NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474957 |
2kg1   |
16194 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kg1
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 1132
_Distance_constraint_stats_list.Viol_count 277
_Distance_constraint_stats_list.Viol_total 501.616
_Distance_constraint_stats_list.Viol_max 0.540
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0905
_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 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.583 0.083 2 0 "[ . 1 . 2]"
1 40 THR 0.137 0.083 2 0 "[ . 1 . 2]"
1 41 VAL 0.237 0.145 13 0 "[ . 1 . 2]"
1 42 GLN 0.653 0.115 7 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.694 0.238 18 0 "[ . 1 . 2]"
1 46 GLY 0.776 0.238 18 0 "[ . 1 . 2]"
1 47 HIS 0.082 0.082 3 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.023 0.023 4 0 "[ . 1 . 2]"
1 52 ARG 0.641 0.328 20 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.402 0.125 7 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.328 0.096 13 0 "[ . 1 . 2]"
1 58 ALA 0.328 0.096 13 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.074 0.074 8 0 "[ . 1 . 2]"
1 61 ASN 0.488 0.090 1 0 "[ . 1 . 2]"
1 62 ASP 0.393 0.158 15 0 "[ . 1 . 2]"
1 63 ILE 0.393 0.158 15 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.173 0.088 15 0 "[ . 1 . 2]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.974 0.119 18 0 "[ . 1 . 2]"
1 71 ASN 0.134 0.080 20 0 "[ . 1 . 2]"
1 72 PRO 0.010 0.007 10 0 "[ . 1 . 2]"
1 73 VAL 0.010 0.007 10 0 "[ . 1 . 2]"
1 74 ARG 0.092 0.087 18 0 "[ . 1 . 2]"
1 75 VAL 0.092 0.087 18 0 "[ . 1 . 2]"
1 76 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.074 0.074 8 0 "[ . 1 . 2]"
1 78 GLU 0.037 0.026 5 0 "[ . 1 . 2]"
1 79 ILE 0.130 0.077 13 0 "[ . 1 . 2]"
1 80 GLY 0.449 0.212 13 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASP 0.738 0.212 13 0 "[ . 1 . 2]"
1 83 GLY 0.367 0.112 10 0 "[ . 1 . 2]"
1 84 ARG 0.062 0.062 13 0 "[ . 1 . 2]"
1 85 VAL 0.496 0.131 8 0 "[ . 1 . 2]"
1 86 THR 0.646 0.165 6 0 "[ . 1 . 2]"
1 87 GLY 0.554 0.165 6 0 "[ . 1 . 2]"
1 88 GLU 0.419 0.091 12 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.099 0.044 13 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.543 0.540 20 1 "[ . 1 . +]"
1 108 ALA 0.128 0.039 11 0 "[ . 1 . 2]"
1 109 ASN 0.128 0.039 11 0 "[ . 1 . 2]"
1 110 MET 0.155 0.155 2 0 "[ . 1 . 2]"
1 111 GLN 3.457 0.254 12 0 "[ . 1 . 2]"
1 112 HIS 1.639 0.251 17 0 "[ . 1 . 2]"
1 113 ARG 1.639 0.251 17 0 "[ . 1 . 2]"
1 114 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ILE 0.044 0.023 4 0 "[ . 1 . 2]"
1 116 GLU 0.641 0.328 20 0 "[ . 1 . 2]"
1 117 LEU 0.099 0.044 13 0 "[ . 1 . 2]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LEU 1.074 0.141 15 0 "[ . 1 . 2]"
1 120 ASN 0.863 0.141 15 0 "[ . 1 . 2]"
1 121 SER 0.211 0.101 2 0 "[ . 1 . 2]"
1 122 THR 0.463 0.138 5 0 "[ . 1 . 2]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.470 0.138 5 0 "[ . 1 . 2]"
1 125 ALA 0.008 0.008 7 0 "[ . 1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 GLN 0.509 0.235 11 0 "[ . 1 . 2]"
1 134 VAL 0.610 0.235 11 0 "[ . 1 . 2]"
1 135 MET 0.362 0.173 18 0 "[ . 1 . 2]"
2 1 DA 1.573 0.277 3 0 "[ . 1 . 2]"
2 2 DG 1.893 0.335 4 0 "[ . 1 . 2]"
2 3 DG 3.216 0.491 5 0 "[ . 1 . 2]"
2 4 DG 2.990 0.509 16 1 "[ . 1 .+ 2]"
2 5 DA 1.828 0.540 20 2 "[ . 1 .- +]"
2 6 DU 2.950 0.260 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 GLY QA 1 36 ASP H 3.560 . 4.060 2.188 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
2 1 36 ASP HA 1 37 SER H 3.240 . 3.740 2.845 2.383 3.276 . 0 0 "[ . 1 . 2]" 1
3 1 36 ASP QB 1 37 SER H 4.640 . 5.140 3.235 2.267 3.602 . 0 0 "[ . 1 . 2]" 1
4 1 37 SER HA 1 38 GLU H 3.110 . 3.610 2.647 2.456 3.197 . 0 0 "[ . 1 . 2]" 1
5 1 37 SER QB 1 38 GLU H 4.210 . 4.710 2.610 2.084 3.745 . 0 0 "[ . 1 . 2]" 1
6 1 37 SER QB 1 38 GLU HA 4.680 . 5.180 4.167 3.948 4.437 . 0 0 "[ . 1 . 2]" 1
7 1 38 GLU H 1 38 GLU QB 3.540 . 4.040 2.835 2.606 3.209 . 0 0 "[ . 1 . 2]" 1
8 1 38 GLU H 1 38 GLU QG 4.710 . 5.210 3.370 2.381 4.234 . 0 0 "[ . 1 . 2]" 1
9 1 38 GLU H 1 39 PHE H 4.290 . 4.790 4.124 1.829 4.408 . 0 0 "[ . 1 . 2]" 1
10 1 38 GLU H 1 39 PHE HA 4.600 . 5.100 4.691 4.444 4.790 . 0 0 "[ . 1 . 2]" 1
11 1 38 GLU HA 1 39 PHE H 2.940 . 3.440 2.499 2.275 3.127 . 0 0 "[ . 1 . 2]" 1
12 1 38 GLU HA 1 39 PHE HB2 4.580 . 5.080 4.249 3.889 4.816 . 0 0 "[ . 1 . 2]" 1
13 1 38 GLU HA 1 39 PHE QD 5.780 . 6.280 4.370 3.729 5.336 . 0 0 "[ . 1 . 2]" 1
14 1 38 GLU QB 1 39 PHE H 3.920 . 4.420 2.888 2.119 3.637 . 0 0 "[ . 1 . 2]" 1
15 1 39 PHE H 1 39 PHE HB2 3.320 . 3.820 2.651 2.243 2.940 . 0 0 "[ . 1 . 2]" 1
16 1 39 PHE H 1 39 PHE HB3 3.200 . 3.700 3.462 2.694 3.763 0.063 19 0 "[ . 1 . 2]" 1
17 1 39 PHE H 1 39 PHE QD 4.400 . 4.900 3.836 3.566 4.334 . 0 0 "[ . 1 . 2]" 1
18 1 39 PHE H 1 40 THR H 4.430 . 4.930 3.394 1.717 4.622 0.083 2 0 "[ . 1 . 2]" 1
19 1 39 PHE HA 1 39 PHE QD 3.880 . 4.380 2.385 2.205 2.591 . 0 0 "[ . 1 . 2]" 1
20 1 39 PHE HA 1 39 PHE QE 4.790 . 5.290 4.346 4.190 4.405 . 0 0 "[ . 1 . 2]" 1
21 1 39 PHE HA 1 40 THR H 3.090 . 3.590 2.771 2.240 3.338 . 0 0 "[ . 1 . 2]" 1
22 1 39 PHE HB2 1 40 THR H 4.140 . 4.640 3.792 3.416 4.242 . 0 0 "[ . 1 . 2]" 1
23 1 39 PHE HB3 1 40 THR H 3.850 . 4.350 3.066 2.112 4.169 . 0 0 "[ . 1 . 2]" 1
24 1 39 PHE QD 1 40 THR H 5.460 . 5.960 3.976 2.932 4.943 . 0 0 "[ . 1 . 2]" 1
25 1 40 THR H 1 40 THR HB 3.810 . 4.310 3.789 2.608 3.900 . 0 0 "[ . 1 . 2]" 1
26 1 40 THR H 1 41 VAL MG2 6.260 . 6.760 4.267 3.738 5.442 . 0 0 "[ . 1 . 2]" 1
27 1 40 THR HA 1 40 THR HB 3.000 . 3.500 2.509 2.441 3.033 . 0 0 "[ . 1 . 2]" 1
28 1 40 THR HA 1 41 VAL H 2.760 . 3.260 2.524 2.324 3.206 . 0 0 "[ . 1 . 2]" 1
29 1 40 THR HA 1 41 VAL MG2 4.730 . 5.230 3.330 2.994 4.133 . 0 0 "[ . 1 . 2]" 1
30 1 40 THR HB 1 41 VAL H 3.550 . 4.050 2.355 2.104 3.644 . 0 0 "[ . 1 . 2]" 1
31 1 40 THR HB 1 41 VAL MG2 5.390 . 5.890 4.168 2.445 4.603 . 0 0 "[ . 1 . 2]" 1
32 1 41 VAL H 1 41 VAL HB 3.140 . 3.640 2.930 2.519 3.785 0.145 13 0 "[ . 1 . 2]" 1
33 1 41 VAL H 1 41 VAL MG2 3.890 . 4.390 2.765 1.708 3.130 0.092 4 0 "[ . 1 . 2]" 1
34 1 41 VAL H 1 42 GLN H 4.350 . 4.850 3.978 1.902 4.484 . 0 0 "[ . 1 . 2]" 1
35 1 41 VAL HA 1 41 VAL HB 2.780 . 3.280 2.977 2.490 3.041 . 0 0 "[ . 1 . 2]" 1
36 1 41 VAL HA 1 42 GLN H 3.080 . 3.580 2.498 2.203 3.355 . 0 0 "[ . 1 . 2]" 1
37 1 41 VAL HA 1 42 GLN QG 4.890 . 5.390 3.767 3.438 4.476 . 0 0 "[ . 1 . 2]" 1
38 1 41 VAL HB 1 130 TYR HB2 5.140 . 5.640 4.601 2.555 5.336 . 0 0 "[ . 1 . 2]" 1
39 1 41 VAL HB 1 132 SER HA 3.130 . 3.630 2.962 2.162 3.350 . 0 0 "[ . 1 . 2]" 1
40 1 41 VAL HB 1 132 SER QB 3.930 . 4.430 2.798 2.103 3.664 . 0 0 "[ . 1 . 2]" 1
41 1 41 VAL MG1 1 130 TYR HB2 6.610 . 7.110 3.429 1.980 5.074 . 0 0 "[ . 1 . 2]" 1
42 1 41 VAL MG1 1 130 TYR QD 6.030 . 6.530 3.226 2.272 4.516 . 0 0 "[ . 1 . 2]" 1
43 1 41 VAL MG2 1 42 GLN H 4.800 . 5.300 3.860 3.190 4.186 . 0 0 "[ . 1 . 2]" 1
44 1 41 VAL MG2 1 130 TYR HB2 6.510 . 7.010 3.541 2.094 5.273 . 0 0 "[ . 1 . 2]" 1
45 1 41 VAL MG2 1 130 TYR HB3 6.260 . 6.760 4.110 2.320 5.262 . 0 0 "[ . 1 . 2]" 1
46 1 41 VAL MG2 1 130 TYR QE 7.240 . 7.740 4.293 2.499 5.479 . 0 0 "[ . 1 . 2]" 1
47 1 41 VAL MG2 1 132 SER HA 3.670 . 4.170 2.677 2.021 3.186 . 0 0 "[ . 1 . 2]" 1
48 1 41 VAL MG2 1 132 SER QB 4.660 . 5.160 3.130 2.125 3.602 . 0 0 "[ . 1 . 2]" 1
49 1 42 GLN H 1 42 GLN HB2 3.730 . 4.230 3.446 2.432 3.922 . 0 0 "[ . 1 . 2]" 1
50 1 42 GLN H 1 42 GLN HB3 3.690 . 4.190 3.292 2.489 3.841 . 0 0 "[ . 1 . 2]" 1
51 1 42 GLN H 1 42 GLN QG 4.420 . 4.920 2.396 1.896 3.301 . 0 0 "[ . 1 . 2]" 1
52 1 42 GLN HA 1 42 GLN HB2 2.400 . 2.900 2.614 2.405 3.015 0.115 7 0 "[ . 1 . 2]" 1
53 1 42 GLN QG 1 43 SER H 5.900 . 6.400 3.577 2.744 4.477 . 0 0 "[ . 1 . 2]" 1
54 1 43 SER QB 1 44 THR H 4.530 . 5.030 3.116 1.892 4.067 . 0 0 "[ . 1 . 2]" 1
55 1 44 THR HA 1 45 THR H 3.560 . 4.060 2.913 2.181 3.438 . 0 0 "[ . 1 . 2]" 1
56 1 44 THR HA 1 46 GLY H 4.890 . 5.390 4.120 2.843 5.112 . 0 0 "[ . 1 . 2]" 1
57 1 44 THR MG 1 46 GLY H 5.190 . 5.690 3.639 1.810 4.573 . 0 0 "[ . 1 . 2]" 1
58 1 45 THR H 1 45 THR HB 4.120 . 4.620 3.050 2.602 3.766 . 0 0 "[ . 1 . 2]" 1
59 1 45 THR H 1 46 GLY H 4.490 . 4.990 3.001 1.680 4.363 0.120 15 0 "[ . 1 . 2]" 1
60 1 45 THR HA 1 46 GLY H 2.780 . 3.280 2.827 2.182 3.518 0.238 18 0 "[ . 1 . 2]" 1
61 1 45 THR HB 1 46 GLY HA2 4.470 . 4.970 4.626 4.433 4.802 . 0 0 "[ . 1 . 2]" 1
62 1 45 THR MG 1 46 GLY H 5.500 . 6.000 4.103 3.295 4.373 . 0 0 "[ . 1 . 2]" 1
63 1 45 THR MG 1 46 GLY HA2 6.260 . 6.760 4.705 3.563 5.486 . 0 0 "[ . 1 . 2]" 1
64 1 45 THR MG 1 46 GLY HA3 6.440 . 6.940 5.255 4.627 5.694 . 0 0 "[ . 1 . 2]" 1
65 1 46 GLY H 1 47 HIS H 5.110 . 5.610 3.878 1.718 4.724 0.082 3 0 "[ . 1 . 2]" 1
66 1 46 GLY H 1 126 SER HA 4.180 . 4.680 4.019 2.930 4.318 . 0 0 "[ . 1 . 2]" 1
67 1 46 GLY HA3 1 126 SER HA 4.910 . 5.410 4.512 3.080 5.140 . 0 0 "[ . 1 . 2]" 1
68 1 47 HIS H 1 47 HIS HD2 5.160 . 5.660 2.601 2.007 3.338 . 0 0 "[ . 1 . 2]" 1
69 1 47 HIS H 1 93 PHE O 2.400 . 2.900 2.645 2.470 2.772 . 0 0 "[ . 1 . 2]" 1
70 1 47 HIS H 1 99 ALA MB 6.610 . 7.110 5.512 5.311 5.648 . 0 0 "[ . 1 . 2]" 1
71 1 47 HIS HA 1 99 ALA MB 6.330 . 6.830 5.039 4.699 5.931 . 0 0 "[ . 1 . 2]" 1
72 1 47 HIS HB2 1 99 ALA MB 6.240 . 6.740 3.528 3.278 4.422 . 0 0 "[ . 1 . 2]" 1
73 1 47 HIS HB3 1 48 CYS H 5.500 . 6.000 3.157 2.882 3.861 . 0 0 "[ . 1 . 2]" 1
74 1 47 HIS HB3 1 95 THR H 4.610 . 5.110 4.907 4.833 5.023 . 0 0 "[ . 1 . 2]" 1
75 1 47 HIS HB3 1 99 ALA MB 6.270 . 6.770 3.071 2.647 5.224 . 0 0 "[ . 1 . 2]" 1
76 1 47 HIS HD2 1 94 ALA HA 4.160 . 4.660 4.129 3.136 4.300 . 0 0 "[ . 1 . 2]" 1
77 1 47 HIS HD2 1 95 THR HA 4.040 . 4.540 2.636 2.179 3.464 . 0 0 "[ . 1 . 2]" 1
78 1 47 HIS HD2 1 95 THR MG 5.040 . 5.540 3.949 3.578 4.448 . 0 0 "[ . 1 . 2]" 1
79 1 47 HIS N 1 93 PHE O 3.400 2.400 3.900 3.490 3.251 3.592 . 0 0 "[ . 1 . 2]" 1
80 1 47 HIS O 1 93 PHE H 2.400 . 2.900 2.177 1.830 2.564 . 0 0 "[ . 1 . 2]" 1
81 1 47 HIS O 1 93 PHE N 3.400 2.400 3.900 2.785 2.707 2.898 . 0 0 "[ . 1 . 2]" 1
82 1 48 CYS H 1 99 ALA MB 6.610 . 7.110 4.526 4.195 4.914 . 0 0 "[ . 1 . 2]" 1
83 1 48 CYS H 1 120 ASN O 2.400 . 2.900 2.716 2.623 2.787 . 0 0 "[ . 1 . 2]" 1
84 1 48 CYS HA 1 92 GLU HA 4.560 . 5.060 2.138 1.893 2.382 . 0 0 "[ . 1 . 2]" 1
85 1 48 CYS QB 1 49 VAL H 4.520 . 5.020 2.331 2.141 3.269 . 0 0 "[ . 1 . 2]" 1
86 1 48 CYS QB 1 49 VAL HB 6.070 . 6.570 4.917 4.775 5.519 . 0 0 "[ . 1 . 2]" 1
87 1 48 CYS QB 1 90 ASP HB2 5.300 . 5.800 4.328 3.692 4.990 . 0 0 "[ . 1 . 2]" 1
88 1 48 CYS QB 1 92 GLU HA 4.970 . 5.470 3.184 2.395 3.828 . 0 0 "[ . 1 . 2]" 1
89 1 48 CYS QB 1 120 ASN HB3 5.310 . 5.810 3.259 2.541 3.900 . 0 0 "[ . 1 . 2]" 1
90 1 48 CYS N 1 120 ASN O 3.400 2.400 3.900 3.558 3.480 3.659 . 0 0 "[ . 1 . 2]" 1
91 1 48 CYS O 1 120 ASN H 2.400 . 2.900 2.371 2.217 2.511 . 0 0 "[ . 1 . 2]" 1
92 1 48 CYS O 1 120 ASN N 3.400 2.400 3.900 3.094 2.977 3.185 . 0 0 "[ . 1 . 2]" 1
93 1 49 VAL H 1 91 VAL H 4.670 . 5.170 2.875 2.697 3.175 . 0 0 "[ . 1 . 2]" 1
94 1 49 VAL H 1 91 VAL HB 5.290 . 5.790 4.947 4.761 5.096 . 0 0 "[ . 1 . 2]" 1
95 1 49 VAL H 1 91 VAL O 2.400 . 2.900 2.168 2.009 2.382 . 0 0 "[ . 1 . 2]" 1
96 1 49 VAL H 1 92 GLU HA 5.060 . 5.560 3.735 3.396 4.041 . 0 0 "[ . 1 . 2]" 1
97 1 49 VAL H 1 119 LEU MD2 6.610 . 7.110 5.495 5.285 5.693 . 0 0 "[ . 1 . 2]" 1
98 1 49 VAL H 1 120 ASN HB3 5.050 . 5.550 3.778 3.385 5.013 . 0 0 "[ . 1 . 2]" 1
99 1 49 VAL HA 1 50 HIS HA 4.740 . 5.240 4.473 4.424 4.543 . 0 0 "[ . 1 . 2]" 1
100 1 49 VAL HA 1 120 ASN HB2 3.480 . 3.980 2.915 2.229 3.399 . 0 0 "[ . 1 . 2]" 1
101 1 49 VAL HA 1 120 ASN HB3 5.170 . 5.670 2.474 2.170 3.993 . 0 0 "[ . 1 . 2]" 1
102 1 49 VAL HB 1 50 HIS H 5.500 . 6.000 3.930 3.733 4.210 . 0 0 "[ . 1 . 2]" 1
103 1 49 VAL HB 1 93 PHE QD 6.150 . 6.650 3.531 3.025 4.013 . 0 0 "[ . 1 . 2]" 1
104 1 49 VAL HB 1 93 PHE QE 5.230 . 5.730 2.209 2.016 2.509 . 0 0 "[ . 1 . 2]" 1
105 1 49 VAL MG1 1 50 HIS H 5.040 . 5.540 2.294 2.069 2.698 . 0 0 "[ . 1 . 2]" 1
106 1 49 VAL MG1 1 50 HIS HA 5.060 . 5.560 3.892 3.589 4.137 . 0 0 "[ . 1 . 2]" 1
107 1 49 VAL MG1 1 51 MET H 6.610 . 7.110 4.866 4.507 5.033 . 0 0 "[ . 1 . 2]" 1
108 1 49 VAL MG1 1 67 PHE QE 7.120 . 7.620 3.021 2.224 3.507 . 0 0 "[ . 1 . 2]" 1
109 1 49 VAL MG1 1 67 PHE HZ 4.050 . 4.550 2.546 2.057 3.111 . 0 0 "[ . 1 . 2]" 1
110 1 49 VAL MG1 1 93 PHE QE 6.730 . 7.230 3.099 2.672 3.465 . 0 0 "[ . 1 . 2]" 1
111 1 49 VAL MG1 1 117 LEU HA 5.180 . 5.680 3.707 3.456 4.034 . 0 0 "[ . 1 . 2]" 1
112 1 49 VAL MG1 1 117 LEU HB2 5.620 . 6.120 2.413 2.121 2.645 . 0 0 "[ . 1 . 2]" 1
113 1 49 VAL MG1 1 117 LEU HB3 5.660 . 6.160 3.853 3.466 4.069 . 0 0 "[ . 1 . 2]" 1
114 1 49 VAL MG1 1 117 LEU MD2 3.780 . 4.280 2.061 1.899 2.729 . 0 0 "[ . 1 . 2]" 1
115 1 49 VAL MG1 1 118 PHE H 5.130 . 5.630 2.536 2.354 2.767 . 0 0 "[ . 1 . 2]" 1
116 1 49 VAL MG1 1 120 ASN H 5.380 . 5.880 3.549 3.310 3.903 . 0 0 "[ . 1 . 2]" 1
117 1 49 VAL MG2 1 50 HIS H 5.880 . 6.380 3.968 3.831 4.120 . 0 0 "[ . 1 . 2]" 1
118 1 49 VAL MG2 1 67 PHE QE 7.410 . 7.910 3.988 3.273 4.587 . 0 0 "[ . 1 . 2]" 1
119 1 49 VAL MG2 1 93 PHE QD 5.800 . 6.300 2.226 2.059 2.495 . 0 0 "[ . 1 . 2]" 1
120 1 49 VAL MG2 1 93 PHE QE 5.430 . 5.930 2.216 2.022 2.573 . 0 0 "[ . 1 . 2]" 1
121 1 49 VAL MG2 1 93 PHE HZ 6.430 . 6.930 4.052 3.578 4.428 . 0 0 "[ . 1 . 2]" 1
122 1 49 VAL MG2 1 99 ALA HA 4.980 . 5.480 3.478 3.087 4.035 . 0 0 "[ . 1 . 2]" 1
123 1 49 VAL MG2 1 119 LEU HA 5.540 . 6.040 2.163 1.978 2.450 . 0 0 "[ . 1 . 2]" 1
124 1 49 VAL MG2 1 120 ASN H 5.660 . 6.160 2.304 1.993 2.498 . 0 0 "[ . 1 . 2]" 1
125 1 49 VAL N 1 91 VAL O 3.400 2.400 3.900 3.113 2.884 3.342 . 0 0 "[ . 1 . 2]" 1
126 1 49 VAL O 1 91 VAL H 2.400 . 2.900 1.954 1.847 2.079 . 0 0 "[ . 1 . 2]" 1
127 1 49 VAL O 1 91 VAL N 3.400 2.400 3.900 2.939 2.844 3.086 . 0 0 "[ . 1 . 2]" 1
128 1 50 HIS H 1 50 HIS HE1 5.500 . 6.000 5.190 4.584 5.590 . 0 0 "[ . 1 . 2]" 1
129 1 50 HIS H 1 118 PHE H 4.720 . 5.220 2.799 2.553 3.193 . 0 0 "[ . 1 . 2]" 1
130 1 50 HIS H 1 118 PHE O 2.400 . 2.900 2.085 1.875 2.432 . 0 0 "[ . 1 . 2]" 1
131 1 50 HIS H 1 120 ASN H 5.500 . 6.000 4.535 4.249 4.802 . 0 0 "[ . 1 . 2]" 1
132 1 50 HIS HA 1 51 MET HB2 5.290 . 5.790 4.794 4.291 5.491 . 0 0 "[ . 1 . 2]" 1
133 1 50 HIS QB 1 51 MET H 5.520 . 6.020 2.545 2.325 2.702 . 0 0 "[ . 1 . 2]" 1
134 1 50 HIS QB 1 117 LEU HA 5.560 . 6.060 4.195 3.405 5.250 . 0 0 "[ . 1 . 2]" 1
135 1 50 HIS N 1 118 PHE O 3.400 2.400 3.900 3.074 2.868 3.427 . 0 0 "[ . 1 . 2]" 1
136 1 50 HIS O 1 118 PHE H 2.400 . 2.900 2.116 1.811 2.539 . 0 0 "[ . 1 . 2]" 1
137 1 50 HIS O 1 118 PHE N 3.400 2.400 3.900 3.025 2.783 3.374 . 0 0 "[ . 1 . 2]" 1
138 1 51 MET H 1 51 MET HG2 5.410 . 5.910 4.335 2.491 5.024 . 0 0 "[ . 1 . 2]" 1
139 1 51 MET H 1 51 MET HG3 5.170 . 5.670 4.042 2.468 4.846 . 0 0 "[ . 1 . 2]" 1
140 1 51 MET H 1 89 ALA O 2.400 . 2.900 2.157 1.873 2.526 . 0 0 "[ . 1 . 2]" 1
141 1 51 MET H 1 117 LEU HB2 5.210 . 5.710 5.249 5.015 5.512 . 0 0 "[ . 1 . 2]" 1
142 1 51 MET HA 1 115 ILE MG 6.000 . 6.500 4.747 4.310 5.133 . 0 0 "[ . 1 . 2]" 1
143 1 51 MET HA 1 116 GLU H 5.500 . 6.000 4.692 4.522 4.859 . 0 0 "[ . 1 . 2]" 1
144 1 51 MET HA 1 117 LEU MD2 6.210 . 6.710 5.051 4.693 5.180 . 0 0 "[ . 1 . 2]" 1
145 1 51 MET HB2 1 115 ILE MG 5.700 . 6.200 4.587 3.453 5.250 . 0 0 "[ . 1 . 2]" 1
146 1 51 MET HB2 1 117 LEU HA 4.420 . 4.920 3.570 3.169 4.117 . 0 0 "[ . 1 . 2]" 1
147 1 51 MET HB2 1 117 LEU HB2 4.590 . 5.090 3.327 2.743 4.032 . 0 0 "[ . 1 . 2]" 1
148 1 51 MET ME 1 63 ILE HA 6.100 . 6.600 2.964 2.174 3.761 . 0 0 "[ . 1 . 2]" 1
149 1 51 MET ME 1 63 ILE MD 5.840 . 6.340 3.215 2.524 3.615 . 0 0 "[ . 1 . 2]" 1
150 1 51 MET ME 1 66 PHE QB 6.890 . 7.390 4.401 2.859 5.232 . 0 0 "[ . 1 . 2]" 1
151 1 51 MET ME 1 66 PHE QD 6.670 . 7.170 3.271 2.684 3.767 . 0 0 "[ . 1 . 2]" 1
152 1 51 MET ME 1 66 PHE QE 5.990 . 6.490 2.399 1.931 2.887 . 0 0 "[ . 1 . 2]" 1
153 1 51 MET ME 1 66 PHE HZ 5.210 . 5.710 3.213 2.360 3.965 . 0 0 "[ . 1 . 2]" 1
154 1 51 MET ME 1 67 PHE QE 5.310 . 5.810 3.761 2.523 4.044 . 0 0 "[ . 1 . 2]" 1
155 1 51 MET ME 1 115 ILE MD 5.710 . 6.210 3.487 3.071 4.173 . 0 0 "[ . 1 . 2]" 1
156 1 51 MET ME 1 115 ILE MG 4.490 . 4.990 1.994 1.777 2.590 0.023 4 0 "[ . 1 . 2]" 1
157 1 51 MET HG3 1 115 ILE MG 6.610 . 7.110 3.983 2.918 5.616 . 0 0 "[ . 1 . 2]" 1
158 1 51 MET N 1 89 ALA O 3.400 2.400 3.900 3.053 2.789 3.351 . 0 0 "[ . 1 . 2]" 1
159 1 51 MET O 1 89 ALA H 2.400 . 2.900 2.359 1.832 2.571 . 0 0 "[ . 1 . 2]" 1
160 1 51 MET O 1 89 ALA N 3.400 2.400 3.900 3.252 2.795 3.498 . 0 0 "[ . 1 . 2]" 1
161 1 52 ARG H 1 115 ILE MG 6.610 . 7.110 3.679 3.344 4.377 . 0 0 "[ . 1 . 2]" 1
162 1 52 ARG H 1 116 GLU O 2.400 . 2.900 1.997 1.853 2.471 . 0 0 "[ . 1 . 2]" 1
163 1 52 ARG HE 2 4 DG H1 4.500 . 5.000 4.341 2.761 4.727 . 0 0 "[ . 1 . 2]" 1
164 1 52 ARG N 1 116 GLU O 3.400 2.400 3.900 2.944 2.771 3.421 . 0 0 "[ . 1 . 2]" 1
165 1 52 ARG O 1 116 GLU H 2.400 . 2.900 2.159 1.882 3.213 0.313 20 0 "[ . 1 . 2]" 1
166 1 52 ARG O 1 116 GLU N 3.400 2.400 3.900 3.143 2.847 4.228 0.328 20 0 "[ . 1 . 2]" 1
167 1 53 GLY H 1 115 ILE MD 6.560 . 7.060 4.687 4.260 5.415 . 0 0 "[ . 1 . 2]" 1
168 1 53 GLY H 2 4 DG H1 4.500 . 5.000 3.672 2.976 4.281 . 0 0 "[ . 1 . 2]" 1
169 1 53 GLY H 2 4 DG O6 2.400 . 2.900 2.572 2.399 2.749 . 0 0 "[ . 1 . 2]" 1
170 1 53 GLY N 2 4 DG O6 3.400 2.400 3.900 2.950 2.719 3.500 . 0 0 "[ . 1 . 2]" 1
171 1 54 LEU H 1 54 LEU MD1 5.490 . 5.990 3.753 3.240 4.139 . 0 0 "[ . 1 . 2]" 1
172 1 54 LEU H 1 54 LEU MD2 5.280 . 5.780 3.538 1.800 4.283 0.000 19 0 "[ . 1 . 2]" 1
173 1 54 LEU H 1 54 LEU HG 4.210 . 4.710 2.996 1.801 4.727 0.017 13 0 "[ . 1 . 2]" 1
174 1 54 LEU HA 1 54 LEU MD2 4.380 . 4.880 2.275 1.963 3.991 . 0 0 "[ . 1 . 2]" 1
175 1 54 LEU HA 1 54 LEU HG 4.030 . 4.530 3.235 2.432 3.774 . 0 0 "[ . 1 . 2]" 1
176 1 54 LEU HA 1 115 ILE MD 5.270 . 5.770 2.736 1.778 3.840 0.022 19 0 "[ . 1 . 2]" 1
177 1 54 LEU MD1 1 59 THR HA 5.130 . 5.630 2.897 2.366 3.110 . 0 0 "[ . 1 . 2]" 1
178 1 54 LEU MD1 1 59 THR HB 6.100 . 6.600 4.935 4.356 5.135 . 0 0 "[ . 1 . 2]" 1
179 1 54 LEU MD1 1 60 GLU H 4.820 . 5.320 4.123 3.661 4.257 . 0 0 "[ . 1 . 2]" 1
180 1 54 LEU MD1 1 63 ILE HA 5.510 . 6.010 4.404 3.295 4.753 . 0 0 "[ . 1 . 2]" 1
181 1 54 LEU MD2 1 58 ALA H 5.820 . 6.320 4.171 2.991 4.870 . 0 0 "[ . 1 . 2]" 1
182 1 54 LEU MD2 1 58 ALA HA 6.150 . 6.650 4.594 3.985 5.224 . 0 0 "[ . 1 . 2]" 1
183 1 54 LEU MD2 1 58 ALA MB 4.460 . 4.960 2.140 1.843 3.281 . 0 0 "[ . 1 . 2]" 1
184 1 54 LEU MD2 1 59 THR H 6.020 . 6.520 3.924 3.303 4.412 . 0 0 "[ . 1 . 2]" 1
185 1 54 LEU MD2 1 59 THR HA 5.580 . 6.080 4.413 2.976 4.802 . 0 0 "[ . 1 . 2]" 1
186 1 54 LEU MD2 1 115 ILE MD 5.600 . 6.100 2.700 1.988 4.208 . 0 0 "[ . 1 . 2]" 1
187 1 54 LEU HG 1 115 ILE MD 6.400 . 6.900 3.841 2.780 4.928 . 0 0 "[ . 1 . 2]" 1
188 1 54 LEU O 2 2 DG H1 2.400 . 2.900 2.482 1.930 3.025 0.125 7 0 "[ . 1 . 2]" 1
189 1 54 LEU O 2 2 DG N1 3.400 2.400 3.900 3.391 2.858 3.862 . 0 0 "[ . 1 . 2]" 1
190 1 55 PRO QB 2 2 DG H1 5.050 . 5.550 4.105 2.934 4.606 . 0 0 "[ . 1 . 2]" 1
191 1 55 PRO QD 2 2 DG H1 5.050 . 5.550 3.505 1.938 4.614 . 0 0 "[ . 1 . 2]" 1
192 1 55 PRO QG 2 2 DG H1 5.050 . 5.550 4.449 3.817 4.702 . 0 0 "[ . 1 . 2]" 1
193 1 56 TYR QB 2 1 DA H2 6.170 . 6.670 4.544 3.440 5.381 . 0 0 "[ . 1 . 2]" 1
194 1 56 TYR QB 2 2 DG H1 5.050 . 5.550 4.424 3.797 4.787 . 0 0 "[ . 1 . 2]" 1
195 1 56 TYR HB2 1 85 VAL MG2 6.610 . 7.110 4.577 3.025 5.561 . 0 0 "[ . 1 . 2]" 1
196 1 56 TYR QD 1 85 VAL MG2 4.420 . 4.920 2.747 2.028 3.472 . 0 0 "[ . 1 . 2]" 1
197 1 56 TYR QD 2 1 DA H2 4.490 . 4.990 3.965 3.313 4.151 . 0 0 "[ . 1 . 2]" 1
198 1 56 TYR QD 2 2 DG H8 6.170 . 6.670 4.927 4.004 5.687 . 0 0 "[ . 1 . 2]" 1
199 1 56 TYR QE 1 85 VAL MG2 5.240 . 5.740 3.209 2.113 3.946 . 0 0 "[ . 1 . 2]" 1
200 1 56 TYR QE 2 1 DA H1' 5.050 . 5.550 3.159 2.200 4.086 . 0 0 "[ . 1 . 2]" 1
201 1 56 TYR QE 2 1 DA H2 4.490 . 4.990 3.902 3.109 4.263 . 0 0 "[ . 1 . 2]" 1
202 1 56 TYR QE 2 1 DA H2' 6.170 . 6.670 4.763 4.265 5.057 . 0 0 "[ . 1 . 2]" 1
203 1 56 TYR QE 2 1 DA H4' 5.050 . 5.550 3.885 3.158 4.683 . 0 0 "[ . 1 . 2]" 1
204 1 56 TYR QE 2 1 DA Q5' 5.670 . 6.170 3.880 3.107 4.544 . 0 0 "[ . 1 . 2]" 1
205 1 56 TYR QE 2 1 DA H8 4.490 . 4.990 4.120 4.003 4.308 . 0 0 "[ . 1 . 2]" 1
206 1 56 TYR QE 2 2 DG H1' 5.050 . 5.550 4.678 4.125 5.292 . 0 0 "[ . 1 . 2]" 1
207 1 56 TYR QE 2 2 DG H8 4.490 . 4.990 3.937 3.362 4.204 . 0 0 "[ . 1 . 2]" 1
208 1 57 LYS H 1 58 ALA H 4.960 . 5.460 1.913 1.704 2.124 0.096 13 0 "[ . 1 . 2]" 1
209 1 57 LYS H 1 58 ALA HA 4.650 . 5.150 4.549 4.454 4.683 . 0 0 "[ . 1 . 2]" 1
210 1 58 ALA H 1 59 THR H 4.880 . 5.380 4.431 4.317 4.635 . 0 0 "[ . 1 . 2]" 1
211 1 58 ALA HA 1 59 THR H 3.430 . 3.930 2.608 2.487 2.822 . 0 0 "[ . 1 . 2]" 1
212 1 58 ALA HA 1 111 GLN HE22 5.280 . 5.780 5.322 5.187 5.430 . 0 0 "[ . 1 . 2]" 1
213 1 58 ALA MB 1 59 THR H 4.350 . 4.850 2.191 1.938 2.466 . 0 0 "[ . 1 . 2]" 1
214 1 58 ALA MB 1 62 ASP HB2 5.640 . 6.140 3.955 2.701 4.738 . 0 0 "[ . 1 . 2]" 1
215 1 58 ALA MB 1 62 ASP HB3 6.240 . 6.740 3.517 3.006 4.113 . 0 0 "[ . 1 . 2]" 1
216 1 58 ALA MB 1 111 GLN HE21 6.610 . 7.110 4.318 3.985 4.789 . 0 0 "[ . 1 . 2]" 1
217 1 58 ALA MB 1 111 GLN HE22 6.610 . 7.110 3.323 2.723 4.122 . 0 0 "[ . 1 . 2]" 1
218 1 59 THR H 1 59 THR MG 4.480 . 4.980 3.581 3.384 3.735 . 0 0 "[ . 1 . 2]" 1
219 1 59 THR H 1 61 ASN HD21 4.270 . 4.770 3.035 2.669 3.946 . 0 0 "[ . 1 . 2]" 1
220 1 59 THR H 1 62 ASP H 4.350 . 4.850 3.811 3.398 3.988 . 0 0 "[ . 1 . 2]" 1
221 1 59 THR H 1 62 ASP HB2 4.100 . 4.600 3.942 2.821 4.238 . 0 0 "[ . 1 . 2]" 1
222 1 59 THR H 1 62 ASP HB3 4.150 . 4.650 3.931 3.428 4.373 . 0 0 "[ . 1 . 2]" 1
223 1 59 THR HA 1 59 THR MG 3.530 . 4.030 2.168 2.144 2.229 . 0 0 "[ . 1 . 2]" 1
224 1 59 THR HA 1 60 GLU H 3.520 . 4.020 2.476 2.375 2.606 . 0 0 "[ . 1 . 2]" 1
225 1 59 THR HA 1 77 ILE MD 4.980 . 5.480 3.372 2.551 4.260 . 0 0 "[ . 1 . 2]" 1
226 1 59 THR HB 1 60 GLU H 3.030 . 3.530 2.054 1.906 2.238 . 0 0 "[ . 1 . 2]" 1
227 1 59 THR HB 1 60 GLU HB2 5.500 . 6.000 5.084 4.782 5.344 . 0 0 "[ . 1 . 2]" 1
228 1 59 THR HB 1 60 GLU HG2 4.290 . 4.790 2.875 2.701 3.083 . 0 0 "[ . 1 . 2]" 1
229 1 59 THR HB 1 60 GLU HG3 4.290 . 4.790 4.450 4.322 4.614 . 0 0 "[ . 1 . 2]" 1
230 1 59 THR HB 1 61 ASN HB3 5.160 . 5.660 3.960 3.736 4.112 . 0 0 "[ . 1 . 2]" 1
231 1 59 THR MG 1 60 GLU H 4.430 . 4.930 2.830 2.651 3.044 . 0 0 "[ . 1 . 2]" 1
232 1 59 THR MG 1 60 GLU HA 6.610 . 7.110 5.106 4.993 5.259 . 0 0 "[ . 1 . 2]" 1
233 1 59 THR MG 1 60 GLU HB2 6.610 . 7.110 5.707 5.620 5.766 . 0 0 "[ . 1 . 2]" 1
234 1 59 THR MG 1 61 ASN H 5.560 . 6.060 4.183 4.014 4.274 . 0 0 "[ . 1 . 2]" 1
235 1 59 THR MG 1 61 ASN HB3 6.290 . 6.790 5.097 4.935 5.266 . 0 0 "[ . 1 . 2]" 1
236 1 59 THR MG 1 61 ASN HD21 5.440 . 5.940 4.295 3.976 5.455 . 0 0 "[ . 1 . 2]" 1
237 1 59 THR O 1 63 ILE H 2.400 . 2.900 2.605 2.476 2.672 . 0 0 "[ . 1 . 2]" 1
238 1 59 THR O 1 63 ILE N 3.400 2.400 3.900 3.455 3.338 3.533 . 0 0 "[ . 1 . 2]" 1
239 1 60 GLU H 1 60 GLU HB2 4.000 . 4.500 3.478 3.320 3.532 . 0 0 "[ . 1 . 2]" 1
240 1 60 GLU H 1 60 GLU HB3 4.200 . 4.700 2.214 1.966 2.336 . 0 0 "[ . 1 . 2]" 1
241 1 60 GLU H 1 60 GLU HG2 4.100 . 4.600 2.527 2.287 2.969 . 0 0 "[ . 1 . 2]" 1
242 1 60 GLU H 1 60 GLU HG3 4.170 . 4.670 3.795 3.573 4.036 . 0 0 "[ . 1 . 2]" 1
243 1 60 GLU H 1 61 ASN H 4.950 . 5.450 2.895 2.743 3.002 . 0 0 "[ . 1 . 2]" 1
244 1 60 GLU H 1 61 ASN HB3 5.090 . 5.590 4.990 4.849 5.146 . 0 0 "[ . 1 . 2]" 1
245 1 60 GLU H 1 61 ASN HD21 5.500 . 6.000 3.890 3.672 5.389 . 0 0 "[ . 1 . 2]" 1
246 1 60 GLU H 1 77 ILE MD 5.420 . 5.920 2.354 1.726 2.966 0.074 8 0 "[ . 1 . 2]" 1
247 1 60 GLU HA 1 60 GLU HG2 3.780 . 4.280 3.706 3.666 3.766 . 0 0 "[ . 1 . 2]" 1
248 1 60 GLU HA 1 60 GLU HG3 3.860 . 4.360 3.710 3.586 3.772 . 0 0 "[ . 1 . 2]" 1
249 1 60 GLU HA 1 63 ILE H 4.370 . 4.870 2.740 2.599 2.910 . 0 0 "[ . 1 . 2]" 1
250 1 60 GLU HA 1 63 ILE HB 3.440 . 3.940 2.161 1.952 2.499 . 0 0 "[ . 1 . 2]" 1
251 1 60 GLU HA 1 63 ILE MD 4.820 . 5.320 1.979 1.895 2.112 . 0 0 "[ . 1 . 2]" 1
252 1 60 GLU HA 1 63 ILE HG13 3.730 . 4.230 2.309 2.126 2.708 . 0 0 "[ . 1 . 2]" 1
253 1 60 GLU HA 1 63 ILE MG 5.570 . 6.070 3.553 3.408 3.813 . 0 0 "[ . 1 . 2]" 1
254 1 60 GLU HA 1 64 TYR H 5.300 . 5.800 3.864 3.707 4.046 . 0 0 "[ . 1 . 2]" 1
255 1 60 GLU HA 1 75 VAL HB 5.080 . 5.580 3.989 3.610 4.319 . 0 0 "[ . 1 . 2]" 1
256 1 60 GLU HA 1 75 VAL MG1 4.640 . 5.140 2.912 2.546 3.387 . 0 0 "[ . 1 . 2]" 1
257 1 60 GLU HA 1 75 VAL MG2 6.160 . 6.660 4.432 4.056 5.196 . 0 0 "[ . 1 . 2]" 1
258 1 60 GLU HA 1 77 ILE MD 4.590 . 5.090 3.594 2.892 3.998 . 0 0 "[ . 1 . 2]" 1
259 1 60 GLU HA 1 77 ILE HG12 5.260 . 5.760 5.030 4.628 5.402 . 0 0 "[ . 1 . 2]" 1
260 1 60 GLU HB2 1 61 ASN H 4.460 . 4.960 4.115 4.047 4.268 . 0 0 "[ . 1 . 2]" 1
261 1 60 GLU HB2 1 64 TYR QE 5.610 . 6.110 4.159 3.829 4.533 . 0 0 "[ . 1 . 2]" 1
262 1 60 GLU HB3 1 64 TYR QD 6.090 . 6.590 5.009 4.781 5.348 . 0 0 "[ . 1 . 2]" 1
263 1 60 GLU HB3 1 64 TYR QE 6.060 . 6.560 5.425 5.146 5.599 . 0 0 "[ . 1 . 2]" 1
264 1 60 GLU HB3 1 75 VAL MG2 5.580 . 6.080 3.902 3.504 4.311 . 0 0 "[ . 1 . 2]" 1
265 1 60 GLU HG2 1 61 ASN H 5.190 . 5.690 2.355 2.196 2.554 . 0 0 "[ . 1 . 2]" 1
266 1 60 GLU HG2 1 61 ASN HA 4.510 . 5.010 4.024 3.613 4.298 . 0 0 "[ . 1 . 2]" 1
267 1 60 GLU HG2 1 62 ASP H 5.500 . 6.000 4.835 4.716 4.983 . 0 0 "[ . 1 . 2]" 1
268 1 60 GLU HG2 1 64 TYR QD 5.330 . 5.830 5.042 4.905 5.110 . 0 0 "[ . 1 . 2]" 1
269 1 60 GLU HG2 1 64 TYR QE 4.830 . 5.330 4.280 4.089 4.363 . 0 0 "[ . 1 . 2]" 1
270 1 60 GLU HG2 1 75 VAL MG2 4.840 . 5.340 4.123 4.001 4.280 . 0 0 "[ . 1 . 2]" 1
271 1 60 GLU HG3 1 62 ASP H 5.050 . 5.550 4.886 4.741 5.050 . 0 0 "[ . 1 . 2]" 1
272 1 60 GLU HG3 1 75 VAL MG1 5.140 . 5.640 3.457 2.686 3.842 . 0 0 "[ . 1 . 2]" 1
273 1 60 GLU HG3 1 75 VAL MG2 5.980 . 6.480 2.760 2.584 3.193 . 0 0 "[ . 1 . 2]" 1
274 1 60 GLU HG3 1 77 ILE MD 5.340 . 5.840 4.524 4.280 4.737 . 0 0 "[ . 1 . 2]" 1
275 1 60 GLU O 1 64 TYR H 2.400 . 2.900 2.371 2.204 2.495 . 0 0 "[ . 1 . 2]" 1
276 1 60 GLU O 1 64 TYR N 3.400 2.400 3.900 3.348 3.200 3.469 . 0 0 "[ . 1 . 2]" 1
277 1 61 ASN H 1 61 ASN HB3 3.570 . 4.070 2.309 2.254 2.630 . 0 0 "[ . 1 . 2]" 1
278 1 61 ASN H 1 61 ASN HD21 4.550 . 5.050 1.864 1.710 3.177 0.090 1 0 "[ . 1 . 2]" 1
279 1 61 ASN H 1 62 ASP H 5.130 . 5.630 2.792 2.669 2.852 . 0 0 "[ . 1 . 2]" 1
280 1 61 ASN HA 1 61 ASN HD21 4.290 . 4.790 3.620 3.515 3.934 . 0 0 "[ . 1 . 2]" 1
281 1 61 ASN HA 1 61 ASN HD22 5.220 . 5.720 4.858 4.826 5.041 . 0 0 "[ . 1 . 2]" 1
282 1 61 ASN HA 1 64 TYR QD 5.280 . 5.780 3.817 3.607 4.007 . 0 0 "[ . 1 . 2]" 1
283 1 61 ASN HA 1 64 TYR QE 4.090 . 4.590 2.404 2.224 2.798 . 0 0 "[ . 1 . 2]" 1
284 1 61 ASN HB2 1 64 TYR QE 4.750 . 5.250 4.316 4.166 4.389 . 0 0 "[ . 1 . 2]" 1
285 1 61 ASN HD21 1 62 ASP H 2.870 . 3.370 2.252 2.054 2.933 . 0 0 "[ . 1 . 2]" 1
286 1 62 ASP H 1 62 ASP HB2 3.480 . 3.980 2.778 2.326 2.941 . 0 0 "[ . 1 . 2]" 1
287 1 62 ASP H 1 62 ASP HB3 3.200 . 3.700 2.910 2.647 3.581 . 0 0 "[ . 1 . 2]" 1
288 1 62 ASP H 1 63 ILE HB 4.610 . 5.110 4.021 3.789 4.328 . 0 0 "[ . 1 . 2]" 1
289 1 62 ASP H 1 63 ILE HG13 4.390 . 4.890 3.449 3.311 3.587 . 0 0 "[ . 1 . 2]" 1
290 1 62 ASP H 1 64 TYR H 4.730 . 5.230 4.189 3.952 4.455 . 0 0 "[ . 1 . 2]" 1
291 1 62 ASP HA 1 63 ILE HB 5.010 . 5.510 5.482 5.373 5.668 0.158 15 0 "[ . 1 . 2]" 1
292 1 62 ASP HA 1 65 ASN HD21 4.000 . 4.500 2.411 2.116 2.655 . 0 0 "[ . 1 . 2]" 1
293 1 62 ASP HA 1 65 ASN HD22 4.110 . 4.610 3.915 3.103 4.248 . 0 0 "[ . 1 . 2]" 1
294 1 62 ASP HA 1 110 MET ME 5.870 . 6.370 4.202 3.775 4.900 . 0 0 "[ . 1 . 2]" 1
295 1 62 ASP HB2 1 63 ILE H 4.050 . 4.550 3.920 2.849 4.139 . 0 0 "[ . 1 . 2]" 1
296 1 62 ASP HB2 1 63 ILE HG13 5.390 . 5.890 5.153 3.524 5.503 . 0 0 "[ . 1 . 2]" 1
297 1 62 ASP HB3 1 63 ILE H 4.360 . 4.860 3.373 3.113 3.966 . 0 0 "[ . 1 . 2]" 1
298 1 62 ASP HB3 1 110 MET ME 5.060 . 5.560 2.795 2.165 3.592 . 0 0 "[ . 1 . 2]" 1
299 1 62 ASP O 1 66 PHE H 2.400 . 2.900 2.503 2.041 2.627 . 0 0 "[ . 1 . 2]" 1
300 1 62 ASP O 1 66 PHE N 3.400 2.400 3.900 2.991 2.834 3.139 . 0 0 "[ . 1 . 2]" 1
301 1 63 ILE H 1 63 ILE HB 3.780 . 4.280 2.341 2.242 2.412 . 0 0 "[ . 1 . 2]" 1
302 1 63 ILE H 1 63 ILE MD 4.640 . 5.140 3.588 3.506 3.672 . 0 0 "[ . 1 . 2]" 1
303 1 63 ILE H 1 63 ILE HG13 3.490 . 3.990 2.182 2.076 2.333 . 0 0 "[ . 1 . 2]" 1
304 1 63 ILE H 1 63 ILE MG 4.470 . 4.970 3.730 3.699 3.755 . 0 0 "[ . 1 . 2]" 1
305 1 63 ILE H 1 64 TYR H 3.990 . 4.490 2.873 2.754 3.012 . 0 0 "[ . 1 . 2]" 1
306 1 63 ILE H 1 75 VAL MG1 5.480 . 5.980 3.970 3.765 4.438 . 0 0 "[ . 1 . 2]" 1
307 1 63 ILE H 1 110 MET ME 4.980 . 5.480 3.756 3.255 4.208 . 0 0 "[ . 1 . 2]" 1
308 1 63 ILE HA 1 64 TYR HA 5.020 . 5.520 4.627 4.557 4.679 . 0 0 "[ . 1 . 2]" 1
309 1 63 ILE HA 1 66 PHE H 4.550 . 5.050 3.531 3.165 3.904 . 0 0 "[ . 1 . 2]" 1
310 1 63 ILE HA 1 66 PHE QD 5.610 . 6.110 2.660 2.145 3.880 . 0 0 "[ . 1 . 2]" 1
311 1 63 ILE HA 1 67 PHE H 5.200 . 5.700 4.385 4.080 4.843 . 0 0 "[ . 1 . 2]" 1
312 1 63 ILE HA 1 67 PHE QD 5.340 . 5.840 4.023 3.482 4.553 . 0 0 "[ . 1 . 2]" 1
313 1 63 ILE HA 1 110 MET ME 4.260 . 4.760 2.636 2.238 3.147 . 0 0 "[ . 1 . 2]" 1
314 1 63 ILE HB 1 64 TYR H 4.010 . 4.510 2.295 2.121 2.542 . 0 0 "[ . 1 . 2]" 1
315 1 63 ILE HB 1 64 TYR QD 4.890 . 5.390 3.576 3.155 4.109 . 0 0 "[ . 1 . 2]" 1
316 1 63 ILE HB 1 65 ASN H 5.500 . 6.000 4.386 4.233 4.549 . 0 0 "[ . 1 . 2]" 1
317 1 63 ILE HB 1 75 VAL HA 5.120 . 5.620 4.961 4.589 5.196 . 0 0 "[ . 1 . 2]" 1
318 1 63 ILE MD 1 64 TYR H 5.490 . 5.990 4.316 4.083 4.583 . 0 0 "[ . 1 . 2]" 1
319 1 63 ILE MD 1 65 ASN H 6.610 . 7.110 5.950 5.834 6.086 . 0 0 "[ . 1 . 2]" 1
320 1 63 ILE MD 1 67 PHE QE 6.630 . 7.130 4.548 3.838 4.986 . 0 0 "[ . 1 . 2]" 1
321 1 63 ILE MD 1 75 VAL HA 6.170 . 6.670 4.288 3.662 4.878 . 0 0 "[ . 1 . 2]" 1
322 1 63 ILE MD 1 89 ALA H 6.320 . 6.820 5.130 4.652 5.425 . 0 0 "[ . 1 . 2]" 1
323 1 63 ILE MD 1 89 ALA HA 6.610 . 7.110 4.518 4.046 5.129 . 0 0 "[ . 1 . 2]" 1
324 1 63 ILE MD 1 89 ALA MB 4.790 . 5.290 2.283 1.880 2.722 . 0 0 "[ . 1 . 2]" 1
325 1 63 ILE MD 1 90 ASP H 5.970 . 6.470 4.299 3.846 4.930 . 0 0 "[ . 1 . 2]" 1
326 1 63 ILE HG12 1 64 TYR H 5.500 . 6.000 4.898 4.815 5.003 . 0 0 "[ . 1 . 2]" 1
327 1 63 ILE MG 1 64 TYR H 5.450 . 5.950 2.967 2.726 3.086 . 0 0 "[ . 1 . 2]" 1
328 1 63 ILE MG 1 67 PHE QD 5.220 . 5.720 2.273 2.027 2.640 . 0 0 "[ . 1 . 2]" 1
329 1 63 ILE MG 1 67 PHE QE 5.060 . 5.560 2.747 2.200 3.211 . 0 0 "[ . 1 . 2]" 1
330 1 63 ILE MG 1 110 MET ME 6.560 . 7.060 4.141 3.600 4.635 . 0 0 "[ . 1 . 2]" 1
331 1 63 ILE O 1 67 PHE H 2.400 . 2.900 2.305 2.035 2.634 . 0 0 "[ . 1 . 2]" 1
332 1 63 ILE O 1 67 PHE N 3.400 2.400 3.900 3.169 2.878 3.356 . 0 0 "[ . 1 . 2]" 1
333 1 64 TYR H 1 64 TYR HB2 3.820 . 4.320 3.657 3.636 3.687 . 0 0 "[ . 1 . 2]" 1
334 1 64 TYR H 1 64 TYR HB3 3.440 . 3.940 2.656 2.596 2.735 . 0 0 "[ . 1 . 2]" 1
335 1 64 TYR H 1 64 TYR QD 4.740 . 5.240 2.461 1.838 2.968 . 0 0 "[ . 1 . 2]" 1
336 1 64 TYR H 1 64 TYR QE 6.170 . 6.670 4.230 4.018 4.431 . 0 0 "[ . 1 . 2]" 1
337 1 64 TYR HA 1 67 PHE H 3.840 . 4.340 3.438 3.033 3.755 . 0 0 "[ . 1 . 2]" 1
338 1 64 TYR HB2 1 74 ARG HG2 3.700 . 4.200 3.439 2.777 3.806 . 0 0 "[ . 1 . 2]" 1
339 1 64 TYR HB2 1 74 ARG HG3 3.830 . 4.330 3.486 2.409 4.115 . 0 0 "[ . 1 . 2]" 1
340 1 64 TYR HB3 1 74 ARG HG2 3.650 . 4.150 3.589 3.150 3.794 . 0 0 "[ . 1 . 2]" 1
341 1 64 TYR HB3 1 74 ARG HG3 3.740 . 4.240 2.925 2.210 3.567 . 0 0 "[ . 1 . 2]" 1
342 1 64 TYR QD 1 71 ASN HA 6.020 . 6.520 4.780 4.228 5.267 . 0 0 "[ . 1 . 2]" 1
343 1 64 TYR QD 1 72 PRO HA 4.290 . 4.790 3.166 2.543 3.574 . 0 0 "[ . 1 . 2]" 1
344 1 64 TYR QD 1 72 PRO HB2 4.580 . 5.080 4.036 3.775 4.265 . 0 0 "[ . 1 . 2]" 1
345 1 64 TYR QD 1 75 VAL HA 5.110 . 5.610 4.873 4.723 5.015 . 0 0 "[ . 1 . 2]" 1
346 1 64 TYR QD 1 75 VAL MG1 7.410 . 7.910 1.889 1.834 1.933 . 0 0 "[ . 1 . 2]" 1
347 1 64 TYR QD 1 75 VAL MG2 4.810 . 5.310 2.413 2.044 3.667 . 0 0 "[ . 1 . 2]" 1
348 1 64 TYR QE 1 65 ASN H 5.960 . 6.460 5.322 4.980 5.421 . 0 0 "[ . 1 . 2]" 1
349 1 64 TYR QE 1 71 ASN HA 6.170 . 6.670 5.641 5.296 5.792 . 0 0 "[ . 1 . 2]" 1
350 1 64 TYR QE 1 72 PRO HB2 3.980 . 4.480 3.695 3.570 3.776 . 0 0 "[ . 1 . 2]" 1
351 1 64 TYR QE 1 72 PRO HB3 6.170 . 6.670 2.694 2.256 3.147 . 0 0 "[ . 1 . 2]" 1
352 1 64 TYR QE 1 75 VAL HB 5.860 . 6.360 5.036 4.689 5.310 . 0 0 "[ . 1 . 2]" 1
353 1 64 TYR QE 1 75 VAL MG1 5.000 . 5.500 3.646 2.994 3.812 . 0 0 "[ . 1 . 2]" 1
354 1 64 TYR QE 1 75 VAL MG2 5.690 . 6.190 2.941 2.629 3.832 . 0 0 "[ . 1 . 2]" 1
355 1 65 ASN H 1 65 ASN HB2 3.000 . 3.500 2.891 2.427 3.214 . 0 0 "[ . 1 . 2]" 1
356 1 65 ASN H 1 65 ASN HB3 3.480 . 3.980 2.769 2.091 3.726 . 0 0 "[ . 1 . 2]" 1
357 1 65 ASN H 1 65 ASN HD21 4.650 . 5.150 3.933 3.363 4.244 . 0 0 "[ . 1 . 2]" 1
358 1 65 ASN H 1 66 PHE H 4.040 . 4.540 2.067 1.882 2.237 . 0 0 "[ . 1 . 2]" 1
359 1 65 ASN H 1 67 PHE H 5.150 . 5.650 3.496 3.176 3.641 . 0 0 "[ . 1 . 2]" 1
360 1 65 ASN H 1 110 MET ME 6.450 . 6.950 4.449 4.192 4.824 . 0 0 "[ . 1 . 2]" 1
361 1 65 ASN HB3 1 65 ASN HD21 3.470 . 3.970 2.480 2.132 3.119 . 0 0 "[ . 1 . 2]" 1
362 1 65 ASN HB3 1 65 ASN HD22 3.640 . 4.140 3.591 3.437 3.867 . 0 0 "[ . 1 . 2]" 1
363 1 65 ASN HB3 1 110 MET ME 6.610 . 7.110 5.074 4.372 5.636 . 0 0 "[ . 1 . 2]" 1
364 1 66 PHE H 1 66 PHE QD 4.590 . 5.090 2.883 2.296 4.012 . 0 0 "[ . 1 . 2]" 1
365 1 66 PHE H 1 67 PHE H 3.950 . 4.450 1.995 1.811 2.432 . 0 0 "[ . 1 . 2]" 1
366 1 66 PHE H 1 68 SER H 5.500 . 6.000 4.214 3.642 4.944 . 0 0 "[ . 1 . 2]" 1
367 1 66 PHE H 1 110 MET ME 5.260 . 5.760 3.800 3.449 4.031 . 0 0 "[ . 1 . 2]" 1
368 1 66 PHE HA 1 110 MET ME 5.390 . 5.890 4.406 3.886 4.619 . 0 0 "[ . 1 . 2]" 1
369 1 66 PHE QB 1 67 PHE H 4.090 . 4.590 3.448 2.879 3.698 . 0 0 "[ . 1 . 2]" 1
370 1 66 PHE QB 1 110 MET ME 4.500 . 5.000 2.072 1.887 2.238 . 0 0 "[ . 1 . 2]" 1
371 1 66 PHE QD 1 67 PHE H 5.300 . 5.800 2.874 2.519 4.067 . 0 0 "[ . 1 . 2]" 1
372 1 66 PHE QD 1 68 SER H 6.160 . 6.660 5.301 5.011 5.568 . 0 0 "[ . 1 . 2]" 1
373 1 66 PHE QD 1 108 ALA MB 7.410 . 7.910 4.330 3.332 5.135 . 0 0 "[ . 1 . 2]" 1
374 1 66 PHE QD 1 110 MET ME 5.320 . 5.820 2.947 2.336 3.563 . 0 0 "[ . 1 . 2]" 1
375 1 66 PHE QE 1 67 PHE QE 6.010 . 6.510 3.578 3.093 4.083 . 0 0 "[ . 1 . 2]" 1
376 1 66 PHE QE 1 105 LYS HA 6.170 . 6.670 5.021 4.448 5.500 . 0 0 "[ . 1 . 2]" 1
377 1 66 PHE QE 1 108 ALA H 6.010 . 6.510 4.432 3.965 4.928 . 0 0 "[ . 1 . 2]" 1
378 1 66 PHE QE 1 108 ALA MB 5.230 . 5.730 2.834 2.202 3.503 . 0 0 "[ . 1 . 2]" 1
379 1 66 PHE QE 1 110 MET ME 6.550 . 7.050 3.983 3.004 4.979 . 0 0 "[ . 1 . 2]" 1
380 1 66 PHE QE 1 115 ILE H 5.620 . 6.120 5.041 4.912 5.140 . 0 0 "[ . 1 . 2]" 1
381 1 66 PHE QE 1 115 ILE MD 6.970 . 7.470 5.012 4.482 5.264 . 0 0 "[ . 1 . 2]" 1
382 1 66 PHE QE 1 115 ILE MG 6.160 . 6.660 3.089 2.745 3.328 . 0 0 "[ . 1 . 2]" 1
383 1 66 PHE QE 1 117 LEU MD1 6.300 . 6.800 3.703 3.103 4.757 . 0 0 "[ . 1 . 2]" 1
384 1 66 PHE QE 1 117 LEU MD2 7.120 . 7.620 4.879 3.349 5.366 . 0 0 "[ . 1 . 2]" 1
385 1 66 PHE HZ 1 67 PHE QE 5.510 . 6.010 5.023 4.912 5.181 . 0 0 "[ . 1 . 2]" 1
386 1 66 PHE HZ 1 108 ALA MB 4.960 . 5.460 4.097 3.599 4.309 . 0 0 "[ . 1 . 2]" 1
387 1 66 PHE HZ 1 115 ILE HB 4.110 . 4.610 3.557 3.095 4.031 . 0 0 "[ . 1 . 2]" 1
388 1 66 PHE HZ 1 115 ILE MD 6.610 . 7.110 5.404 4.977 5.713 . 0 0 "[ . 1 . 2]" 1
389 1 66 PHE HZ 1 115 ILE MG 5.140 . 5.640 2.645 2.119 3.163 . 0 0 "[ . 1 . 2]" 1
390 1 66 PHE HZ 1 117 LEU MD1 5.180 . 5.680 2.842 2.190 4.350 . 0 0 "[ . 1 . 2]" 1
391 1 67 PHE H 1 67 PHE HB2 3.790 . 4.290 2.025 1.933 2.443 . 0 0 "[ . 1 . 2]" 1
392 1 67 PHE H 1 67 PHE HB3 3.700 . 4.200 3.241 3.023 3.638 . 0 0 "[ . 1 . 2]" 1
393 1 67 PHE H 1 110 MET ME 6.450 . 6.950 4.908 4.446 5.374 . 0 0 "[ . 1 . 2]" 1
394 1 67 PHE HA 1 67 PHE QD 4.050 . 4.550 2.660 1.981 2.894 . 0 0 "[ . 1 . 2]" 1
395 1 67 PHE HA 1 67 PHE QE 4.980 . 5.480 4.389 4.152 4.486 . 0 0 "[ . 1 . 2]" 1
396 1 67 PHE HA 1 102 ALA MB 5.730 . 6.230 4.219 2.823 4.743 . 0 0 "[ . 1 . 2]" 1
397 1 67 PHE HB2 1 68 SER H 4.310 . 4.810 3.076 2.398 4.432 . 0 0 "[ . 1 . 2]" 1
398 1 67 PHE HB3 1 68 SER H 4.740 . 5.240 2.814 2.291 4.380 . 0 0 "[ . 1 . 2]" 1
399 1 67 PHE HB3 1 70 LEU H 5.500 . 6.000 5.148 4.628 5.495 . 0 0 "[ . 1 . 2]" 1
400 1 67 PHE HB3 1 70 LEU MD2 5.280 . 5.780 4.313 3.626 4.707 . 0 0 "[ . 1 . 2]" 1
401 1 67 PHE QD 1 75 VAL MG1 6.120 . 6.620 4.547 4.262 4.722 . 0 0 "[ . 1 . 2]" 1
402 1 67 PHE QD 1 91 VAL MG1 6.750 . 7.250 3.139 2.331 4.028 . 0 0 "[ . 1 . 2]" 1
403 1 67 PHE QD 1 91 VAL MG2 6.270 . 6.770 3.798 3.104 4.146 . 0 0 "[ . 1 . 2]" 1
404 1 67 PHE QD 1 102 ALA HA 4.960 . 5.460 3.435 2.682 4.467 . 0 0 "[ . 1 . 2]" 1
405 1 67 PHE QD 1 102 ALA MB 5.100 . 5.600 2.116 1.975 2.535 . 0 0 "[ . 1 . 2]" 1
406 1 67 PHE QE 1 91 VAL H 5.850 . 6.350 5.311 5.167 5.397 . 0 0 "[ . 1 . 2]" 1
407 1 67 PHE QE 1 91 VAL HB 5.340 . 5.840 4.498 2.955 4.857 . 0 0 "[ . 1 . 2]" 1
408 1 67 PHE QE 1 91 VAL MG1 5.650 . 6.150 2.540 2.151 3.062 . 0 0 "[ . 1 . 2]" 1
409 1 67 PHE QE 1 91 VAL MG2 6.650 . 7.150 2.782 2.427 3.390 . 0 0 "[ . 1 . 2]" 1
410 1 67 PHE QE 1 102 ALA MB 4.690 . 5.190 2.992 2.388 3.547 . 0 0 "[ . 1 . 2]" 1
411 1 67 PHE QE 1 115 ILE MG 7.360 . 7.860 5.435 4.572 5.597 . 0 0 "[ . 1 . 2]" 1
412 1 67 PHE QE 1 117 LEU MD1 6.650 . 7.150 3.700 3.338 3.971 . 0 0 "[ . 1 . 2]" 1
413 1 67 PHE QE 1 117 LEU MD2 6.310 . 6.810 2.139 1.921 2.893 . 0 0 "[ . 1 . 2]" 1
414 1 67 PHE HZ 1 103 MET ME 5.700 . 6.200 4.884 4.786 5.093 . 0 0 "[ . 1 . 2]" 1
415 1 68 SER H 1 68 SER HB2 3.370 . 3.870 3.210 2.403 3.958 0.088 15 0 "[ . 1 . 2]" 1
416 1 68 SER H 1 70 LEU H 4.520 . 5.020 4.100 3.445 4.843 . 0 0 "[ . 1 . 2]" 1
417 1 68 SER H 1 70 LEU HB2 5.420 . 5.920 4.499 3.831 5.460 . 0 0 "[ . 1 . 2]" 1
418 1 68 SER HB2 1 70 LEU H 4.530 . 5.030 3.236 2.430 4.807 . 0 0 "[ . 1 . 2]" 1
419 1 68 SER HB3 1 70 LEU H 4.610 . 5.110 2.886 2.166 4.175 . 0 0 "[ . 1 . 2]" 1
420 1 68 SER HB3 1 70 LEU MD2 6.040 . 6.540 3.133 1.987 5.138 . 0 0 "[ . 1 . 2]" 1
421 1 69 PRO HD2 1 70 LEU H 4.740 . 5.240 3.221 2.913 3.593 . 0 0 "[ . 1 . 2]" 1
422 1 69 PRO HD3 1 70 LEU H 4.300 . 4.800 4.152 4.010 4.348 . 0 0 "[ . 1 . 2]" 1
423 1 69 PRO HD3 1 70 LEU MD1 6.610 . 7.110 4.843 4.145 5.907 . 0 0 "[ . 1 . 2]" 1
424 1 69 PRO HG2 1 70 LEU H 5.150 . 5.650 3.734 3.154 5.251 . 0 0 "[ . 1 . 2]" 1
425 1 69 PRO HG2 1 70 LEU MD2 6.530 . 7.030 5.045 2.945 5.505 . 0 0 "[ . 1 . 2]" 1
426 1 69 PRO HG3 1 70 LEU H 5.500 . 6.000 4.780 4.552 5.179 . 0 0 "[ . 1 . 2]" 1
427 1 70 LEU H 1 70 LEU HB2 3.590 . 4.090 2.200 1.982 2.516 . 0 0 "[ . 1 . 2]" 1
428 1 70 LEU H 1 70 LEU MD1 4.380 . 4.880 2.544 1.968 3.606 . 0 0 "[ . 1 . 2]" 1
429 1 70 LEU H 1 70 LEU MD2 4.230 . 4.730 3.150 1.774 3.570 0.026 17 0 "[ . 1 . 2]" 1
430 1 70 LEU H 1 70 LEU HG 3.430 . 3.930 3.572 1.921 4.049 0.119 18 0 "[ . 1 . 2]" 1
431 1 70 LEU H 1 71 ASN H 4.550 . 5.050 4.409 2.743 4.603 . 0 0 "[ . 1 . 2]" 1
432 1 70 LEU HA 1 70 LEU MD1 4.310 . 4.810 2.364 1.944 3.775 . 0 0 "[ . 1 . 2]" 1
433 1 70 LEU HA 1 70 LEU HG 3.320 . 3.820 2.834 2.498 3.558 . 0 0 "[ . 1 . 2]" 1
434 1 70 LEU HA 1 71 ASN H 3.180 . 3.680 2.448 2.074 3.256 . 0 0 "[ . 1 . 2]" 1
435 1 70 LEU HA 1 71 ASN HD21 5.500 . 6.000 4.639 3.642 5.708 . 0 0 "[ . 1 . 2]" 1
436 1 70 LEU HB2 1 71 ASN H 4.240 . 4.740 3.602 1.980 4.132 . 0 0 "[ . 1 . 2]" 1
437 1 70 LEU HB2 1 71 ASN HA 5.500 . 6.000 5.376 4.454 5.711 . 0 0 "[ . 1 . 2]" 1
438 1 70 LEU HB2 1 102 ALA MB 6.550 . 7.050 4.179 3.846 4.895 . 0 0 "[ . 1 . 2]" 1
439 1 70 LEU HB3 1 71 ASN H 5.180 . 5.680 2.529 1.720 4.122 0.080 20 0 "[ . 1 . 2]" 1
440 1 70 LEU HB3 1 93 PHE QE 5.190 . 5.690 3.934 3.218 4.727 . 0 0 "[ . 1 . 2]" 1
441 1 70 LEU MD1 1 71 ASN H 4.490 . 4.990 3.702 3.166 4.021 . 0 0 "[ . 1 . 2]" 1
442 1 70 LEU MD1 1 71 ASN HB2 6.410 . 6.910 5.483 4.937 5.736 . 0 0 "[ . 1 . 2]" 1
443 1 70 LEU MD1 1 71 ASN HD21 6.610 . 7.110 5.476 4.944 6.158 . 0 0 "[ . 1 . 2]" 1
444 1 70 LEU MD1 1 98 GLU HA 4.460 . 4.960 3.848 3.142 4.052 . 0 0 "[ . 1 . 2]" 1
445 1 70 LEU MD2 1 71 ASN H 5.460 . 5.960 4.281 3.703 4.844 . 0 0 "[ . 1 . 2]" 1
446 1 70 LEU MD2 1 93 PHE HA 6.460 . 6.960 5.063 4.417 5.788 . 0 0 "[ . 1 . 2]" 1
447 1 70 LEU MD2 1 93 PHE QE 5.970 . 6.470 2.556 2.058 4.083 . 0 0 "[ . 1 . 2]" 1
448 1 70 LEU MD2 1 98 GLU H 6.610 . 7.110 5.176 4.794 5.616 . 0 0 "[ . 1 . 2]" 1
449 1 70 LEU MD2 1 98 GLU HA 4.110 . 4.610 2.976 2.592 3.334 . 0 0 "[ . 1 . 2]" 1
450 1 70 LEU MD2 1 101 ALA MB 4.630 . 5.130 2.424 2.118 2.844 . 0 0 "[ . 1 . 2]" 1
451 1 70 LEU MD2 1 102 ALA H 4.500 . 5.000 3.739 3.492 3.855 . 0 0 "[ . 1 . 2]" 1
452 1 70 LEU MD2 1 102 ALA HA 4.230 . 4.730 3.570 3.246 3.738 . 0 0 "[ . 1 . 2]" 1
453 1 70 LEU MD2 1 102 ALA MB 5.110 . 5.610 2.372 2.013 3.424 . 0 0 "[ . 1 . 2]" 1
454 1 70 LEU HG 1 71 ASN H 5.500 . 6.000 3.681 2.827 5.509 . 0 0 "[ . 1 . 2]" 1
455 1 70 LEU HG 1 102 ALA MB 6.340 . 6.840 4.579 2.745 5.148 . 0 0 "[ . 1 . 2]" 1
456 1 71 ASN H 1 71 ASN HB2 3.620 . 4.120 2.458 2.227 3.527 . 0 0 "[ . 1 . 2]" 1
457 1 71 ASN H 1 71 ASN HB3 3.550 . 4.050 3.563 3.455 4.033 . 0 0 "[ . 1 . 2]" 1
458 1 71 ASN H 1 71 ASN HD21 4.480 . 4.980 3.381 2.915 4.421 . 0 0 "[ . 1 . 2]" 1
459 1 71 ASN H 1 71 ASN HD22 5.000 . 5.500 3.939 3.714 4.533 . 0 0 "[ . 1 . 2]" 1
460 1 71 ASN H 1 72 PRO HD3 4.680 . 5.180 4.871 4.585 4.974 . 0 0 "[ . 1 . 2]" 1
461 1 71 ASN HA 1 71 ASN HD22 5.170 . 5.670 4.652 3.704 5.011 . 0 0 "[ . 1 . 2]" 1
462 1 71 ASN HA 1 72 PRO HD3 3.630 . 4.130 2.183 2.111 2.388 . 0 0 "[ . 1 . 2]" 1
463 1 71 ASN HA 1 72 PRO HG2 4.760 . 5.260 4.725 4.595 4.812 . 0 0 "[ . 1 . 2]" 1
464 1 71 ASN HB2 1 71 ASN HD22 4.040 . 4.540 3.547 3.462 4.106 . 0 0 "[ . 1 . 2]" 1
465 1 71 ASN HB2 1 72 PRO HD3 4.330 . 4.830 4.384 3.947 4.472 . 0 0 "[ . 1 . 2]" 1
466 1 71 ASN HB3 1 71 ASN HD22 4.010 . 4.510 3.852 3.491 4.018 . 0 0 "[ . 1 . 2]" 1
467 1 71 ASN HB3 1 72 PRO HD3 4.480 . 4.980 3.228 3.127 4.017 . 0 0 "[ . 1 . 2]" 1
468 1 71 ASN HB3 1 73 VAL MG2 6.610 . 7.110 4.009 3.204 5.509 . 0 0 "[ . 1 . 2]" 1
469 1 72 PRO HA 1 74 ARG H 4.410 . 4.910 3.181 2.844 3.376 . 0 0 "[ . 1 . 2]" 1
470 1 72 PRO HB2 1 75 VAL MG2 6.260 . 6.760 3.753 2.951 4.801 . 0 0 "[ . 1 . 2]" 1
471 1 72 PRO HB3 1 73 VAL H 4.030 . 4.530 4.404 4.103 4.537 0.007 10 0 "[ . 1 . 2]" 1
472 1 72 PRO HB3 1 75 VAL MG2 6.180 . 6.680 4.421 3.714 5.210 . 0 0 "[ . 1 . 2]" 1
473 1 73 VAL H 1 73 VAL HB 4.160 . 4.660 3.617 2.581 3.919 . 0 0 "[ . 1 . 2]" 1
474 1 73 VAL H 1 73 VAL MG2 4.460 . 4.960 2.204 1.943 3.739 . 0 0 "[ . 1 . 2]" 1
475 1 73 VAL H 1 74 ARG H 3.870 . 4.370 2.880 1.824 3.311 . 0 0 "[ . 1 . 2]" 1
476 1 73 VAL HB 1 74 ARG H 4.590 . 5.090 4.474 4.402 4.524 . 0 0 "[ . 1 . 2]" 1
477 1 73 VAL HB 1 94 ALA MB 5.670 . 6.170 4.177 3.736 4.929 . 0 0 "[ . 1 . 2]" 1
478 1 73 VAL MG1 1 74 ARG H 5.340 . 5.840 4.357 2.863 4.484 . 0 0 "[ . 1 . 2]" 1
479 1 73 VAL MG1 1 94 ALA H 6.290 . 6.790 4.993 3.567 5.284 . 0 0 "[ . 1 . 2]" 1
480 1 73 VAL MG1 1 94 ALA MB 5.060 . 5.560 3.698 3.560 3.811 . 0 0 "[ . 1 . 2]" 1
481 1 73 VAL MG2 1 74 ARG H 4.410 . 4.910 3.428 3.263 3.929 . 0 0 "[ . 1 . 2]" 1
482 1 73 VAL MG2 1 74 ARG QB 6.560 . 7.060 2.390 2.161 3.590 . 0 0 "[ . 1 . 2]" 1
483 1 73 VAL MG2 1 92 GLU H 6.300 . 6.800 4.952 4.452 5.313 . 0 0 "[ . 1 . 2]" 1
484 1 73 VAL MG2 1 93 PHE H 6.590 . 7.090 5.151 4.631 5.548 . 0 0 "[ . 1 . 2]" 1
485 1 73 VAL MG2 1 93 PHE HA 4.460 . 4.960 3.174 2.633 3.528 . 0 0 "[ . 1 . 2]" 1
486 1 73 VAL MG2 1 93 PHE HB3 6.610 . 7.110 4.956 4.374 5.333 . 0 0 "[ . 1 . 2]" 1
487 1 73 VAL MG2 1 93 PHE QD 6.390 . 6.890 4.100 3.297 4.812 . 0 0 "[ . 1 . 2]" 1
488 1 73 VAL MG2 1 94 ALA H 4.910 . 5.410 3.167 2.985 3.683 . 0 0 "[ . 1 . 2]" 1
489 1 73 VAL MG2 1 94 ALA MB 5.050 . 5.550 2.891 2.364 3.314 . 0 0 "[ . 1 . 2]" 1
490 1 74 ARG H 1 74 ARG HG2 4.950 . 5.450 2.225 2.110 2.431 . 0 0 "[ . 1 . 2]" 1
491 1 74 ARG H 1 74 ARG HG3 5.460 . 5.960 3.167 2.981 3.430 . 0 0 "[ . 1 . 2]" 1
492 1 74 ARG H 1 75 VAL H 4.790 . 5.290 2.698 1.956 4.239 . 0 0 "[ . 1 . 2]" 1
493 1 74 ARG H 1 92 GLU H 5.200 . 5.700 5.008 4.655 5.276 . 0 0 "[ . 1 . 2]" 1
494 1 74 ARG HA 1 74 ARG HG2 3.790 . 4.290 3.721 3.653 3.806 . 0 0 "[ . 1 . 2]" 1
495 1 74 ARG HA 1 74 ARG HG3 3.870 . 4.370 3.814 3.747 3.893 . 0 0 "[ . 1 . 2]" 1
496 1 74 ARG HA 1 75 VAL H 3.380 . 3.880 3.152 2.170 3.601 . 0 0 "[ . 1 . 2]" 1
497 1 74 ARG QB 1 75 VAL H 4.620 . 5.120 3.576 1.713 4.154 0.087 18 0 "[ . 1 . 2]" 1
498 1 74 ARG QB 1 93 PHE HA 4.770 . 5.270 3.147 2.337 4.034 . 0 0 "[ . 1 . 2]" 1
499 1 74 ARG HG2 1 75 VAL H 4.930 . 5.430 3.792 2.908 4.810 . 0 0 "[ . 1 . 2]" 1
500 1 74 ARG HG3 1 75 VAL H 4.600 . 5.100 3.424 2.152 4.562 . 0 0 "[ . 1 . 2]" 1
501 1 75 VAL H 1 75 VAL HB 3.920 . 4.420 3.747 3.561 4.008 . 0 0 "[ . 1 . 2]" 1
502 1 75 VAL HA 1 76 HIS H 3.270 . 3.770 2.152 2.048 2.257 . 0 0 "[ . 1 . 2]" 1
503 1 75 VAL HA 1 90 ASP H 5.350 . 5.850 5.017 4.431 5.449 . 0 0 "[ . 1 . 2]" 1
504 1 75 VAL HB 1 76 HIS H 4.700 . 5.200 2.780 2.562 3.188 . 0 0 "[ . 1 . 2]" 1
505 1 75 VAL MG1 1 76 HIS H 4.780 . 5.280 3.214 2.954 3.803 . 0 0 "[ . 1 . 2]" 1
506 1 75 VAL MG1 1 76 HIS QB 7.120 . 7.620 5.028 4.831 5.313 . 0 0 "[ . 1 . 2]" 1
507 1 75 VAL MG2 1 76 HIS H 5.740 . 6.240 4.045 3.859 4.336 . 0 0 "[ . 1 . 2]" 1
508 1 75 VAL MG2 1 76 HIS QB 6.650 . 7.150 4.839 4.469 5.159 . 0 0 "[ . 1 . 2]" 1
509 1 76 HIS H 1 76 HIS HD2 4.820 . 5.320 5.065 4.896 5.156 . 0 0 "[ . 1 . 2]" 1
510 1 76 HIS H 1 90 ASP O 2.400 . 2.900 2.392 2.069 2.533 . 0 0 "[ . 1 . 2]" 1
511 1 76 HIS HA 1 76 HIS HD2 4.370 . 4.870 2.876 2.278 4.402 . 0 0 "[ . 1 . 2]" 1
512 1 76 HIS HA 1 77 ILE HB 4.450 . 4.950 4.380 4.203 4.494 . 0 0 "[ . 1 . 2]" 1
513 1 76 HIS HA 1 77 ILE MD 6.160 . 6.660 4.385 2.667 4.866 . 0 0 "[ . 1 . 2]" 1
514 1 76 HIS QB 1 77 ILE H 5.200 . 5.700 3.300 2.369 3.593 . 0 0 "[ . 1 . 2]" 1
515 1 76 HIS QB 1 77 ILE MD 7.410 . 7.910 5.328 4.199 5.749 . 0 0 "[ . 1 . 2]" 1
516 1 76 HIS QB 1 90 ASP H 4.500 . 5.000 3.253 2.789 3.678 . 0 0 "[ . 1 . 2]" 1
517 1 76 HIS QB 1 91 VAL MG1 7.270 . 7.770 4.480 4.125 5.405 . 0 0 "[ . 1 . 2]" 1
518 1 76 HIS QB 1 92 GLU H 6.070 . 6.570 4.984 4.475 5.500 . 0 0 "[ . 1 . 2]" 1
519 1 76 HIS N 1 90 ASP O 3.400 2.400 3.900 3.040 2.876 3.197 . 0 0 "[ . 1 . 2]" 1
520 1 76 HIS O 1 90 ASP H 2.400 . 2.900 2.283 1.827 2.458 . 0 0 "[ . 1 . 2]" 1
521 1 76 HIS O 1 90 ASP N 3.400 2.400 3.900 3.273 2.831 3.460 . 0 0 "[ . 1 . 2]" 1
522 1 77 ILE H 1 77 ILE HB 3.980 . 4.480 2.736 2.400 2.819 . 0 0 "[ . 1 . 2]" 1
523 1 77 ILE H 1 77 ILE MD 5.490 . 5.990 4.041 2.721 4.385 . 0 0 "[ . 1 . 2]" 1
524 1 77 ILE H 1 77 ILE HG12 4.900 . 5.400 4.004 3.093 4.674 . 0 0 "[ . 1 . 2]" 1
525 1 77 ILE H 1 77 ILE HG13 4.940 . 5.440 3.546 3.086 4.467 . 0 0 "[ . 1 . 2]" 1
526 1 77 ILE H 1 78 GLU H 5.130 . 5.630 4.403 4.303 4.517 . 0 0 "[ . 1 . 2]" 1
527 1 77 ILE HA 1 89 ALA H 5.180 . 5.680 4.909 4.728 5.228 . 0 0 "[ . 1 . 2]" 1
528 1 77 ILE HA 1 89 ALA MB 4.720 . 5.220 2.908 2.663 3.266 . 0 0 "[ . 1 . 2]" 1
529 1 77 ILE HA 1 90 ASP H 5.180 . 5.680 3.219 2.879 3.478 . 0 0 "[ . 1 . 2]" 1
530 1 77 ILE HB 1 78 GLU H 5.310 . 5.810 3.979 3.842 4.228 . 0 0 "[ . 1 . 2]" 1
531 1 77 ILE MD 1 78 GLU H 6.610 . 7.110 4.482 3.252 5.080 . 0 0 "[ . 1 . 2]" 1
532 1 77 ILE MD 1 89 ALA HA 5.810 . 6.310 4.404 2.568 5.004 . 0 0 "[ . 1 . 2]" 1
533 1 77 ILE MD 1 89 ALA MB 6.710 . 7.210 3.255 1.918 4.240 . 0 0 "[ . 1 . 2]" 1
534 1 77 ILE HG12 1 78 GLU H 5.500 . 6.000 4.390 3.782 5.116 . 0 0 "[ . 1 . 2]" 1
535 1 77 ILE HG12 1 89 ALA HA 5.450 . 5.950 4.035 3.398 5.220 . 0 0 "[ . 1 . 2]" 1
536 1 77 ILE HG13 1 89 ALA HA 5.090 . 5.590 4.654 3.527 5.425 . 0 0 "[ . 1 . 2]" 1
537 1 77 ILE MG 1 78 GLU H 5.340 . 5.840 2.226 2.009 2.597 . 0 0 "[ . 1 . 2]" 1
538 1 77 ILE MG 1 78 GLU HA 6.160 . 6.660 3.476 3.336 3.636 . 0 0 "[ . 1 . 2]" 1
539 1 77 ILE MG 1 89 ALA HA 6.090 . 6.590 3.491 3.227 4.000 . 0 0 "[ . 1 . 2]" 1
540 1 78 GLU H 1 78 GLU HB2 3.850 . 4.350 3.285 3.099 3.961 . 0 0 "[ . 1 . 2]" 1
541 1 78 GLU H 1 78 GLU HG2 4.560 . 5.060 4.526 2.514 4.999 . 0 0 "[ . 1 . 2]" 1
542 1 78 GLU H 1 79 ILE H 5.480 . 5.980 4.195 3.151 4.462 . 0 0 "[ . 1 . 2]" 1
543 1 78 GLU H 1 88 GLU O 2.400 . 2.900 1.976 1.796 2.395 0.004 18 0 "[ . 1 . 2]" 1
544 1 78 GLU H 1 89 ALA HA 4.270 . 4.770 2.784 2.418 3.061 . 0 0 "[ . 1 . 2]" 1
545 1 78 GLU H 1 89 ALA MB 4.950 . 5.450 3.853 3.492 4.098 . 0 0 "[ . 1 . 2]" 1
546 1 78 GLU H 1 90 ASP H 4.700 . 5.200 4.743 4.473 4.880 . 0 0 "[ . 1 . 2]" 1
547 1 78 GLU HA 1 78 GLU HG2 4.120 . 4.620 3.421 3.083 3.811 . 0 0 "[ . 1 . 2]" 1
548 1 78 GLU HA 1 79 ILE H 3.470 . 3.970 2.321 2.147 2.593 . 0 0 "[ . 1 . 2]" 1
549 1 78 GLU HA 1 79 ILE HB 4.730 . 5.230 4.630 4.215 4.982 . 0 0 "[ . 1 . 2]" 1
550 1 78 GLU HA 1 79 ILE HG12 5.220 . 5.720 4.158 3.267 5.487 . 0 0 "[ . 1 . 2]" 1
551 1 78 GLU HB2 1 78 GLU HG2 2.820 . 3.320 2.821 2.409 3.034 . 0 0 "[ . 1 . 2]" 1
552 1 78 GLU HB2 1 79 ILE H 4.590 . 5.090 3.969 2.428 4.557 . 0 0 "[ . 1 . 2]" 1
553 1 78 GLU HB3 1 79 ILE H 3.900 . 4.400 3.923 3.540 4.426 0.026 5 0 "[ . 1 . 2]" 1
554 1 78 GLU HB3 1 90 ASP H 5.200 . 5.700 5.352 5.215 5.576 . 0 0 "[ . 1 . 2]" 1
555 1 78 GLU HG2 1 79 ILE H 4.360 . 4.860 3.328 2.056 4.502 . 0 0 "[ . 1 . 2]" 1
556 1 78 GLU HG3 1 79 ILE H 4.160 . 4.660 2.736 1.924 4.295 . 0 0 "[ . 1 . 2]" 1
557 1 78 GLU N 1 88 GLU O 3.400 2.400 3.900 2.946 2.798 3.394 . 0 0 "[ . 1 . 2]" 1
558 1 78 GLU O 1 88 GLU H 2.400 . 2.900 2.466 1.880 2.864 . 0 0 "[ . 1 . 2]" 1
559 1 78 GLU O 1 88 GLU N 3.400 2.400 3.900 3.210 2.824 3.523 . 0 0 "[ . 1 . 2]" 1
560 1 79 ILE H 1 79 ILE HB 3.860 . 4.360 2.794 2.409 3.768 . 0 0 "[ . 1 . 2]" 1
561 1 79 ILE H 1 79 ILE HG12 4.620 . 5.120 3.040 1.893 4.261 . 0 0 "[ . 1 . 2]" 1
562 1 79 ILE H 1 79 ILE HG13 4.370 . 4.870 3.799 2.612 4.672 . 0 0 "[ . 1 . 2]" 1
563 1 79 ILE H 1 80 GLY H 5.010 . 5.510 3.845 1.813 4.676 . 0 0 "[ . 1 . 2]" 1
564 1 79 ILE HA 1 79 ILE HG12 3.890 . 4.390 2.809 2.194 3.296 . 0 0 "[ . 1 . 2]" 1
565 1 79 ILE HA 1 86 THR MG 4.010 . 4.510 2.957 1.954 3.990 . 0 0 "[ . 1 . 2]" 1
566 1 79 ILE HB 1 80 GLY H 4.750 . 5.250 3.409 2.106 3.981 . 0 0 "[ . 1 . 2]" 1
567 1 79 ILE HB 1 83 GLY HA2 5.500 . 6.000 4.504 2.633 5.787 . 0 0 "[ . 1 . 2]" 1
568 1 79 ILE HB 1 83 GLY HA3 5.030 . 5.530 4.595 2.158 5.283 . 0 0 "[ . 1 . 2]" 1
569 1 79 ILE MD 1 83 GLY HA3 5.520 . 6.020 4.085 2.109 4.729 . 0 0 "[ . 1 . 2]" 1
570 1 79 ILE MD 1 86 THR MG 4.590 . 5.090 2.907 2.023 3.457 . 0 0 "[ . 1 . 2]" 1
571 1 79 ILE MG 1 80 GLY H 4.530 . 5.030 2.355 1.723 3.386 0.077 13 0 "[ . 1 . 2]" 1
572 1 79 ILE MG 1 81 PRO HD2 6.610 . 7.110 5.093 4.111 5.486 . 0 0 "[ . 1 . 2]" 1
573 1 79 ILE MG 1 83 GLY H 4.500 . 5.000 3.101 2.713 3.838 . 0 0 "[ . 1 . 2]" 1
574 1 79 ILE MG 1 83 GLY HA2 4.910 . 5.410 2.186 1.817 3.610 . 0 0 "[ . 1 . 2]" 1
575 1 79 ILE MG 1 83 GLY HA3 4.010 . 4.510 2.469 1.846 3.486 . 0 0 "[ . 1 . 2]" 1
576 1 79 ILE MG 1 84 ARG H 4.910 . 5.410 4.158 3.135 4.490 . 0 0 "[ . 1 . 2]" 1
577 1 79 ILE MG 1 86 THR MG 4.670 . 5.170 2.746 1.781 3.510 0.019 9 0 "[ . 1 . 2]" 1
578 1 80 GLY H 1 81 PRO HD3 4.800 . 5.300 4.815 3.694 5.046 . 0 0 "[ . 1 . 2]" 1
579 1 80 GLY H 1 86 THR MG 4.950 . 5.450 2.898 2.045 4.283 . 0 0 "[ . 1 . 2]" 1
580 1 80 GLY HA2 1 81 PRO HD2 3.690 . 4.190 2.816 2.504 3.704 . 0 0 "[ . 1 . 2]" 1
581 1 80 GLY HA2 1 81 PRO HD3 3.730 . 4.230 2.627 2.297 3.962 . 0 0 "[ . 1 . 2]" 1
582 1 80 GLY HA2 1 81 PRO QG 5.040 . 5.540 4.348 4.113 5.158 . 0 0 "[ . 1 . 2]" 1
583 1 80 GLY HA2 1 82 ASP H 3.380 . 3.880 3.835 3.624 4.092 0.212 13 0 "[ . 1 . 2]" 1
584 1 80 GLY HA2 1 86 THR MG 5.840 . 6.340 4.028 1.984 5.027 . 0 0 "[ . 1 . 2]" 1
585 1 80 GLY HA3 1 81 PRO QG 4.520 . 5.020 4.036 3.839 4.138 . 0 0 "[ . 1 . 2]" 1
586 1 80 GLY HA3 1 86 THR MG 6.100 . 6.600 3.739 2.392 5.149 . 0 0 "[ . 1 . 2]" 1
587 1 81 PRO HB2 1 82 ASP H 4.620 . 5.120 4.181 4.072 4.361 . 0 0 "[ . 1 . 2]" 1
588 1 81 PRO HD2 1 82 ASP H 4.940 . 5.440 2.965 2.743 3.511 . 0 0 "[ . 1 . 2]" 1
589 1 81 PRO HD3 1 82 ASP H 4.290 . 4.790 3.965 3.847 4.267 . 0 0 "[ . 1 . 2]" 1
590 1 81 PRO QG 1 82 ASP H 4.240 . 4.740 3.294 2.977 3.802 . 0 0 "[ . 1 . 2]" 1
591 1 81 PRO QG 1 82 ASP HB2 5.390 . 5.890 4.052 3.246 4.988 . 0 0 "[ . 1 . 2]" 1
592 1 81 PRO QG 1 82 ASP HB3 4.920 . 5.420 3.841 3.232 4.654 . 0 0 "[ . 1 . 2]" 1
593 1 82 ASP H 1 82 ASP HB2 4.000 . 4.500 3.383 2.626 3.914 . 0 0 "[ . 1 . 2]" 1
594 1 82 ASP H 1 82 ASP HB3 3.890 . 4.390 3.092 2.462 3.816 . 0 0 "[ . 1 . 2]" 1
595 1 82 ASP H 1 83 GLY H 4.030 . 4.530 2.234 1.688 4.300 0.112 10 0 "[ . 1 . 2]" 1
596 1 82 ASP H 1 83 GLY HA2 5.470 . 5.970 4.126 3.670 4.650 . 0 0 "[ . 1 . 2]" 1
597 1 82 ASP H 1 84 ARG H 4.720 . 5.220 4.094 3.048 4.897 . 0 0 "[ . 1 . 2]" 1
598 1 82 ASP HA 1 83 GLY H 3.480 . 3.980 3.184 2.353 3.579 . 0 0 "[ . 1 . 2]" 1
599 1 82 ASP HA 1 84 ARG H 4.460 . 4.960 4.138 3.206 4.647 . 0 0 "[ . 1 . 2]" 1
600 1 82 ASP HB2 1 83 GLY H 4.910 . 5.410 4.086 3.285 4.550 . 0 0 "[ . 1 . 2]" 1
601 1 82 ASP HB2 1 83 GLY HA2 5.500 . 6.000 5.600 4.823 5.986 . 0 0 "[ . 1 . 2]" 1
602 1 82 ASP HB2 1 84 ARG H 5.090 . 5.590 4.385 3.077 5.560 . 0 0 "[ . 1 . 2]" 1
603 1 82 ASP HB3 1 83 GLY H 4.700 . 5.200 3.817 2.091 4.557 . 0 0 "[ . 1 . 2]" 1
604 1 83 GLY H 1 84 ARG H 3.530 . 4.030 2.742 1.854 3.219 . 0 0 "[ . 1 . 2]" 1
605 1 84 ARG H 1 84 ARG HD2 4.710 . 5.210 4.262 2.206 5.043 . 0 0 "[ . 1 . 2]" 1
606 1 84 ARG H 1 84 ARG HD3 5.000 . 5.500 4.152 2.750 5.435 . 0 0 "[ . 1 . 2]" 1
607 1 84 ARG H 1 84 ARG QG 4.100 . 4.600 3.239 2.007 4.413 . 0 0 "[ . 1 . 2]" 1
608 1 84 ARG H 1 85 VAL H 5.110 . 5.610 3.572 1.738 4.716 0.062 13 0 "[ . 1 . 2]" 1
609 1 84 ARG HA 1 84 ARG HD3 5.490 . 5.990 3.897 2.079 5.541 . 0 0 "[ . 1 . 2]" 1
610 1 84 ARG QD 2 1 DA H2 5.050 . 5.550 4.370 3.311 4.614 . 0 0 "[ . 1 . 2]" 1
611 1 84 ARG HD2 1 85 VAL H 5.500 . 6.000 4.874 3.782 5.814 . 0 0 "[ . 1 . 2]" 1
612 1 84 ARG QG 2 1 DA H2 5.050 . 5.550 3.564 2.223 4.644 . 0 0 "[ . 1 . 2]" 1
613 1 84 ARG QG 2 1 DA Q5' 5.670 . 6.170 4.471 3.842 4.736 . 0 0 "[ . 1 . 2]" 1
614 1 85 VAL H 1 86 THR H 5.180 . 5.680 2.941 1.669 4.670 0.131 8 0 "[ . 1 . 2]" 1
615 1 85 VAL HB 1 86 THR H 5.030 . 5.530 4.029 1.960 4.544 . 0 0 "[ . 1 . 2]" 1
616 1 86 THR H 1 86 THR HB 3.700 . 4.200 3.091 2.302 3.825 . 0 0 "[ . 1 . 2]" 1
617 1 86 THR MG 1 87 GLY H 5.220 . 5.720 2.951 1.635 4.135 0.165 6 0 "[ . 1 . 2]" 1
618 1 86 THR MG 1 88 GLU H 6.280 . 6.780 3.814 1.773 5.306 0.027 4 0 "[ . 1 . 2]" 1
619 1 87 GLY H 1 88 GLU H 5.060 . 5.560 2.965 1.709 4.626 0.091 12 0 "[ . 1 . 2]" 1
620 1 89 ALA H 1 90 ASP H 5.380 . 5.880 4.410 4.352 4.451 . 0 0 "[ . 1 . 2]" 1
621 1 89 ALA HA 1 90 ASP H 3.490 . 3.990 2.349 2.220 2.472 . 0 0 "[ . 1 . 2]" 1
622 1 89 ALA HA 1 90 ASP HB2 5.360 . 5.860 5.388 4.457 5.681 . 0 0 "[ . 1 . 2]" 1
623 1 89 ALA MB 1 90 ASP H 4.820 . 5.320 2.391 2.217 2.775 . 0 0 "[ . 1 . 2]" 1
624 1 89 ALA MB 1 90 ASP HB2 6.610 . 7.110 5.329 4.803 5.627 . 0 0 "[ . 1 . 2]" 1
625 1 90 ASP H 1 90 ASP HB2 4.200 . 4.700 3.752 2.809 3.998 . 0 0 "[ . 1 . 2]" 1
626 1 90 ASP HA 1 91 VAL HB 5.500 . 6.000 5.537 4.371 5.665 . 0 0 "[ . 1 . 2]" 1
627 1 90 ASP HA 1 91 VAL MG1 4.980 . 5.480 3.337 3.136 3.634 . 0 0 "[ . 1 . 2]" 1
628 1 90 ASP HA 1 91 VAL MG2 6.610 . 7.110 3.615 3.311 5.459 . 0 0 "[ . 1 . 2]" 1
629 1 90 ASP HB2 1 91 VAL MG1 6.610 . 7.110 4.760 4.524 5.358 . 0 0 "[ . 1 . 2]" 1
630 1 91 VAL H 1 92 GLU H 5.010 . 5.510 4.411 4.109 4.462 . 0 0 "[ . 1 . 2]" 1
631 1 91 VAL HB 1 92 GLU H 4.950 . 5.450 2.537 2.111 3.977 . 0 0 "[ . 1 . 2]" 1
632 1 91 VAL MG1 1 92 GLU H 5.760 . 6.260 3.714 3.578 3.961 . 0 0 "[ . 1 . 2]" 1
633 1 91 VAL MG1 1 93 PHE QE 5.810 . 6.310 4.138 2.189 4.391 . 0 0 "[ . 1 . 2]" 1
634 1 91 VAL MG2 1 92 GLU H 5.150 . 5.650 3.389 2.149 4.237 . 0 0 "[ . 1 . 2]" 1
635 1 91 VAL MG2 1 93 PHE QD 6.310 . 6.810 3.136 2.656 3.592 . 0 0 "[ . 1 . 2]" 1
636 1 91 VAL MG2 1 93 PHE QE 6.560 . 7.060 2.214 1.947 3.037 . 0 0 "[ . 1 . 2]" 1
637 1 91 VAL MG2 1 93 PHE HZ 5.310 . 5.810 2.894 2.482 3.363 . 0 0 "[ . 1 . 2]" 1
638 1 92 GLU HA 1 93 PHE QD 6.150 . 6.650 3.947 3.350 4.691 . 0 0 "[ . 1 . 2]" 1
639 1 92 GLU HB3 1 93 PHE H 4.890 . 5.390 3.618 2.287 4.519 . 0 0 "[ . 1 . 2]" 1
640 1 93 PHE H 1 93 PHE QD 4.870 . 5.370 3.105 2.312 4.024 . 0 0 "[ . 1 . 2]" 1
641 1 93 PHE HA 1 94 ALA MB 4.780 . 5.280 3.959 3.871 4.006 . 0 0 "[ . 1 . 2]" 1
642 1 93 PHE HA 1 99 ALA HA 5.300 . 5.800 5.299 5.114 5.405 . 0 0 "[ . 1 . 2]" 1
643 1 93 PHE HA 1 99 ALA MB 6.230 . 6.730 5.022 4.850 5.167 . 0 0 "[ . 1 . 2]" 1
644 1 93 PHE HB2 1 94 ALA H 4.430 . 4.930 3.977 3.585 4.162 . 0 0 "[ . 1 . 2]" 1
645 1 93 PHE HB3 1 94 ALA H 4.830 . 5.330 2.781 2.232 3.009 . 0 0 "[ . 1 . 2]" 1
646 1 93 PHE HB3 1 94 ALA MB 5.750 . 6.250 4.267 4.100 4.394 . 0 0 "[ . 1 . 2]" 1
647 1 93 PHE HB3 1 95 THR H 4.840 . 5.340 4.809 4.364 4.932 . 0 0 "[ . 1 . 2]" 1
648 1 93 PHE HB3 1 99 ALA H 4.420 . 4.920 3.190 2.945 3.325 . 0 0 "[ . 1 . 2]" 1
649 1 93 PHE HB3 1 99 ALA MB 4.680 . 5.180 3.096 2.824 3.292 . 0 0 "[ . 1 . 2]" 1
650 1 93 PHE QD 1 99 ALA MB 5.430 . 5.930 2.957 2.605 3.252 . 0 0 "[ . 1 . 2]" 1
651 1 93 PHE QE 1 102 ALA MB 5.240 . 5.740 2.346 2.090 2.566 . 0 0 "[ . 1 . 2]" 1
652 1 93 PHE HZ 1 102 ALA MB 4.860 . 5.360 2.307 2.148 2.865 . 0 0 "[ . 1 . 2]" 1
653 1 94 ALA H 1 95 THR H 4.330 . 4.830 4.276 4.163 4.349 . 0 0 "[ . 1 . 2]" 1
654 1 94 ALA H 1 95 THR MG 6.610 . 7.110 5.290 5.214 5.380 . 0 0 "[ . 1 . 2]" 1
655 1 94 ALA HA 1 95 THR MG 4.700 . 5.200 3.580 3.477 3.696 . 0 0 "[ . 1 . 2]" 1
656 1 94 ALA MB 1 95 THR H 5.190 . 5.690 3.475 3.389 3.577 . 0 0 "[ . 1 . 2]" 1
657 1 94 ALA MB 1 95 THR MG 5.080 . 5.580 3.131 3.000 3.422 . 0 0 "[ . 1 . 2]" 1
658 1 94 ALA O 1 98 GLU H 2.400 . 2.900 2.691 2.636 2.778 . 0 0 "[ . 1 . 2]" 1
659 1 94 ALA O 1 98 GLU N 3.400 2.400 3.900 3.569 3.497 3.633 . 0 0 "[ . 1 . 2]" 1
660 1 95 THR HB 1 96 HIS H 3.450 . 3.950 2.360 2.210 2.674 . 0 0 "[ . 1 . 2]" 1
661 1 95 THR HB 1 96 HIS QB 5.320 . 5.820 3.967 3.832 4.086 . 0 0 "[ . 1 . 2]" 1
662 1 95 THR HB 1 97 GLU H 3.460 . 3.960 2.728 2.628 2.853 . 0 0 "[ . 1 . 2]" 1
663 1 95 THR HB 1 97 GLU HG2 5.500 . 6.000 5.214 5.082 5.402 . 0 0 "[ . 1 . 2]" 1
664 1 95 THR HB 1 98 GLU H 4.790 . 5.290 4.407 4.227 4.598 . 0 0 "[ . 1 . 2]" 1
665 1 95 THR HB 1 99 ALA H 5.500 . 6.000 5.709 5.653 5.896 . 0 0 "[ . 1 . 2]" 1
666 1 95 THR MG 1 96 HIS H 5.240 . 5.740 3.775 3.689 3.842 . 0 0 "[ . 1 . 2]" 1
667 1 95 THR MG 1 96 HIS QB 7.120 . 7.620 5.044 4.951 5.134 . 0 0 "[ . 1 . 2]" 1
668 1 95 THR MG 1 97 GLU H 5.220 . 5.720 4.100 4.048 4.378 . 0 0 "[ . 1 . 2]" 1
669 1 95 THR MG 1 98 GLU H 6.610 . 7.110 4.594 4.371 4.916 . 0 0 "[ . 1 . 2]" 1
670 1 95 THR O 1 99 ALA H 2.400 . 2.900 2.462 2.368 2.514 . 0 0 "[ . 1 . 2]" 1
671 1 95 THR O 1 99 ALA N 3.400 2.400 3.900 3.361 3.277 3.424 . 0 0 "[ . 1 . 2]" 1
672 1 96 HIS H 1 97 GLU H 4.230 . 4.730 2.626 2.574 2.844 . 0 0 "[ . 1 . 2]" 1
673 1 96 HIS H 1 99 ALA MB 6.610 . 7.110 4.497 4.393 4.732 . 0 0 "[ . 1 . 2]" 1
674 1 96 HIS HA 1 96 HIS HD2 4.840 . 5.340 4.514 4.368 4.598 . 0 0 "[ . 1 . 2]" 1
675 1 96 HIS HA 1 99 ALA H 5.070 . 5.570 3.083 2.944 3.274 . 0 0 "[ . 1 . 2]" 1
676 1 96 HIS HA 1 99 ALA MB 5.380 . 5.880 2.149 2.024 2.338 . 0 0 "[ . 1 . 2]" 1
677 1 96 HIS HA 1 100 VAL H 4.740 . 5.240 4.030 3.940 4.117 . 0 0 "[ . 1 . 2]" 1
678 1 96 HIS HA 1 123 THR HA 4.900 . 5.400 4.823 4.561 4.984 . 0 0 "[ . 1 . 2]" 1
679 1 96 HIS QB 1 97 GLU H 4.440 . 4.940 3.099 2.985 3.188 . 0 0 "[ . 1 . 2]" 1
680 1 96 HIS QB 1 100 VAL MG1 6.250 . 6.750 4.052 3.986 4.134 . 0 0 "[ . 1 . 2]" 1
681 1 96 HIS QB 1 100 VAL MG2 7.410 . 7.910 4.597 4.491 4.695 . 0 0 "[ . 1 . 2]" 1
682 1 96 HIS QB 1 123 THR HB 4.760 . 5.260 2.883 2.010 3.590 . 0 0 "[ . 1 . 2]" 1
683 1 96 HIS QB 1 123 THR MG 5.430 . 5.930 4.050 3.457 4.301 . 0 0 "[ . 1 . 2]" 1
684 1 96 HIS HD2 1 97 GLU HA 4.790 . 5.290 4.423 4.218 4.551 . 0 0 "[ . 1 . 2]" 1
685 1 96 HIS HD2 1 97 GLU HG3 4.600 . 5.100 4.780 4.712 4.835 . 0 0 "[ . 1 . 2]" 1
686 1 96 HIS HD2 1 100 VAL MG1 4.280 . 4.780 3.049 2.728 3.281 . 0 0 "[ . 1 . 2]" 1
687 1 96 HIS HD2 1 100 VAL MG2 5.610 . 6.110 3.926 3.670 4.065 . 0 0 "[ . 1 . 2]" 1
688 1 96 HIS HD2 1 122 THR HA 4.830 . 5.330 4.604 4.192 4.976 . 0 0 "[ . 1 . 2]" 1
689 1 96 HIS HD2 1 123 THR HB 3.840 . 4.340 2.513 2.279 2.864 . 0 0 "[ . 1 . 2]" 1
690 1 96 HIS HD2 1 123 THR MG 4.760 . 5.260 3.789 3.169 4.025 . 0 0 "[ . 1 . 2]" 1
691 1 96 HIS HE1 1 100 VAL MG1 4.080 . 4.580 3.073 2.769 3.410 . 0 0 "[ . 1 . 2]" 1
692 1 96 HIS HE1 1 119 LEU MD1 3.770 . 4.270 2.315 2.144 2.536 . 0 0 "[ . 1 . 2]" 1
693 1 96 HIS HE1 1 119 LEU MD2 4.660 . 5.160 2.760 2.204 4.009 . 0 0 "[ . 1 . 2]" 1
694 1 96 HIS HE1 1 119 LEU HG 4.210 . 4.710 4.211 2.989 4.420 . 0 0 "[ . 1 . 2]" 1
695 1 96 HIS HE1 1 122 THR HA 3.410 . 3.910 3.096 2.750 3.426 . 0 0 "[ . 1 . 2]" 1
696 1 96 HIS HE1 1 123 THR MG 6.610 . 7.110 5.529 5.191 5.623 . 0 0 "[ . 1 . 2]" 1
697 1 96 HIS O 1 100 VAL H 2.400 . 2.900 1.980 1.914 2.079 . 0 0 "[ . 1 . 2]" 1
698 1 96 HIS O 1 100 VAL N 3.400 2.400 3.900 2.931 2.856 2.998 . 0 0 "[ . 1 . 2]" 1
699 1 97 GLU H 1 97 GLU HB2 3.940 . 4.440 2.361 2.331 2.382 . 0 0 "[ . 1 . 2]" 1
700 1 97 GLU H 1 97 GLU HB3 4.100 . 4.600 3.556 3.536 3.562 . 0 0 "[ . 1 . 2]" 1
701 1 97 GLU H 1 97 GLU HG2 4.050 . 4.550 3.469 3.382 3.533 . 0 0 "[ . 1 . 2]" 1
702 1 97 GLU H 1 97 GLU HG3 4.160 . 4.660 2.239 2.145 2.292 . 0 0 "[ . 1 . 2]" 1
703 1 97 GLU H 1 98 GLU H 4.210 . 4.710 2.686 2.633 2.806 . 0 0 "[ . 1 . 2]" 1
704 1 97 GLU H 1 99 ALA H 4.930 . 5.430 3.687 3.553 3.951 . 0 0 "[ . 1 . 2]" 1
705 1 97 GLU H 1 99 ALA MB 6.610 . 7.110 4.418 4.340 4.814 . 0 0 "[ . 1 . 2]" 1
706 1 97 GLU H 1 100 VAL H 5.500 . 6.000 4.747 4.677 4.835 . 0 0 "[ . 1 . 2]" 1
707 1 97 GLU H 1 100 VAL MG1 5.960 . 6.460 5.047 5.005 5.066 . 0 0 "[ . 1 . 2]" 1
708 1 97 GLU HA 1 97 GLU HG2 3.710 . 4.210 2.360 2.342 2.392 . 0 0 "[ . 1 . 2]" 1
709 1 97 GLU HA 1 97 GLU HG3 3.640 . 4.140 2.915 2.853 2.979 . 0 0 "[ . 1 . 2]" 1
710 1 97 GLU HA 1 99 ALA H 4.570 . 5.070 4.145 3.958 4.318 . 0 0 "[ . 1 . 2]" 1
711 1 97 GLU HA 1 100 VAL H 4.110 . 4.610 3.516 3.370 3.713 . 0 0 "[ . 1 . 2]" 1
712 1 97 GLU HA 1 100 VAL MG1 5.010 . 5.510 3.781 3.696 3.909 . 0 0 "[ . 1 . 2]" 1
713 1 97 GLU HA 1 100 VAL MG2 5.120 . 5.620 2.184 2.086 2.326 . 0 0 "[ . 1 . 2]" 1
714 1 97 GLU HA 1 101 ALA H 4.500 . 5.000 4.228 4.103 4.407 . 0 0 "[ . 1 . 2]" 1
715 1 97 GLU HB2 1 98 GLU H 4.200 . 4.700 2.631 2.569 2.686 . 0 0 "[ . 1 . 2]" 1
716 1 97 GLU HB3 1 98 GLU H 3.510 . 4.010 3.599 3.579 3.623 . 0 0 "[ . 1 . 2]" 1
717 1 97 GLU HG2 1 98 GLU H 4.710 . 5.210 5.007 4.963 5.041 . 0 0 "[ . 1 . 2]" 1
718 1 97 GLU HG2 1 100 VAL MG2 6.610 . 7.110 3.868 3.723 4.092 . 0 0 "[ . 1 . 2]" 1
719 1 97 GLU HG3 1 98 GLU H 5.180 . 5.680 4.399 4.323 4.454 . 0 0 "[ . 1 . 2]" 1
720 1 97 GLU O 1 101 ALA H 2.400 . 2.900 2.291 2.156 2.427 . 0 0 "[ . 1 . 2]" 1
721 1 97 GLU O 1 101 ALA N 3.400 2.400 3.900 3.126 2.977 3.229 . 0 0 "[ . 1 . 2]" 1
722 1 98 GLU H 1 98 GLU HB2 3.340 . 3.840 2.449 2.397 2.526 . 0 0 "[ . 1 . 2]" 1
723 1 98 GLU H 1 99 ALA H 4.020 . 4.520 2.513 2.462 2.583 . 0 0 "[ . 1 . 2]" 1
724 1 98 GLU H 1 100 VAL MG2 6.510 . 7.010 4.475 4.388 4.577 . 0 0 "[ . 1 . 2]" 1
725 1 98 GLU H 1 101 ALA MB 6.060 . 6.560 4.463 4.349 4.575 . 0 0 "[ . 1 . 2]" 1
726 1 98 GLU HA 1 99 ALA HA 5.320 . 5.820 4.782 4.702 4.817 . 0 0 "[ . 1 . 2]" 1
727 1 98 GLU HA 1 101 ALA H 4.120 . 4.620 3.171 3.050 3.371 . 0 0 "[ . 1 . 2]" 1
728 1 98 GLU HA 1 101 ALA MB 4.130 . 4.630 2.142 2.043 2.323 . 0 0 "[ . 1 . 2]" 1
729 1 98 GLU O 1 102 ALA H 2.400 . 2.900 2.580 2.427 2.721 . 0 0 "[ . 1 . 2]" 1
730 1 98 GLU O 1 102 ALA N 3.400 2.400 3.900 3.156 3.066 3.301 . 0 0 "[ . 1 . 2]" 1
731 1 99 ALA H 1 100 VAL H 3.830 . 4.330 2.736 2.611 2.802 . 0 0 "[ . 1 . 2]" 1
732 1 99 ALA H 1 100 VAL MG1 5.880 . 6.380 4.311 4.223 4.366 . 0 0 "[ . 1 . 2]" 1
733 1 99 ALA H 1 100 VAL MG2 5.540 . 6.040 3.934 3.836 4.001 . 0 0 "[ . 1 . 2]" 1
734 1 99 ALA H 1 101 ALA H 5.340 . 5.840 3.823 3.794 3.876 . 0 0 "[ . 1 . 2]" 1
735 1 99 ALA H 1 101 ALA MB 6.610 . 7.110 4.527 4.476 4.603 . 0 0 "[ . 1 . 2]" 1
736 1 99 ALA HA 1 102 ALA H 4.750 . 5.250 3.607 3.365 3.779 . 0 0 "[ . 1 . 2]" 1
737 1 99 ALA HA 1 102 ALA MB 4.620 . 5.120 2.960 2.473 3.344 . 0 0 "[ . 1 . 2]" 1
738 1 99 ALA MB 1 100 VAL H 4.760 . 5.260 2.565 2.384 2.784 . 0 0 "[ . 1 . 2]" 1
739 1 99 ALA MB 1 119 LEU HA 6.440 . 6.940 4.791 4.549 4.972 . 0 0 "[ . 1 . 2]" 1
740 1 99 ALA O 1 103 MET H 2.400 . 2.900 2.492 2.446 2.546 . 0 0 "[ . 1 . 2]" 1
741 1 99 ALA O 1 103 MET N 3.400 2.400 3.900 3.083 3.005 3.157 . 0 0 "[ . 1 . 2]" 1
742 1 100 VAL H 1 100 VAL HB 3.810 . 4.310 3.656 3.641 3.675 . 0 0 "[ . 1 . 2]" 1
743 1 100 VAL H 1 100 VAL MG1 4.100 . 4.600 2.242 2.118 2.372 . 0 0 "[ . 1 . 2]" 1
744 1 100 VAL H 1 100 VAL MG2 4.320 . 4.820 2.013 1.967 2.078 . 0 0 "[ . 1 . 2]" 1
745 1 100 VAL H 1 101 ALA H 4.050 . 4.550 2.498 2.380 2.602 . 0 0 "[ . 1 . 2]" 1
746 1 100 VAL H 1 101 ALA MB 6.610 . 7.110 4.193 4.085 4.285 . 0 0 "[ . 1 . 2]" 1
747 1 100 VAL H 1 103 MET HB2 5.500 . 6.000 5.039 4.785 5.479 . 0 0 "[ . 1 . 2]" 1
748 1 100 VAL H 1 119 LEU MD1 5.960 . 6.460 5.021 4.901 5.106 . 0 0 "[ . 1 . 2]" 1
749 1 100 VAL HA 1 103 MET H 4.270 . 4.770 2.709 2.625 2.838 . 0 0 "[ . 1 . 2]" 1
750 1 100 VAL HA 1 103 MET QG 5.720 . 6.220 3.663 2.209 3.925 . 0 0 "[ . 1 . 2]" 1
751 1 100 VAL HA 1 119 LEU MD1 5.730 . 6.230 4.075 3.647 4.862 . 0 0 "[ . 1 . 2]" 1
752 1 100 VAL HB 1 101 ALA H 4.230 . 4.730 4.069 3.974 4.138 . 0 0 "[ . 1 . 2]" 1
753 1 100 VAL HB 1 101 ALA HA 4.870 . 5.370 4.698 4.669 4.725 . 0 0 "[ . 1 . 2]" 1
754 1 100 VAL MG1 1 101 ALA H 4.900 . 5.400 4.039 4.006 4.086 . 0 0 "[ . 1 . 2]" 1
755 1 100 VAL MG1 1 101 ALA HA 6.610 . 7.110 5.534 5.509 5.550 . 0 0 "[ . 1 . 2]" 1
756 1 100 VAL MG1 1 102 ALA H 6.610 . 7.110 4.982 4.906 5.101 . 0 0 "[ . 1 . 2]" 1
757 1 100 VAL MG1 1 103 MET H 6.160 . 6.660 4.649 4.560 4.780 . 0 0 "[ . 1 . 2]" 1
758 1 100 VAL MG2 1 101 ALA H 4.340 . 4.840 2.475 2.359 2.591 . 0 0 "[ . 1 . 2]" 1
759 1 100 VAL MG2 1 101 ALA HA 4.760 . 5.260 3.416 3.330 3.482 . 0 0 "[ . 1 . 2]" 1
760 1 100 VAL MG2 1 103 MET H 5.510 . 6.010 4.666 4.630 4.686 . 0 0 "[ . 1 . 2]" 1
761 1 100 VAL MG2 1 103 MET HB2 6.610 . 7.110 5.260 4.637 5.553 . 0 0 "[ . 1 . 2]" 1
762 1 101 ALA H 1 102 ALA H 3.550 . 4.050 2.529 2.462 2.578 . 0 0 "[ . 1 . 2]" 1
763 1 101 ALA H 1 102 ALA MB 5.380 . 5.880 4.190 4.078 4.284 . 0 0 "[ . 1 . 2]" 1
764 1 101 ALA H 1 103 MET H 4.980 . 5.480 3.870 3.803 3.911 . 0 0 "[ . 1 . 2]" 1
765 1 101 ALA HA 1 102 ALA MB 5.970 . 6.470 4.877 4.801 4.955 . 0 0 "[ . 1 . 2]" 1
766 1 101 ALA HA 1 103 MET H 4.670 . 5.170 4.076 3.939 4.172 . 0 0 "[ . 1 . 2]" 1
767 1 101 ALA MB 1 102 ALA H 4.420 . 4.920 3.070 2.886 3.164 . 0 0 "[ . 1 . 2]" 1
768 1 101 ALA MB 1 103 MET H 5.640 . 6.140 4.542 4.432 4.612 . 0 0 "[ . 1 . 2]" 1
769 1 102 ALA H 1 103 MET H 3.650 . 4.150 2.103 1.978 2.333 . 0 0 "[ . 1 . 2]" 1
770 1 102 ALA HA 1 104 SER H 5.210 . 5.710 3.924 3.052 4.544 . 0 0 "[ . 1 . 2]" 1
771 1 102 ALA MB 1 103 MET H 4.590 . 5.090 3.106 2.796 3.288 . 0 0 "[ . 1 . 2]" 1
772 1 102 ALA MB 1 103 MET HB2 6.470 . 6.970 4.399 3.884 5.013 . 0 0 "[ . 1 . 2]" 1
773 1 102 ALA MB 1 104 SER H 5.930 . 6.430 4.328 4.099 4.665 . 0 0 "[ . 1 . 2]" 1
774 1 103 MET H 1 103 MET HB2 3.950 . 4.450 2.569 2.282 2.776 . 0 0 "[ . 1 . 2]" 1
775 1 103 MET H 1 103 MET HB3 3.910 . 4.410 2.529 2.356 3.571 . 0 0 "[ . 1 . 2]" 1
776 1 103 MET H 1 103 MET ME 5.480 . 5.980 4.179 3.755 4.524 . 0 0 "[ . 1 . 2]" 1
777 1 103 MET HA 1 117 LEU MD1 5.380 . 5.880 4.318 3.470 4.594 . 0 0 "[ . 1 . 2]" 1
778 1 103 MET HB2 1 104 SER H 4.770 . 5.270 4.613 4.396 4.700 . 0 0 "[ . 1 . 2]" 1
779 1 103 MET ME 1 104 SER H 5.570 . 6.070 3.714 2.605 4.200 . 0 0 "[ . 1 . 2]" 1
780 1 103 MET ME 1 105 LYS H 4.320 . 4.820 3.412 2.416 3.764 . 0 0 "[ . 1 . 2]" 1
781 1 103 MET ME 1 106 ASP H 5.210 . 5.710 3.720 2.625 4.271 . 0 0 "[ . 1 . 2]" 1
782 1 103 MET ME 1 106 ASP HB2 6.050 . 6.550 4.155 2.346 5.154 . 0 0 "[ . 1 . 2]" 1
783 1 103 MET ME 1 106 ASP HB3 6.100 . 6.600 4.125 2.232 5.138 . 0 0 "[ . 1 . 2]" 1
784 1 103 MET ME 1 117 LEU H 5.880 . 6.380 4.601 3.660 5.068 . 0 0 "[ . 1 . 2]" 1
785 1 103 MET ME 1 117 LEU MD1 5.860 . 6.360 2.954 1.899 3.481 . 0 0 "[ . 1 . 2]" 1
786 1 103 MET ME 1 117 LEU MD2 5.060 . 5.560 1.878 1.756 2.845 0.044 13 0 "[ . 1 . 2]" 1
787 1 103 MET ME 1 118 PHE HA 5.720 . 6.220 3.208 2.393 3.916 . 0 0 "[ . 1 . 2]" 1
788 1 103 MET ME 1 119 LEU H 4.610 . 5.110 3.241 2.721 3.866 . 0 0 "[ . 1 . 2]" 1
789 1 103 MET QG 1 105 LYS H 5.370 . 5.870 4.558 4.212 5.153 . 0 0 "[ . 1 . 2]" 1
790 1 103 MET QG 1 119 LEU MD2 7.370 . 7.870 4.527 2.780 5.310 . 0 0 "[ . 1 . 2]" 1
791 1 104 SER H 1 105 LYS H 3.920 . 4.420 2.111 1.868 3.013 . 0 0 "[ . 1 . 2]" 1
792 1 104 SER H 1 117 LEU MD1 5.560 . 6.060 4.371 3.931 4.773 . 0 0 "[ . 1 . 2]" 1
793 1 104 SER HA 1 106 ASP H 4.980 . 5.480 3.818 3.595 4.103 . 0 0 "[ . 1 . 2]" 1
794 1 105 LYS H 1 105 LYS HG2 4.010 . 4.510 3.322 3.083 4.106 . 0 0 "[ . 1 . 2]" 1
795 1 105 LYS H 1 106 ASP H 3.750 . 4.250 2.236 1.979 2.432 . 0 0 "[ . 1 . 2]" 1
796 1 105 LYS H 1 117 LEU MD1 4.860 . 5.360 3.133 2.643 3.509 . 0 0 "[ . 1 . 2]" 1
797 1 105 LYS HA 1 105 LYS HE3 4.610 . 5.110 4.316 3.010 4.752 . 0 0 "[ . 1 . 2]" 1
798 1 105 LYS HA 1 105 LYS HG2 3.910 . 4.410 2.936 2.303 3.118 . 0 0 "[ . 1 . 2]" 1
799 1 105 LYS HA 1 105 LYS HG3 3.840 . 4.340 3.684 3.097 3.796 . 0 0 "[ . 1 . 2]" 1
800 1 105 LYS HA 1 108 ALA MB 4.650 . 5.150 2.259 2.049 2.507 . 0 0 "[ . 1 . 2]" 1
801 1 105 LYS HE2 1 105 LYS HG2 4.090 . 4.590 3.303 2.494 3.732 . 0 0 "[ . 1 . 2]" 1
802 1 105 LYS HE2 1 105 LYS HG3 4.000 . 4.500 3.046 2.424 3.805 . 0 0 "[ . 1 . 2]" 1
803 1 105 LYS HE2 1 108 ALA MB 5.160 . 5.660 4.115 1.863 4.451 . 0 0 "[ . 1 . 2]" 1
804 1 105 LYS HE3 1 105 LYS HG2 4.120 . 4.620 3.222 2.384 4.260 . 0 0 "[ . 1 . 2]" 1
805 1 105 LYS HE3 1 105 LYS HG3 4.160 . 4.660 3.296 2.401 3.747 . 0 0 "[ . 1 . 2]" 1
806 1 105 LYS HE3 1 108 ALA MB 5.360 . 5.860 3.989 1.985 4.541 . 0 0 "[ . 1 . 2]" 1
807 1 105 LYS HG2 1 106 ASP H 5.010 . 5.510 4.927 4.739 5.045 . 0 0 "[ . 1 . 2]" 1
808 1 105 LYS HG3 1 108 ALA MB 4.820 . 5.320 4.026 3.892 4.118 . 0 0 "[ . 1 . 2]" 1
809 1 106 ASP H 1 106 ASP HB2 3.720 . 4.220 2.928 2.254 3.622 . 0 0 "[ . 1 . 2]" 1
810 1 106 ASP H 1 106 ASP HB3 3.620 . 4.120 2.831 2.371 3.612 . 0 0 "[ . 1 . 2]" 1
811 1 106 ASP H 1 108 ALA MB 5.260 . 5.760 4.110 3.815 4.460 . 0 0 "[ . 1 . 2]" 1
812 1 106 ASP H 1 117 LEU MD1 4.420 . 4.920 3.472 3.121 3.747 . 0 0 "[ . 1 . 2]" 1
813 1 106 ASP HA 1 107 ARG QD 5.560 . 6.060 5.232 5.069 5.335 . 0 0 "[ . 1 . 2]" 1
814 1 106 ASP HA 1 117 LEU MD2 5.400 . 5.900 3.660 2.343 4.565 . 0 0 "[ . 1 . 2]" 1
815 1 106 ASP HB2 1 117 LEU MD1 6.040 . 6.540 4.492 3.471 5.061 . 0 0 "[ . 1 . 2]" 1
816 1 106 ASP HB3 1 117 LEU MD1 5.720 . 6.220 4.460 2.510 4.902 . 0 0 "[ . 1 . 2]" 1
817 1 107 ARG H 1 107 ARG QD 5.260 . 5.760 4.119 3.804 4.328 . 0 0 "[ . 1 . 2]" 1
818 1 107 ARG H 1 107 ARG HG2 5.120 . 5.620 2.920 1.797 3.475 0.003 16 0 "[ . 1 . 2]" 1
819 1 107 ARG H 1 107 ARG HG3 5.500 . 6.000 4.059 2.854 4.531 . 0 0 "[ . 1 . 2]" 1
820 1 107 ARG H 1 108 ALA H 4.340 . 4.840 2.915 2.219 4.502 . 0 0 "[ . 1 . 2]" 1
821 1 107 ARG H 1 117 LEU MD1 6.610 . 7.110 3.279 2.491 5.279 . 0 0 "[ . 1 . 2]" 1
822 1 107 ARG HA 1 107 ARG QD 4.230 . 4.730 4.005 3.956 4.092 . 0 0 "[ . 1 . 2]" 1
823 1 107 ARG HA 1 114 TYR QD 4.860 . 5.360 3.530 2.366 4.484 . 0 0 "[ . 1 . 2]" 1
824 1 107 ARG HA 1 115 ILE H 5.500 . 6.000 4.480 3.325 5.962 . 0 0 "[ . 1 . 2]" 1
825 1 107 ARG HA 2 5 DA H2 5.500 . 6.000 5.828 5.393 6.540 0.540 20 1 "[ . 1 . +]" 1
826 1 107 ARG QB 1 108 ALA H 5.740 . 6.240 3.977 2.562 4.074 . 0 0 "[ . 1 . 2]" 1
827 1 107 ARG QB 2 5 DA H2 5.050 . 5.550 4.082 3.784 4.292 . 0 0 "[ . 1 . 2]" 1
828 1 107 ARG QB 2 5 DA H8 5.050 . 5.550 4.881 4.443 5.255 . 0 0 "[ . 1 . 2]" 1
829 1 107 ARG QD 1 114 TYR QD 5.510 . 6.010 4.383 3.521 4.642 . 0 0 "[ . 1 . 2]" 1
830 1 107 ARG QD 1 114 TYR QE 5.100 . 5.600 3.058 2.313 3.575 . 0 0 "[ . 1 . 2]" 1
831 1 107 ARG QD 2 5 DA H1' 5.050 . 5.550 3.899 3.618 4.508 . 0 0 "[ . 1 . 2]" 1
832 1 107 ARG QD 2 5 DA H2 5.050 . 5.550 3.320 2.495 4.454 . 0 0 "[ . 1 . 2]" 1
833 1 107 ARG QD 2 5 DA H8 5.050 . 5.550 4.767 4.515 5.015 . 0 0 "[ . 1 . 2]" 1
834 1 107 ARG QG 2 5 DA H2 5.050 . 5.550 4.055 3.172 4.688 . 0 0 "[ . 1 . 2]" 1
835 1 107 ARG HG2 1 114 TYR QD 6.170 . 6.670 5.320 4.269 5.705 . 0 0 "[ . 1 . 2]" 1
836 1 107 ARG HG3 1 114 TYR QD 6.170 . 6.670 4.256 2.936 4.912 . 0 0 "[ . 1 . 2]" 1
837 1 107 ARG HG3 1 114 TYR QE 5.070 . 5.570 4.021 2.891 4.776 . 0 0 "[ . 1 . 2]" 1
838 1 108 ALA H 1 109 ASN H 4.560 . 5.060 4.419 4.166 4.634 . 0 0 "[ . 1 . 2]" 1
839 1 108 ALA HA 1 109 ASN H 3.220 . 3.720 2.773 2.427 3.068 . 0 0 "[ . 1 . 2]" 1
840 1 108 ALA MB 1 109 ASN H 4.230 . 4.730 1.954 1.761 2.371 0.039 11 0 "[ . 1 . 2]" 1
841 1 108 ALA MB 1 109 ASN QB 7.040 . 7.540 3.898 3.644 4.326 . 0 0 "[ . 1 . 2]" 1
842 1 109 ASN QB 1 110 MET H 4.340 . 4.840 2.767 2.129 3.378 . 0 0 "[ . 1 . 2]" 1
843 1 110 MET HA 1 110 MET HG3 2.400 . 2.900 2.516 2.406 2.587 . 0 0 "[ . 1 . 2]" 1
844 1 110 MET HA 1 111 GLN HG2 5.170 . 5.670 4.731 4.449 5.057 . 0 0 "[ . 1 . 2]" 1
845 1 110 MET HB2 1 115 ILE MD 6.390 . 6.890 3.873 2.718 4.978 . 0 0 "[ . 1 . 2]" 1
846 1 110 MET HB2 1 115 ILE MG 6.560 . 7.060 3.428 2.898 4.764 . 0 0 "[ . 1 . 2]" 1
847 1 110 MET HB3 1 111 GLN HG2 5.210 . 5.710 2.894 2.473 3.777 . 0 0 "[ . 1 . 2]" 1
848 1 110 MET ME 1 111 GLN H 6.610 . 7.110 5.385 3.432 5.645 . 0 0 "[ . 1 . 2]" 1
849 1 110 MET HG2 1 111 GLN H 4.960 . 5.460 3.598 1.645 3.881 0.155 2 0 "[ . 1 . 2]" 1
850 1 110 MET HG2 1 115 ILE MD 6.560 . 7.060 4.715 4.041 5.067 . 0 0 "[ . 1 . 2]" 1
851 1 110 MET HG3 1 111 GLN HE22 5.500 . 6.000 5.476 5.139 5.635 . 0 0 "[ . 1 . 2]" 1
852 1 111 GLN H 1 111 GLN HG2 4.390 . 4.890 2.641 2.318 3.708 . 0 0 "[ . 1 . 2]" 1
853 1 111 GLN H 1 111 GLN HG3 4.480 . 4.980 3.354 3.016 4.470 . 0 0 "[ . 1 . 2]" 1
854 1 111 GLN HA 1 111 GLN HE22 5.040 . 5.540 5.705 5.564 5.794 0.254 12 0 "[ . 1 . 2]" 1
855 1 111 GLN HA 1 111 GLN HG2 4.190 . 4.690 3.674 3.588 3.821 . 0 0 "[ . 1 . 2]" 1
856 1 111 GLN HA 1 111 GLN HG3 3.840 . 4.340 3.849 3.716 3.908 . 0 0 "[ . 1 . 2]" 1
857 1 111 GLN HB3 1 112 HIS HB3 4.590 . 5.090 4.948 4.900 5.008 . 0 0 "[ . 1 . 2]" 1
858 1 111 GLN HG2 1 112 HIS H 4.680 . 5.180 2.968 2.505 4.763 . 0 0 "[ . 1 . 2]" 1
859 1 111 GLN HG3 1 112 HIS H 3.800 . 4.300 2.498 1.861 3.960 . 0 0 "[ . 1 . 2]" 1
860 1 111 GLN HG3 1 112 HIS HB3 3.790 . 4.290 3.059 2.178 3.834 . 0 0 "[ . 1 . 2]" 1
861 1 111 GLN HG3 1 112 HIS HD2 4.180 . 4.680 2.549 2.095 4.394 . 0 0 "[ . 1 . 2]" 1
862 1 111 GLN HG3 1 113 ARG H 4.910 . 5.410 3.813 3.104 5.352 . 0 0 "[ . 1 . 2]" 1
863 1 112 HIS H 1 113 ARG H 4.790 . 5.290 1.909 1.549 4.189 0.251 17 0 "[ . 1 . 2]" 1
864 1 112 HIS HA 1 112 HIS HD2 4.230 . 4.730 4.369 4.089 4.556 . 0 0 "[ . 1 . 2]" 1
865 1 112 HIS HB2 1 112 HIS HD2 3.870 . 4.370 3.860 3.690 3.937 . 0 0 "[ . 1 . 2]" 1
866 1 112 HIS HB2 1 113 ARG H 5.300 . 5.800 4.398 2.240 4.631 . 0 0 "[ . 1 . 2]" 1
867 1 112 HIS HB3 1 112 HIS HD2 3.310 . 3.810 2.854 2.562 3.265 . 0 0 "[ . 1 . 2]" 1
868 1 113 ARG QB 2 3 DG H1 4.490 . 4.990 3.918 2.497 4.343 . 0 0 "[ . 1 . 2]" 1
869 1 113 ARG QG 2 3 DG H1 4.490 . 4.990 3.842 2.996 4.361 . 0 0 "[ . 1 . 2]" 1
870 1 114 TYR H 2 3 DG H1 4.000 . 4.500 3.699 2.644 4.195 . 0 0 "[ . 1 . 2]" 1
871 1 114 TYR HA 1 115 ILE MD 6.610 . 7.110 4.598 3.916 5.053 . 0 0 "[ . 1 . 2]" 1
872 1 114 TYR HB2 1 115 ILE H 5.210 . 5.710 3.783 2.487 4.744 . 0 0 "[ . 1 . 2]" 1
873 1 114 TYR HB2 2 3 DG H1 4.500 . 5.000 4.589 4.027 4.807 . 0 0 "[ . 1 . 2]" 1
874 1 114 TYR HB3 2 3 DG H1 4.500 . 5.000 3.800 2.445 4.760 . 0 0 "[ . 1 . 2]" 1
875 1 114 TYR QD 1 116 GLU QG 6.240 . 6.740 4.068 2.716 4.818 . 0 0 "[ . 1 . 2]" 1
876 1 114 TYR QD 2 3 DG H1 5.050 . 5.550 3.515 3.246 3.688 . 0 0 "[ . 1 . 2]" 1
877 1 114 TYR QD 2 3 DG H8 5.050 . 5.550 4.832 4.607 5.281 . 0 0 "[ . 1 . 2]" 1
878 1 114 TYR QE 1 116 GLU QG 4.600 . 5.100 3.199 2.733 3.728 . 0 0 "[ . 1 . 2]" 1
879 1 114 TYR QE 2 3 DG H1 5.050 . 5.550 4.465 3.821 4.787 . 0 0 "[ . 1 . 2]" 1
880 1 114 TYR QE 2 3 DG H1' 5.050 . 5.550 3.778 2.997 4.409 . 0 0 "[ . 1 . 2]" 1
881 1 114 TYR QE 2 3 DG H8 5.050 . 5.550 3.944 3.329 4.582 . 0 0 "[ . 1 . 2]" 1
882 1 115 ILE H 1 115 ILE HG12 4.630 . 5.130 2.937 1.886 3.879 . 0 0 "[ . 1 . 2]" 1
883 1 115 ILE HA 2 3 DG H1 4.500 . 5.000 2.922 2.527 3.206 . 0 0 "[ . 1 . 2]" 1
884 1 115 ILE MD 2 3 DG H1 5.400 . 5.900 3.159 2.750 4.157 . 0 0 "[ . 1 . 2]" 1
885 1 115 ILE MG 1 116 GLU H 5.680 . 6.180 2.048 1.881 2.270 . 0 0 "[ . 1 . 2]" 1
886 1 115 ILE MG 1 116 GLU HA 6.610 . 7.110 3.632 3.262 4.013 . 0 0 "[ . 1 . 2]" 1
887 1 115 ILE MG 2 3 DG H1 5.400 . 5.900 4.736 4.559 4.961 . 0 0 "[ . 1 . 2]" 1
888 1 116 GLU H 1 117 LEU H 4.980 . 5.480 4.433 4.373 4.598 . 0 0 "[ . 1 . 2]" 1
889 1 116 GLU HA 1 117 LEU H 3.010 . 3.510 2.238 2.166 2.326 . 0 0 "[ . 1 . 2]" 1
890 1 116 GLU QG 2 3 DG H1 4.490 . 4.990 4.257 3.698 4.596 . 0 0 "[ . 1 . 2]" 1
891 1 117 LEU H 1 117 LEU HB3 4.190 . 4.690 3.397 3.313 3.747 . 0 0 "[ . 1 . 2]" 1
892 1 117 LEU HB2 1 118 PHE H 4.710 . 5.210 2.859 2.266 3.092 . 0 0 "[ . 1 . 2]" 1
893 1 117 LEU HB3 1 118 PHE H 5.500 . 6.000 4.039 3.583 4.148 . 0 0 "[ . 1 . 2]" 1
894 1 117 LEU MD2 1 118 PHE H 4.610 . 5.110 3.430 3.015 3.981 . 0 0 "[ . 1 . 2]" 1
895 1 118 PHE QD 2 5 DA H1' 5.050 . 5.550 4.907 4.771 5.042 . 0 0 "[ . 1 . 2]" 1
896 1 118 PHE QD 2 5 DA H2 5.050 . 5.550 4.266 3.709 4.632 . 0 0 "[ . 1 . 2]" 1
897 1 118 PHE QD 2 5 DA H8 5.050 . 5.550 4.642 4.311 4.882 . 0 0 "[ . 1 . 2]" 1
898 1 118 PHE QD 2 6 DU H1' 6.170 . 6.670 5.740 5.643 5.828 . 0 0 "[ . 1 . 2]" 1
899 1 118 PHE QD 2 6 DU H2' 4.490 . 4.990 4.188 4.104 4.301 . 0 0 "[ . 1 . 2]" 1
900 1 118 PHE QD 2 6 DU H3' 5.610 . 6.110 5.299 5.214 5.372 . 0 0 "[ . 1 . 2]" 1
901 1 118 PHE QD 2 6 DU H5 5.050 . 5.550 4.047 3.475 4.368 . 0 0 "[ . 1 . 2]" 1
902 1 118 PHE QD 2 6 DU H6 5.050 . 5.550 4.026 3.877 4.092 . 0 0 "[ . 1 . 2]" 1
903 1 118 PHE QE 1 119 LEU H 5.980 . 6.480 4.453 4.140 4.771 . 0 0 "[ . 1 . 2]" 1
904 1 118 PHE QE 2 5 DA H2 5.050 . 5.550 3.629 3.140 3.965 . 0 0 "[ . 1 . 2]" 1
905 1 118 PHE QE 2 5 DA H8 5.050 . 5.550 4.861 4.776 4.936 . 0 0 "[ . 1 . 2]" 1
906 1 118 PHE QE 2 6 DU H1' 5.610 . 6.110 3.793 3.709 3.863 . 0 0 "[ . 1 . 2]" 1
907 1 118 PHE QE 2 6 DU H2' 5.050 . 5.550 2.347 2.043 2.977 . 0 0 "[ . 1 . 2]" 1
908 1 118 PHE QE 2 6 DU H5 5.050 . 5.550 2.773 2.320 3.041 . 0 0 "[ . 1 . 2]" 1
909 1 118 PHE QE 2 6 DU Q5' 5.670 . 6.170 4.301 4.103 4.428 . 0 0 "[ . 1 . 2]" 1
910 1 118 PHE HZ 2 5 DA H2 4.500 . 5.000 4.492 4.152 4.659 . 0 0 "[ . 1 . 2]" 1
911 1 118 PHE HZ 2 6 DU H1' 4.000 . 4.500 2.556 2.330 2.896 . 0 0 "[ . 1 . 2]" 1
912 1 118 PHE HZ 2 6 DU H2' 4.500 . 5.000 2.392 2.096 2.655 . 0 0 "[ . 1 . 2]" 1
913 1 118 PHE HZ 2 6 DU H5 4.500 . 5.000 4.508 3.893 4.849 . 0 0 "[ . 1 . 2]" 1
914 1 119 LEU H 1 119 LEU HB2 4.150 . 4.650 1.994 1.966 2.077 . 0 0 "[ . 1 . 2]" 1
915 1 119 LEU H 1 119 LEU HB3 3.660 . 4.160 3.042 2.790 3.256 . 0 0 "[ . 1 . 2]" 1
916 1 119 LEU HB2 1 120 ASN H 5.000 . 5.500 4.365 4.276 4.420 . 0 0 "[ . 1 . 2]" 1
917 1 119 LEU HB3 1 120 ASN HA 5.140 . 5.640 4.272 4.079 4.501 . 0 0 "[ . 1 . 2]" 1
918 1 119 LEU MD1 1 121 SER H 6.100 . 6.600 3.517 1.816 4.040 . 0 0 "[ . 1 . 2]" 1
919 1 119 LEU MD1 1 121 SER QB 7.410 . 7.910 4.605 2.087 5.363 . 0 0 "[ . 1 . 2]" 1
920 1 119 LEU MD2 1 120 ASN H 6.050 . 6.550 1.998 1.659 3.191 0.141 15 0 "[ . 1 . 2]" 1
921 1 119 LEU MD2 1 120 ASN HB3 6.460 . 6.960 4.501 4.091 5.378 . 0 0 "[ . 1 . 2]" 1
922 1 119 LEU MD2 1 121 SER H 6.550 . 7.050 2.315 1.699 4.637 0.101 2 0 "[ . 1 . 2]" 1
923 1 119 LEU HG 1 120 ASN H 4.610 . 5.110 3.911 3.613 4.575 . 0 0 "[ . 1 . 2]" 1
924 1 119 LEU HG 1 121 SER H 5.020 . 5.520 4.630 4.450 4.795 . 0 0 "[ . 1 . 2]" 1
925 1 120 ASN H 1 120 ASN HD21 5.500 . 6.000 4.731 3.673 5.049 . 0 0 "[ . 1 . 2]" 1
926 1 120 ASN H 1 121 SER H 5.500 . 6.000 2.582 2.388 2.852 . 0 0 "[ . 1 . 2]" 1
927 1 120 ASN HB3 1 121 SER HA 5.270 . 5.770 5.193 4.825 5.356 . 0 0 "[ . 1 . 2]" 1
928 1 121 SER HA 1 122 THR H 3.490 . 3.990 2.530 2.317 3.526 . 0 0 "[ . 1 . 2]" 1
929 1 121 SER HA 1 122 THR MG 6.090 . 6.590 3.855 3.569 5.334 . 0 0 "[ . 1 . 2]" 1
930 1 122 THR H 1 122 THR MG 4.260 . 4.760 2.619 2.293 3.816 . 0 0 "[ . 1 . 2]" 1
931 1 122 THR HA 1 122 THR HB 2.850 . 3.350 2.537 2.435 3.038 . 0 0 "[ . 1 . 2]" 1
932 1 122 THR HA 1 122 THR MG 3.410 . 3.910 3.121 2.442 3.204 . 0 0 "[ . 1 . 2]" 1
933 1 122 THR HA 1 123 THR H 3.250 . 3.750 2.501 2.327 3.019 . 0 0 "[ . 1 . 2]" 1
934 1 122 THR HA 1 123 THR HB 4.960 . 5.460 4.508 4.106 4.851 . 0 0 "[ . 1 . 2]" 1
935 1 122 THR MG 1 123 THR H 4.910 . 5.410 3.140 2.197 3.512 . 0 0 "[ . 1 . 2]" 1
936 1 122 THR MG 1 123 THR MG 5.220 . 5.720 3.587 2.648 3.831 . 0 0 "[ . 1 . 2]" 1
937 1 122 THR MG 1 124 GLY H 6.570 . 7.070 2.630 1.662 5.005 0.138 5 0 "[ . 1 . 2]" 1
938 1 122 THR MG 1 124 GLY HA3 4.830 . 5.330 3.379 2.600 4.125 . 0 0 "[ . 1 . 2]" 1
939 1 123 THR H 1 123 THR HB 3.750 . 4.250 2.601 2.451 3.048 . 0 0 "[ . 1 . 2]" 1
940 1 123 THR MG 1 124 GLY H 6.340 . 6.840 3.530 2.749 4.115 . 0 0 "[ . 1 . 2]" 1
941 1 124 GLY H 1 125 ALA H 4.170 . 4.670 2.674 1.792 4.367 0.008 7 0 "[ . 1 . 2]" 1
942 1 124 GLY HA2 1 125 ALA H 3.190 . 3.690 3.060 2.697 3.365 . 0 0 "[ . 1 . 2]" 1
943 1 125 ALA HA 1 126 SER QB 4.910 . 5.410 4.256 3.788 4.632 . 0 0 "[ . 1 . 2]" 1
944 1 127 ASN QB 1 128 GLY H 5.330 . 5.830 3.378 2.362 3.859 . 0 0 "[ . 1 . 2]" 1
945 1 127 ASN QB 1 128 GLY QA 5.630 . 6.130 4.089 3.922 4.223 . 0 0 "[ . 1 . 2]" 1
946 1 128 GLY QA 1 129 ALA HA 4.480 . 4.980 4.074 3.996 4.543 . 0 0 "[ . 1 . 2]" 1
947 1 128 GLY QA 1 129 ALA MB 5.530 . 6.030 3.780 3.536 4.245 . 0 0 "[ . 1 . 2]" 1
948 1 129 ALA HA 1 130 TYR H 3.290 . 3.790 2.967 2.387 3.411 . 0 0 "[ . 1 . 2]" 1
949 1 129 ALA HA 1 130 TYR QD 5.710 . 6.210 4.254 2.612 5.220 . 0 0 "[ . 1 . 2]" 1
950 1 129 ALA MB 1 130 TYR H 4.850 . 5.350 2.946 1.901 3.703 . 0 0 "[ . 1 . 2]" 1
951 1 129 ALA MB 1 130 TYR HB2 6.610 . 7.110 4.851 3.411 5.562 . 0 0 "[ . 1 . 2]" 1
952 1 129 ALA MB 1 130 TYR HB3 6.610 . 7.110 4.427 3.523 5.423 . 0 0 "[ . 1 . 2]" 1
953 1 129 ALA MB 1 130 TYR QD 5.200 . 5.700 3.414 2.444 3.927 . 0 0 "[ . 1 . 2]" 1
954 1 129 ALA MB 1 130 TYR QE 7.410 . 7.910 4.682 3.706 5.543 . 0 0 "[ . 1 . 2]" 1
955 1 130 TYR H 1 130 TYR HB2 4.160 . 4.660 3.639 2.847 4.030 . 0 0 "[ . 1 . 2]" 1
956 1 130 TYR H 1 130 TYR HB3 3.560 . 4.060 3.279 2.529 3.480 . 0 0 "[ . 1 . 2]" 1
957 1 130 TYR H 1 130 TYR QD 5.320 . 5.820 3.096 1.864 4.428 . 0 0 "[ . 1 . 2]" 1
958 1 130 TYR HA 1 130 TYR HB3 2.910 . 3.410 2.566 2.332 2.971 . 0 0 "[ . 1 . 2]" 1
959 1 130 TYR HA 1 131 SER H 3.500 . 4.000 2.635 2.325 3.446 . 0 0 "[ . 1 . 2]" 1
960 1 130 TYR HB2 1 131 SER H 4.520 . 5.020 2.958 1.953 4.431 . 0 0 "[ . 1 . 2]" 1
961 1 130 TYR QD 1 131 SER HA 4.820 . 5.320 3.872 3.286 4.415 . 0 0 "[ . 1 . 2]" 1
962 1 131 SER H 1 131 SER HB2 3.230 . 3.730 3.002 2.404 3.414 . 0 0 "[ . 1 . 2]" 1
963 1 132 SER QB 1 133 GLN H 5.210 . 5.710 3.416 2.162 3.993 . 0 0 "[ . 1 . 2]" 1
964 1 133 GLN HA 1 133 GLN HB3 2.830 . 3.330 3.022 2.992 3.031 . 0 0 "[ . 1 . 2]" 1
965 1 133 GLN HA 1 133 GLN HE21 4.720 . 5.220 3.896 2.954 4.568 . 0 0 "[ . 1 . 2]" 1
966 1 133 GLN HA 1 133 GLN HE22 4.900 . 5.400 4.142 3.449 5.053 . 0 0 "[ . 1 . 2]" 1
967 1 133 GLN HA 1 133 GLN QG 3.060 . 3.560 2.735 2.170 2.956 . 0 0 "[ . 1 . 2]" 1
968 1 133 GLN HA 1 134 VAL H 2.950 . 3.450 2.566 2.241 3.160 . 0 0 "[ . 1 . 2]" 1
969 1 133 GLN HB2 1 133 GLN HE22 5.010 . 5.510 3.866 3.602 4.675 . 0 0 "[ . 1 . 2]" 1
970 1 133 GLN HB2 1 134 VAL MG1 6.610 . 7.110 5.251 4.644 5.641 . 0 0 "[ . 1 . 2]" 1
971 1 133 GLN HB3 1 133 GLN HE22 4.980 . 5.480 5.039 4.631 5.376 . 0 0 "[ . 1 . 2]" 1
972 1 133 GLN QG 1 134 VAL H 5.020 . 5.520 2.709 1.565 4.590 0.235 11 0 "[ . 1 . 2]" 1
973 1 133 GLN QG 1 134 VAL HA 5.470 . 5.970 4.160 3.361 4.838 . 0 0 "[ . 1 . 2]" 1
974 1 133 GLN QG 1 134 VAL MG1 7.020 . 7.520 3.935 2.402 5.307 . 0 0 "[ . 1 . 2]" 1
975 1 133 GLN QG 1 135 MET H 4.390 . 4.890 2.753 1.831 4.162 . 0 0 "[ . 1 . 2]" 1
976 1 134 VAL CB 1 135 MET H 6.390 . 6.890 3.760 3.499 3.976 . 0 0 "[ . 1 . 2]" 1
977 1 134 VAL CB 1 135 MET HG3 7.090 . 7.590 6.303 3.908 7.316 . 0 0 "[ . 1 . 2]" 1
978 1 134 VAL H 1 134 VAL MG1 4.020 . 4.520 2.325 1.831 3.379 . 0 0 "[ . 1 . 2]" 1
979 1 134 VAL H 1 135 MET H 4.110 . 4.610 2.553 1.750 4.146 0.050 18 0 "[ . 1 . 2]" 1
980 1 134 VAL HA 1 134 VAL HB 2.810 . 3.310 2.476 2.413 2.522 . 0 0 "[ . 1 . 2]" 1
981 1 134 VAL HA 1 134 VAL MG2 3.510 . 4.010 2.680 2.260 3.212 . 0 0 "[ . 1 . 2]" 1
982 1 134 VAL HA 1 135 MET H 2.810 . 3.310 3.081 2.122 3.328 0.018 19 0 "[ . 1 . 2]" 1
983 1 134 VAL HA 1 135 MET HB2 5.500 . 6.000 5.231 4.505 5.619 . 0 0 "[ . 1 . 2]" 1
984 1 134 VAL MG1 1 135 MET H 4.790 . 5.290 3.635 2.771 4.241 . 0 0 "[ . 1 . 2]" 1
985 1 135 MET H 1 135 MET HB2 3.820 . 4.320 2.871 2.315 3.922 . 0 0 "[ . 1 . 2]" 1
986 1 135 MET H 1 135 MET HB3 3.180 . 3.680 3.030 2.493 3.853 0.173 18 0 "[ . 1 . 2]" 1
987 1 135 MET H 1 135 MET HG2 5.380 . 5.880 4.237 2.411 5.064 . 0 0 "[ . 1 . 2]" 1
988 1 135 MET H 1 135 MET HG3 4.430 . 4.930 3.961 2.202 4.697 . 0 0 "[ . 1 . 2]" 1
989 1 135 MET HA 1 135 MET HG2 3.680 . 4.180 3.000 2.426 3.744 . 0 0 "[ . 1 . 2]" 1
990 1 135 MET HA 1 135 MET HG3 3.320 . 3.820 2.673 2.280 3.653 . 0 0 "[ . 1 . 2]" 1
991 1 135 MET HB3 1 135 MET HG2 2.750 . 3.250 2.458 2.435 2.494 . 0 0 "[ . 1 . 2]" 1
992 2 1 DA H1' 2 1 DA H2 5.500 . 6.000 6.003 5.648 6.092 0.092 2 0 "[ . 1 . 2]" 1
993 2 1 DA H1' 2 1 DA H2' 4.000 . 4.500 3.035 2.924 3.060 . 0 0 "[ . 1 . 2]" 1
994 2 1 DA H1' 2 1 DA H3' 4.000 . 4.500 3.805 3.711 4.069 . 0 0 "[ . 1 . 2]" 1
995 2 1 DA H1' 2 1 DA H4' 4.000 . 4.500 2.735 2.373 3.828 . 0 0 "[ . 1 . 2]" 1
996 2 1 DA H1' 2 1 DA Q5' 6.170 . 6.670 3.987 3.717 4.132 . 0 0 "[ . 1 . 2]" 1
997 2 1 DA H1' 2 1 DA H8 2.500 . 3.000 2.602 2.524 2.897 . 0 0 "[ . 1 . 2]" 1
998 2 1 DA H1' 2 2 DG H1' 4.500 . 5.000 4.891 4.487 5.277 0.277 3 0 "[ . 1 . 2]" 1
999 2 1 DA H1' 2 2 DG Q5' 6.170 . 6.670 3.572 2.332 5.367 . 0 0 "[ . 1 . 2]" 1
1000 2 1 DA H1' 2 2 DG H8 5.000 . 5.500 2.539 2.086 3.698 . 0 0 "[ . 1 . 2]" 1
1001 2 1 DA H2' 2 1 DA H8 5.000 . 5.500 3.976 2.520 4.522 . 0 0 "[ . 1 . 2]" 1
1002 2 1 DA H3' 2 1 DA H4' 4.000 . 4.500 2.918 2.682 3.038 . 0 0 "[ . 1 . 2]" 1
1003 2 1 DA H4' 2 1 DA Q5' 4.490 . 4.990 2.349 2.168 2.513 . 0 0 "[ . 1 . 2]" 1
1004 2 1 DA H4' 2 1 DA H8 5.000 . 5.500 5.223 4.909 5.726 0.226 5 0 "[ . 1 . 2]" 1
1005 2 1 DA H4' 2 2 DG H8 5.500 . 6.000 4.296 3.455 5.785 . 0 0 "[ . 1 . 2]" 1
1006 2 1 DA Q5' 2 1 DA H8 6.170 . 6.670 5.774 3.939 6.098 . 0 0 "[ . 1 . 2]" 1
1007 2 1 DA Q5' 2 2 DG H8 6.170 . 6.670 5.615 5.287 5.768 . 0 0 "[ . 1 . 2]" 1
1008 2 2 DG H1 2 4 DG H1 5.500 . 6.000 5.764 5.438 5.953 . 0 0 "[ . 1 . 2]" 1
1009 2 2 DG H1' 2 2 DG H2' 4.000 . 4.500 3.028 2.965 3.054 . 0 0 "[ . 1 . 2]" 1
1010 2 2 DG H1' 2 2 DG H3' 4.500 . 5.000 3.786 3.716 3.831 . 0 0 "[ . 1 . 2]" 1
1011 2 2 DG H1' 2 2 DG H4' 4.000 . 4.500 2.812 2.381 3.420 . 0 0 "[ . 1 . 2]" 1
1012 2 2 DG H1' 2 2 DG Q5' 5.610 . 6.110 4.071 3.936 4.168 . 0 0 "[ . 1 . 2]" 1
1013 2 2 DG H1' 2 2 DG H8 4.000 . 4.500 3.849 3.654 3.905 . 0 0 "[ . 1 . 2]" 1
1014 2 2 DG H1' 2 3 DG H2' 5.500 . 6.000 5.871 5.523 6.335 0.335 4 0 "[ . 1 . 2]" 1
1015 2 2 DG H1' 2 3 DG H4' 5.000 . 5.500 5.232 4.930 5.687 0.187 16 0 "[ . 1 . 2]" 1
1016 2 2 DG H1' 2 3 DG Q5' 4.490 . 4.990 3.414 2.635 4.027 . 0 0 "[ . 1 . 2]" 1
1017 2 2 DG H2' 2 2 DG H8 4.000 . 4.500 2.188 1.923 2.997 . 0 0 "[ . 1 . 2]" 1
1018 2 2 DG H2' 2 3 DG H8 5.000 . 5.500 4.880 4.503 5.173 . 0 0 "[ . 1 . 2]" 1
1019 2 2 DG H3' 2 2 DG H4' 4.000 . 4.500 2.908 2.749 3.034 . 0 0 "[ . 1 . 2]" 1
1020 2 2 DG H3' 2 2 DG Q5' 5.050 . 5.550 2.279 1.994 2.705 . 0 0 "[ . 1 . 2]" 1
1021 2 2 DG H3' 2 2 DG H8 4.000 . 4.500 4.082 3.430 4.319 . 0 0 "[ . 1 . 2]" 1
1022 2 2 DG H3' 2 3 DG H8 5.000 . 5.500 4.532 3.830 5.178 . 0 0 "[ . 1 . 2]" 1
1023 2 2 DG H4' 2 2 DG Q5' 4.490 . 4.990 2.349 2.124 2.462 . 0 0 "[ . 1 . 2]" 1
1024 2 2 DG H4' 2 2 DG H8 5.000 . 5.500 5.031 4.740 5.321 . 0 0 "[ . 1 . 2]" 1
1025 2 2 DG H4' 2 3 DG H8 5.500 . 6.000 4.959 4.131 5.605 . 0 0 "[ . 1 . 2]" 1
1026 2 2 DG Q5' 2 2 DG H8 5.610 . 6.110 3.971 2.621 5.195 . 0 0 "[ . 1 . 2]" 1
1027 2 2 DG Q5' 2 3 DG H8 6.170 . 6.670 5.678 5.377 5.903 . 0 0 "[ . 1 . 2]" 1
1028 2 3 DG H1' 2 3 DG H2' 4.000 . 4.500 2.931 2.838 2.965 . 0 0 "[ . 1 . 2]" 1
1029 2 3 DG H1' 2 3 DG H4' 4.500 . 5.000 2.963 2.613 3.821 . 0 0 "[ . 1 . 2]" 1
1030 2 3 DG H1' 2 3 DG Q5' 6.170 . 6.670 4.061 3.732 4.306 . 0 0 "[ . 1 . 2]" 1
1031 2 3 DG H1' 2 3 DG H8 4.000 . 4.500 3.884 3.836 3.913 . 0 0 "[ . 1 . 2]" 1
1032 2 3 DG H1' 2 4 DG H2' 5.000 . 5.500 3.292 2.010 3.753 . 0 0 "[ . 1 . 2]" 1
1033 2 3 DG H1' 2 4 DG H3' 5.500 . 6.000 4.955 3.540 5.374 . 0 0 "[ . 1 . 2]" 1
1034 2 3 DG H1' 2 4 DG H4' 5.500 . 6.000 5.949 5.618 6.120 0.120 9 0 "[ . 1 . 2]" 1
1035 2 3 DG H2' 2 3 DG H3' 4.000 . 4.500 2.202 2.174 2.257 . 0 0 "[ . 1 . 2]" 1
1036 2 3 DG H2' 2 3 DG H4' 5.000 . 5.500 3.889 3.800 4.069 . 0 0 "[ . 1 . 2]" 1
1037 2 3 DG H2' 2 3 DG Q5' 6.170 . 6.670 4.190 3.206 4.486 . 0 0 "[ . 1 . 2]" 1
1038 2 3 DG H2' 2 3 DG H8 3.000 . 3.500 2.344 1.936 2.910 . 0 0 "[ . 1 . 2]" 1
1039 2 3 DG H2' 2 4 DG H2' 5.000 . 5.500 4.381 4.129 4.531 . 0 0 "[ . 1 . 2]" 1
1040 2 3 DG H2' 2 4 DG H3' 5.500 . 6.000 5.131 4.867 5.407 . 0 0 "[ . 1 . 2]" 1
1041 2 3 DG H2' 2 4 DG H8 5.500 . 6.000 4.678 4.420 5.380 . 0 0 "[ . 1 . 2]" 1
1042 2 3 DG H3' 2 3 DG H4' 4.000 . 4.500 2.956 2.742 3.032 . 0 0 "[ . 1 . 2]" 1
1043 2 3 DG H3' 2 3 DG Q5' 5.050 . 5.550 2.885 2.463 3.009 . 0 0 "[ . 1 . 2]" 1
1044 2 3 DG H3' 2 3 DG H8 3.000 . 3.500 3.366 3.086 3.767 0.267 20 0 "[ . 1 . 2]" 1
1045 2 3 DG H3' 2 4 DG H2' 4.500 . 5.000 4.602 4.364 4.790 . 0 0 "[ . 1 . 2]" 1
1046 2 3 DG H3' 2 4 DG H3' 4.500 . 5.000 4.516 4.333 4.682 . 0 0 "[ . 1 . 2]" 1
1047 2 3 DG H3' 2 4 DG H8 5.000 . 5.500 5.510 5.362 5.991 0.491 5 0 "[ . 1 . 2]" 1
1048 2 3 DG H4' 2 3 DG Q5' 5.050 . 5.550 2.157 2.091 2.236 . 0 0 "[ . 1 . 2]" 1
1049 2 3 DG H4' 2 3 DG H8 5.000 . 5.500 4.813 4.461 5.076 . 0 0 "[ . 1 . 2]" 1
1050 2 3 DG H4' 2 4 DG H1' 5.500 . 6.000 4.101 3.868 4.307 . 0 0 "[ . 1 . 2]" 1
1051 2 3 DG H4' 2 4 DG H2' 5.500 . 6.000 3.628 3.170 3.953 . 0 0 "[ . 1 . 2]" 1
1052 2 3 DG H4' 2 4 DG H3' 5.500 . 6.000 4.082 3.677 4.441 . 0 0 "[ . 1 . 2]" 1
1053 2 3 DG H4' 2 4 DG H4' 4.500 . 5.000 4.337 4.029 4.680 . 0 0 "[ . 1 . 2]" 1
1054 2 3 DG H4' 2 4 DG H8 5.500 . 6.000 4.194 3.649 4.912 . 0 0 "[ . 1 . 2]" 1
1055 2 3 DG Q5' 2 3 DG H8 6.170 . 6.670 4.115 2.040 4.782 . 0 0 "[ . 1 . 2]" 1
1056 2 3 DG Q5' 2 4 DG H1' 6.170 . 6.670 5.436 5.162 5.762 . 0 0 "[ . 1 . 2]" 1
1057 2 3 DG Q5' 2 4 DG H2' 6.170 . 6.670 5.113 4.541 5.491 . 0 0 "[ . 1 . 2]" 1
1058 2 3 DG Q5' 2 4 DG H3' 6.170 . 6.670 5.073 4.600 5.547 . 0 0 "[ . 1 . 2]" 1
1059 2 3 DG Q5' 2 4 DG H4' 6.170 . 6.670 5.228 4.511 5.897 . 0 0 "[ . 1 . 2]" 1
1060 2 3 DG Q5' 2 4 DG H8 6.170 . 6.670 5.601 4.855 5.862 . 0 0 "[ . 1 . 2]" 1
1061 2 4 DG H1' 2 4 DG H2' 4.000 . 4.500 3.005 2.982 3.015 . 0 0 "[ . 1 . 2]" 1
1062 2 4 DG H1' 2 4 DG H3' 5.000 . 5.500 3.798 3.744 3.840 . 0 0 "[ . 1 . 2]" 1
1063 2 4 DG H1' 2 4 DG H4' 4.500 . 5.000 2.261 2.143 2.387 . 0 0 "[ . 1 . 2]" 1
1064 2 4 DG H1' 2 4 DG Q5' 6.170 . 6.670 3.895 3.781 3.989 . 0 0 "[ . 1 . 2]" 1
1065 2 4 DG H1' 2 4 DG H8 3.000 . 3.500 3.409 3.271 3.477 . 0 0 "[ . 1 . 2]" 1
1066 2 4 DG H1' 2 5 DA H8 5.500 . 6.000 4.325 4.064 4.882 . 0 0 "[ . 1 . 2]" 1
1067 2 4 DG H1' 2 6 DU H5 5.500 . 6.000 5.613 5.116 5.941 . 0 0 "[ . 1 . 2]" 1
1068 2 4 DG H2' 2 4 DG H3' 4.000 . 4.500 2.264 2.236 2.309 . 0 0 "[ . 1 . 2]" 1
1069 2 4 DG H2' 2 4 DG H4' 4.500 . 5.000 3.702 3.682 3.742 . 0 0 "[ . 1 . 2]" 1
1070 2 4 DG H2' 2 4 DG Q5' 5.610 . 6.110 4.310 4.172 4.398 . 0 0 "[ . 1 . 2]" 1
1071 2 4 DG H2' 2 4 DG H8 4.500 . 5.000 2.025 1.897 2.281 . 0 0 "[ . 1 . 2]" 1
1072 2 4 DG H2' 2 5 DA H4' 5.000 . 5.500 4.976 4.632 5.081 . 0 0 "[ . 1 . 2]" 1
1073 2 4 DG H2' 2 5 DA Q5' 6.170 . 6.670 2.291 2.029 2.509 . 0 0 "[ . 1 . 2]" 1
1074 2 4 DG H2' 2 5 DA H8 5.500 . 6.000 3.332 2.936 3.891 . 0 0 "[ . 1 . 2]" 1
1075 2 4 DG H2' 2 6 DU H5 5.500 . 6.000 5.361 5.032 5.572 . 0 0 "[ . 1 . 2]" 1
1076 2 4 DG H3' 2 4 DG H4' 4.500 . 5.000 2.986 2.947 3.009 . 0 0 "[ . 1 . 2]" 1
1077 2 4 DG H3' 2 4 DG Q5' 5.610 . 6.110 2.819 2.545 3.042 . 0 0 "[ . 1 . 2]" 1
1078 2 4 DG H3' 2 4 DG H8 5.000 . 5.500 4.268 4.086 4.546 . 0 0 "[ . 1 . 2]" 1
1079 2 4 DG H3' 2 5 DA H4' 5.500 . 6.000 5.031 4.484 5.530 . 0 0 "[ . 1 . 2]" 1
1080 2 4 DG H3' 2 5 DA Q5' 6.170 . 6.670 2.299 1.945 2.708 . 0 0 "[ . 1 . 2]" 1
1081 2 4 DG H3' 2 5 DA H8 5.500 . 6.000 5.234 4.911 5.648 . 0 0 "[ . 1 . 2]" 1
1082 2 4 DG H4' 2 4 DG Q5' 4.490 . 4.990 2.159 2.126 2.176 . 0 0 "[ . 1 . 2]" 1
1083 2 4 DG H4' 2 4 DG H8 5.000 . 5.500 5.026 4.907 5.110 . 0 0 "[ . 1 . 2]" 1
1084 2 4 DG H4' 2 5 DA H8 5.500 . 6.000 5.931 5.678 6.509 0.509 16 1 "[ . 1 .+ 2]" 1
1085 2 4 DG Q5' 2 4 DG H8 6.170 . 6.670 5.760 5.610 5.904 . 0 0 "[ . 1 . 2]" 1
1086 2 4 DG H8 2 5 DA H2' 5.500 . 6.000 4.542 4.030 5.555 . 0 0 "[ . 1 . 2]" 1
1087 2 4 DG H8 2 5 DA H3' 5.500 . 6.000 4.546 4.081 5.246 . 0 0 "[ . 1 . 2]" 1
1088 2 4 DG H8 2 5 DA H4' 5.500 . 6.000 5.865 5.691 6.110 0.110 13 0 "[ . 1 . 2]" 1
1089 2 4 DG H8 2 5 DA H8 5.500 . 6.000 2.346 2.002 3.041 . 0 0 "[ . 1 . 2]" 1
1090 2 4 DG H8 2 6 DU H5 5.500 . 6.000 5.561 5.296 5.731 . 0 0 "[ . 1 . 2]" 1
1091 2 5 DA H1' 2 5 DA H2' 4.000 . 4.500 2.998 2.979 3.014 . 0 0 "[ . 1 . 2]" 1
1092 2 5 DA H1' 2 5 DA H3' 4.000 . 4.500 3.790 3.750 3.817 . 0 0 "[ . 1 . 2]" 1
1093 2 5 DA H1' 2 5 DA H4' 4.000 . 4.500 2.488 2.371 2.601 . 0 0 "[ . 1 . 2]" 1
1094 2 5 DA H1' 2 5 DA Q5' 5.610 . 6.110 4.099 4.071 4.142 . 0 0 "[ . 1 . 2]" 1
1095 2 5 DA H1' 2 5 DA H8 4.000 . 4.500 3.754 3.683 3.799 . 0 0 "[ . 1 . 2]" 1
1096 2 5 DA H1' 2 6 DU H1' 5.000 . 5.500 5.078 5.031 5.151 . 0 0 "[ . 1 . 2]" 1
1097 2 5 DA H1' 2 6 DU H2' 5.500 . 6.000 3.533 3.444 3.643 . 0 0 "[ . 1 . 2]" 1
1098 2 5 DA H1' 2 6 DU H3' 5.000 . 5.500 1.989 1.887 2.137 . 0 0 "[ . 1 . 2]" 1
1099 2 5 DA H1' 2 6 DU H5 5.500 . 6.000 2.576 2.368 2.735 . 0 0 "[ . 1 . 2]" 1
1100 2 5 DA H1' 2 6 DU H6 5.500 . 6.000 1.856 1.782 1.893 0.018 16 0 "[ . 1 . 2]" 1
1101 2 5 DA H2 2 6 DU H1' 5.000 . 5.500 5.177 5.062 5.323 . 0 0 "[ . 1 . 2]" 1
1102 2 5 DA H2 2 6 DU H2' 5.500 . 6.000 2.683 2.609 2.784 . 0 0 "[ . 1 . 2]" 1
1103 2 5 DA H2 2 6 DU H5 5.500 . 6.000 5.812 5.736 5.880 . 0 0 "[ . 1 . 2]" 1
1104 2 5 DA H2 2 6 DU H6 5.500 . 6.000 3.883 3.788 3.969 . 0 0 "[ . 1 . 2]" 1
1105 2 5 DA H2' 2 5 DA H4' 4.000 . 4.500 3.829 3.782 3.869 . 0 0 "[ . 1 . 2]" 1
1106 2 5 DA H2' 2 5 DA Q5' 4.490 . 4.990 3.851 3.675 3.984 . 0 0 "[ . 1 . 2]" 1
1107 2 5 DA H2' 2 5 DA H8 4.000 . 4.500 3.333 3.148 3.527 . 0 0 "[ . 1 . 2]" 1
1108 2 5 DA H3' 2 5 DA H4' 4.000 . 4.500 3.012 2.993 3.020 . 0 0 "[ . 1 . 2]" 1
1109 2 5 DA H3' 2 5 DA Q5' 4.490 . 4.990 2.260 2.085 2.352 . 0 0 "[ . 1 . 2]" 1
1110 2 5 DA H3' 2 5 DA H8 4.000 . 4.500 4.120 3.834 4.283 . 0 0 "[ . 1 . 2]" 1
1111 2 5 DA H4' 2 5 DA Q5' 4.490 . 4.990 2.453 2.397 2.547 . 0 0 "[ . 1 . 2]" 1
1112 2 5 DA H4' 2 5 DA H8 5.000 . 5.500 4.680 4.579 4.820 . 0 0 "[ . 1 . 2]" 1
1113 2 5 DA H4' 2 6 DU H5 5.500 . 6.000 3.416 3.081 3.876 . 0 0 "[ . 1 . 2]" 1
1114 2 5 DA H4' 2 6 DU H6 5.500 . 6.000 3.810 3.439 4.172 . 0 0 "[ . 1 . 2]" 1
1115 2 5 DA Q5' 2 5 DA H8 5.610 . 6.110 3.836 3.608 4.165 . 0 0 "[ . 1 . 2]" 1
1116 2 5 DA H8 2 6 DU H3' 5.500 . 6.000 5.439 5.315 5.515 . 0 0 "[ . 1 . 2]" 1
1117 2 5 DA H8 2 6 DU H5 5.500 . 6.000 3.694 3.319 4.076 . 0 0 "[ . 1 . 2]" 1
1118 2 5 DA H8 2 6 DU H6 5.500 . 6.000 4.775 4.574 5.013 . 0 0 "[ . 1 . 2]" 1
1119 2 6 DU H1' 2 6 DU H2' 4.000 . 4.500 2.673 2.662 2.686 . 0 0 "[ . 1 . 2]" 1
1120 2 6 DU H1' 2 6 DU H3' 4.000 . 4.500 3.948 3.910 3.990 . 0 0 "[ . 1 . 2]" 1
1121 2 6 DU H1' 2 6 DU H4' 5.500 . 6.000 3.915 3.835 3.968 . 0 0 "[ . 1 . 2]" 1
1122 2 6 DU H1' 2 6 DU H5 5.500 . 6.000 5.282 5.259 5.299 . 0 0 "[ . 1 . 2]" 1
1123 2 6 DU H1' 2 6 DU H6 4.000 . 4.500 3.539 3.508 3.571 . 0 0 "[ . 1 . 2]" 1
1124 2 6 DU H2' 2 6 DU H5 5.000 . 5.500 4.237 4.173 4.277 . 0 0 "[ . 1 . 2]" 1
1125 2 6 DU H2' 2 6 DU H6 3.500 . 4.000 2.017 1.958 2.070 . 0 0 "[ . 1 . 2]" 1
1126 2 6 DU H3' 2 6 DU H5 5.000 . 5.500 4.013 3.947 4.084 . 0 0 "[ . 1 . 2]" 1
1127 2 6 DU H3' 2 6 DU H6 3.500 . 4.000 1.950 1.878 2.086 . 0 0 "[ . 1 . 2]" 1
1128 2 6 DU H4' 2 6 DU H5 5.500 . 6.000 6.146 6.065 6.260 0.260 6 0 "[ . 1 . 2]" 1
1129 2 6 DU H4' 2 6 DU H6 5.000 . 5.500 4.249 4.187 4.307 . 0 0 "[ . 1 . 2]" 1
1130 2 6 DU H5 2 6 DU Q5' 5.050 . 5.550 3.424 3.267 3.671 . 0 0 "[ . 1 . 2]" 1
1131 2 6 DU H5 2 6 DU H6 3.000 . 3.500 2.369 2.356 2.390 . 0 0 "[ . 1 . 2]" 1
1132 2 6 DU Q5' 2 6 DU H6 5.050 . 5.550 2.506 2.345 2.636 . 0 0 "[ . 1 . 2]" 1
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