537 0.247 10 0 "[ . 1]" 1
814 1 104 ARG H 1 104 ARG QG . . 4.020 2.900 2.632 3.477 . 0 0 "[ . 1]" 1
815 1 104 ARG H 1 104 ARG HG3 . . 4.900 3.595 3.234 3.902 . 0 0 "[ . 1]" 1
816 1 104 ARG H 1 105 LYS H . . 4.420 2.718 2.682 2.788 . 0 0 "[ . 1]" 1
817 1 104 ARG HA 1 106 SER H . . 4.930 3.928 3.616 4.073 . 0 0 "[ . 1]" 1
818 1 104 ARG HB3 1 105 LYS H . . 4.410 3.522 3.311 3.616 . 0 0 "[ . 1]" 1
819 1 104 ARG HB3 1 105 LYS HA . . 4.200 4.180 4.118 4.202 0.002 6 0 "[ . 1]" 1
820 1 105 LYS H 1 105 LYS QB . . 3.650 2.284 2.176 2.481 . 0 0 "[ . 1]" 1
821 1 105 LYS HA 1 106 SER H . . 3.400 3.389 3.050 3.427 0.027 10 0 "[ . 1]" 1
822 1 105 LYS QB 1 105 LYS QE . . 3.820 3.039 2.142 3.695 . 0 0 "[ . 1]" 1
823 1 105 LYS HB3 1 106 SER H . . 5.500 3.903 3.720 4.423 . 0 0 "[ . 1]" 1
824 1 106 SER H 1 107 TYR H . . 4.840 4.508 4.436 4.587 . 0 0 "[ . 1]" 1
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