NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572649 |
2ru6   |
11547 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru6
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 1170
_Distance_constraint_stats_list.Viol_count 2229
_Distance_constraint_stats_list.Viol_total 8139.364
_Distance_constraint_stats_list.Viol_max 1.953
_Distance_constraint_stats_list.Viol_rms 0.0895
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1826
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 6.542 1.243 10 2 "[ . + *. 2]"
1 2 GLN 8.885 0.653 14 4 "[ . * - +. * 2]"
1 3 ILE 9.931 0.590 10 1 "[ . + . 2]"
1 4 PHE 17.666 0.755 13 3 "[ . * 1 + . - 2]"
1 5 VAL 19.631 0.628 2 2 "[ + . -1 . 2]"
1 6 LYS 52.678 1.953 7 20 [******+********-****]
1 7 THR 4.401 0.394 8 0 "[ . 1 . 2]"
1 8 LEU 1.919 0.265 2 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 10.993 1.890 8 5 "[** . + 1 .- *]"
1 11 LYS 2.226 0.580 16 1 "[ . 1 .+ 2]"
1 12 THR 0.243 0.224 10 0 "[ . 1 . 2]"
1 13 ILE 8.463 0.983 20 3 "[ . 1* -. +]"
1 14 THR 8.858 1.041 11 8 "[ *. *+* *. **-]"
1 15 LEU 13.811 0.791 15 3 "[ . 1 * -+ 2]"
1 16 GLU 2.991 0.439 8 0 "[ . 1 . 2]"
1 17 VAL 35.445 1.243 10 20 [*********+****-*****]
1 18 GLU 0.377 0.125 17 0 "[ . 1 . 2]"
1 19 PRO 1.754 0.225 11 0 "[ . 1 . 2]"
1 20 SER 3.750 0.433 1 0 "[ . 1 . 2]"
1 21 ASP 1.291 0.275 6 0 "[ . 1 . 2]"
1 22 THR 1.777 0.547 7 1 "[ . + 1 . 2]"
1 23 ILE 5.777 0.544 11 1 "[ . 1+ . 2]"
1 24 GLU 7.549 0.831 16 7 "[ ** * * .+ -*]"
1 25 ASN 5.833 0.831 16 2 "[ . - .+ 2]"
1 26 VAL 7.096 0.432 8 0 "[ . 1 . 2]"
1 27 LYS 24.334 1.350 19 12 "[ * *-* 1 ** ****+*]"
1 28 ALA 23.270 1.128 11 20 [**********+**-******]
1 29 LYS 14.593 0.825 2 12 "[*+* .** 1*** -** *]"
1 30 ILE 28.499 0.617 16 6 "[ .- *1 * .+ * *]"
1 31 GLN 11.305 0.531 14 1 "[ . 1 +. 2]"
1 32 ASP 12.965 0.942 1 11 "[+-* .*** * * .*** 2]"
1 33 LYS 27.627 1.041 11 17 "[*-**.*** *+* *******]"
1 34 GLU 17.465 0.839 16 8 "[ * .** 1 * *+ *-]"
1 35 GLY 0.561 0.199 6 0 "[ . 1 . 2]"
1 36 ILE 12.152 0.839 16 8 "[ * .** 1 * *+ *-]"
1 37 PRO 0.333 0.054 11 0 "[ . 1 . 2]"
1 38 PRO 1.466 0.086 12 0 "[ . 1 . 2]"
1 39 ASP 0.935 0.145 20 0 "[ . 1 . 2]"
1 40 GLN 3.625 0.364 15 0 "[ . 1 . 2]"
1 41 ASN 2.489 0.399 13 0 "[ . 1 . 2]"
1 42 ARG 30.475 1.257 2 12 "[ +**** * *-* ** * 2]"
1 43 LEU 16.462 0.979 4 9 "[ **+** ** - * 2]"
1 44 ILE 14.821 0.425 15 0 "[ . 1 . 2]"
1 45 PHE 14.036 0.585 11 3 "[ .* 1+ -. 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 1.396 0.256 5 0 "[ . 1 . 2]"
1 48 LYS 14.390 0.947 13 6 "[* *. *1 + . * -]"
1 49 GLN 3.438 0.354 10 0 "[ . 1 . 2]"
1 50 LEU 21.596 0.853 13 2 "[ . 1 + . * 2]"
1 51 GLU 5.616 0.272 11 0 "[ . 1 . 2]"
1 52 ASP 2.801 0.544 11 1 "[ . 1+ . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 4.940 0.508 4 1 "[ +. 1 . 2]"
1 55 THR 9.666 0.713 6 3 "[ .+- * . 2]"
1 56 LEU 8.719 0.477 3 0 "[ . 1 . 2]"
1 57 SER 3.326 0.252 9 0 "[ . 1 . 2]"
1 58 ASP 2.861 0.196 8 0 "[ . 1 . 2]"
1 59 TYR 33.403 0.947 13 9 "[* *.* ** +*. * -]"
1 60 ASN 1.821 0.343 11 0 "[ . 1 . 2]"
1 61 ILE 24.297 0.710 19 4 "[ . -1 *. * +2]"
1 62 GLN 2.299 0.615 2 1 "[ + . 1 . 2]"
1 63 LYS 6.535 0.615 2 1 "[ + . 1 . 2]"
1 64 GLU 14.189 0.755 13 5 "[ . -1 +*. * *2]"
1 65 SER 8.002 0.568 6 1 "[ .+ 1 . 2]"
1 66 THR 17.179 0.944 19 7 "[*- * * 1* . * +2]"
1 67 LEU 11.955 0.628 2 2 "[ + .- 1 . 2]"
1 68 HIS 46.927 1.953 7 19 "[* ****+********-****]"
1 69 LEU 4.789 0.266 20 0 "[ . 1 . 2]"
1 70 VAL 27.561 1.257 2 10 "[ +**.* * * * *- * 2]"
1 71 LEU 2.171 0.376 2 0 "[ . 1 . 2]"
1 72 ARG 2.338 0.399 13 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 GLN H . . 2.920 2.322 2.106 2.889 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 63 LYS HB2 . . 3.370 3.412 2.144 3.640 0.270 19 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 3 ILE MG . . 4.320 3.907 2.775 4.910 0.590 10 1 "[ . + . 2]" 1
4 1 1 MET QB 1 17 VAL QG . . 3.840 3.101 2.109 5.083 1.243 10 2 "[ . + -. 2]" 1
5 1 1 MET QG 1 17 VAL QG . . 3.970 3.250 2.025 4.195 0.225 14 0 "[ . 1 . 2]" 1
6 1 2 GLN H 1 2 GLN HB2 . . 3.560 2.664 2.262 3.732 0.172 18 0 "[ . 1 . 2]" 1
7 1 2 GLN H 1 2 GLN QB . . 2.970 2.320 2.137 2.911 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN H 1 2 GLN HB3 . . 3.560 2.779 2.362 3.599 0.039 8 0 "[ . 1 . 2]" 1
9 1 2 GLN H 1 2 GLN HG2 . . 4.440 4.211 2.480 4.503 0.063 11 0 "[ . 1 . 2]" 1
10 1 2 GLN H 1 2 GLN HG3 . . 4.550 4.076 2.847 4.629 0.079 17 0 "[ . 1 . 2]" 1
11 1 2 GLN H 1 3 ILE MG . . 5.120 4.488 3.778 5.039 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLN H 1 17 VAL QG . . 5.500 5.022 4.353 6.153 0.653 14 1 "[ . 1 +. 2]" 1
13 1 2 GLN H 1 63 LYS HA . . 4.660 4.282 3.098 4.745 0.085 10 0 "[ . 1 . 2]" 1
14 1 2 GLN H 1 63 LYS HB2 . . 4.820 3.699 2.774 4.373 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLN H 1 64 GLU H . . 4.930 3.916 3.352 4.596 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN HA 1 2 GLN HE21 . . 5.500 4.642 3.525 5.568 0.068 18 0 "[ . 1 . 2]" 1
17 1 2 GLN HA 1 2 GLN HG2 . . 4.030 3.292 2.570 3.725 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN HA 1 3 ILE H . . 2.790 2.229 2.163 2.396 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLN HA 1 3 ILE HA . . 5.100 4.526 4.479 4.579 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLN HA 1 3 ILE MD . . 5.230 5.324 5.146 5.489 0.259 4 0 "[ . 1 . 2]" 1
21 1 2 GLN HA 1 3 ILE MG . . 4.530 3.766 3.604 4.042 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLN HA 1 15 LEU H . . 5.270 4.531 4.293 5.085 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN HA 1 17 VAL H . . 4.240 3.588 3.048 4.254 0.014 13 0 "[ . 1 . 2]" 1
24 1 2 GLN HA 1 17 VAL QG . . 4.640 3.705 2.934 4.459 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN QB 1 2 GLN HE21 . . 3.860 3.064 2.479 3.920 0.060 5 0 "[ . 1 . 2]" 1
26 1 2 GLN QB 1 2 GLN HE22 . . 4.500 3.665 3.340 4.109 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN QB 1 3 ILE H . . 4.040 3.315 2.360 3.850 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN QB 1 14 THR MG . . 4.190 3.531 2.131 4.245 0.055 5 0 "[ . 1 . 2]" 1
29 1 2 GLN QB 1 64 GLU H . . 5.340 3.906 3.480 4.870 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN HB2 1 3 ILE H . . 4.800 3.947 2.390 4.373 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN HB3 1 3 ILE H . . 4.800 3.736 2.436 4.274 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HE21 1 4 PHE QE . . 5.500 4.449 2.750 5.490 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HE21 1 4 PHE HZ . . 5.500 4.407 2.385 5.530 0.030 13 0 "[ . 1 . 2]" 1
34 1 2 GLN HE21 1 14 THR HB . . 5.500 5.230 4.270 5.603 0.103 18 0 "[ . 1 . 2]" 1
35 1 2 GLN HE21 1 14 THR MG . . 4.000 2.691 1.689 3.268 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN HE22 1 4 PHE QE . . 5.500 5.003 4.129 6.062 0.562 8 1 "[ . + 1 . 2]" 1
37 1 2 GLN HE22 1 4 PHE HZ . . 5.500 4.758 3.778 5.526 0.026 8 0 "[ . 1 . 2]" 1
38 1 2 GLN HE22 1 14 THR MG . . 4.110 3.437 2.571 4.641 0.531 18 2 "[ . - . + 2]" 1
39 1 2 GLN HG2 1 3 ILE H . . 4.740 3.458 2.945 4.445 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HG2 1 4 PHE QE . . 5.500 3.908 3.166 5.475 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HG2 1 4 PHE HZ . . 5.500 3.807 2.834 5.503 0.003 8 0 "[ . 1 . 2]" 1
42 1 2 GLN HG2 1 14 THR MG . . 3.780 2.848 2.406 3.522 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HG2 1 15 LEU H . . 5.500 4.486 4.087 5.540 0.040 20 0 "[ . 1 . 2]" 1
44 1 2 GLN HG3 1 3 ILE H . . 4.530 3.227 2.169 4.375 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HG3 1 14 THR MG . . 3.850 2.832 2.304 4.102 0.252 4 0 "[ . 1 . 2]" 1
46 1 2 GLN HG3 1 15 LEU H . . 5.450 4.135 3.162 5.537 0.087 4 0 "[ . 1 . 2]" 1
47 1 3 ILE H 1 3 ILE MD . . 4.680 4.172 4.022 4.298 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE H 1 3 ILE HG12 . . 4.090 2.576 2.377 2.738 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE H 1 3 ILE QG . . 3.420 2.481 2.322 2.615 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE H 1 3 ILE HG13 . . 4.090 3.246 3.035 3.465 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE H 1 3 ILE MG . . 3.790 3.132 3.024 3.307 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE H 1 4 PHE H . . 5.080 4.437 4.366 4.499 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE H 1 14 THR MG . . 4.810 3.788 3.394 4.194 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE H 1 15 LEU H . . 3.700 3.007 2.781 3.586 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE H 1 15 LEU QB . . 4.850 3.450 3.211 3.706 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE H 1 17 VAL QG . . 4.370 3.731 3.267 4.100 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE HA 1 3 ILE MD . . 4.410 4.238 4.224 4.253 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE HA 1 3 ILE MG . . 3.220 2.360 2.317 2.421 . 0 0 "[ . 1 . 2]" 1
59 1 3 ILE HA 1 4 PHE H . . 3.110 2.368 2.314 2.439 . 0 0 "[ . 1 . 2]" 1
60 1 3 ILE HA 1 4 PHE QD . . 5.210 3.682 3.367 4.145 . 0 0 "[ . 1 . 2]" 1
61 1 3 ILE HA 1 17 VAL QG . . 5.500 4.983 4.580 5.369 . 0 0 "[ . 1 . 2]" 1
62 1 3 ILE HA 1 64 GLU H . . 3.640 3.394 3.165 3.650 0.010 9 0 "[ . 1 . 2]" 1
63 1 3 ILE HA 1 64 GLU HA . . 3.990 3.202 2.823 3.895 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE HA 1 65 SER H . . 4.640 3.353 2.903 3.799 . 0 0 "[ . 1 . 2]" 1
65 1 3 ILE HB 1 3 ILE MD . . 3.270 2.437 2.396 2.490 . 0 0 "[ . 1 . 2]" 1
66 1 3 ILE HB 1 4 PHE H . . 3.030 2.514 2.384 2.700 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE HB 1 65 SER H . . 4.960 4.270 3.779 4.704 . 0 0 "[ . 1 . 2]" 1
68 1 3 ILE MD 1 4 PHE H . . 4.780 4.304 4.123 4.582 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE MD 1 17 VAL HB . . 4.620 4.369 4.073 4.865 0.245 10 0 "[ . 1 . 2]" 1
70 1 3 ILE QG 1 4 PHE H . . 4.220 3.557 3.323 3.722 . 0 0 "[ . 1 . 2]" 1
71 1 3 ILE QG 1 17 VAL QG . . 3.760 2.447 2.204 2.693 . 0 0 "[ . 1 . 2]" 1
72 1 3 ILE HG12 1 17 VAL QG . . 4.290 2.486 2.232 2.745 . 0 0 "[ . 1 . 2]" 1
73 1 3 ILE HG13 1 17 VAL QG . . 4.290 3.661 3.400 3.900 . 0 0 "[ . 1 . 2]" 1
74 1 3 ILE MG 1 4 PHE H . . 3.620 3.782 3.688 3.882 0.262 17 0 "[ . 1 . 2]" 1
75 1 3 ILE MG 1 61 ILE MG . . 2.760 2.696 2.461 3.013 0.253 19 0 "[ . 1 . 2]" 1
76 1 3 ILE MG 1 62 GLN H . . 5.500 4.958 4.288 5.530 0.030 4 0 "[ . 1 . 2]" 1
77 1 3 ILE MG 1 63 LYS H . . 5.500 4.945 4.501 5.260 . 0 0 "[ . 1 . 2]" 1
78 1 3 ILE MG 1 63 LYS HA . . 3.800 3.064 2.574 3.421 . 0 0 "[ . 1 . 2]" 1
79 1 3 ILE MG 1 64 GLU H . . 3.650 3.254 2.959 3.617 . 0 0 "[ . 1 . 2]" 1
80 1 3 ILE MG 1 65 SER H . . 3.300 2.904 2.525 3.357 0.057 13 0 "[ . 1 . 2]" 1
81 1 3 ILE MG 1 65 SER HB2 . . 4.390 3.382 2.601 4.803 0.413 14 0 "[ . 1 . 2]" 1
82 1 3 ILE MG 1 65 SER QB . . 3.700 2.956 2.359 4.072 0.372 14 0 "[ . 1 . 2]" 1
83 1 3 ILE MG 1 65 SER HB3 . . 4.390 3.890 2.392 4.694 0.304 20 0 "[ . 1 . 2]" 1
84 1 4 PHE H 1 4 PHE HB2 . . 3.630 2.578 2.530 2.618 . 0 0 "[ . 1 . 2]" 1
85 1 4 PHE H 1 4 PHE HB3 . . 4.160 3.735 3.700 3.770 . 0 0 "[ . 1 . 2]" 1
86 1 4 PHE H 1 4 PHE QD . . 4.000 3.187 3.043 3.389 . 0 0 "[ . 1 . 2]" 1
87 1 4 PHE H 1 5 VAL MG2 . . 4.250 4.565 4.462 4.655 0.405 2 0 "[ . 1 . 2]" 1
88 1 4 PHE H 1 64 GLU HA . . 5.050 4.557 4.219 5.100 0.050 13 0 "[ . 1 . 2]" 1
89 1 4 PHE H 1 65 SER H . . 5.310 4.439 3.930 4.955 . 0 0 "[ . 1 . 2]" 1
90 1 4 PHE H 1 66 THR HA . . 3.730 3.350 3.002 3.738 0.008 12 0 "[ . 1 . 2]" 1
91 1 4 PHE H 1 67 LEU H . . 4.690 3.587 3.421 3.909 . 0 0 "[ . 1 . 2]" 1
92 1 4 PHE HA 1 4 PHE QD . . 3.610 2.582 2.460 2.751 . 0 0 "[ . 1 . 2]" 1
93 1 4 PHE HA 1 4 PHE QE . . 5.260 4.557 4.482 4.664 . 0 0 "[ . 1 . 2]" 1
94 1 4 PHE HA 1 5 VAL H . . 2.990 2.263 2.202 2.333 . 0 0 "[ . 1 . 2]" 1
95 1 4 PHE HA 1 5 VAL HB . . 5.500 5.004 4.931 5.086 . 0 0 "[ . 1 . 2]" 1
96 1 4 PHE HA 1 5 VAL MG2 . . 4.700 3.594 3.536 3.690 . 0 0 "[ . 1 . 2]" 1
97 1 4 PHE HA 1 12 THR MG . . 4.180 3.690 3.469 4.147 . 0 0 "[ . 1 . 2]" 1
98 1 4 PHE HA 1 13 ILE H . . 5.250 4.713 4.497 4.923 . 0 0 "[ . 1 . 2]" 1
99 1 4 PHE HA 1 14 THR H . . 5.180 5.063 4.924 5.191 0.011 13 0 "[ . 1 . 2]" 1
100 1 4 PHE HA 1 14 THR HA . . 3.620 2.859 2.635 3.107 . 0 0 "[ . 1 . 2]" 1
101 1 4 PHE HA 1 14 THR MG . . 4.900 4.086 3.472 4.545 . 0 0 "[ . 1 . 2]" 1
102 1 4 PHE HA 1 15 LEU H . . 4.230 3.610 3.374 3.776 . 0 0 "[ . 1 . 2]" 1
103 1 4 PHE HB2 1 5 VAL H . . 4.410 3.996 3.779 4.224 . 0 0 "[ . 1 . 2]" 1
104 1 4 PHE HB2 1 12 THR MG . . 3.890 3.602 3.395 4.114 0.224 10 0 "[ . 1 . 2]" 1
105 1 4 PHE HB2 1 66 THR HA . . 3.830 2.462 2.216 2.742 . 0 0 "[ . 1 . 2]" 1
106 1 4 PHE HB2 1 66 THR MG . . 3.890 2.783 2.443 3.190 . 0 0 "[ . 1 . 2]" 1
107 1 4 PHE HB2 1 67 LEU H . . 4.360 3.769 3.584 3.891 . 0 0 "[ . 1 . 2]" 1
108 1 4 PHE HB3 1 5 VAL H . . 3.870 2.882 2.610 3.130 . 0 0 "[ . 1 . 2]" 1
109 1 4 PHE HB3 1 6 LYS H . . 5.470 5.488 5.358 5.561 0.091 14 0 "[ . 1 . 2]" 1
110 1 4 PHE HB3 1 12 THR MG . . 3.140 2.327 2.137 2.832 . 0 0 "[ . 1 . 2]" 1
111 1 4 PHE HB3 1 13 ILE H . . 5.300 4.455 4.188 4.744 . 0 0 "[ . 1 . 2]" 1
112 1 4 PHE HB3 1 66 THR HA . . 4.350 3.798 3.570 4.079 . 0 0 "[ . 1 . 2]" 1
113 1 4 PHE HB3 1 67 LEU H . . 5.060 4.696 4.422 4.974 . 0 0 "[ . 1 . 2]" 1
114 1 4 PHE QD 1 5 VAL H . . 4.410 3.746 3.598 3.907 . 0 0 "[ . 1 . 2]" 1
115 1 4 PHE QD 1 12 THR MG . . 3.290 2.488 2.323 2.687 . 0 0 "[ . 1 . 2]" 1
116 1 4 PHE QD 1 14 THR H . . 5.300 4.494 4.146 4.708 . 0 0 "[ . 1 . 2]" 1
117 1 4 PHE QD 1 14 THR HA . . 3.880 2.683 2.455 2.853 . 0 0 "[ . 1 . 2]" 1
118 1 4 PHE QD 1 14 THR HB . . 5.100 4.678 4.339 4.982 . 0 0 "[ . 1 . 2]" 1
119 1 4 PHE QD 1 14 THR MG . . 3.880 3.120 2.720 3.486 . 0 0 "[ . 1 . 2]" 1
120 1 4 PHE QD 1 15 LEU H . . 4.880 4.352 4.016 4.563 . 0 0 "[ . 1 . 2]" 1
121 1 4 PHE QD 1 64 GLU HA . . 4.630 3.091 2.835 3.415 . 0 0 "[ . 1 . 2]" 1
122 1 4 PHE QD 1 66 THR HA . . 4.600 3.889 3.600 4.138 . 0 0 "[ . 1 . 2]" 1
123 1 4 PHE QD 1 66 THR MG . . 4.820 4.063 3.567 4.365 . 0 0 "[ . 1 . 2]" 1
124 1 4 PHE QE 1 12 THR MG . . 4.580 3.898 3.643 4.162 . 0 0 "[ . 1 . 2]" 1
125 1 4 PHE QE 1 14 THR HB . . 5.450 4.344 4.154 4.623 . 0 0 "[ . 1 . 2]" 1
126 1 4 PHE QE 1 14 THR MG . . 3.600 2.373 2.254 2.472 . 0 0 "[ . 1 . 2]" 1
127 1 4 PHE QE 1 64 GLU H . . 4.830 4.642 4.219 4.934 0.104 3 0 "[ . 1 . 2]" 1
128 1 4 PHE QE 1 64 GLU HA . . 3.920 2.639 2.418 2.838 . 0 0 "[ . 1 . 2]" 1
129 1 4 PHE QE 1 64 GLU HB2 . . 4.390 4.318 3.865 4.913 0.523 17 1 "[ . 1 . + 2]" 1
130 1 4 PHE QE 1 64 GLU QB . . 3.690 2.837 2.183 4.212 0.522 13 1 "[ . 1 + . 2]" 1
131 1 4 PHE QE 1 64 GLU HB3 . . 4.390 2.920 2.195 5.145 0.755 13 1 "[ . 1 + . 2]" 1
132 1 4 PHE QE 1 64 GLU QG . . 4.010 2.702 2.276 3.413 . 0 0 "[ . 1 . 2]" 1
133 1 4 PHE HZ 1 14 THR MG . . 4.230 3.638 3.204 3.887 . 0 0 "[ . 1 . 2]" 1
134 1 4 PHE HZ 1 64 GLU HA . . 4.750 4.628 4.077 4.806 0.056 13 0 "[ . 1 . 2]" 1
135 1 4 PHE HZ 1 64 GLU QG . . 4.200 3.882 2.961 4.886 0.686 13 2 "[ . 1 + . - 2]" 1
136 1 5 VAL H 1 5 VAL HB . . 3.430 2.973 2.849 3.092 . 0 0 "[ . 1 . 2]" 1
137 1 5 VAL H 1 5 VAL MG2 . . 3.430 2.707 2.597 2.828 . 0 0 "[ . 1 . 2]" 1
138 1 5 VAL H 1 6 LYS H . . 4.950 4.466 4.439 4.498 . 0 0 "[ . 1 . 2]" 1
139 1 5 VAL H 1 12 THR HA . . 4.750 4.219 4.062 4.562 . 0 0 "[ . 1 . 2]" 1
140 1 5 VAL H 1 12 THR MG . . 4.060 3.351 2.910 3.982 . 0 0 "[ . 1 . 2]" 1
141 1 5 VAL H 1 13 ILE H . . 3.710 2.883 2.607 3.197 . 0 0 "[ . 1 . 2]" 1
142 1 5 VAL H 1 13 ILE HB . . 4.400 2.821 2.679 2.925 . 0 0 "[ . 1 . 2]" 1
143 1 5 VAL H 1 13 ILE HG12 . . 4.920 4.182 3.938 4.356 . 0 0 "[ . 1 . 2]" 1
144 1 5 VAL H 1 13 ILE QG . . 4.090 3.973 3.790 4.096 0.006 19 0 "[ . 1 . 2]" 1
145 1 5 VAL H 1 13 ILE HG13 . . 4.920 4.962 4.886 5.011 0.091 13 0 "[ . 1 . 2]" 1
146 1 5 VAL H 1 14 THR HA . . 5.320 4.051 3.847 4.285 . 0 0 "[ . 1 . 2]" 1
147 1 5 VAL H 1 30 ILE MD . . 5.450 5.777 5.555 5.992 0.542 9 1 "[ . +1 . 2]" 1
148 1 5 VAL HB 1 13 ILE H . . 4.930 3.495 3.233 3.849 . 0 0 "[ . 1 . 2]" 1
149 1 5 VAL MG1 1 6 LYS H . . 3.430 2.385 2.268 2.529 . 0 0 "[ . 1 . 2]" 1
150 1 5 VAL MG1 1 7 THR H . . 5.130 4.263 3.849 4.553 . 0 0 "[ . 1 . 2]" 1
151 1 5 VAL MG1 1 7 THR HA . . 4.550 3.977 3.775 4.378 . 0 0 "[ . 1 . 2]" 1
152 1 5 VAL MG1 1 68 HIS HA . . 3.970 3.608 3.369 4.018 0.048 8 0 "[ . 1 . 2]" 1
153 1 5 VAL MG1 1 68 HIS QB . . 5.500 4.779 4.564 5.060 . 0 0 "[ . 1 . 2]" 1
154 1 5 VAL MG1 1 69 LEU H . . 3.990 3.786 3.319 4.072 0.082 14 0 "[ . 1 . 2]" 1
155 1 5 VAL MG2 1 6 LYS H . . 4.330 4.112 4.044 4.186 . 0 0 "[ . 1 . 2]" 1
156 1 5 VAL MG2 1 30 ILE MD . . 2.760 2.472 2.337 2.653 . 0 0 "[ . 1 . 2]" 1
157 1 5 VAL MG2 1 67 LEU H . . 3.820 4.032 3.782 4.448 0.628 2 1 "[ + . 1 . 2]" 1
158 1 5 VAL MG2 1 67 LEU HA . . 5.160 5.219 5.058 5.529 0.369 2 0 "[ . 1 . 2]" 1
159 1 5 VAL MG2 1 67 LEU HB2 . . 3.280 2.473 2.329 2.823 . 0 0 "[ . 1 . 2]" 1
160 1 6 LYS H 1 6 LYS HB2 . . 3.630 3.030 2.927 3.076 . 0 0 "[ . 1 . 2]" 1
161 1 6 LYS H 1 6 LYS HB3 . . 3.390 2.220 2.150 2.290 . 0 0 "[ . 1 . 2]" 1
162 1 6 LYS H 1 6 LYS QD . . 5.370 4.707 4.474 5.128 . 0 0 "[ . 1 . 2]" 1
163 1 6 LYS H 1 6 LYS QG . . 5.050 3.802 3.727 3.855 . 0 0 "[ . 1 . 2]" 1
164 1 6 LYS H 1 66 THR MG . . 4.060 3.846 3.478 4.604 0.544 2 1 "[ + . 1 . 2]" 1
165 1 6 LYS H 1 67 LEU H . . 4.760 4.430 3.912 4.697 . 0 0 "[ . 1 . 2]" 1
166 1 6 LYS H 1 68 HIS HA . . 3.330 2.655 2.434 2.907 . 0 0 "[ . 1 . 2]" 1
167 1 6 LYS H 1 68 HIS QB . . 5.500 4.707 4.510 4.937 . 0 0 "[ . 1 . 2]" 1
168 1 6 LYS H 1 69 LEU H . . 4.730 3.796 3.494 4.017 . 0 0 "[ . 1 . 2]" 1
169 1 6 LYS HA 1 6 LYS QD . . 4.300 2.859 2.286 3.802 . 0 0 "[ . 1 . 2]" 1
170 1 6 LYS HA 1 7 THR H . . 2.760 2.197 2.156 2.233 . 0 0 "[ . 1 . 2]" 1
171 1 6 LYS HB2 1 6 LYS QE . . 3.940 3.550 2.103 4.296 0.356 7 0 "[ . 1 . 2]" 1
172 1 6 LYS HB3 1 69 LEU H . . 5.240 3.405 3.244 3.561 . 0 0 "[ . 1 . 2]" 1
173 1 6 LYS QD 1 7 THR H . . 5.250 3.473 2.491 4.884 . 0 0 "[ . 1 . 2]" 1
174 1 6 LYS QD 1 66 THR MG . . 4.090 4.165 3.465 5.034 0.944 19 2 "[ . - 1 . +2]" 1
175 1 6 LYS QD 1 68 HIS HD2 . . 5.240 5.216 4.425 6.030 0.790 7 4 "[ . + * .- *]" 1
176 1 6 LYS QD 1 68 HIS HE1 . . 4.610 5.655 5.014 6.502 1.892 19 18 "[* ******** ******-+*]" 1
177 1 6 LYS QE 1 7 THR H . . 4.990 4.226 2.498 5.383 0.393 16 0 "[ . 1 . 2]" 1
178 1 6 LYS QE 1 10 GLY QA . . 4.100 3.306 1.980 4.983 0.883 20 2 "[ . - 1 . +]" 1
179 1 6 LYS QE 1 68 HIS HE1 . . 5.500 5.846 4.190 7.453 1.953 7 7 "[ - * + *1* * * 2]" 1
180 1 6 LYS QG 1 7 THR H . . 4.170 3.842 3.570 4.066 . 0 0 "[ . 1 . 2]" 1
181 1 6 LYS QG 1 10 GLY QA . . 4.620 4.923 4.092 6.510 1.890 8 4 "[*- . + 1 . *]" 1
182 1 6 LYS QG 1 68 HIS HA . . 4.440 3.127 2.871 3.381 . 0 0 "[ . 1 . 2]" 1
183 1 6 LYS QG 1 69 LEU H . . 5.080 3.277 3.121 3.435 . 0 0 "[ . 1 . 2]" 1
184 1 7 THR H 1 7 THR MG . . 3.040 2.229 2.129 2.352 . 0 0 "[ . 1 . 2]" 1
185 1 7 THR H 1 8 LEU H . . 4.560 4.608 4.552 4.641 0.081 9 0 "[ . 1 . 2]" 1
186 1 7 THR H 1 11 LYS H . . 4.360 3.932 3.448 4.403 0.043 11 0 "[ . 1 . 2]" 1
187 1 7 THR H 1 11 LYS QB . . 4.220 3.938 3.510 4.614 0.394 8 0 "[ . 1 . 2]" 1
188 1 7 THR H 1 13 ILE H . . 4.700 4.291 4.102 4.573 . 0 0 "[ . 1 . 2]" 1
189 1 7 THR H 1 69 LEU MD2 . . 5.370 4.511 4.339 4.638 . 0 0 "[ . 1 . 2]" 1
190 1 7 THR HA 1 7 THR MG . . 3.590 2.623 2.497 2.696 . 0 0 "[ . 1 . 2]" 1
191 1 7 THR HA 1 8 LEU H . . 3.430 2.393 2.279 2.769 . 0 0 "[ . 1 . 2]" 1
192 1 7 THR HA 1 69 LEU H . . 4.230 4.071 3.858 4.233 0.003 16 0 "[ . 1 . 2]" 1
193 1 7 THR HA 1 69 LEU HB2 . . 4.410 3.159 2.917 3.498 . 0 0 "[ . 1 . 2]" 1
194 1 7 THR HA 1 69 LEU HB3 . . 4.170 2.399 2.314 2.580 . 0 0 "[ . 1 . 2]" 1
195 1 7 THR HA 1 69 LEU MD1 . . 4.720 4.494 4.285 4.793 0.073 12 0 "[ . 1 . 2]" 1
196 1 7 THR HA 1 69 LEU MD2 . . 3.620 2.322 2.175 2.552 . 0 0 "[ . 1 . 2]" 1
197 1 7 THR MG 1 8 LEU H . . 4.820 3.880 3.757 3.970 . 0 0 "[ . 1 . 2]" 1
198 1 7 THR MG 1 13 ILE H . . 4.670 3.654 3.326 3.926 . 0 0 "[ . 1 . 2]" 1
199 1 7 THR MG 1 69 LEU H . . 5.500 5.494 5.148 5.766 0.266 20 0 "[ . 1 . 2]" 1
200 1 7 THR MG 1 69 LEU MD2 . . 3.100 2.546 2.140 2.965 . 0 0 "[ . 1 . 2]" 1
201 1 8 LEU H 1 8 LEU QB . . 3.490 2.369 2.064 2.568 . 0 0 "[ . 1 . 2]" 1
202 1 8 LEU H 1 8 LEU QD . . 4.540 2.547 1.731 3.287 . 0 0 "[ . 1 . 2]" 1
203 1 8 LEU H 1 69 LEU MD2 . . 4.620 2.877 2.278 3.436 . 0 0 "[ . 1 . 2]" 1
204 1 8 LEU HA 1 8 LEU MD1 . . 4.330 3.271 2.165 3.944 . 0 0 "[ . 1 . 2]" 1
205 1 8 LEU HA 1 8 LEU QD . . 3.030 2.412 2.108 3.169 0.139 1 0 "[ . 1 . 2]" 1
206 1 8 LEU HA 1 8 LEU MD2 . . 4.330 2.808 2.204 3.793 . 0 0 "[ . 1 . 2]" 1
207 1 8 LEU QB 1 8 LEU QD . . 2.690 1.975 1.918 2.097 . 0 0 "[ . 1 . 2]" 1
208 1 8 LEU QD 1 70 VAL H . . 5.080 4.409 3.929 5.216 0.136 2 0 "[ . 1 . 2]" 1
209 1 8 LEU QD 1 70 VAL HA . . 3.390 2.417 2.101 2.945 . 0 0 "[ . 1 . 2]" 1
210 1 8 LEU QD 1 71 LEU H . . 3.080 2.369 1.946 3.089 0.009 2 0 "[ . 1 . 2]" 1
211 1 8 LEU QD 1 71 LEU QB . . 3.710 3.116 2.173 3.885 0.175 16 0 "[ . 1 . 2]" 1
212 1 8 LEU MD1 1 70 VAL HA . . 4.080 2.955 2.113 3.534 . 0 0 "[ . 1 . 2]" 1
213 1 8 LEU MD1 1 71 LEU H . . 3.970 2.754 1.951 3.755 . 0 0 "[ . 1 . 2]" 1
214 1 8 LEU MD2 1 70 VAL HA . . 4.080 2.863 2.170 4.345 0.265 2 0 "[ . 1 . 2]" 1
215 1 8 LEU MD2 1 71 LEU H . . 3.970 2.990 2.320 4.012 0.042 4 0 "[ . 1 . 2]" 1
216 1 9 THR HA 1 9 THR MG . . 3.120 2.330 2.179 2.661 . 0 0 "[ . 1 . 2]" 1
217 1 10 GLY H 1 11 LYS H . . 4.540 3.004 2.711 3.722 . 0 0 "[ . 1 . 2]" 1
218 1 10 GLY QA 1 11 LYS HG2 . . 5.020 4.708 3.965 5.600 0.580 16 1 "[ . 1 .+ 2]" 1
219 1 11 LYS H 1 11 LYS QB . . 3.170 2.452 2.012 2.834 . 0 0 "[ . 1 . 2]" 1
220 1 11 LYS H 1 11 LYS HG2 . . 4.470 3.089 2.227 4.274 . 0 0 "[ . 1 . 2]" 1
221 1 11 LYS H 1 11 LYS HG3 . . 4.760 3.476 1.939 4.770 0.010 8 0 "[ . 1 . 2]" 1
222 1 11 LYS HA 1 11 LYS HG3 . . 4.030 3.623 3.251 3.844 . 0 0 "[ . 1 . 2]" 1
223 1 12 THR H 1 13 ILE MD . . 4.820 4.376 3.857 4.822 0.002 17 0 "[ . 1 . 2]" 1
224 1 12 THR HA 1 12 THR MG . . 3.260 2.267 2.221 2.352 . 0 0 "[ . 1 . 2]" 1
225 1 12 THR HA 1 13 ILE H . . 2.920 2.151 2.073 2.207 . 0 0 "[ . 1 . 2]" 1
226 1 12 THR HA 1 13 ILE HB . . 5.450 4.799 4.632 4.973 . 0 0 "[ . 1 . 2]" 1
227 1 12 THR HB 1 13 ILE H . . 4.940 4.236 3.985 4.477 . 0 0 "[ . 1 . 2]" 1
228 1 12 THR MG 1 13 ILE H . . 3.540 3.040 2.563 3.472 . 0 0 "[ . 1 . 2]" 1
229 1 13 ILE H 1 13 ILE HB . . 3.730 2.674 2.558 2.786 . 0 0 "[ . 1 . 2]" 1
230 1 13 ILE H 1 13 ILE MD . . 4.630 3.135 2.861 3.313 . 0 0 "[ . 1 . 2]" 1
231 1 13 ILE H 1 13 ILE HG12 . . 3.730 2.217 2.050 2.364 . 0 0 "[ . 1 . 2]" 1
232 1 13 ILE H 1 13 ILE HG13 . . 3.730 3.710 3.573 3.823 0.093 17 0 "[ . 1 . 2]" 1
233 1 13 ILE H 1 13 ILE MG . . 4.060 3.862 3.815 3.892 . 0 0 "[ . 1 . 2]" 1
234 1 13 ILE H 1 14 THR H . . 5.020 4.564 4.474 4.650 . 0 0 "[ . 1 . 2]" 1
235 1 13 ILE HA 1 13 ILE MD . . 4.290 2.385 2.321 2.464 . 0 0 "[ . 1 . 2]" 1
236 1 13 ILE HA 1 13 ILE MG . . 3.290 2.324 2.275 2.394 . 0 0 "[ . 1 . 2]" 1
237 1 13 ILE HA 1 14 THR H . . 2.900 2.207 2.139 2.295 . 0 0 "[ . 1 . 2]" 1
238 1 13 ILE HA 1 14 THR HA . . 4.520 4.479 4.418 4.514 . 0 0 "[ . 1 . 2]" 1
239 1 13 ILE HB 1 13 ILE MD . . 3.420 3.279 3.257 3.291 . 0 0 "[ . 1 . 2]" 1
240 1 13 ILE HB 1 14 THR H . . 3.930 3.929 3.717 4.025 0.095 1 0 "[ . 1 . 2]" 1
241 1 13 ILE MD 1 14 THR H . . 4.620 4.109 4.005 4.253 . 0 0 "[ . 1 . 2]" 1
242 1 13 ILE MD 1 34 GLU QB . . 3.710 3.724 3.252 4.165 0.455 9 0 "[ . 1 . 2]" 1
243 1 13 ILE MD 1 34 GLU HG2 . . 3.970 2.419 2.245 2.798 . 0 0 "[ . 1 . 2]" 1
244 1 13 ILE MD 1 34 GLU HG3 . . 4.320 3.664 3.363 4.012 . 0 0 "[ . 1 . 2]" 1
245 1 13 ILE QG 1 13 ILE MG . . 3.200 2.275 2.222 2.306 . 0 0 "[ . 1 . 2]" 1
246 1 13 ILE QG 1 14 THR H . . 5.340 4.775 4.696 4.863 . 0 0 "[ . 1 . 2]" 1
247 1 13 ILE MG 1 14 THR H . . 3.580 2.538 2.337 2.754 . 0 0 "[ . 1 . 2]" 1
248 1 13 ILE MG 1 33 LYS QD . . 3.970 3.983 2.839 4.953 0.983 20 3 "[ . 1* -. +]" 1
249 1 14 THR H 1 14 THR HB . . 3.280 2.797 2.656 3.034 . 0 0 "[ . 1 . 2]" 1
250 1 14 THR H 1 14 THR MG . . 4.070 3.934 3.847 4.031 . 0 0 "[ . 1 . 2]" 1
251 1 14 THR H 1 15 LEU HG . . 5.500 4.502 4.037 5.259 . 0 0 "[ . 1 . 2]" 1
252 1 14 THR H 1 33 LYS QD . . 5.500 4.903 4.389 6.007 0.507 20 1 "[ . 1 . +]" 1
253 1 14 THR H 1 33 LYS QE . . 5.500 5.217 3.610 6.541 1.041 11 6 "[ *. 1+* *. -*]" 1
254 1 14 THR HA 1 14 THR MG . . 3.360 2.271 2.222 2.327 . 0 0 "[ . 1 . 2]" 1
255 1 14 THR HA 1 15 LEU H . . 2.940 2.173 2.108 2.244 . 0 0 "[ . 1 . 2]" 1
256 1 14 THR HB 1 15 LEU H . . 4.310 4.044 3.892 4.205 . 0 0 "[ . 1 . 2]" 1
257 1 14 THR MG 1 15 LEU H . . 3.290 2.591 2.419 2.832 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU H 1 15 LEU QB . . 3.370 2.566 2.415 2.703 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU H 1 15 LEU MD1 . . 3.790 4.032 3.895 4.172 0.382 12 0 "[ . 1 . 2]" 1
260 1 15 LEU H 1 15 LEU MD2 . . 4.640 4.182 3.956 4.363 . 0 0 "[ . 1 . 2]" 1
261 1 15 LEU H 1 15 LEU HG . . 4.120 3.272 3.021 3.506 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU HA 1 15 LEU MD1 . . 4.230 3.894 3.843 3.940 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU HA 1 15 LEU MD2 . . 3.300 2.188 2.103 2.234 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU HA 1 16 GLU H . . 2.780 2.217 2.061 2.379 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU QB 1 15 LEU MD1 . . 2.880 2.098 2.077 2.126 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU QB 1 16 GLU H . . 3.340 2.697 2.420 3.287 . 0 0 "[ . 1 . 2]" 1
267 1 15 LEU MD1 1 30 ILE HA . . 4.480 3.385 2.774 3.892 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU MD1 1 30 ILE HB . . 4.180 2.880 2.507 3.283 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU MD1 1 30 ILE MD . . 2.980 2.485 2.271 3.103 0.123 13 0 "[ . 1 . 2]" 1
270 1 15 LEU MD2 1 16 GLU H . . 3.720 3.271 2.859 3.489 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU MD2 1 30 ILE HA . . 3.340 2.389 2.153 2.718 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU MD2 1 30 ILE HB . . 3.940 3.457 3.037 3.784 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU MD2 1 31 GLN H . . 5.080 5.311 4.855 5.611 0.531 14 1 "[ . 1 +. 2]" 1
274 1 15 LEU MD2 1 33 LYS H . . 4.870 4.253 3.982 4.590 . 0 0 "[ . 1 . 2]" 1
275 1 15 LEU MD2 1 33 LYS HB2 . . 3.380 3.025 2.594 3.295 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU MD2 1 33 LYS QD . . 3.670 2.799 2.071 3.880 0.210 17 0 "[ . 1 . 2]" 1
277 1 15 LEU MD2 1 33 LYS QE . . 4.050 3.793 2.986 4.841 0.791 15 3 "[ . 1 - *+ 2]" 1
278 1 15 LEU HG 1 16 GLU H . . 4.720 4.756 4.508 4.863 0.143 20 0 "[ . 1 . 2]" 1
279 1 16 GLU H 1 16 GLU HB2 . . 3.800 3.018 2.360 3.856 0.056 5 0 "[ . 1 . 2]" 1
280 1 16 GLU H 1 16 GLU QB . . 3.050 2.608 2.244 3.175 0.125 5 0 "[ . 1 . 2]" 1
281 1 16 GLU H 1 16 GLU HB3 . . 3.800 3.096 2.396 3.848 0.048 4 0 "[ . 1 . 2]" 1
282 1 16 GLU H 1 16 GLU HG2 . . 4.830 3.952 2.035 4.869 0.039 2 0 "[ . 1 . 2]" 1
283 1 16 GLU H 1 16 GLU QG . . 4.190 3.501 2.021 4.152 . 0 0 "[ . 1 . 2]" 1
284 1 16 GLU H 1 16 GLU HG3 . . 4.830 4.122 2.256 4.728 . 0 0 "[ . 1 . 2]" 1
285 1 16 GLU H 1 17 VAL H . . 4.680 4.213 3.487 4.556 . 0 0 "[ . 1 . 2]" 1
286 1 16 GLU H 1 17 VAL QG . . 4.050 3.300 2.487 3.957 . 0 0 "[ . 1 . 2]" 1
287 1 16 GLU H 1 29 LYS HD3 . . 5.500 5.128 4.223 5.591 0.091 8 0 "[ . 1 . 2]" 1
288 1 16 GLU HB2 1 17 VAL H . . 4.720 4.242 3.277 4.608 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU HB3 1 17 VAL H . . 4.720 4.022 3.135 4.703 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLU QG 1 17 VAL H . . 4.240 3.786 2.698 4.679 0.439 8 0 "[ . 1 . 2]" 1
291 1 17 VAL H 1 17 VAL QG . . 3.010 2.335 2.140 2.482 . 0 0 "[ . 1 . 2]" 1
292 1 17 VAL HA 1 17 VAL QG . . 3.100 2.336 2.260 2.442 . 0 0 "[ . 1 . 2]" 1
293 1 17 VAL HA 1 18 GLU H . . 3.010 2.414 2.205 2.567 . 0 0 "[ . 1 . 2]" 1
294 1 17 VAL HA 1 26 VAL MG2 . . 5.120 4.850 4.461 5.214 0.094 8 0 "[ . 1 . 2]" 1
295 1 17 VAL HA 1 29 LYS QE . . 4.100 3.652 2.431 4.684 0.584 20 1 "[ . 1 . +]" 1
296 1 17 VAL HB 1 18 GLU H . . 2.900 2.434 2.264 2.709 . 0 0 "[ . 1 . 2]" 1
297 1 17 VAL HB 1 21 ASP H . . 5.500 4.606 4.205 5.149 . 0 0 "[ . 1 . 2]" 1
298 1 17 VAL HB 1 26 VAL MG2 . . 3.270 3.134 2.507 3.556 0.286 1 0 "[ . 1 . 2]" 1
299 1 17 VAL HB 1 56 LEU MD1 . . 3.590 2.965 2.451 3.802 0.212 10 0 "[ . 1 . 2]" 1
300 1 17 VAL QG 1 18 GLU H . . 3.500 3.157 2.895 3.316 . 0 0 "[ . 1 . 2]" 1
301 1 17 VAL QG 1 19 PRO HA . . 5.500 4.133 3.757 4.399 . 0 0 "[ . 1 . 2]" 1
302 1 17 VAL QG 1 21 ASP H . . 5.500 4.573 4.264 4.807 . 0 0 "[ . 1 . 2]" 1
303 1 17 VAL QG 1 26 VAL HA . . 4.360 3.223 2.799 3.497 . 0 0 "[ . 1 . 2]" 1
304 1 17 VAL QG 1 26 VAL MG2 . . 2.690 2.233 2.055 2.454 . 0 0 "[ . 1 . 2]" 1
305 1 17 VAL QG 1 28 ALA H . . 5.500 6.328 6.007 6.628 1.128 11 20 [**********+**-******] 1
306 1 17 VAL QG 1 29 LYS H . . 4.750 5.250 4.919 5.575 0.825 2 11 "[*+* .** 1*** -** 2]" 1
307 1 17 VAL QG 1 29 LYS HB2 . . 3.820 3.559 3.162 3.988 0.168 2 0 "[ . 1 . 2]" 1
308 1 17 VAL QG 1 29 LYS HD2 . . 3.690 2.816 2.223 3.720 0.030 9 0 "[ . 1 . 2]" 1
309 1 17 VAL QG 1 29 LYS HD3 . . 3.200 2.525 2.161 3.118 . 0 0 "[ . 1 . 2]" 1
310 1 17 VAL QG 1 29 LYS QE . . 4.140 3.367 2.156 4.187 0.047 11 0 "[ . 1 . 2]" 1
311 1 17 VAL QG 1 56 LEU MD1 . . 3.000 2.104 1.936 2.407 . 0 0 "[ . 1 . 2]" 1
312 1 18 GLU H 1 18 GLU HB2 . . 3.470 2.411 2.208 2.582 . 0 0 "[ . 1 . 2]" 1
313 1 18 GLU H 1 18 GLU HB3 . . 3.770 3.572 3.081 3.730 . 0 0 "[ . 1 . 2]" 1
314 1 18 GLU H 1 18 GLU HG2 . . 4.680 3.895 3.046 4.493 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLU H 1 18 GLU QG . . 4.090 3.234 2.565 4.093 0.003 19 0 "[ . 1 . 2]" 1
316 1 18 GLU H 1 18 GLU HG3 . . 4.680 3.604 2.613 4.713 0.033 19 0 "[ . 1 . 2]" 1
317 1 18 GLU H 1 21 ASP H . . 4.210 3.864 3.655 4.202 . 0 0 "[ . 1 . 2]" 1
318 1 18 GLU H 1 21 ASP HB2 . . 4.190 3.234 2.810 3.397 . 0 0 "[ . 1 . 2]" 1
319 1 18 GLU H 1 21 ASP HB3 . . 4.820 4.408 4.026 4.889 0.069 10 0 "[ . 1 . 2]" 1
320 1 18 GLU H 1 56 LEU MD1 . . 4.740 4.163 3.903 4.554 . 0 0 "[ . 1 . 2]" 1
321 1 18 GLU HA 1 19 PRO QD . . 3.210 2.194 2.121 2.256 . 0 0 "[ . 1 . 2]" 1
322 1 18 GLU HA 1 19 PRO HG2 . . 5.190 4.569 4.375 4.713 . 0 0 "[ . 1 . 2]" 1
323 1 18 GLU HA 1 20 SER H . . 4.980 3.938 3.718 4.147 . 0 0 "[ . 1 . 2]" 1
324 1 18 GLU HB2 1 19 PRO QD . . 4.470 3.837 3.682 4.215 . 0 0 "[ . 1 . 2]" 1
325 1 18 GLU HB2 1 20 SER H . . 4.060 3.535 3.049 4.119 0.059 6 0 "[ . 1 . 2]" 1
326 1 18 GLU HB2 1 21 ASP H . . 4.760 3.440 2.678 4.302 . 0 0 "[ . 1 . 2]" 1
327 1 18 GLU HB3 1 19 PRO QD . . 4.140 2.501 2.180 3.518 . 0 0 "[ . 1 . 2]" 1
328 1 18 GLU HB3 1 20 SER H . . 3.480 2.442 1.947 2.836 . 0 0 "[ . 1 . 2]" 1
329 1 18 GLU HB3 1 20 SER QB . . 5.340 3.245 2.534 4.315 . 0 0 "[ . 1 . 2]" 1
330 1 18 GLU HB3 1 21 ASP H . . 4.130 3.584 2.740 4.186 0.056 10 0 "[ . 1 . 2]" 1
331 1 18 GLU QG 1 19 PRO QD . . 3.600 3.110 2.130 3.725 0.125 17 0 "[ . 1 . 2]" 1
332 1 18 GLU HG2 1 20 SER H . . 5.500 4.915 4.493 5.380 . 0 0 "[ . 1 . 2]" 1
333 1 18 GLU HG3 1 20 SER H . . 5.500 4.966 3.876 5.512 0.012 18 0 "[ . 1 . 2]" 1
334 1 19 PRO HA 1 21 ASP H . . 5.010 3.721 3.627 3.830 . 0 0 "[ . 1 . 2]" 1
335 1 19 PRO HA 1 56 LEU HB2 . . 3.670 3.227 2.794 3.499 . 0 0 "[ . 1 . 2]" 1
336 1 19 PRO HA 1 56 LEU HB3 . . 4.260 4.015 3.582 4.238 . 0 0 "[ . 1 . 2]" 1
337 1 19 PRO HA 1 56 LEU MD1 . . 4.320 2.702 2.220 3.273 . 0 0 "[ . 1 . 2]" 1
338 1 19 PRO HA 1 57 SER H . . 4.380 4.431 4.243 4.507 0.127 10 0 "[ . 1 . 2]" 1
339 1 19 PRO QB 1 57 SER H . . 4.750 4.575 4.074 4.922 0.172 12 0 "[ . 1 . 2]" 1
340 1 19 PRO QB 1 57 SER QB . . 3.820 3.418 2.778 4.045 0.225 11 0 "[ . 1 . 2]" 1
341 1 19 PRO QD 1 20 SER H . . 3.950 2.802 2.443 3.166 . 0 0 "[ . 1 . 2]" 1
342 1 20 SER H 1 20 SER HB2 . . 3.800 2.818 2.380 3.710 . 0 0 "[ . 1 . 2]" 1
343 1 20 SER H 1 20 SER QB . . 3.310 2.438 2.176 2.851 . 0 0 "[ . 1 . 2]" 1
344 1 20 SER H 1 20 SER HB3 . . 3.800 2.958 2.313 3.703 . 0 0 "[ . 1 . 2]" 1
345 1 20 SER H 1 21 ASP H . . 3.330 2.626 2.396 2.771 . 0 0 "[ . 1 . 2]" 1
346 1 20 SER HA 1 55 THR HB . . 3.890 3.702 3.116 3.920 0.030 9 0 "[ . 1 . 2]" 1
347 1 20 SER HA 1 55 THR MG . . 3.550 3.672 3.260 3.983 0.433 1 0 "[ . 1 . 2]" 1
348 1 20 SER HA 1 57 SER H . . 5.130 4.929 4.158 5.240 0.110 11 0 "[ . 1 . 2]" 1
349 1 20 SER QB 1 21 ASP H . . 4.400 3.532 3.167 4.062 . 0 0 "[ . 1 . 2]" 1
350 1 20 SER HB2 1 21 ASP H . . 5.260 4.070 3.251 4.579 . 0 0 "[ . 1 . 2]" 1
351 1 20 SER HB3 1 21 ASP H . . 5.260 4.079 3.480 4.620 . 0 0 "[ . 1 . 2]" 1
352 1 21 ASP H 1 21 ASP HB2 . . 3.010 2.362 2.232 2.421 . 0 0 "[ . 1 . 2]" 1
353 1 21 ASP H 1 21 ASP HB3 . . 3.560 3.583 3.474 3.603 0.043 20 0 "[ . 1 . 2]" 1
354 1 21 ASP H 1 26 VAL MG2 . . 4.950 4.810 4.547 5.225 0.275 6 0 "[ . 1 . 2]" 1
355 1 21 ASP H 1 56 LEU MD1 . . 3.800 3.176 2.935 3.479 . 0 0 "[ . 1 . 2]" 1
356 1 21 ASP HA 1 22 THR H . . 2.760 2.084 2.020 2.145 . 0 0 "[ . 1 . 2]" 1
357 1 21 ASP HA 1 25 ASN QD . . 4.950 3.810 2.713 4.764 . 0 0 "[ . 1 . 2]" 1
358 1 21 ASP HA 1 26 VAL MG2 . . 5.500 4.547 4.234 5.045 . 0 0 "[ . 1 . 2]" 1
359 1 21 ASP HB2 1 26 VAL MG2 . . 4.000 3.018 2.749 3.555 . 0 0 "[ . 1 . 2]" 1
360 1 21 ASP HB2 1 56 LEU H . . 5.460 4.816 4.486 5.434 . 0 0 "[ . 1 . 2]" 1
361 1 21 ASP HB2 1 56 LEU MD1 . . 4.300 2.589 2.323 3.327 . 0 0 "[ . 1 . 2]" 1
362 1 21 ASP HB3 1 22 THR H . . 3.760 3.073 2.851 3.311 . 0 0 "[ . 1 . 2]" 1
363 1 21 ASP HB3 1 25 ASN HB2 . . 4.620 3.187 2.318 4.508 . 0 0 "[ . 1 . 2]" 1
364 1 21 ASP HB3 1 25 ASN HB3 . . 4.630 2.916 2.390 3.388 . 0 0 "[ . 1 . 2]" 1
365 1 21 ASP HB3 1 26 VAL MG2 . . 3.800 2.447 2.133 2.988 . 0 0 "[ . 1 . 2]" 1
366 1 22 THR H 1 22 THR MG . . 3.010 2.251 2.017 2.954 . 0 0 "[ . 1 . 2]" 1
367 1 22 THR H 1 25 ASN H . . 4.200 3.844 3.597 4.115 . 0 0 "[ . 1 . 2]" 1
368 1 22 THR H 1 25 ASN HB2 . . 3.700 2.666 2.208 3.171 . 0 0 "[ . 1 . 2]" 1
369 1 22 THR H 1 25 ASN HB3 . . 3.960 3.564 2.523 4.017 0.057 1 0 "[ . 1 . 2]" 1
370 1 22 THR H 1 25 ASN QD . . 4.690 3.332 2.575 4.109 . 0 0 "[ . 1 . 2]" 1
371 1 22 THR H 1 55 THR HA . . 5.080 4.672 4.426 4.911 . 0 0 "[ . 1 . 2]" 1
372 1 22 THR H 1 55 THR MG . . 4.490 4.431 3.532 5.037 0.547 7 1 "[ . + 1 . 2]" 1
373 1 22 THR HG1 1 25 ASN H . . 4.580 2.671 2.089 3.528 . 0 0 "[ . 1 . 2]" 1
374 1 22 THR HG1 1 25 ASN QD . . 4.980 3.615 1.906 4.767 . 0 0 "[ . 1 . 2]" 1
375 1 22 THR MG 1 23 ILE H . . 4.140 3.910 3.213 4.115 . 0 0 "[ . 1 . 2]" 1
376 1 22 THR MG 1 25 ASN H . . 4.580 4.003 3.600 4.659 0.079 18 0 "[ . 1 . 2]" 1
377 1 22 THR MG 1 25 ASN QD . . 5.360 3.496 2.760 4.641 . 0 0 "[ . 1 . 2]" 1
378 1 22 THR MG 1 55 THR HA . . 4.370 3.963 3.215 4.446 0.076 16 0 "[ . 1 . 2]" 1
379 1 23 ILE H 1 23 ILE HB . . 3.230 2.420 2.335 2.683 . 0 0 "[ . 1 . 2]" 1
380 1 23 ILE H 1 23 ILE MD . . 3.700 3.302 3.058 3.462 . 0 0 "[ . 1 . 2]" 1
381 1 23 ILE H 1 23 ILE HG12 . . 3.150 2.283 2.161 2.374 . 0 0 "[ . 1 . 2]" 1
382 1 23 ILE H 1 23 ILE HG13 . . 4.310 3.687 3.600 3.797 . 0 0 "[ . 1 . 2]" 1
383 1 23 ILE H 1 23 ILE MG . . 4.170 3.765 3.735 3.839 . 0 0 "[ . 1 . 2]" 1
384 1 23 ILE H 1 24 GLU H . . 4.140 2.795 2.608 2.957 . 0 0 "[ . 1 . 2]" 1
385 1 23 ILE H 1 52 ASP HA . . 4.380 4.268 3.962 4.524 0.144 12 0 "[ . 1 . 2]" 1
386 1 23 ILE H 1 54 ARG H . . 4.390 3.872 3.581 4.218 . 0 0 "[ . 1 . 2]" 1
387 1 23 ILE H 1 55 THR HA . . 3.760 2.961 2.721 3.261 . 0 0 "[ . 1 . 2]" 1
388 1 23 ILE HA 1 23 ILE MD . . 3.130 2.153 2.106 2.352 . 0 0 "[ . 1 . 2]" 1
389 1 23 ILE HA 1 23 ILE MG . . 3.480 2.492 2.293 2.591 . 0 0 "[ . 1 . 2]" 1
390 1 23 ILE HA 1 26 VAL H . . 3.970 3.520 3.219 3.798 . 0 0 "[ . 1 . 2]" 1
391 1 23 ILE HA 1 26 VAL HB . . 3.670 3.139 2.855 3.557 . 0 0 "[ . 1 . 2]" 1
392 1 23 ILE HA 1 26 VAL MG1 . . 5.130 4.507 4.195 4.892 . 0 0 "[ . 1 . 2]" 1
393 1 23 ILE HA 1 26 VAL MG2 . . 3.560 3.123 2.545 3.768 0.208 9 0 "[ . 1 . 2]" 1
394 1 23 ILE HA 1 27 LYS H . . 4.800 4.073 3.632 4.600 . 0 0 "[ . 1 . 2]" 1
395 1 23 ILE HA 1 56 LEU MD2 . . 4.860 3.984 3.501 4.568 . 0 0 "[ . 1 . 2]" 1
396 1 23 ILE HB 1 24 GLU H . . 4.840 3.165 2.850 3.768 . 0 0 "[ . 1 . 2]" 1
397 1 23 ILE HB 1 52 ASP HA . . 3.320 2.531 2.071 3.071 . 0 0 "[ . 1 . 2]" 1
398 1 23 ILE HB 1 54 ARG H . . 4.580 3.279 2.795 3.735 . 0 0 "[ . 1 . 2]" 1
399 1 23 ILE MD 1 23 ILE MG . . 3.020 2.196 2.092 2.271 . 0 0 "[ . 1 . 2]" 1
400 1 23 ILE MD 1 26 VAL HB . . 4.630 3.904 3.354 4.425 . 0 0 "[ . 1 . 2]" 1
401 1 23 ILE MD 1 50 LEU MD2 . . 4.400 2.995 2.611 3.416 . 0 0 "[ . 1 . 2]" 1
402 1 23 ILE MD 1 54 ARG H . . 5.490 5.192 5.017 5.317 . 0 0 "[ . 1 . 2]" 1
403 1 23 ILE MD 1 55 THR HA . . 4.720 3.584 3.120 4.197 . 0 0 "[ . 1 . 2]" 1
404 1 23 ILE MD 1 56 LEU H . . 4.490 3.384 3.022 3.811 . 0 0 "[ . 1 . 2]" 1
405 1 23 ILE MD 1 56 LEU HA . . 3.860 2.454 2.245 2.803 . 0 0 "[ . 1 . 2]" 1
406 1 23 ILE MD 1 59 TYR H . . 5.130 4.116 3.600 4.609 . 0 0 "[ . 1 . 2]" 1
407 1 23 ILE MD 1 59 TYR QD . . 3.750 2.518 2.275 2.755 . 0 0 "[ . 1 . 2]" 1
408 1 23 ILE MD 1 59 TYR QE . . 3.660 3.645 3.408 3.928 0.268 11 0 "[ . 1 . 2]" 1
409 1 23 ILE HG12 1 54 ARG H . . 3.800 3.853 3.818 3.919 0.119 20 0 "[ . 1 . 2]" 1
410 1 23 ILE HG12 1 55 THR H . . 5.230 3.963 3.666 4.693 . 0 0 "[ . 1 . 2]" 1
411 1 23 ILE HG12 1 55 THR HA . . 5.450 3.097 2.661 3.846 . 0 0 "[ . 1 . 2]" 1
412 1 23 ILE HG12 1 59 TYR QD . . 3.890 3.293 2.973 3.696 . 0 0 "[ . 1 . 2]" 1
413 1 23 ILE HG12 1 59 TYR QE . . 3.730 3.642 2.793 3.984 0.254 5 0 "[ . 1 . 2]" 1
414 1 23 ILE HG13 1 23 ILE MG . . 3.660 2.231 2.163 2.287 . 0 0 "[ . 1 . 2]" 1
415 1 23 ILE HG13 1 59 TYR QD . . 5.460 2.700 2.326 3.169 . 0 0 "[ . 1 . 2]" 1
416 1 23 ILE HG13 1 59 TYR QE . . 3.720 2.380 2.133 2.627 . 0 0 "[ . 1 . 2]" 1
417 1 23 ILE MG 1 24 GLU H . . 4.970 3.701 3.352 4.258 . 0 0 "[ . 1 . 2]" 1
418 1 23 ILE MG 1 52 ASP H . . 4.360 3.895 3.258 4.904 0.544 11 1 "[ . 1+ . 2]" 1
419 1 23 ILE MG 1 52 ASP HA . . 3.350 2.959 2.319 3.661 0.311 16 0 "[ . 1 . 2]" 1
420 1 23 ILE MG 1 59 TYR QE . . 5.140 3.399 2.861 3.776 . 0 0 "[ . 1 . 2]" 1
421 1 24 GLU H 1 24 GLU QG . . 4.900 3.087 1.789 4.154 . 0 0 "[ . 1 . 2]" 1
422 1 24 GLU H 1 25 ASN H . . 4.040 2.609 2.264 2.854 . 0 0 "[ . 1 . 2]" 1
423 1 24 GLU H 1 52 ASP HA . . 4.530 3.604 3.125 3.909 . 0 0 "[ . 1 . 2]" 1
424 1 24 GLU HA 1 24 GLU QG . . 3.540 2.966 2.182 3.550 0.010 4 0 "[ . 1 . 2]" 1
425 1 24 GLU HA 1 27 LYS H . . 4.610 3.302 2.715 4.057 . 0 0 "[ . 1 . 2]" 1
426 1 24 GLU HA 1 27 LYS HB2 . . 3.240 2.391 2.005 3.146 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLU HA 1 27 LYS QD . . 4.190 4.015 2.158 4.798 0.608 20 5 "[ ** 1 * . -+]" 1
428 1 24 GLU HA 1 27 LYS QE . . 4.980 3.834 2.535 5.192 0.212 9 0 "[ . 1 . 2]" 1
429 1 24 GLU HA 1 28 ALA H . . 5.360 4.234 3.904 4.805 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLU QB 1 25 ASN H . . 4.380 3.106 2.416 3.608 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLU QB 1 52 ASP HB2 . . 4.130 2.869 2.288 3.589 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLU QB 1 52 ASP HB3 . . 4.040 2.806 2.172 4.492 0.452 16 0 "[ . 1 . 2]" 1
433 1 24 GLU QG 1 25 ASN H . . 3.600 3.103 1.949 4.431 0.831 16 2 "[ . - .+ 2]" 1
434 1 25 ASN H 1 25 ASN HB2 . . 3.330 2.225 2.048 2.436 . 0 0 "[ . 1 . 2]" 1
435 1 25 ASN H 1 25 ASN HB3 . . 3.480 3.295 2.575 3.610 0.130 9 0 "[ . 1 . 2]" 1
436 1 25 ASN H 1 26 VAL H . . 3.400 2.838 2.605 3.076 . 0 0 "[ . 1 . 2]" 1
437 1 25 ASN H 1 26 VAL MG2 . . 4.680 4.213 3.903 4.475 . 0 0 "[ . 1 . 2]" 1
438 1 25 ASN HA 1 25 ASN QD . . 3.990 3.544 2.952 3.800 . 0 0 "[ . 1 . 2]" 1
439 1 25 ASN HA 1 27 LYS H . . 5.340 4.589 4.393 4.809 . 0 0 "[ . 1 . 2]" 1
440 1 25 ASN HA 1 28 ALA H . . 3.820 3.517 3.232 3.744 . 0 0 "[ . 1 . 2]" 1
441 1 25 ASN HA 1 28 ALA MB . . 3.030 2.792 2.564 3.085 0.055 7 0 "[ . 1 . 2]" 1
442 1 25 ASN HA 1 29 LYS H . . 5.310 4.064 3.874 4.255 . 0 0 "[ . 1 . 2]" 1
443 1 25 ASN HB2 1 26 VAL H . . 3.700 3.032 2.395 3.748 0.048 2 0 "[ . 1 . 2]" 1
444 1 25 ASN HB3 1 26 VAL H . . 3.750 3.030 2.370 3.561 . 0 0 "[ . 1 . 2]" 1
445 1 25 ASN QD 1 28 ALA MB . . 5.220 5.180 4.604 5.672 0.452 7 0 "[ . 1 . 2]" 1
446 1 26 VAL H 1 26 VAL HB . . 3.040 2.644 2.498 2.862 . 0 0 "[ . 1 . 2]" 1
447 1 26 VAL H 1 26 VAL MG1 . . 3.840 3.823 3.805 3.853 0.013 19 0 "[ . 1 . 2]" 1
448 1 26 VAL H 1 26 VAL MG2 . . 2.880 2.069 1.963 2.187 . 0 0 "[ . 1 . 2]" 1
449 1 26 VAL H 1 27 LYS H . . 3.370 2.738 2.624 2.815 . 0 0 "[ . 1 . 2]" 1
450 1 26 VAL HA 1 26 VAL MG1 . . 3.310 2.358 2.255 2.486 . 0 0 "[ . 1 . 2]" 1
451 1 26 VAL HA 1 26 VAL MG2 . . 3.170 2.460 2.316 2.585 . 0 0 "[ . 1 . 2]" 1
452 1 26 VAL HA 1 28 ALA H . . 5.270 3.980 3.835 4.078 . 0 0 "[ . 1 . 2]" 1
453 1 26 VAL HA 1 29 LYS H . . 3.840 3.362 3.163 3.618 . 0 0 "[ . 1 . 2]" 1
454 1 26 VAL HA 1 29 LYS HB2 . . 4.040 2.576 2.151 2.995 . 0 0 "[ . 1 . 2]" 1
455 1 26 VAL HA 1 29 LYS HD2 . . 4.210 3.210 2.659 4.324 0.114 14 0 "[ . 1 . 2]" 1
456 1 26 VAL HA 1 29 LYS HD3 . . 5.060 4.102 3.234 4.773 . 0 0 "[ . 1 . 2]" 1
457 1 26 VAL HA 1 30 ILE H . . 5.500 4.061 3.780 4.365 . 0 0 "[ . 1 . 2]" 1
458 1 26 VAL HB 1 27 LYS H . . 3.330 2.715 2.621 2.864 . 0 0 "[ . 1 . 2]" 1
459 1 26 VAL HB 1 28 ALA H . . 4.870 4.964 4.914 5.001 0.131 16 0 "[ . 1 . 2]" 1
460 1 26 VAL MG1 1 27 LYS H . . 4.460 3.701 3.524 3.841 . 0 0 "[ . 1 . 2]" 1
461 1 26 VAL MG1 1 27 LYS HA . . 4.870 3.898 3.665 4.141 . 0 0 "[ . 1 . 2]" 1
462 1 26 VAL MG1 1 30 ILE H . . 4.020 4.154 3.832 4.452 0.432 8 0 "[ . 1 . 2]" 1
463 1 26 VAL MG2 1 27 LYS H . . 4.320 3.858 3.680 3.974 . 0 0 "[ . 1 . 2]" 1
464 1 26 VAL MG2 1 56 LEU MD1 . . 3.520 2.335 2.152 2.644 . 0 0 "[ . 1 . 2]" 1
465 1 26 VAL MG2 1 56 LEU MD2 . . 3.820 2.160 2.100 2.282 . 0 0 "[ . 1 . 2]" 1
466 1 26 VAL MG2 1 56 LEU HG . . 3.750 2.751 2.522 3.021 . 0 0 "[ . 1 . 2]" 1
467 1 27 LYS H 1 27 LYS HB2 . . 3.160 2.210 2.083 2.438 . 0 0 "[ . 1 . 2]" 1
468 1 27 LYS H 1 27 LYS QD . . 3.050 3.250 2.447 4.400 1.350 19 5 "[ * . - 1 * * +2]" 1
469 1 27 LYS H 1 27 LYS HG2 . . 4.620 4.391 3.603 4.616 . 0 0 "[ . 1 . 2]" 1
470 1 27 LYS H 1 27 LYS HG3 . . 4.220 3.897 2.540 4.312 0.092 13 0 "[ . 1 . 2]" 1
471 1 27 LYS H 1 28 ALA H . . 3.450 2.717 2.592 2.791 . 0 0 "[ . 1 . 2]" 1
472 1 27 LYS H 1 28 ALA MB . . 4.360 4.437 4.329 4.523 0.163 7 0 "[ . 1 . 2]" 1
473 1 27 LYS HA 1 27 LYS QD . . 3.580 3.084 2.457 4.007 0.427 17 0 "[ . 1 . 2]" 1
474 1 27 LYS HA 1 27 LYS HG2 . . 3.930 3.335 2.351 3.646 . 0 0 "[ . 1 . 2]" 1
475 1 27 LYS HA 1 29 LYS H . . 5.220 4.932 4.755 5.105 . 0 0 "[ . 1 . 2]" 1
476 1 27 LYS HA 1 30 ILE H . . 3.980 3.947 3.742 4.073 0.093 8 0 "[ . 1 . 2]" 1
477 1 27 LYS HA 1 30 ILE HB . . 3.920 3.868 3.601 4.006 0.086 18 0 "[ . 1 . 2]" 1
478 1 27 LYS HA 1 30 ILE MD . . 3.940 4.355 4.092 4.557 0.617 16 5 "[ .- 1 * .+ * *]" 1
479 1 27 LYS HA 1 30 ILE MG . . 3.330 2.646 2.391 2.870 . 0 0 "[ . 1 . 2]" 1
480 1 27 LYS HA 1 31 GLN HE22 . . 4.450 3.753 3.491 3.993 . 0 0 "[ . 1 . 2]" 1
481 1 27 LYS HB2 1 27 LYS QE . . 4.570 2.975 2.043 4.180 . 0 0 "[ . 1 . 2]" 1
482 1 27 LYS HB2 1 28 ALA H . . 3.530 3.425 3.029 3.595 0.065 13 0 "[ . 1 . 2]" 1
483 1 27 LYS HB3 1 28 ALA H . . 3.850 3.530 3.143 3.895 0.045 19 0 "[ . 1 . 2]" 1
484 1 28 ALA H 1 28 ALA MB . . 2.770 2.280 2.244 2.326 . 0 0 "[ . 1 . 2]" 1
485 1 28 ALA H 1 29 LYS H . . 3.220 2.613 2.466 2.720 . 0 0 "[ . 1 . 2]" 1
486 1 28 ALA HA 1 31 GLN H . . 4.440 3.846 3.733 3.940 . 0 0 "[ . 1 . 2]" 1
487 1 28 ALA HA 1 31 GLN HB2 . . 3.880 3.763 3.509 3.946 0.066 19 0 "[ . 1 . 2]" 1
488 1 28 ALA HA 1 31 GLN HE22 . . 4.680 3.709 3.273 4.411 . 0 0 "[ . 1 . 2]" 1
489 1 28 ALA MB 1 29 LYS H . . 3.170 2.383 2.315 2.449 . 0 0 "[ . 1 . 2]" 1
490 1 28 ALA MB 1 31 GLN H . . 5.270 4.748 4.679 4.898 . 0 0 "[ . 1 . 2]" 1
491 1 28 ALA MB 1 31 GLN HE22 . . 5.500 5.081 4.765 5.579 0.079 1 0 "[ . 1 . 2]" 1
492 1 29 LYS H 1 29 LYS HB2 . . 3.080 2.438 2.364 2.628 . 0 0 "[ . 1 . 2]" 1
493 1 29 LYS H 1 29 LYS HB3 . . 3.770 3.612 3.584 3.650 . 0 0 "[ . 1 . 2]" 1
494 1 29 LYS H 1 29 LYS HD2 . . 5.130 3.927 3.569 4.419 . 0 0 "[ . 1 . 2]" 1
495 1 29 LYS H 1 29 LYS HD3 . . 5.030 4.619 3.959 4.858 . 0 0 "[ . 1 . 2]" 1
496 1 29 LYS H 1 29 LYS HG2 . . 4.500 3.652 3.175 3.859 . 0 0 "[ . 1 . 2]" 1
497 1 29 LYS H 1 29 LYS HG3 . . 3.160 2.384 2.145 2.526 . 0 0 "[ . 1 . 2]" 1
498 1 29 LYS H 1 30 ILE H . . 3.420 2.986 2.945 3.056 . 0 0 "[ . 1 . 2]" 1
499 1 29 LYS H 1 30 ILE MG . . 4.930 4.454 4.274 4.594 . 0 0 "[ . 1 . 2]" 1
500 1 29 LYS HA 1 29 LYS HG2 . . 3.700 2.564 2.427 2.780 . 0 0 "[ . 1 . 2]" 1
501 1 29 LYS HA 1 29 LYS HG3 . . 3.980 2.883 2.682 3.237 . 0 0 "[ . 1 . 2]" 1
502 1 29 LYS HA 1 31 GLN H . . 4.680 4.030 3.878 4.211 . 0 0 "[ . 1 . 2]" 1
503 1 29 LYS HA 1 32 ASP H . . 3.580 3.505 3.179 3.659 0.079 18 0 "[ . 1 . 2]" 1
504 1 29 LYS HA 1 32 ASP HB2 . . 4.250 3.632 2.783 4.283 0.033 12 0 "[ . 1 . 2]" 1
505 1 29 LYS HA 1 32 ASP QB . . 3.550 3.039 2.444 3.600 0.050 18 0 "[ . 1 . 2]" 1
506 1 29 LYS HA 1 32 ASP HB3 . . 4.250 3.611 2.478 4.404 0.154 8 0 "[ . 1 . 2]" 1
507 1 29 LYS HB2 1 29 LYS HD2 . . 4.150 2.712 2.352 3.665 . 0 0 "[ . 1 . 2]" 1
508 1 29 LYS HB2 1 30 ILE H . . 4.480 2.954 2.776 3.083 . 0 0 "[ . 1 . 2]" 1
509 1 29 LYS HB3 1 29 LYS QE . . 5.030 3.822 2.294 4.331 . 0 0 "[ . 1 . 2]" 1
510 1 29 LYS HB3 1 30 ILE H . . 4.750 3.691 3.521 3.929 . 0 0 "[ . 1 . 2]" 1
511 1 29 LYS HG3 1 30 ILE H . . 4.710 4.734 4.543 4.799 0.089 6 0 "[ . 1 . 2]" 1
512 1 30 ILE H 1 30 ILE HB . . 2.920 2.351 2.303 2.386 . 0 0 "[ . 1 . 2]" 1
513 1 30 ILE H 1 30 ILE MD . . 4.480 4.345 4.284 4.390 . 0 0 "[ . 1 . 2]" 1
514 1 30 ILE H 1 30 ILE HG12 . . 4.620 4.586 4.529 4.625 0.005 18 0 "[ . 1 . 2]" 1
515 1 30 ILE H 1 30 ILE HG13 . . 4.540 4.294 4.253 4.340 . 0 0 "[ . 1 . 2]" 1
516 1 30 ILE H 1 30 ILE MG . . 3.190 2.360 2.227 2.492 . 0 0 "[ . 1 . 2]" 1
517 1 30 ILE HA 1 30 ILE MD . . 4.070 3.715 3.658 3.778 . 0 0 "[ . 1 . 2]" 1
518 1 30 ILE HA 1 30 ILE HG13 . . 3.820 2.279 2.236 2.373 . 0 0 "[ . 1 . 2]" 1
519 1 30 ILE HA 1 30 ILE MG . . 3.340 3.253 3.242 3.267 . 0 0 "[ . 1 . 2]" 1
520 1 30 ILE HA 1 33 LYS H . . 4.510 3.568 3.237 3.920 . 0 0 "[ . 1 . 2]" 1
521 1 30 ILE HA 1 33 LYS HB2 . . 4.910 3.584 2.672 4.206 . 0 0 "[ . 1 . 2]" 1
522 1 30 ILE HA 1 33 LYS HB3 . . 4.650 3.362 2.794 3.840 . 0 0 "[ . 1 . 2]" 1
523 1 30 ILE HA 1 34 GLU H . . 4.930 3.702 3.487 4.219 . 0 0 "[ . 1 . 2]" 1
524 1 30 ILE HB 1 30 ILE MD . . 3.610 2.374 2.323 2.408 . 0 0 "[ . 1 . 2]" 1
525 1 30 ILE HB 1 31 GLN HE21 . . 4.880 4.973 4.927 5.013 0.133 14 0 "[ . 1 . 2]" 1
526 1 30 ILE HB 1 36 ILE H . . 5.500 5.535 5.428 5.645 0.145 4 0 "[ . 1 . 2]" 1
527 1 30 ILE MD 1 36 ILE HB . . 3.360 2.448 2.350 2.571 . 0 0 "[ . 1 . 2]" 1
528 1 30 ILE HG12 1 31 GLN HA . . 4.200 4.279 4.232 4.330 0.130 1 0 "[ . 1 . 2]" 1
529 1 30 ILE HG12 1 35 GLY H . . 5.200 4.117 3.824 4.886 . 0 0 "[ . 1 . 2]" 1
530 1 30 ILE MG 1 31 GLN H . . 3.620 2.501 2.383 2.635 . 0 0 "[ . 1 . 2]" 1
531 1 30 ILE MG 1 31 GLN HA . . 4.630 3.435 3.290 3.611 . 0 0 "[ . 1 . 2]" 1
532 1 30 ILE MG 1 31 GLN HE21 . . 4.910 2.110 2.008 2.248 . 0 0 "[ . 1 . 2]" 1
533 1 30 ILE MG 1 31 GLN HE22 . . 4.800 2.643 2.412 3.190 . 0 0 "[ . 1 . 2]" 1
534 1 30 ILE MG 1 32 ASP H . . 4.840 4.550 4.403 4.730 . 0 0 "[ . 1 . 2]" 1
535 1 30 ILE MG 1 33 LYS H . . 5.150 5.281 4.990 5.508 0.358 15 0 "[ . 1 . 2]" 1
536 1 30 ILE MG 1 34 GLU H . . 5.040 5.114 4.909 5.385 0.345 19 0 "[ . 1 . 2]" 1
537 1 30 ILE MG 1 35 GLY H . . 5.280 4.632 4.341 5.237 . 0 0 "[ . 1 . 2]" 1
538 1 30 ILE MG 1 36 ILE H . . 4.110 3.222 3.000 3.566 . 0 0 "[ . 1 . 2]" 1
539 1 30 ILE MG 1 36 ILE HB . . 3.170 2.703 2.305 3.015 . 0 0 "[ . 1 . 2]" 1
540 1 31 GLN H 1 31 GLN HB2 . . 3.220 2.370 2.275 2.470 . 0 0 "[ . 1 . 2]" 1
541 1 31 GLN H 1 31 GLN HB3 . . 3.610 3.602 3.537 3.644 0.034 7 0 "[ . 1 . 2]" 1
542 1 31 GLN H 1 31 GLN QG . . 4.860 3.341 3.114 3.545 . 0 0 "[ . 1 . 2]" 1
543 1 31 GLN H 1 32 ASP H . . 3.330 2.479 2.306 2.686 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLN H 1 32 ASP HB2 . . 5.500 4.625 4.128 5.182 . 0 0 "[ . 1 . 2]" 1
545 1 31 GLN H 1 32 ASP QB . . 4.790 4.203 4.031 4.399 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLN H 1 32 ASP HB3 . . 5.500 5.109 4.365 5.657 0.157 4 0 "[ . 1 . 2]" 1
547 1 31 GLN H 1 36 ILE H . . 5.500 4.544 4.433 4.690 . 0 0 "[ . 1 . 2]" 1
548 1 31 GLN HA 1 31 GLN HG2 . . 3.960 3.294 2.892 3.482 . 0 0 "[ . 1 . 2]" 1
549 1 31 GLN HA 1 31 GLN QG . . 3.340 2.205 2.151 2.283 . 0 0 "[ . 1 . 2]" 1
550 1 31 GLN HA 1 31 GLN HG3 . . 3.960 2.243 2.184 2.347 . 0 0 "[ . 1 . 2]" 1
551 1 31 GLN HA 1 34 GLU H . . 4.460 3.930 3.462 4.257 . 0 0 "[ . 1 . 2]" 1
552 1 31 GLN HA 1 35 GLY H . . 4.220 2.632 2.192 3.017 . 0 0 "[ . 1 . 2]" 1
553 1 31 GLN HA 1 36 ILE H . . 3.810 2.447 2.282 2.671 . 0 0 "[ . 1 . 2]" 1
554 1 31 GLN HB2 1 31 GLN HE22 . . 5.050 4.151 4.034 4.301 . 0 0 "[ . 1 . 2]" 1
555 1 31 GLN HB2 1 32 ASP H . . 3.350 2.998 2.663 3.297 . 0 0 "[ . 1 . 2]" 1
556 1 31 GLN HB3 1 31 GLN HE22 . . 5.370 5.178 5.034 5.274 . 0 0 "[ . 1 . 2]" 1
557 1 31 GLN HB3 1 32 ASP H . . 3.690 3.659 3.330 3.794 0.104 15 0 "[ . 1 . 2]" 1
558 1 31 GLN HB3 1 37 PRO HA . . 4.910 4.893 4.773 4.964 0.054 11 0 "[ . 1 . 2]" 1
559 1 31 GLN HE21 1 36 ILE HA . . 5.270 5.036 4.958 5.247 . 0 0 "[ . 1 . 2]" 1
560 1 31 GLN HE21 1 37 PRO HA . . 4.810 2.665 2.513 2.797 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLN HE21 1 38 PRO HD2 . . 5.500 4.451 4.269 4.851 . 0 0 "[ . 1 . 2]" 1
562 1 31 GLN HE21 1 38 PRO HD3 . . 5.230 3.301 3.087 3.642 . 0 0 "[ . 1 . 2]" 1
563 1 31 GLN HE22 1 31 GLN QG . . 3.450 3.295 3.240 3.341 . 0 0 "[ . 1 . 2]" 1
564 1 31 GLN HE22 1 37 PRO HA . . 4.550 3.562 3.303 3.843 . 0 0 "[ . 1 . 2]" 1
565 1 31 GLN HE22 1 38 PRO HA . . 5.500 5.545 5.424 5.586 0.086 12 0 "[ . 1 . 2]" 1
566 1 31 GLN HE22 1 38 PRO HD2 . . 5.500 4.404 3.906 4.978 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLN HE22 1 38 PRO HD3 . . 5.500 2.935 2.570 3.317 . 0 0 "[ . 1 . 2]" 1
568 1 31 GLN QG 1 32 ASP H . . 5.110 4.601 4.463 4.701 . 0 0 "[ . 1 . 2]" 1
569 1 31 GLN QG 1 35 GLY H . . 5.340 4.424 3.962 4.870 . 0 0 "[ . 1 . 2]" 1
570 1 31 GLN HG2 1 36 ILE H . . 5.500 4.651 3.387 5.382 . 0 0 "[ . 1 . 2]" 1
571 1 31 GLN HG3 1 36 ILE H . . 5.500 3.149 2.585 3.721 . 0 0 "[ . 1 . 2]" 1
572 1 32 ASP H 1 32 ASP QB . . 2.820 2.157 2.077 2.265 . 0 0 "[ . 1 . 2]" 1
573 1 32 ASP H 1 33 LYS H . . 3.570 2.638 2.342 2.864 . 0 0 "[ . 1 . 2]" 1
574 1 32 ASP H 1 33 LYS HB3 . . 5.500 5.409 4.994 5.596 0.096 20 0 "[ . 1 . 2]" 1
575 1 32 ASP H 1 33 LYS QG . . 5.500 5.990 5.136 6.442 0.942 1 11 "[+-* .*** * * .*** 2]" 1
576 1 32 ASP QB 1 33 LYS H . . 3.280 2.782 2.406 3.536 0.256 4 0 "[ . 1 . 2]" 1
577 1 33 LYS H 1 33 LYS HB2 . . 3.960 2.226 2.011 2.526 . 0 0 "[ . 1 . 2]" 1
578 1 33 LYS H 1 33 LYS HB3 . . 3.370 2.973 2.620 3.370 0.000 20 0 "[ . 1 . 2]" 1
579 1 33 LYS H 1 33 LYS QD . . 5.010 4.579 4.202 4.940 . 0 0 "[ . 1 . 2]" 1
580 1 33 LYS H 1 33 LYS QG . . 3.960 3.779 3.151 4.041 0.081 4 0 "[ . 1 . 2]" 1
581 1 33 LYS H 1 34 GLU H . . 3.440 2.732 2.291 2.938 . 0 0 "[ . 1 . 2]" 1
582 1 33 LYS HA 1 33 LYS QD . . 3.880 3.109 2.135 4.080 0.200 3 0 "[ . 1 . 2]" 1
583 1 33 LYS HA 1 33 LYS QG . . 3.780 2.313 2.127 2.600 . 0 0 "[ . 1 . 2]" 1
584 1 33 LYS HB2 1 34 GLU H . . 3.630 3.640 2.936 3.752 0.122 1 0 "[ . 1 . 2]" 1
585 1 33 LYS HB3 1 33 LYS QE . . 4.660 3.907 2.609 4.255 . 0 0 "[ . 1 . 2]" 1
586 1 33 LYS HB3 1 34 GLU H . . 3.530 2.849 2.521 3.365 . 0 0 "[ . 1 . 2]" 1
587 1 34 GLU H 1 34 GLU HB2 . . 3.720 3.094 2.781 3.325 . 0 0 "[ . 1 . 2]" 1
588 1 34 GLU H 1 34 GLU QB . . 3.190 2.558 2.487 2.676 . 0 0 "[ . 1 . 2]" 1
589 1 34 GLU H 1 34 GLU HB3 . . 3.720 2.740 2.587 2.925 . 0 0 "[ . 1 . 2]" 1
590 1 34 GLU H 1 34 GLU HG2 . . 4.830 4.903 4.850 4.955 0.125 9 0 "[ . 1 . 2]" 1
591 1 34 GLU H 1 34 GLU HG3 . . 4.730 4.569 4.382 4.671 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLU H 1 36 ILE H . . 4.880 4.094 3.715 4.459 . 0 0 "[ . 1 . 2]" 1
593 1 34 GLU HA 1 34 GLU HG2 . . 4.210 3.787 3.657 3.884 . 0 0 "[ . 1 . 2]" 1
594 1 34 GLU HA 1 34 GLU HG3 . . 4.190 3.052 2.479 3.408 . 0 0 "[ . 1 . 2]" 1
595 1 34 GLU QB 1 36 ILE H . . 4.810 3.723 3.494 3.990 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLU QB 1 36 ILE MD . . 3.380 3.329 2.632 3.760 0.380 2 0 "[ . 1 . 2]" 1
597 1 34 GLU QB 1 36 ILE QG . . 4.110 2.863 2.395 3.298 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLU HB2 1 35 GLY H . . 4.640 4.110 3.572 4.555 . 0 0 "[ . 1 . 2]" 1
599 1 34 GLU HB2 1 36 ILE H . . 5.500 5.438 5.196 5.567 0.067 18 0 "[ . 1 . 2]" 1
600 1 34 GLU HB2 1 36 ILE MD . . 4.120 4.483 3.625 4.959 0.839 16 8 "[ * .** 1 * *+ *-]" 1
601 1 34 GLU HB3 1 35 GLY H . . 4.640 3.007 2.345 3.999 . 0 0 "[ . 1 . 2]" 1
602 1 34 GLU HB3 1 36 ILE H . . 5.500 3.792 3.551 4.093 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLU HB3 1 36 ILE MD . . 4.120 3.436 2.703 3.937 . 0 0 "[ . 1 . 2]" 1
604 1 34 GLU HG2 1 36 ILE H . . 5.500 5.399 5.003 5.585 0.085 20 0 "[ . 1 . 2]" 1
605 1 34 GLU HG2 1 36 ILE MD . . 3.570 2.941 2.236 3.440 . 0 0 "[ . 1 . 2]" 1
606 1 34 GLU HG3 1 35 GLY H . . 4.820 4.160 3.315 4.858 0.038 20 0 "[ . 1 . 2]" 1
607 1 34 GLU HG3 1 36 ILE H . . 5.500 4.725 4.031 5.536 0.036 4 0 "[ . 1 . 2]" 1
608 1 35 GLY H 1 36 ILE H . . 3.740 2.528 2.256 3.013 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLY H 1 36 ILE MD . . 5.050 4.770 4.279 5.249 0.199 6 0 "[ . 1 . 2]" 1
610 1 36 ILE H 1 36 ILE HB . . 3.900 2.546 2.417 2.666 . 0 0 "[ . 1 . 2]" 1
611 1 36 ILE H 1 36 ILE MD . . 4.620 3.707 3.272 4.063 . 0 0 "[ . 1 . 2]" 1
612 1 36 ILE H 1 36 ILE HG12 . . 4.380 3.365 2.261 4.025 . 0 0 "[ . 1 . 2]" 1
613 1 36 ILE H 1 36 ILE QG . . 3.690 2.555 2.243 2.763 . 0 0 "[ . 1 . 2]" 1
614 1 36 ILE H 1 36 ILE HG13 . . 4.380 3.091 2.572 3.953 . 0 0 "[ . 1 . 2]" 1
615 1 36 ILE H 1 37 PRO HD3 . . 5.490 3.993 3.718 4.293 . 0 0 "[ . 1 . 2]" 1
616 1 36 ILE HA 1 36 ILE MD . . 3.910 3.312 2.265 3.902 . 0 0 "[ . 1 . 2]" 1
617 1 36 ILE HA 1 36 ILE QG . . 3.640 2.654 2.345 3.157 . 0 0 "[ . 1 . 2]" 1
618 1 36 ILE HA 1 36 ILE MG . . 3.290 2.448 2.341 2.554 . 0 0 "[ . 1 . 2]" 1
619 1 36 ILE HA 1 37 PRO HD2 . . 3.320 2.227 2.169 2.279 . 0 0 "[ . 1 . 2]" 1
620 1 36 ILE HA 1 37 PRO HD3 . . 3.080 2.769 2.657 2.955 . 0 0 "[ . 1 . 2]" 1
621 1 36 ILE HA 1 41 ASN QD . . 4.300 3.228 2.637 4.220 . 0 0 "[ . 1 . 2]" 1
622 1 36 ILE MG 1 37 PRO HD2 . . 3.740 3.579 3.381 3.767 0.027 17 0 "[ . 1 . 2]" 1
623 1 36 ILE MG 1 37 PRO HD3 . . 4.650 4.458 4.319 4.615 . 0 0 "[ . 1 . 2]" 1
624 1 36 ILE MG 1 41 ASN HD21 . . 3.970 2.860 2.204 3.294 . 0 0 "[ . 1 . 2]" 1
625 1 36 ILE MG 1 41 ASN QD . . 3.240 2.330 2.074 2.994 . 0 0 "[ . 1 . 2]" 1
626 1 36 ILE MG 1 41 ASN HD22 . . 3.970 2.614 2.121 4.130 0.160 2 0 "[ . 1 . 2]" 1
627 1 37 PRO HA 1 38 PRO HD2 . . 2.990 2.473 2.382 2.715 . 0 0 "[ . 1 . 2]" 1
628 1 37 PRO HA 1 38 PRO HD3 . . 3.360 2.462 2.344 2.553 . 0 0 "[ . 1 . 2]" 1
629 1 37 PRO HA 1 39 ASP H . . 5.190 4.301 4.108 4.620 . 0 0 "[ . 1 . 2]" 1
630 1 37 PRO QB 1 38 PRO HD3 . . 4.180 3.579 3.330 3.668 . 0 0 "[ . 1 . 2]" 1
631 1 37 PRO QB 1 39 ASP H . . 4.250 2.682 2.409 3.016 . 0 0 "[ . 1 . 2]" 1
632 1 37 PRO QB 1 40 GLN H . . 5.010 4.067 3.686 4.756 . 0 0 "[ . 1 . 2]" 1
633 1 37 PRO HB2 1 39 ASP H . . 4.890 2.705 2.424 3.048 . 0 0 "[ . 1 . 2]" 1
634 1 37 PRO HB3 1 39 ASP H . . 4.890 4.441 4.177 4.800 . 0 0 "[ . 1 . 2]" 1
635 1 37 PRO HD2 1 40 GLN QB . . 4.760 3.310 2.664 3.854 . 0 0 "[ . 1 . 2]" 1
636 1 37 PRO HD2 1 41 ASN HD21 . . 5.500 3.605 2.990 4.235 . 0 0 "[ . 1 . 2]" 1
637 1 37 PRO HD2 1 41 ASN HD22 . . 5.500 3.100 2.118 5.510 0.010 13 0 "[ . 1 . 2]" 1
638 1 38 PRO HB3 1 39 ASP H . . 4.600 4.313 4.169 4.532 . 0 0 "[ . 1 . 2]" 1
639 1 38 PRO HD2 1 39 ASP H . . 5.120 2.882 2.784 3.002 . 0 0 "[ . 1 . 2]" 1
640 1 38 PRO HD2 1 40 GLN H . . 5.500 5.174 4.787 5.486 . 0 0 "[ . 1 . 2]" 1
641 1 38 PRO HD3 1 39 ASP H . . 3.990 4.009 3.958 4.073 0.083 10 0 "[ . 1 . 2]" 1
642 1 38 PRO HG2 1 39 ASP H . . 3.560 2.551 2.270 3.082 . 0 0 "[ . 1 . 2]" 1
643 1 39 ASP H 1 39 ASP QB . . 3.200 2.392 2.091 2.845 . 0 0 "[ . 1 . 2]" 1
644 1 39 ASP H 1 40 GLN H . . 4.100 2.932 2.630 3.229 . 0 0 "[ . 1 . 2]" 1
645 1 39 ASP H 1 40 GLN QB . . 4.560 4.410 4.060 4.705 0.145 20 0 "[ . 1 . 2]" 1
646 1 39 ASP QB 1 40 GLN H . . 4.410 3.439 2.674 3.975 . 0 0 "[ . 1 . 2]" 1
647 1 39 ASP HB2 1 40 GLN H . . 5.110 3.737 2.727 4.453 . 0 0 "[ . 1 . 2]" 1
648 1 39 ASP HB3 1 40 GLN H . . 5.110 4.130 3.366 4.509 . 0 0 "[ . 1 . 2]" 1
649 1 40 GLN H 1 40 GLN QB . . 3.410 2.450 2.212 2.948 . 0 0 "[ . 1 . 2]" 1
650 1 40 GLN HA 1 40 GLN HE22 . . 5.270 4.809 3.136 5.634 0.364 15 0 "[ . 1 . 2]" 1
651 1 40 GLN HA 1 40 GLN HG2 . . 3.760 2.970 2.217 3.832 0.072 10 0 "[ . 1 . 2]" 1
652 1 40 GLN HA 1 40 GLN HG3 . . 3.760 3.150 2.394 3.623 . 0 0 "[ . 1 . 2]" 1
653 1 40 GLN HA 1 41 ASN QD . . 5.130 4.424 4.095 4.887 . 0 0 "[ . 1 . 2]" 1
654 1 40 GLN HA 1 71 LEU QD . . 4.570 3.823 3.370 4.434 . 0 0 "[ . 1 . 2]" 1
655 1 40 GLN HA 1 72 ARG H . . 5.390 4.113 3.818 4.398 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLN HA 1 72 ARG QD . . 5.180 4.267 2.933 5.200 0.020 16 0 "[ . 1 . 2]" 1
657 1 40 GLN QB 1 40 GLN HE22 . . 4.190 4.058 3.385 4.386 0.196 7 0 "[ . 1 . 2]" 1
658 1 40 GLN QB 1 41 ASN QD . . 4.010 2.243 1.811 2.768 . 0 0 "[ . 1 . 2]" 1
659 1 40 GLN HB2 1 41 ASN HD21 . . 5.500 4.140 3.551 4.884 . 0 0 "[ . 1 . 2]" 1
660 1 40 GLN HB2 1 41 ASN HD22 . . 5.500 4.542 3.961 5.259 . 0 0 "[ . 1 . 2]" 1
661 1 40 GLN HB3 1 41 ASN HD21 . . 5.500 2.465 1.830 3.262 . 0 0 "[ . 1 . 2]" 1
662 1 40 GLN HB3 1 41 ASN HD22 . . 5.500 2.963 2.366 4.055 . 0 0 "[ . 1 . 2]" 1
663 1 40 GLN HE21 1 71 LEU QD . . 4.830 3.166 1.980 4.749 . 0 0 "[ . 1 . 2]" 1
664 1 40 GLN HE22 1 71 LEU QD . . 4.950 3.453 2.221 5.213 0.263 16 0 "[ . 1 . 2]" 1
665 1 40 GLN QG 1 41 ASN QD . . 5.180 3.305 2.020 3.876 . 0 0 "[ . 1 . 2]" 1
666 1 40 GLN QG 1 71 LEU QD . . 4.140 3.039 2.456 3.606 . 0 0 "[ . 1 . 2]" 1
667 1 41 ASN H 1 41 ASN QB . . 3.590 3.198 2.627 3.460 . 0 0 "[ . 1 . 2]" 1
668 1 41 ASN H 1 42 ARG H . . 4.690 4.477 4.436 4.527 . 0 0 "[ . 1 . 2]" 1
669 1 41 ASN H 1 72 ARG QD . . 5.500 3.976 2.859 4.891 . 0 0 "[ . 1 . 2]" 1
670 1 41 ASN HA 1 41 ASN HD22 . . 5.350 5.005 4.537 5.203 . 0 0 "[ . 1 . 2]" 1
671 1 41 ASN HA 1 42 ARG H . . 3.190 2.617 2.491 2.697 . 0 0 "[ . 1 . 2]" 1
672 1 41 ASN HA 1 71 LEU HA . . 3.760 2.118 1.998 2.312 . 0 0 "[ . 1 . 2]" 1
673 1 41 ASN HA 1 72 ARG H . . 3.570 2.452 2.254 2.690 . 0 0 "[ . 1 . 2]" 1
674 1 41 ASN HA 1 72 ARG QD . . 5.200 4.675 3.341 5.500 0.300 13 0 "[ . 1 . 2]" 1
675 1 41 ASN HA 1 72 ARG QG . . 4.910 4.164 2.894 5.309 0.399 13 0 "[ . 1 . 2]" 1
676 1 41 ASN QB 1 41 ASN QD . . 2.980 2.382 2.131 2.870 . 0 0 "[ . 1 . 2]" 1
677 1 41 ASN QB 1 42 ARG H . . 3.240 2.414 2.144 2.596 . 0 0 "[ . 1 . 2]" 1
678 1 41 ASN QB 1 69 LEU MD1 . . 3.900 2.096 2.018 2.169 . 0 0 "[ . 1 . 2]" 1
679 1 41 ASN QB 1 70 VAL H . . 4.080 4.043 3.837 4.210 0.130 17 0 "[ . 1 . 2]" 1
680 1 41 ASN HB2 1 42 ARG H . . 4.100 2.588 2.296 3.770 . 0 0 "[ . 1 . 2]" 1
681 1 41 ASN HB2 1 71 LEU HA . . 5.500 3.468 3.091 4.090 . 0 0 "[ . 1 . 2]" 1
682 1 41 ASN HB3 1 42 ARG H . . 4.100 3.501 2.168 3.955 . 0 0 "[ . 1 . 2]" 1
683 1 41 ASN HB3 1 71 LEU HA . . 5.500 2.762 2.078 3.542 . 0 0 "[ . 1 . 2]" 1
684 1 41 ASN QD 1 69 LEU MD1 . . 4.260 3.958 3.643 4.243 . 0 0 "[ . 1 . 2]" 1
685 1 41 ASN QD 1 69 LEU MD2 . . 4.490 3.983 3.339 4.504 0.014 18 0 "[ . 1 . 2]" 1
686 1 41 ASN QD 1 71 LEU HA . . 5.340 4.834 3.656 5.234 . 0 0 "[ . 1 . 2]" 1
687 1 41 ASN HD21 1 69 LEU MD1 . . 4.980 4.342 3.838 4.629 . 0 0 "[ . 1 . 2]" 1
688 1 41 ASN HD21 1 69 LEU MD2 . . 5.110 4.388 3.806 5.166 0.056 18 0 "[ . 1 . 2]" 1
689 1 41 ASN HD22 1 69 LEU MD1 . . 4.980 4.612 4.307 5.045 0.065 2 0 "[ . 1 . 2]" 1
690 1 41 ASN HD22 1 69 LEU MD2 . . 5.110 4.617 3.622 5.215 0.105 14 0 "[ . 1 . 2]" 1
691 1 42 ARG H 1 42 ARG QB . . 3.640 3.002 2.686 3.490 . 0 0 "[ . 1 . 2]" 1
692 1 42 ARG H 1 42 ARG QD . . 5.000 4.702 3.054 5.439 0.439 12 0 "[ . 1 . 2]" 1
693 1 42 ARG H 1 42 ARG QG . . 4.110 3.546 2.366 4.322 0.212 1 0 "[ . 1 . 2]" 1
694 1 42 ARG H 1 69 LEU HA . . 4.960 4.593 4.468 4.683 . 0 0 "[ . 1 . 2]" 1
695 1 42 ARG H 1 69 LEU MD1 . . 5.010 2.572 2.419 2.683 . 0 0 "[ . 1 . 2]" 1
696 1 42 ARG H 1 69 LEU MD2 . . 4.570 4.401 4.282 4.515 . 0 0 "[ . 1 . 2]" 1
697 1 42 ARG H 1 70 VAL H . . 3.510 2.891 2.766 2.973 . 0 0 "[ . 1 . 2]" 1
698 1 42 ARG H 1 70 VAL QG . . 3.900 3.545 2.706 4.391 0.491 2 0 "[ . 1 . 2]" 1
699 1 42 ARG HA 1 42 ARG QD . . 4.080 4.056 3.823 4.336 0.256 2 0 "[ . 1 . 2]" 1
700 1 42 ARG HA 1 42 ARG QG . . 3.970 2.740 2.177 3.566 . 0 0 "[ . 1 . 2]" 1
701 1 42 ARG HA 1 43 LEU H . . 3.020 2.165 2.077 2.276 . 0 0 "[ . 1 . 2]" 1
702 1 42 ARG HA 1 43 LEU QB . . 4.860 4.230 3.793 4.633 . 0 0 "[ . 1 . 2]" 1
703 1 42 ARG QB 1 42 ARG QD . . 3.300 2.157 2.071 2.439 . 0 0 "[ . 1 . 2]" 1
704 1 42 ARG QB 1 43 LEU H . . 3.500 3.284 2.838 3.854 0.354 1 0 "[ . 1 . 2]" 1
705 1 42 ARG QB 1 44 ILE MD . . 3.810 3.582 2.965 4.235 0.425 15 0 "[ . 1 . 2]" 1
706 1 42 ARG QB 1 70 VAL QG . . 3.830 3.462 2.247 5.087 1.257 2 8 "[ +* .* * * -* * 2]" 1
707 1 42 ARG QD 1 43 LEU H . . 4.720 4.930 4.228 5.455 0.735 10 1 "[ . + . 2]" 1
708 1 42 ARG QD 1 44 ILE MD . . 4.240 3.889 3.394 4.429 0.189 7 0 "[ . 1 . 2]" 1
709 1 42 ARG QD 1 70 VAL QG . . 4.190 4.145 3.189 5.070 0.880 12 2 "[ - . 1 + . 2]" 1
710 1 42 ARG QG 1 43 LEU H . . 4.610 3.456 2.324 4.246 . 0 0 "[ . 1 . 2]" 1
711 1 42 ARG QG 1 43 LEU HA . . 5.050 5.006 4.542 6.029 0.979 4 3 "[ +* 1- . 2]" 1
712 1 42 ARG QG 1 70 VAL QG . . 3.960 3.784 2.970 4.662 0.702 4 1 "[ +. 1 . 2]" 1
713 1 43 LEU H 1 43 LEU QB . . 3.030 2.262 2.112 2.663 . 0 0 "[ . 1 . 2]" 1
714 1 43 LEU H 1 43 LEU QD . . 4.890 2.647 2.146 3.651 . 0 0 "[ . 1 . 2]" 1
715 1 43 LEU H 1 50 LEU MD1 . . 5.500 5.282 4.955 5.597 0.097 20 0 "[ . 1 . 2]" 1
716 1 43 LEU H 1 70 VAL QG . . 5.320 5.307 4.551 6.236 0.916 2 6 "[ +* .* * - * 2]" 1
717 1 43 LEU HA 1 43 LEU MD1 . . 3.990 2.591 2.130 3.919 . 0 0 "[ . 1 . 2]" 1
718 1 43 LEU HA 1 43 LEU QD . . 3.200 2.194 1.988 2.814 . 0 0 "[ . 1 . 2]" 1
719 1 43 LEU HA 1 43 LEU MD2 . . 3.990 2.907 2.148 3.919 . 0 0 "[ . 1 . 2]" 1
720 1 43 LEU HA 1 44 ILE H . . 2.900 2.123 2.096 2.169 . 0 0 "[ . 1 . 2]" 1
721 1 43 LEU HA 1 44 ILE HB . . 4.880 4.682 4.628 4.726 . 0 0 "[ . 1 . 2]" 1
722 1 43 LEU HA 1 44 ILE HG12 . . 5.360 3.883 3.688 3.986 . 0 0 "[ . 1 . 2]" 1
723 1 43 LEU HA 1 50 LEU MD1 . . 5.220 4.896 4.412 5.250 0.030 14 0 "[ . 1 . 2]" 1
724 1 43 LEU QB 1 43 LEU QD . . 2.830 2.020 1.923 2.092 . 0 0 "[ . 1 . 2]" 1
725 1 43 LEU QB 1 50 LEU MD1 . . 3.860 2.667 2.136 3.446 . 0 0 "[ . 1 . 2]" 1
726 1 43 LEU HB2 1 44 ILE H . . 4.770 4.372 4.081 4.490 . 0 0 "[ . 1 . 2]" 1
727 1 43 LEU HB2 1 50 LEU MD1 . . 4.410 3.488 2.942 4.671 0.261 12 0 "[ . 1 . 2]" 1
728 1 43 LEU HB3 1 44 ILE H . . 4.770 3.489 3.086 4.308 . 0 0 "[ . 1 . 2]" 1
729 1 43 LEU HB3 1 50 LEU MD1 . . 4.410 2.805 2.170 3.551 . 0 0 "[ . 1 . 2]" 1
730 1 43 LEU QD 1 44 ILE H . . 3.860 3.423 2.887 4.132 0.272 1 0 "[ . 1 . 2]" 1
731 1 43 LEU QD 1 69 LEU HA . . 3.840 3.327 2.989 4.055 0.215 1 0 "[ . 1 . 2]" 1
732 1 43 LEU QD 1 70 VAL H . . 4.720 4.311 4.077 4.796 0.076 20 0 "[ . 1 . 2]" 1
733 1 44 ILE H 1 44 ILE HB . . 3.570 2.639 2.584 2.707 . 0 0 "[ . 1 . 2]" 1
734 1 44 ILE H 1 44 ILE MD . . 4.440 3.612 3.494 3.714 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE H 1 44 ILE HG12 . . 4.090 2.683 2.515 2.744 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE H 1 44 ILE HG13 . . 4.110 4.071 3.966 4.122 0.012 16 0 "[ . 1 . 2]" 1
737 1 44 ILE H 1 44 ILE MG . . 3.920 3.928 3.909 3.953 0.033 14 0 "[ . 1 . 2]" 1
738 1 44 ILE H 1 45 PHE H . . 5.130 4.610 4.574 4.639 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE H 1 49 GLN HA . . 5.500 5.600 5.522 5.698 0.198 17 0 "[ . 1 . 2]" 1
740 1 44 ILE H 1 50 LEU MD1 . . 5.500 4.810 4.385 5.079 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE H 1 67 LEU QD . . 4.930 4.382 4.114 4.780 . 0 0 "[ . 1 . 2]" 1
742 1 44 ILE H 1 68 HIS QB . . 4.500 3.683 3.466 3.834 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE H 1 69 LEU H . . 5.280 4.509 4.255 4.823 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE H 1 69 LEU HA . . 4.160 2.662 2.530 3.036 . 0 0 "[ . 1 . 2]" 1
745 1 44 ILE H 1 69 LEU MD1 . . 5.500 3.826 3.524 4.234 . 0 0 "[ . 1 . 2]" 1
746 1 44 ILE HA 1 44 ILE MD . . 3.790 2.249 2.176 2.324 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE HA 1 44 ILE MG . . 3.460 2.410 2.368 2.450 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE HA 1 45 PHE H . . 2.960 2.255 2.160 2.321 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE HA 1 49 GLN HA . . 3.730 2.883 2.791 3.069 . 0 0 "[ . 1 . 2]" 1
750 1 44 ILE HA 1 50 LEU MD1 . . 4.510 4.238 3.846 4.500 . 0 0 "[ . 1 . 2]" 1
751 1 44 ILE HA 1 50 LEU MD2 . . 4.650 4.780 4.565 4.948 0.298 17 0 "[ . 1 . 2]" 1
752 1 44 ILE HA 1 50 LEU HG . . 4.330 3.583 3.302 3.862 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE HB 1 45 PHE H . . 4.230 4.027 3.915 4.137 . 0 0 "[ . 1 . 2]" 1
754 1 44 ILE HB 1 68 HIS QB . . 3.810 2.272 2.154 2.363 . 0 0 "[ . 1 . 2]" 1
755 1 44 ILE MD 1 47 GLY HA2 . . 5.020 4.736 4.115 5.169 0.149 9 0 "[ . 1 . 2]" 1
756 1 44 ILE MD 1 49 GLN H . . 5.190 4.252 3.950 4.482 . 0 0 "[ . 1 . 2]" 1
757 1 44 ILE MD 1 49 GLN HA . . 3.360 2.646 2.478 2.860 . 0 0 "[ . 1 . 2]" 1
758 1 44 ILE MD 1 49 GLN HG2 . . 4.200 2.863 2.082 4.342 0.142 4 0 "[ . 1 . 2]" 1
759 1 44 ILE MD 1 49 GLN QG . . 3.530 2.377 2.032 2.876 . 0 0 "[ . 1 . 2]" 1
760 1 44 ILE MD 1 49 GLN HG3 . . 4.200 3.148 2.184 4.042 . 0 0 "[ . 1 . 2]" 1
761 1 44 ILE MD 1 50 LEU H . . 3.930 4.060 3.784 4.278 0.348 14 0 "[ . 1 . 2]" 1
762 1 44 ILE MD 1 68 HIS QB . . 5.240 4.825 4.707 4.915 . 0 0 "[ . 1 . 2]" 1
763 1 44 ILE MD 1 70 VAL H . . 4.870 4.378 4.074 4.708 . 0 0 "[ . 1 . 2]" 1
764 1 44 ILE MD 1 70 VAL QG . . 2.850 2.559 2.307 3.070 0.220 10 0 "[ . 1 . 2]" 1
765 1 44 ILE HG12 1 49 GLN HA . . 5.240 5.149 5.023 5.293 0.053 14 0 "[ . 1 . 2]" 1
766 1 44 ILE HG12 1 68 HIS QB . . 4.400 4.087 3.899 4.166 . 0 0 "[ . 1 . 2]" 1
767 1 44 ILE HG12 1 70 VAL H . . 4.590 3.247 2.944 3.602 . 0 0 "[ . 1 . 2]" 1
768 1 44 ILE HG13 1 49 GLN HA . . 5.500 5.448 5.267 5.574 0.074 16 0 "[ . 1 . 2]" 1
769 1 44 ILE HG13 1 68 HIS QB . . 4.670 4.029 3.845 4.234 . 0 0 "[ . 1 . 2]" 1
770 1 44 ILE MG 1 45 PHE H . . 3.220 2.441 2.365 2.546 . 0 0 "[ . 1 . 2]" 1
771 1 44 ILE MG 1 45 PHE HA . . 4.360 3.314 3.106 3.535 . 0 0 "[ . 1 . 2]" 1
772 1 44 ILE MG 1 47 GLY H . . 3.640 2.427 2.128 2.786 . 0 0 "[ . 1 . 2]" 1
773 1 44 ILE MG 1 47 GLY HA2 . . 3.590 2.698 2.355 3.088 . 0 0 "[ . 1 . 2]" 1
774 1 44 ILE MG 1 47 GLY HA3 . . 4.070 3.953 3.627 4.326 0.256 5 0 "[ . 1 . 2]" 1
775 1 44 ILE MG 1 48 LYS H . . 3.430 3.394 2.727 3.663 0.233 3 0 "[ . 1 . 2]" 1
776 1 44 ILE MG 1 49 GLN H . . 4.800 4.470 4.188 4.882 0.082 6 0 "[ . 1 . 2]" 1
777 1 44 ILE MG 1 49 GLN HA . . 3.730 3.640 3.331 4.084 0.354 10 0 "[ . 1 . 2]" 1
778 1 44 ILE MG 1 68 HIS QB . . 4.620 3.078 2.895 3.372 . 0 0 "[ . 1 . 2]" 1
779 1 45 PHE H 1 45 PHE HB2 . . 3.940 3.496 3.263 3.602 . 0 0 "[ . 1 . 2]" 1
780 1 45 PHE H 1 45 PHE HB3 . . 3.630 2.853 2.704 2.975 . 0 0 "[ . 1 . 2]" 1
781 1 45 PHE H 1 45 PHE QD . . 4.980 4.311 4.220 4.445 . 0 0 "[ . 1 . 2]" 1
782 1 45 PHE H 1 48 LYS H . . 3.780 3.562 2.935 3.801 0.021 3 0 "[ . 1 . 2]" 1
783 1 45 PHE H 1 48 LYS HB2 . . 5.190 4.464 3.811 5.217 0.027 13 0 "[ . 1 . 2]" 1
784 1 45 PHE H 1 48 LYS QB . . 4.450 3.889 3.678 4.183 . 0 0 "[ . 1 . 2]" 1
785 1 45 PHE H 1 48 LYS HB3 . . 5.190 4.493 3.788 4.953 . 0 0 "[ . 1 . 2]" 1
786 1 45 PHE H 1 49 GLN HA . . 4.440 3.714 3.533 3.975 . 0 0 "[ . 1 . 2]" 1
787 1 45 PHE H 1 50 LEU H . . 5.080 5.069 4.760 5.167 0.087 18 0 "[ . 1 . 2]" 1
788 1 45 PHE H 1 50 LEU MD1 . . 4.100 3.935 3.532 4.187 0.087 20 0 "[ . 1 . 2]" 1
789 1 45 PHE H 1 50 LEU MD2 . . 3.750 3.804 3.519 3.985 0.235 20 0 "[ . 1 . 2]" 1
790 1 45 PHE H 1 50 LEU HG . . 3.900 3.331 3.032 3.499 . 0 0 "[ . 1 . 2]" 1
791 1 45 PHE H 1 68 HIS H . . 5.500 4.834 4.745 4.963 . 0 0 "[ . 1 . 2]" 1
792 1 45 PHE HA 1 45 PHE QD . . 3.700 2.908 2.652 3.080 . 0 0 "[ . 1 . 2]" 1
793 1 45 PHE HA 1 45 PHE QE . . 5.060 4.839 4.619 4.957 . 0 0 "[ . 1 . 2]" 1
794 1 45 PHE HA 1 46 ALA HA . . 5.500 4.289 4.242 4.337 . 0 0 "[ . 1 . 2]" 1
795 1 45 PHE HA 1 46 ALA MB . . 4.830 4.088 3.993 4.226 . 0 0 "[ . 1 . 2]" 1
796 1 45 PHE HA 1 50 LEU MD1 . . 5.410 4.453 4.127 4.750 . 0 0 "[ . 1 . 2]" 1
797 1 45 PHE HA 1 50 LEU MD2 . . 4.970 4.913 4.778 5.040 0.070 18 0 "[ . 1 . 2]" 1
798 1 45 PHE HA 1 61 ILE MD . . 5.500 5.424 5.087 5.665 0.165 2 0 "[ . 1 . 2]" 1
799 1 45 PHE HA 1 67 LEU QD . . 4.930 4.092 3.048 4.435 . 0 0 "[ . 1 . 2]" 1
800 1 45 PHE HB2 1 50 LEU MD1 . . 3.520 2.645 2.254 3.046 . 0 0 "[ . 1 . 2]" 1
801 1 45 PHE HB2 1 50 LEU MD2 . . 3.600 3.588 2.863 3.866 0.266 2 0 "[ . 1 . 2]" 1
802 1 45 PHE HB2 1 61 ILE MD . . 4.090 3.585 3.237 3.890 . 0 0 "[ . 1 . 2]" 1
803 1 45 PHE HB2 1 67 LEU QD . . 3.790 2.574 2.070 2.934 . 0 0 "[ . 1 . 2]" 1
804 1 45 PHE HB2 1 67 LEU HG . . 4.020 2.623 2.233 4.058 0.038 19 0 "[ . 1 . 2]" 1
805 1 45 PHE HB3 1 48 LYS H . . 5.500 4.949 4.322 5.328 . 0 0 "[ . 1 . 2]" 1
806 1 45 PHE HB3 1 50 LEU MD1 . . 3.730 2.486 2.277 3.078 . 0 0 "[ . 1 . 2]" 1
807 1 45 PHE HB3 1 50 LEU MD2 . . 3.380 2.308 2.241 2.412 . 0 0 "[ . 1 . 2]" 1
808 1 45 PHE HB3 1 61 ILE MD . . 4.280 3.361 3.200 3.788 . 0 0 "[ . 1 . 2]" 1
809 1 45 PHE HB3 1 67 LEU QD . . 4.420 3.507 3.147 3.740 . 0 0 "[ . 1 . 2]" 1
810 1 45 PHE QD 1 46 ALA MB . . 4.080 3.297 2.986 3.576 . 0 0 "[ . 1 . 2]" 1
811 1 45 PHE QD 1 50 LEU MD1 . . 4.130 3.893 3.672 4.033 . 0 0 "[ . 1 . 2]" 1
812 1 45 PHE QD 1 50 LEU MD2 . . 4.490 2.987 2.569 3.375 . 0 0 "[ . 1 . 2]" 1
813 1 45 PHE QD 1 59 TYR HB2 . . 4.820 5.006 4.469 5.344 0.524 14 1 "[ . 1 +. 2]" 1
814 1 45 PHE QD 1 61 ILE MD . . 4.390 3.427 3.211 3.746 . 0 0 "[ . 1 . 2]" 1
815 1 45 PHE QD 1 61 ILE HG12 . . 4.560 3.322 2.931 3.632 . 0 0 "[ . 1 . 2]" 1
816 1 45 PHE QD 1 61 ILE MG . . 4.600 3.821 3.481 4.071 . 0 0 "[ . 1 . 2]" 1
817 1 45 PHE QD 1 65 SER QB . . 4.570 3.958 3.353 5.138 0.568 6 1 "[ .+ 1 . 2]" 1
818 1 45 PHE QD 1 66 THR H . . 5.020 4.737 3.962 5.471 0.451 20 0 "[ . 1 . 2]" 1
819 1 45 PHE QD 1 67 LEU HA . . 4.210 2.605 2.306 3.088 . 0 0 "[ . 1 . 2]" 1
820 1 45 PHE QD 1 67 LEU QD . . 3.760 3.347 2.498 3.761 0.001 6 0 "[ . 1 . 2]" 1
821 1 45 PHE QD 1 67 LEU HG . . 4.010 2.580 2.289 3.108 . 0 0 "[ . 1 . 2]" 1
822 1 45 PHE QE 1 46 ALA MB . . 4.540 3.384 3.075 3.733 . 0 0 "[ . 1 . 2]" 1
823 1 45 PHE QE 1 61 ILE HG12 . . 4.630 3.144 2.961 3.373 . 0 0 "[ . 1 . 2]" 1
824 1 45 PHE QE 1 61 ILE MG . . 4.370 3.461 2.800 4.092 . 0 0 "[ . 1 . 2]" 1
825 1 45 PHE QE 1 65 SER HA . . 4.790 4.152 3.589 4.900 0.110 20 0 "[ . 1 . 2]" 1
826 1 45 PHE QE 1 65 SER QB . . 3.670 2.879 2.366 4.041 0.371 6 0 "[ . 1 . 2]" 1
827 1 45 PHE QE 1 66 THR H . . 3.920 3.850 3.162 4.505 0.585 11 1 "[ . 1+ . 2]" 1
828 1 45 PHE QE 1 67 LEU HA . . 5.430 4.710 4.303 5.260 . 0 0 "[ . 1 . 2]" 1
829 1 45 PHE QE 1 67 LEU QD . . 4.550 4.301 4.005 4.639 0.089 6 0 "[ . 1 . 2]" 1
830 1 45 PHE HZ 1 46 ALA MB . . 4.720 4.023 3.526 4.349 . 0 0 "[ . 1 . 2]" 1
831 1 45 PHE HZ 1 61 ILE HA . . 4.350 3.093 2.723 3.598 . 0 0 "[ . 1 . 2]" 1
832 1 45 PHE HZ 1 61 ILE HG12 . . 5.080 3.648 3.282 4.389 . 0 0 "[ . 1 . 2]" 1
833 1 45 PHE HZ 1 61 ILE MG . . 4.950 4.102 3.656 4.658 . 0 0 "[ . 1 . 2]" 1
834 1 45 PHE HZ 1 65 SER QB . . 4.530 4.316 3.823 4.820 0.290 2 0 "[ . 1 . 2]" 1
835 1 46 ALA HA 1 48 LYS H . . 5.500 4.468 4.203 4.919 . 0 0 "[ . 1 . 2]" 1
836 1 46 ALA MB 1 47 GLY H . . 4.540 3.678 3.310 3.787 . 0 0 "[ . 1 . 2]" 1
837 1 46 ALA MB 1 48 LYS H . . 4.330 3.502 3.278 3.833 . 0 0 "[ . 1 . 2]" 1
838 1 47 GLY H 1 48 LYS H . . 4.180 2.798 1.974 3.281 . 0 0 "[ . 1 . 2]" 1
839 1 48 LYS H 1 48 LYS QB . . 2.910 2.301 2.027 2.650 . 0 0 "[ . 1 . 2]" 1
840 1 48 LYS H 1 48 LYS QG . . 4.240 3.316 2.610 4.193 . 0 0 "[ . 1 . 2]" 1
841 1 48 LYS H 1 50 LEU MD2 . . 5.210 5.204 4.800 5.432 0.222 18 0 "[ . 1 . 2]" 1
842 1 48 LYS HA 1 48 LYS HD2 . . 5.140 4.387 3.267 4.722 . 0 0 "[ . 1 . 2]" 1
843 1 48 LYS HA 1 48 LYS QD . . 4.410 3.783 2.440 4.207 . 0 0 "[ . 1 . 2]" 1
844 1 48 LYS HA 1 48 LYS HD3 . . 5.140 4.200 2.518 4.807 . 0 0 "[ . 1 . 2]" 1
845 1 48 LYS HA 1 49 GLN H . . 3.010 2.192 2.070 2.264 . 0 0 "[ . 1 . 2]" 1
846 1 48 LYS HB2 1 49 GLN H . . 5.360 4.175 3.893 4.401 . 0 0 "[ . 1 . 2]" 1
847 1 48 LYS HB2 1 50 LEU MD2 . . 4.710 4.277 3.368 5.325 0.615 13 1 "[ . 1 + . 2]" 1
848 1 48 LYS HB3 1 49 GLN H . . 5.360 3.200 2.694 4.001 . 0 0 "[ . 1 . 2]" 1
849 1 48 LYS HB3 1 50 LEU MD2 . . 4.710 3.605 3.265 4.005 . 0 0 "[ . 1 . 2]" 1
850 1 48 LYS QD 1 59 TYR QE . . 5.160 2.801 2.114 4.005 . 0 0 "[ . 1 . 2]" 1
851 1 48 LYS HD2 1 50 LEU MD2 . . 5.410 4.776 3.116 6.263 0.853 13 1 "[ . 1 + . 2]" 1
852 1 48 LYS HD2 1 59 TYR QD . . 5.420 3.752 2.551 5.549 0.129 13 0 "[ . 1 . 2]" 1
853 1 48 LYS HD3 1 50 LEU MD2 . . 5.410 4.930 4.285 6.089 0.679 18 1 "[ . 1 . + 2]" 1
854 1 48 LYS HD3 1 59 TYR QD . . 5.420 4.051 3.192 5.953 0.533 18 1 "[ . 1 . + 2]" 1
855 1 48 LYS QE 1 59 TYR QD . . 5.190 4.699 2.270 6.137 0.947 13 2 "[ -. 1 + . 2]" 1
856 1 48 LYS QE 1 59 TYR QE . . 4.680 4.303 2.825 5.458 0.778 9 3 "[* . +1 . -]" 1
857 1 48 LYS QG 1 49 GLN H . . 4.180 3.320 2.157 4.194 0.014 18 0 "[ . 1 . 2]" 1
858 1 48 LYS QG 1 50 LEU MD2 . . 5.090 4.815 3.604 5.361 0.271 16 0 "[ . 1 . 2]" 1
859 1 49 GLN H 1 49 GLN QB . . 3.110 2.403 2.206 2.709 . 0 0 "[ . 1 . 2]" 1
860 1 49 GLN H 1 49 GLN QG . . 4.890 3.127 2.195 4.023 . 0 0 "[ . 1 . 2]" 1
861 1 49 GLN H 1 50 LEU H . . 5.370 4.611 4.548 4.649 . 0 0 "[ . 1 . 2]" 1
862 1 49 GLN HA 1 49 GLN HG2 . . 3.960 2.877 2.370 3.817 . 0 0 "[ . 1 . 2]" 1
863 1 49 GLN HA 1 49 GLN HG3 . . 3.960 3.136 2.527 3.715 . 0 0 "[ . 1 . 2]" 1
864 1 49 GLN HA 1 50 LEU H . . 2.850 2.395 2.280 2.499 . 0 0 "[ . 1 . 2]" 1
865 1 49 GLN HA 1 50 LEU MD2 . . 5.110 4.281 4.066 4.569 . 0 0 "[ . 1 . 2]" 1
866 1 49 GLN HA 1 50 LEU HG . . 4.840 3.505 3.292 3.956 . 0 0 "[ . 1 . 2]" 1
867 1 49 GLN QB 1 50 LEU H . . 3.850 2.784 2.374 3.571 . 0 0 "[ . 1 . 2]" 1
868 1 49 GLN QG 1 50 LEU H . . 4.790 3.679 2.137 4.360 . 0 0 "[ . 1 . 2]" 1
869 1 50 LEU H 1 50 LEU HB2 . . 4.130 2.589 2.515 2.686 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU H 1 50 LEU HB3 . . 4.130 3.743 3.689 3.809 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU H 1 50 LEU MD1 . . 4.310 4.048 3.928 4.184 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU H 1 50 LEU MD2 . . 3.860 3.768 3.583 3.935 0.075 18 0 "[ . 1 . 2]" 1
873 1 50 LEU H 1 50 LEU HG . . 3.100 2.951 2.713 3.120 0.020 11 0 "[ . 1 . 2]" 1
874 1 50 LEU H 1 51 GLU H . . 4.990 4.094 3.647 4.417 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU H 1 51 GLU HB2 . . 5.050 5.157 5.062 5.322 0.272 11 0 "[ . 1 . 2]" 1
876 1 50 LEU HA 1 50 LEU MD1 . . 4.530 3.844 3.789 3.910 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU HA 1 50 LEU MD2 . . 3.080 2.160 2.093 2.268 . 0 0 "[ . 1 . 2]" 1
878 1 50 LEU HA 1 51 GLU H . . 3.020 2.157 2.076 2.203 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU HA 1 59 TYR QE . . 4.070 3.182 3.040 3.389 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU HB2 1 51 GLU H . . 4.940 4.456 4.307 4.543 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU HB2 1 59 TYR QE . . 5.500 5.369 5.034 5.623 0.123 11 0 "[ . 1 . 2]" 1
882 1 50 LEU HB3 1 51 GLU H . . 4.130 3.815 3.453 4.056 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU HB3 1 59 TYR QE . . 4.260 4.119 3.526 4.599 0.339 11 0 "[ . 1 . 2]" 1
884 1 50 LEU MD1 1 59 TYR QD . . 4.780 4.488 4.179 4.694 . 0 0 "[ . 1 . 2]" 1
885 1 50 LEU MD1 1 59 TYR QE . . 5.290 4.878 4.592 5.121 . 0 0 "[ . 1 . 2]" 1
886 1 50 LEU MD1 1 67 LEU HG . . 4.120 3.675 3.363 4.225 0.105 19 0 "[ . 1 . 2]" 1
887 1 50 LEU MD1 1 68 HIS H . . 5.500 5.267 4.970 5.716 0.216 2 0 "[ . 1 . 2]" 1
888 1 50 LEU MD2 1 51 GLU H . . 4.180 3.871 3.686 4.036 . 0 0 "[ . 1 . 2]" 1
889 1 50 LEU MD2 1 59 TYR H . . 5.500 5.133 4.944 5.368 . 0 0 "[ . 1 . 2]" 1
890 1 50 LEU MD2 1 59 TYR HB2 . . 4.680 3.270 3.016 3.524 . 0 0 "[ . 1 . 2]" 1
891 1 50 LEU MD2 1 59 TYR HB3 . . 4.770 2.876 2.637 3.137 . 0 0 "[ . 1 . 2]" 1
892 1 50 LEU MD2 1 59 TYR QD . . 3.630 2.742 2.527 2.871 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU MD2 1 59 TYR QE . . 3.700 2.843 2.683 3.074 . 0 0 "[ . 1 . 2]" 1
894 1 50 LEU MD2 1 61 ILE MD . . 3.770 2.278 2.146 2.508 . 0 0 "[ . 1 . 2]" 1
895 1 51 GLU H 1 51 GLU HB2 . . 3.750 2.450 1.884 2.694 . 0 0 "[ . 1 . 2]" 1
896 1 51 GLU H 1 51 GLU HB3 . . 3.360 2.782 2.480 3.469 0.109 1 0 "[ . 1 . 2]" 1
897 1 51 GLU H 1 51 GLU HG2 . . 4.510 4.456 3.180 4.591 0.081 12 0 "[ . 1 . 2]" 1
898 1 51 GLU H 1 51 GLU QG . . 3.870 3.887 3.038 4.038 0.168 16 0 "[ . 1 . 2]" 1
899 1 51 GLU H 1 51 GLU HG3 . . 4.510 4.315 3.623 4.542 0.032 2 0 "[ . 1 . 2]" 1
900 1 51 GLU H 1 52 ASP H . . 4.880 4.561 4.475 4.661 . 0 0 "[ . 1 . 2]" 1
901 1 51 GLU H 1 59 TYR QE . . 3.680 3.117 2.577 3.670 . 0 0 "[ . 1 . 2]" 1
902 1 51 GLU HA 1 51 GLU HG2 . . 4.190 2.790 2.189 3.170 . 0 0 "[ . 1 . 2]" 1
903 1 51 GLU HA 1 51 GLU QG . . 3.680 2.278 2.089 2.583 . 0 0 "[ . 1 . 2]" 1
904 1 51 GLU HA 1 51 GLU HG3 . . 4.190 2.497 2.229 3.702 . 0 0 "[ . 1 . 2]" 1
905 1 51 GLU HA 1 52 ASP H . . 2.590 2.314 2.035 2.667 0.077 11 0 "[ . 1 . 2]" 1
906 1 51 GLU HB2 1 52 ASP H . . 4.340 4.081 3.801 4.282 . 0 0 "[ . 1 . 2]" 1
907 1 51 GLU HB2 1 59 TYR QE . . 5.500 4.825 4.092 5.359 . 0 0 "[ . 1 . 2]" 1
908 1 51 GLU HB3 1 52 ASP H . . 4.170 3.465 2.392 4.045 . 0 0 "[ . 1 . 2]" 1
909 1 51 GLU HB3 1 54 ARG H . . 5.460 5.446 5.069 5.588 0.128 20 0 "[ . 1 . 2]" 1
910 1 51 GLU HB3 1 59 TYR QE . . 5.490 4.437 3.592 5.358 . 0 0 "[ . 1 . 2]" 1
911 1 51 GLU QG 1 52 ASP H . . 4.260 2.404 1.693 3.962 . 0 0 "[ . 1 . 2]" 1
912 1 52 ASP H 1 52 ASP HB2 . . 3.950 3.447 2.575 3.765 . 0 0 "[ . 1 . 2]" 1
913 1 52 ASP H 1 52 ASP HB3 . . 3.120 2.957 2.207 3.169 0.049 20 0 "[ . 1 . 2]" 1
914 1 52 ASP HA 1 54 ARG H . . 4.510 3.299 2.979 3.820 . 0 0 "[ . 1 . 2]" 1
915 1 53 GLY H 1 54 ARG H . . 4.480 2.975 2.157 3.657 . 0 0 "[ . 1 . 2]" 1
916 1 54 ARG H 1 54 ARG HB2 . . 3.220 2.528 2.324 2.738 . 0 0 "[ . 1 . 2]" 1
917 1 54 ARG H 1 54 ARG HD2 . . 5.190 4.474 2.241 5.235 0.045 16 0 "[ . 1 . 2]" 1
918 1 54 ARG H 1 54 ARG QD . . 4.550 4.014 2.228 4.641 0.091 16 0 "[ . 1 . 2]" 1
919 1 54 ARG H 1 54 ARG HD3 . . 5.190 4.734 3.389 5.237 0.047 4 0 "[ . 1 . 2]" 1
920 1 54 ARG H 1 54 ARG HG2 . . 4.190 3.374 2.467 4.293 0.103 2 0 "[ . 1 . 2]" 1
921 1 54 ARG H 1 54 ARG QG . . 3.490 2.783 2.431 3.572 0.082 19 0 "[ . 1 . 2]" 1
922 1 54 ARG H 1 54 ARG HG3 . . 4.190 3.224 2.558 4.180 . 0 0 "[ . 1 . 2]" 1
923 1 54 ARG H 1 59 TYR QE . . 4.520 4.196 3.377 4.805 0.285 16 0 "[ . 1 . 2]" 1
924 1 54 ARG HA 1 54 ARG HD2 . . 4.570 4.191 3.324 4.650 0.080 11 0 "[ . 1 . 2]" 1
925 1 54 ARG HA 1 54 ARG QD . . 4.010 3.373 2.075 4.026 0.016 7 0 "[ . 1 . 2]" 1
926 1 54 ARG HA 1 54 ARG HD3 . . 4.570 3.689 2.096 4.528 . 0 0 "[ . 1 . 2]" 1
927 1 54 ARG HA 1 54 ARG QG . . 3.590 2.556 2.228 3.184 . 0 0 "[ . 1 . 2]" 1
928 1 54 ARG HA 1 55 THR H . . 3.160 2.471 2.335 2.581 . 0 0 "[ . 1 . 2]" 1
929 1 54 ARG HB2 1 55 THR H . . 4.240 3.460 3.197 3.682 . 0 0 "[ . 1 . 2]" 1
930 1 54 ARG HB2 1 59 TYR QD . . 5.500 3.175 2.720 3.739 . 0 0 "[ . 1 . 2]" 1
931 1 54 ARG HB2 1 59 TYR QE . . 3.160 2.377 2.121 3.053 . 0 0 "[ . 1 . 2]" 1
932 1 54 ARG HB3 1 55 THR H . . 3.310 2.276 2.097 2.638 . 0 0 "[ . 1 . 2]" 1
933 1 54 ARG HB3 1 58 ASP QB . . 4.250 2.590 2.044 3.319 . 0 0 "[ . 1 . 2]" 1
934 1 54 ARG HB3 1 59 TYR QD . . 5.500 3.316 2.820 4.193 . 0 0 "[ . 1 . 2]" 1
935 1 54 ARG HB3 1 59 TYR QE . . 3.860 3.521 2.843 4.368 0.508 4 1 "[ +. 1 . 2]" 1
936 1 54 ARG QD 1 59 TYR QE . . 4.660 3.336 2.257 4.870 0.210 6 0 "[ . 1 . 2]" 1
937 1 54 ARG HD2 1 59 TYR QE . . 5.390 3.738 2.402 5.348 . 0 0 "[ . 1 . 2]" 1
938 1 54 ARG HD3 1 59 TYR QE . . 5.390 4.314 2.276 5.697 0.307 6 0 "[ . 1 . 2]" 1
939 1 54 ARG QG 1 55 THR H . . 4.680 3.996 3.400 4.509 . 0 0 "[ . 1 . 2]" 1
940 1 54 ARG QG 1 59 TYR QE . . 3.960 3.233 2.262 4.368 0.408 4 0 "[ . 1 . 2]" 1
941 1 54 ARG HG2 1 55 THR H . . 5.500 4.374 3.828 4.974 . 0 0 "[ . 1 . 2]" 1
942 1 54 ARG HG3 1 55 THR H . . 5.500 4.725 3.603 5.160 . 0 0 "[ . 1 . 2]" 1
943 1 55 THR H 1 55 THR MG . . 3.270 2.566 2.220 3.060 . 0 0 "[ . 1 . 2]" 1
944 1 55 THR H 1 58 ASP H . . 4.060 3.655 3.420 3.850 . 0 0 "[ . 1 . 2]" 1
945 1 55 THR H 1 58 ASP QB . . 3.530 2.357 1.827 2.850 . 0 0 "[ . 1 . 2]" 1
946 1 55 THR H 1 59 TYR QE . . 5.120 5.312 4.895 5.833 0.713 6 2 "[ .+ - . 2]" 1
947 1 55 THR HA 1 55 THR MG . . 3.310 2.595 2.385 2.648 . 0 0 "[ . 1 . 2]" 1
948 1 55 THR HA 1 56 LEU H . . 3.130 2.401 2.327 2.479 . 0 0 "[ . 1 . 2]" 1
949 1 55 THR HA 1 57 SER H . . 4.950 4.614 4.313 4.780 . 0 0 "[ . 1 . 2]" 1
950 1 55 THR HA 1 58 ASP H . . 5.230 4.615 4.386 4.857 . 0 0 "[ . 1 . 2]" 1
951 1 55 THR HB 1 56 LEU H . . 3.150 2.355 2.222 2.440 . 0 0 "[ . 1 . 2]" 1
952 1 55 THR HB 1 57 SER H . . 3.590 3.370 2.869 3.615 0.025 12 0 "[ . 1 . 2]" 1
953 1 55 THR HG1 1 58 ASP H . . 4.160 3.020 2.224 3.803 . 0 0 "[ . 1 . 2]" 1
954 1 55 THR MG 1 56 LEU H . . 4.070 3.875 3.529 3.943 . 0 0 "[ . 1 . 2]" 1
955 1 55 THR MG 1 57 SER H . . 4.890 4.504 4.176 4.719 . 0 0 "[ . 1 . 2]" 1
956 1 55 THR MG 1 58 ASP H . . 4.560 4.164 3.744 4.714 0.154 14 0 "[ . 1 . 2]" 1
957 1 56 LEU H 1 56 LEU HB2 . . 3.360 2.338 2.243 2.413 . 0 0 "[ . 1 . 2]" 1
958 1 56 LEU H 1 56 LEU MD1 . . 4.190 3.459 3.291 3.680 . 0 0 "[ . 1 . 2]" 1
959 1 56 LEU H 1 56 LEU MD2 . . 4.240 3.599 3.405 3.806 . 0 0 "[ . 1 . 2]" 1
960 1 56 LEU H 1 56 LEU HG . . 3.030 2.360 2.177 2.508 . 0 0 "[ . 1 . 2]" 1
961 1 56 LEU H 1 57 SER H . . 3.400 2.899 2.749 3.000 . 0 0 "[ . 1 . 2]" 1
962 1 56 LEU HA 1 56 LEU MD1 . . 4.670 3.894 3.856 3.922 . 0 0 "[ . 1 . 2]" 1
963 1 56 LEU HA 1 56 LEU MD2 . . 3.120 2.189 2.143 2.245 . 0 0 "[ . 1 . 2]" 1
964 1 56 LEU HA 1 59 TYR H . . 4.500 3.718 3.554 3.922 . 0 0 "[ . 1 . 2]" 1
965 1 56 LEU HA 1 59 TYR QD . . 4.000 4.043 3.706 4.319 0.319 11 0 "[ . 1 . 2]" 1
966 1 56 LEU HA 1 61 ILE H . . 5.300 4.108 3.760 4.361 . 0 0 "[ . 1 . 2]" 1
967 1 56 LEU HA 1 61 ILE HB . . 4.460 2.951 2.602 3.220 . 0 0 "[ . 1 . 2]" 1
968 1 56 LEU HA 1 61 ILE MD . . 3.550 2.500 2.304 2.842 . 0 0 "[ . 1 . 2]" 1
969 1 56 LEU HB2 1 57 SER H . . 3.290 2.323 2.200 2.458 . 0 0 "[ . 1 . 2]" 1
970 1 56 LEU HB2 1 58 ASP H . . 4.680 4.808 4.754 4.876 0.196 8 0 "[ . 1 . 2]" 1
971 1 56 LEU HB2 1 61 ILE H . . 5.500 5.391 5.136 5.533 0.033 3 0 "[ . 1 . 2]" 1
972 1 56 LEU HB3 1 57 SER H . . 3.840 3.231 3.103 3.472 . 0 0 "[ . 1 . 2]" 1
973 1 56 LEU HB3 1 61 ILE HB . . 4.090 2.463 2.310 2.631 . 0 0 "[ . 1 . 2]" 1
974 1 56 LEU HB3 1 61 ILE MG . . 4.220 3.392 3.163 3.567 . 0 0 "[ . 1 . 2]" 1
975 1 56 LEU MD1 1 57 SER H . . 4.690 4.238 4.116 4.426 . 0 0 "[ . 1 . 2]" 1
976 1 56 LEU MD2 1 57 SER H . . 4.840 4.677 4.629 4.759 . 0 0 "[ . 1 . 2]" 1
977 1 56 LEU MD2 1 59 TYR QD . . 4.750 4.933 4.628 5.227 0.477 3 0 "[ . 1 . 2]" 1
978 1 56 LEU MD2 1 61 ILE H . . 5.230 4.732 4.442 5.009 . 0 0 "[ . 1 . 2]" 1
979 1 56 LEU MD2 1 61 ILE HB . . 4.210 2.641 2.293 2.973 . 0 0 "[ . 1 . 2]" 1
980 1 56 LEU MD2 1 61 ILE MD . . 2.910 2.163 2.097 2.334 . 0 0 "[ . 1 . 2]" 1
981 1 56 LEU MD2 1 61 ILE MG . . 2.980 2.270 2.163 2.464 . 0 0 "[ . 1 . 2]" 1
982 1 56 LEU HG 1 57 SER H . . 4.590 4.458 4.323 4.548 . 0 0 "[ . 1 . 2]" 1
983 1 57 SER H 1 57 SER HB2 . . 3.520 2.564 2.280 3.581 0.061 7 0 "[ . 1 . 2]" 1
984 1 57 SER H 1 57 SER QB . . 2.940 2.266 2.139 2.498 . 0 0 "[ . 1 . 2]" 1
985 1 57 SER H 1 57 SER HB3 . . 3.520 2.631 2.417 3.585 0.065 11 0 "[ . 1 . 2]" 1
986 1 57 SER H 1 58 ASP H . . 3.530 2.840 2.732 3.011 . 0 0 "[ . 1 . 2]" 1
987 1 57 SER H 1 58 ASP QB . . 5.340 4.641 4.408 4.888 . 0 0 "[ . 1 . 2]" 1
988 1 57 SER H 1 59 TYR H . . 5.500 4.439 4.215 4.582 . 0 0 "[ . 1 . 2]" 1
989 1 57 SER H 1 61 ILE MD . . 5.500 5.498 5.221 5.752 0.252 9 0 "[ . 1 . 2]" 1
990 1 57 SER HA 1 59 TYR H . . 4.500 4.309 4.036 4.519 0.019 2 0 "[ . 1 . 2]" 1
991 1 57 SER HA 1 61 ILE H . . 4.040 3.228 2.821 3.849 . 0 0 "[ . 1 . 2]" 1
992 1 57 SER QB 1 58 ASP H . . 3.590 2.990 2.689 3.579 . 0 0 "[ . 1 . 2]" 1
993 1 57 SER HB2 1 58 ASP H . . 4.430 4.042 3.136 4.287 . 0 0 "[ . 1 . 2]" 1
994 1 57 SER HB3 1 58 ASP H . . 4.430 3.155 2.732 4.147 . 0 0 "[ . 1 . 2]" 1
995 1 58 ASP H 1 58 ASP QB . . 2.900 2.275 2.020 2.484 . 0 0 "[ . 1 . 2]" 1
996 1 58 ASP H 1 59 TYR H . . 3.380 2.588 2.359 2.859 . 0 0 "[ . 1 . 2]" 1
997 1 58 ASP H 1 60 ASN H . . 4.280 3.967 3.748 4.265 . 0 0 "[ . 1 . 2]" 1
998 1 58 ASP HA 1 60 ASN H . . 3.680 3.522 3.121 3.761 0.081 5 0 "[ . 1 . 2]" 1
999 1 58 ASP QB 1 59 TYR H . . 3.660 2.774 2.447 2.988 . 0 0 "[ . 1 . 2]" 1
1000 1 58 ASP QB 1 59 TYR QE . . 5.500 4.979 4.248 5.514 0.014 12 0 "[ . 1 . 2]" 1
1001 1 59 TYR H 1 59 TYR HB2 . . 3.710 2.332 2.271 2.418 . 0 0 "[ . 1 . 2]" 1
1002 1 59 TYR H 1 59 TYR HB3 . . 3.730 3.584 3.544 3.647 . 0 0 "[ . 1 . 2]" 1
1003 1 59 TYR H 1 60 ASN H . . 3.200 2.774 2.675 2.909 . 0 0 "[ . 1 . 2]" 1
1004 1 59 TYR H 1 60 ASN HA . . 4.880 4.823 4.666 4.923 0.043 10 0 "[ . 1 . 2]" 1
1005 1 59 TYR H 1 61 ILE H . . 3.850 3.646 3.406 3.838 . 0 0 "[ . 1 . 2]" 1
1006 1 59 TYR H 1 61 ILE MD . . 3.980 4.287 4.115 4.571 0.591 14 1 "[ . 1 +. 2]" 1
1007 1 59 TYR H 1 61 ILE HG12 . . 5.500 5.547 5.512 5.572 0.072 16 0 "[ . 1 . 2]" 1
1008 1 59 TYR H 1 61 ILE HG13 . . 4.740 3.826 3.765 3.898 . 0 0 "[ . 1 . 2]" 1
1009 1 59 TYR HA 1 59 TYR QD . . 3.150 2.775 2.467 2.970 . 0 0 "[ . 1 . 2]" 1
1010 1 59 TYR HA 1 59 TYR QE . . 4.690 4.592 4.410 4.696 0.006 20 0 "[ . 1 . 2]" 1
1011 1 59 TYR HB2 1 60 ASN H . . 5.370 4.012 3.800 4.138 . 0 0 "[ . 1 . 2]" 1
1012 1 59 TYR HB2 1 61 ILE H . . 4.970 3.641 3.505 3.915 . 0 0 "[ . 1 . 2]" 1
1013 1 59 TYR HB2 1 61 ILE MD . . 3.910 2.599 2.440 2.826 . 0 0 "[ . 1 . 2]" 1
1014 1 59 TYR HB2 1 61 ILE HG12 . . 4.750 3.899 3.730 4.100 . 0 0 "[ . 1 . 2]" 1
1015 1 59 TYR HB2 1 61 ILE HG13 . . 4.480 2.413 2.266 2.638 . 0 0 "[ . 1 . 2]" 1
1016 1 59 TYR HB3 1 60 ASN H . . 4.590 4.297 4.195 4.400 . 0 0 "[ . 1 . 2]" 1
1017 1 59 TYR HB3 1 61 ILE H . . 4.460 3.987 3.745 4.210 . 0 0 "[ . 1 . 2]" 1
1018 1 59 TYR HB3 1 61 ILE MD . . 3.680 2.648 2.497 2.832 . 0 0 "[ . 1 . 2]" 1
1019 1 59 TYR HB3 1 61 ILE HG12 . . 4.800 3.353 3.162 3.624 . 0 0 "[ . 1 . 2]" 1
1020 1 59 TYR HB3 1 61 ILE HG13 . . 4.310 2.465 2.352 2.645 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASN H 1 60 ASN HA . . 2.760 2.226 2.212 2.246 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ASN H 1 60 ASN QB . . 3.480 3.079 2.853 3.444 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASN H 1 61 ILE H . . 3.520 2.772 2.701 2.830 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASN H 1 61 ILE HB . . 5.200 5.190 5.055 5.256 0.056 12 0 "[ . 1 . 2]" 1
1025 1 60 ASN H 1 61 ILE MD . . 5.460 5.279 5.184 5.371 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASN H 1 61 ILE HG13 . . 5.370 4.086 3.985 4.179 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ASN HA 1 61 ILE H . . 3.410 2.924 2.708 3.114 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ASN HA 1 62 GLN QE . . 4.820 4.212 2.424 5.163 0.343 11 0 "[ . 1 . 2]" 1
1029 1 60 ASN QB 1 62 GLN QE . . 4.660 3.772 2.412 4.750 0.090 11 0 "[ . 1 . 2]" 1
1030 1 61 ILE H 1 61 ILE HB . . 3.020 2.605 2.546 2.683 . 0 0 "[ . 1 . 2]" 1
1031 1 61 ILE H 1 61 ILE MD . . 4.150 3.736 3.592 3.870 . 0 0 "[ . 1 . 2]" 1
1032 1 61 ILE H 1 61 ILE HG12 . . 3.870 3.355 3.134 3.599 . 0 0 "[ . 1 . 2]" 1
1033 1 61 ILE H 1 61 ILE HG13 . . 3.400 2.214 2.043 2.454 . 0 0 "[ . 1 . 2]" 1
1034 1 61 ILE H 1 61 ILE MG . . 4.130 3.836 3.806 3.880 . 0 0 "[ . 1 . 2]" 1
1035 1 61 ILE H 1 62 GLN H . . 5.500 4.339 3.697 4.636 . 0 0 "[ . 1 . 2]" 1
1036 1 61 ILE HA 1 61 ILE HG12 . . 3.710 2.585 2.489 2.734 . 0 0 "[ . 1 . 2]" 1
1037 1 61 ILE HA 1 61 ILE HG13 . . 4.010 3.204 3.087 3.283 . 0 0 "[ . 1 . 2]" 1
1038 1 61 ILE HA 1 61 ILE MG . . 3.450 2.347 2.284 2.384 . 0 0 "[ . 1 . 2]" 1
1039 1 61 ILE HA 1 62 GLN H . . 2.790 2.171 2.081 2.307 . 0 0 "[ . 1 . 2]" 1
1040 1 61 ILE HA 1 62 GLN HA . . 5.270 4.481 4.428 4.557 . 0 0 "[ . 1 . 2]" 1
1041 1 61 ILE HA 1 62 GLN QG . . 4.710 4.079 3.243 4.731 0.021 17 0 "[ . 1 . 2]" 1
1042 1 61 ILE HB 1 61 ILE MD . . 3.670 2.506 2.452 2.590 . 0 0 "[ . 1 . 2]" 1
1043 1 61 ILE HB 1 62 GLN H . . 5.410 4.288 3.923 4.495 . 0 0 "[ . 1 . 2]" 1
1044 1 61 ILE MD 1 67 LEU HG . . 4.250 3.602 3.198 4.025 . 0 0 "[ . 1 . 2]" 1
1045 1 61 ILE HG12 1 61 ILE MG . . 3.500 2.470 2.419 2.572 . 0 0 "[ . 1 . 2]" 1
1046 1 61 ILE HG12 1 62 GLN H . . 4.820 4.645 4.395 4.828 0.008 9 0 "[ . 1 . 2]" 1
1047 1 61 ILE HG13 1 62 GLN H . . 5.430 5.184 5.005 5.301 . 0 0 "[ . 1 . 2]" 1
1048 1 61 ILE MG 1 62 GLN H . . 3.510 3.013 2.339 3.796 0.286 9 0 "[ . 1 . 2]" 1
1049 1 61 ILE MG 1 62 GLN HA . . 4.870 4.240 3.859 4.601 . 0 0 "[ . 1 . 2]" 1
1050 1 61 ILE MG 1 63 LYS H . . 5.390 5.467 5.179 5.804 0.414 9 0 "[ . 1 . 2]" 1
1051 1 61 ILE MG 1 64 GLU H . . 5.500 5.871 5.504 6.210 0.710 19 4 "[ . -1 *. * +2]" 1
1052 1 61 ILE MG 1 65 SER H . . 4.100 4.169 3.908 4.509 0.409 14 0 "[ . 1 . 2]" 1
1053 1 61 ILE MG 1 65 SER HB2 . . 3.870 2.592 2.252 3.236 . 0 0 "[ . 1 . 2]" 1
1054 1 61 ILE MG 1 65 SER QB . . 3.250 2.318 2.084 2.885 . 0 0 "[ . 1 . 2]" 1
1055 1 61 ILE MG 1 65 SER HB3 . . 3.870 2.687 2.343 3.490 . 0 0 "[ . 1 . 2]" 1
1056 1 61 ILE MG 1 66 THR H . . 5.170 5.228 4.810 5.483 0.313 12 0 "[ . 1 . 2]" 1
1057 1 62 GLN H 1 62 GLN QB . . 3.190 2.628 2.338 3.017 . 0 0 "[ . 1 . 2]" 1
1058 1 62 GLN H 1 62 GLN QG . . 3.260 2.581 2.003 3.159 . 0 0 "[ . 1 . 2]" 1
1059 1 62 GLN H 1 63 LYS H . . 4.990 4.574 4.424 4.744 . 0 0 "[ . 1 . 2]" 1
1060 1 62 GLN H 1 65 SER HB2 . . 4.950 3.433 2.409 4.614 . 0 0 "[ . 1 . 2]" 1
1061 1 62 GLN H 1 65 SER QB . . 4.230 3.091 2.386 4.161 . 0 0 "[ . 1 . 2]" 1
1062 1 62 GLN H 1 65 SER HB3 . . 4.950 3.823 2.982 4.733 . 0 0 "[ . 1 . 2]" 1
1063 1 62 GLN HA 1 62 GLN QG . . 3.650 3.047 2.401 3.573 . 0 0 "[ . 1 . 2]" 1
1064 1 62 GLN HA 1 63 LYS H . . 3.030 2.514 2.447 2.657 . 0 0 "[ . 1 . 2]" 1
1065 1 62 GLN QB 1 63 LYS H . . 3.040 2.254 2.033 2.568 . 0 0 "[ . 1 . 2]" 1
1066 1 62 GLN QB 1 63 LYS QG . . 3.830 3.344 2.782 4.445 0.615 2 1 "[ + . 1 . 2]" 1
1067 1 62 GLN QG 1 63 LYS H . . 4.500 3.644 3.050 4.296 . 0 0 "[ . 1 . 2]" 1
1068 1 62 GLN HG2 1 63 LYS H . . 5.140 4.056 3.222 4.950 . 0 0 "[ . 1 . 2]" 1
1069 1 62 GLN HG3 1 63 LYS H . . 5.140 4.270 3.255 4.910 . 0 0 "[ . 1 . 2]" 1
1070 1 63 LYS H 1 63 LYS HB2 . . 3.630 3.613 3.568 3.687 0.057 20 0 "[ . 1 . 2]" 1
1071 1 63 LYS H 1 63 LYS HB3 . . 3.040 2.464 2.287 2.812 . 0 0 "[ . 1 . 2]" 1
1072 1 63 LYS H 1 63 LYS QD . . 5.260 3.651 1.998 4.275 . 0 0 "[ . 1 . 2]" 1
1073 1 63 LYS H 1 63 LYS QE . . 5.350 4.144 2.202 5.332 . 0 0 "[ . 1 . 2]" 1
1074 1 63 LYS H 1 63 LYS QG . . 3.180 2.418 2.013 3.531 0.351 2 0 "[ . 1 . 2]" 1
1075 1 63 LYS H 1 64 GLU H . . 4.750 4.648 4.550 4.699 . 0 0 "[ . 1 . 2]" 1
1076 1 63 LYS HA 1 63 LYS QD . . 4.900 4.310 3.797 4.609 . 0 0 "[ . 1 . 2]" 1
1077 1 63 LYS HA 1 64 GLU H . . 2.820 2.205 2.058 2.322 . 0 0 "[ . 1 . 2]" 1
1078 1 63 LYS HA 1 65 SER H . . 4.530 3.358 3.163 3.707 . 0 0 "[ . 1 . 2]" 1
1079 1 63 LYS HB2 1 63 LYS QD . . 3.410 2.673 2.118 3.436 0.026 2 0 "[ . 1 . 2]" 1
1080 1 63 LYS HB2 1 64 GLU H . . 3.800 3.010 2.739 3.290 . 0 0 "[ . 1 . 2]" 1
1081 1 63 LYS HB3 1 63 LYS QD . . 3.630 2.543 2.244 3.282 . 0 0 "[ . 1 . 2]" 1
1082 1 63 LYS HB3 1 64 GLU H . . 4.170 4.130 3.915 4.235 0.065 19 0 "[ . 1 . 2]" 1
1083 1 63 LYS QD 1 64 GLU H . . 5.340 4.946 3.502 5.447 0.107 3 0 "[ . 1 . 2]" 1
1084 1 63 LYS QG 1 64 GLU H . . 4.550 3.845 3.164 4.449 . 0 0 "[ . 1 . 2]" 1
1085 1 64 GLU H 1 64 GLU HA . . 2.930 2.234 2.203 2.287 . 0 0 "[ . 1 . 2]" 1
1086 1 64 GLU H 1 64 GLU QG . . 3.720 2.888 2.530 4.175 0.455 13 0 "[ . 1 . 2]" 1
1087 1 64 GLU H 1 65 SER H . . 3.410 2.848 2.700 2.988 . 0 0 "[ . 1 . 2]" 1
1088 1 64 GLU HA 1 64 GLU QG . . 3.570 2.325 2.185 2.511 . 0 0 "[ . 1 . 2]" 1
1089 1 64 GLU QG 1 65 SER H . . 4.850 4.641 4.455 4.873 0.023 1 0 "[ . 1 . 2]" 1
1090 1 65 SER H 1 65 SER HB2 . . 3.960 2.656 2.244 3.611 . 0 0 "[ . 1 . 2]" 1
1091 1 65 SER H 1 65 SER QB . . 3.090 2.395 2.220 2.732 . 0 0 "[ . 1 . 2]" 1
1092 1 65 SER H 1 65 SER HB3 . . 3.960 3.192 2.360 3.672 . 0 0 "[ . 1 . 2]" 1
1093 1 65 SER H 1 66 THR H . . 4.800 4.613 4.550 4.659 . 0 0 "[ . 1 . 2]" 1
1094 1 65 SER HA 1 66 THR H . . 2.930 2.154 2.077 2.254 . 0 0 "[ . 1 . 2]" 1
1095 1 65 SER QB 1 66 THR H . . 3.470 3.142 2.586 3.675 0.205 7 0 "[ . 1 . 2]" 1
1096 1 65 SER QB 1 67 LEU QD . . 3.820 3.082 2.504 3.660 . 0 0 "[ . 1 . 2]" 1
1097 1 65 SER HB2 1 67 LEU QD . . 4.440 3.655 2.775 4.975 0.535 6 1 "[ .+ 1 . 2]" 1
1098 1 65 SER HB3 1 67 LEU QD . . 4.440 3.478 2.657 4.879 0.439 17 0 "[ . 1 . 2]" 1
1099 1 66 THR H 1 66 THR HB . . 3.270 2.890 2.687 3.063 . 0 0 "[ . 1 . 2]" 1
1100 1 66 THR H 1 66 THR MG . . 4.180 3.881 3.774 4.002 . 0 0 "[ . 1 . 2]" 1
1101 1 66 THR H 1 67 LEU H . . 4.920 4.174 3.687 4.609 . 0 0 "[ . 1 . 2]" 1
1102 1 66 THR H 1 67 LEU QD . . 4.740 4.456 3.940 5.124 0.384 19 0 "[ . 1 . 2]" 1
1103 1 66 THR HA 1 66 THR MG . . 3.330 2.249 2.192 2.354 . 0 0 "[ . 1 . 2]" 1
1104 1 66 THR HA 1 67 LEU H . . 2.910 2.148 2.053 2.314 . 0 0 "[ . 1 . 2]" 1
1105 1 66 THR HA 1 67 LEU QD . . 4.210 3.491 3.172 4.518 0.308 19 0 "[ . 1 . 2]" 1
1106 1 66 THR HA 1 67 LEU HG . . 5.010 5.027 4.655 5.098 0.088 14 0 "[ . 1 . 2]" 1
1107 1 66 THR HB 1 67 LEU H . . 4.850 4.337 3.838 4.491 . 0 0 "[ . 1 . 2]" 1
1108 1 66 THR MG 1 67 LEU H . . 3.500 3.312 2.546 3.855 0.355 2 0 "[ . 1 . 2]" 1
1109 1 66 THR MG 1 68 HIS HA . . 4.940 4.511 4.139 5.289 0.349 2 0 "[ . 1 . 2]" 1
1110 1 66 THR MG 1 68 HIS HE1 . . 4.060 4.085 3.356 5.003 0.943 17 3 "[* - 1 . + 2]" 1
1111 1 67 LEU H 1 67 LEU HB2 . . 3.510 2.476 2.380 2.588 . 0 0 "[ . 1 . 2]" 1
1112 1 67 LEU H 1 67 LEU HB3 . . 4.000 3.621 3.569 3.719 . 0 0 "[ . 1 . 2]" 1
1113 1 67 LEU H 1 67 LEU QD . . 3.840 2.158 1.864 2.937 . 0 0 "[ . 1 . 2]" 1
1114 1 67 LEU H 1 67 LEU HG . . 4.170 3.268 2.684 3.624 . 0 0 "[ . 1 . 2]" 1
1115 1 67 LEU H 1 68 HIS H . . 4.840 4.609 4.520 4.655 . 0 0 "[ . 1 . 2]" 1
1116 1 67 LEU HA 1 67 LEU QD . . 3.710 3.054 2.485 3.121 . 0 0 "[ . 1 . 2]" 1
1117 1 67 LEU HA 1 67 LEU HG . . 3.850 2.420 2.359 2.613 . 0 0 "[ . 1 . 2]" 1
1118 1 67 LEU HA 1 68 HIS H . . 3.040 2.287 2.209 2.357 . 0 0 "[ . 1 . 2]" 1
1119 1 67 LEU HB2 1 68 HIS H . . 4.350 3.870 3.774 4.006 . 0 0 "[ . 1 . 2]" 1
1120 1 67 LEU HB3 1 67 LEU QD . . 3.160 2.128 2.103 2.142 . 0 0 "[ . 1 . 2]" 1
1121 1 67 LEU HB3 1 68 HIS H . . 3.390 2.709 2.574 2.888 . 0 0 "[ . 1 . 2]" 1
1122 1 67 LEU QD 1 68 HIS H . . 3.820 3.889 3.180 4.134 0.314 1 0 "[ . 1 . 2]" 1
1123 1 67 LEU HG 1 68 HIS H . . 4.860 4.270 4.179 4.529 . 0 0 "[ . 1 . 2]" 1
1124 1 68 HIS H 1 68 HIS QB . . 3.500 2.525 2.401 2.624 . 0 0 "[ . 1 . 2]" 1
1125 1 68 HIS H 1 69 LEU H . . 4.850 4.378 4.356 4.400 . 0 0 "[ . 1 . 2]" 1
1126 1 68 HIS HA 1 69 LEU H . . 2.810 2.085 1.977 2.185 . 0 0 "[ . 1 . 2]" 1
1127 1 68 HIS QB 1 69 LEU H . . 3.870 2.320 2.123 2.675 . 0 0 "[ . 1 . 2]" 1
1128 1 68 HIS QB 1 69 LEU HB2 . . 5.370 4.788 4.716 4.934 . 0 0 "[ . 1 . 2]" 1
1129 1 68 HIS QB 1 70 VAL QG . . 3.900 4.083 3.407 4.383 0.483 14 0 "[ . 1 . 2]" 1
1130 1 69 LEU H 1 69 LEU HB2 . . 3.400 2.879 2.610 3.048 . 0 0 "[ . 1 . 2]" 1
1131 1 69 LEU H 1 69 LEU HB3 . . 3.500 2.564 2.441 2.674 . 0 0 "[ . 1 . 2]" 1
1132 1 69 LEU H 1 69 LEU MD2 . . 4.610 4.393 4.212 4.507 . 0 0 "[ . 1 . 2]" 1
1133 1 69 LEU H 1 69 LEU HG . . 4.990 4.559 4.524 4.601 . 0 0 "[ . 1 . 2]" 1
1134 1 69 LEU H 1 70 VAL H . . 5.060 4.483 4.420 4.603 . 0 0 "[ . 1 . 2]" 1
1135 1 69 LEU HA 1 69 LEU MD1 . . 3.810 2.206 2.145 2.265 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LEU HA 1 69 LEU MD2 . . 3.760 3.896 3.861 3.921 0.161 11 0 "[ . 1 . 2]" 1
1137 1 69 LEU HA 1 70 VAL H . . 2.830 2.211 2.149 2.262 . 0 0 "[ . 1 . 2]" 1
1138 1 69 LEU HA 1 70 VAL QG . . 4.460 3.801 3.650 4.012 . 0 0 "[ . 1 . 2]" 1
1139 1 69 LEU HB3 1 69 LEU MD2 . . 3.610 2.325 2.306 2.342 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LEU HB3 1 70 VAL H . . 4.120 3.795 3.718 3.877 . 0 0 "[ . 1 . 2]" 1
1141 1 69 LEU MD1 1 70 VAL H . . 4.510 2.138 2.013 2.408 . 0 0 "[ . 1 . 2]" 1
1142 1 69 LEU MD2 1 70 VAL H . . 4.280 4.138 4.068 4.216 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LEU HG 1 70 VAL H . . 4.230 2.640 2.565 2.779 . 0 0 "[ . 1 . 2]" 1
1144 1 70 VAL H 1 70 VAL HB . . 4.090 3.453 3.081 3.806 . 0 0 "[ . 1 . 2]" 1
1145 1 70 VAL H 1 70 VAL QG . . 3.030 2.564 2.304 2.913 . 0 0 "[ . 1 . 2]" 1
1146 1 70 VAL H 1 71 LEU H . . 4.720 4.402 4.337 4.470 . 0 0 "[ . 1 . 2]" 1
1147 1 70 VAL HA 1 70 VAL QG . . 3.260 2.123 2.072 2.192 . 0 0 "[ . 1 . 2]" 1
1148 1 70 VAL HA 1 71 LEU H . . 2.840 2.277 2.215 2.352 . 0 0 "[ . 1 . 2]" 1
1149 1 70 VAL HB 1 71 LEU H . . 3.020 2.697 2.164 3.396 0.376 2 0 "[ . 1 . 2]" 1
1150 1 70 VAL QG 1 71 LEU H . . 3.850 2.079 1.663 2.711 . 0 0 "[ . 1 . 2]" 1
1151 1 71 LEU H 1 71 LEU HB2 . . 3.570 2.154 1.947 2.466 . 0 0 "[ . 1 . 2]" 1
1152 1 71 LEU H 1 71 LEU QB . . 2.760 2.129 1.929 2.428 . 0 0 "[ . 1 . 2]" 1
1153 1 71 LEU H 1 71 LEU HB3 . . 3.570 3.365 3.007 3.627 0.057 16 0 "[ . 1 . 2]" 1
1154 1 71 LEU HA 1 71 LEU QD . . 3.190 2.143 2.008 2.942 . 0 0 "[ . 1 . 2]" 1
1155 1 71 LEU HA 1 72 ARG H . . 2.820 2.244 2.162 2.356 . 0 0 "[ . 1 . 2]" 1
1156 1 71 LEU QD 1 72 ARG H . . 4.000 2.329 1.801 3.082 . 0 0 "[ . 1 . 2]" 1
1157 1 72 ARG H 1 72 ARG HB2 . . 3.780 2.565 2.150 3.092 . 0 0 "[ . 1 . 2]" 1
1158 1 72 ARG H 1 72 ARG QB . . 3.040 2.347 2.130 2.551 . 0 0 "[ . 1 . 2]" 1
1159 1 72 ARG H 1 72 ARG HB3 . . 3.780 3.109 2.403 3.713 . 0 0 "[ . 1 . 2]" 1
1160 1 72 ARG H 1 72 ARG QD . . 4.990 4.331 3.548 4.811 . 0 0 "[ . 1 . 2]" 1
1161 1 72 ARG H 1 72 ARG QG . . 4.160 3.543 2.432 4.144 . 0 0 "[ . 1 . 2]" 1
1162 1 72 ARG HA 1 72 ARG QD . . 3.970 3.490 2.174 4.137 0.167 20 0 "[ . 1 . 2]" 1
1163 1 72 ARG HA 1 72 ARG QG . . 3.180 2.425 2.103 2.904 . 0 0 "[ . 1 . 2]" 1
1164 1 72 ARG HB2 1 72 ARG QD . . 3.860 2.676 2.187 3.590 . 0 0 "[ . 1 . 2]" 1
1165 1 72 ARG HB3 1 72 ARG QD . . 3.860 2.580 2.213 3.423 . 0 0 "[ . 1 . 2]" 1
1166 1 72 ARG QD 1 73 LEU H . . 5.410 4.427 2.633 5.360 . 0 0 "[ . 1 . 2]" 1
1167 1 73 LEU H 1 73 LEU QB . . 3.640 2.598 2.122 3.441 . 0 0 "[ . 1 . 2]" 1
1168 1 73 LEU HA 1 73 LEU QD . . 3.230 2.245 1.972 3.084 . 0 0 "[ . 1 . 2]" 1
1169 1 73 LEU QB 1 73 LEU QD . . 2.800 1.974 1.913 2.097 . 0 0 "[ . 1 . 2]" 1
1170 1 74 ARG HA 1 74 ARG QD . . 4.760 3.578 2.288 4.429 . 0 0 "[ . 1 . 2]" 1
stop_
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