NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452470 |
2vb5   |
15480 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2vb5
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 844
_Distance_constraint_stats_list.Viol_count 3066
_Distance_constraint_stats_list.Viol_total 18402.973
_Distance_constraint_stats_list.Viol_max 1.550
_Distance_constraint_stats_list.Viol_rms 0.1762
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0545
_Distance_constraint_stats_list.Viol_average_violations_only 0.3001
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 5.829 0.434 10 0 "[ . 1 . 2]"
1 4 ARG 0.578 0.148 7 0 "[ . 1 . 2]"
1 5 THR 8.515 0.702 7 1 "[ . + 1 . 2]"
1 6 PRO 1.864 0.415 5 0 "[ . 1 . 2]"
1 7 LYS 0.256 0.054 19 0 "[ . 1 . 2]"
1 8 ILE 7.408 0.749 11 10 "[* *** 1+* -.*** 2]"
1 9 GLN 1.756 0.701 9 1 "[ . +1 . 2]"
1 10 VAL 74.285 1.545 9 20 [********+**********-]
1 11 TYR 21.542 0.701 9 4 "[ *. -+1 * . 2]"
1 12 SER 10.347 0.619 9 1 "[ . +1 . 2]"
1 13 ARG 8.331 0.683 12 3 "[ *. - 1 + . 2]"
1 14 HIS 1.000 0.350 11 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 4.018 0.661 20 2 "[ * . 1 . +]"
1 17 GLU 2.706 0.493 11 0 "[ . 1 . 2]"
1 18 ASN 0.121 0.071 9 0 "[ . 1 . 2]"
1 19 GLY 7.237 0.527 19 1 "[ . 1 . +2]"
1 20 LYS 7.587 0.527 19 1 "[ . 1 . +2]"
1 21 SER 3.138 0.311 19 0 "[ . 1 . 2]"
1 22 ASN 5.548 0.661 20 2 "[ * . 1 . +]"
1 23 PHE 6.435 0.428 18 0 "[ . 1 . 2]"
1 24 LEU 144.519 1.545 9 20 [********+****-******]
1 25 ASN 7.733 0.512 19 1 "[ . 1 . +2]"
1 26 CYS 10.078 0.638 14 1 "[ . 1 +. 2]"
1 27 TYR 23.626 1.026 16 18 "[********** * **+*-**]"
1 28 VAL 42.864 0.860 7 20 [*-****+*************]
1 29 SER 26.451 0.930 4 13 "[ **+** *** *** *-]"
1 30 GLY 4.751 0.618 12 1 "[ . 1 + . 2]"
1 31 PHE 26.341 0.694 5 9 "[ + * * ***.* -*2]"
1 32 HIS 9.643 0.392 9 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 15.050 0.904 14 10 "[ ** ** **1 +.*- *2]"
1 35 ASP 4.565 0.809 3 5 "[ + ** 1 . - *2]"
1 36 ILE 96.648 1.388 4 20 [***+****-***********]
1 37 GLU 5.439 0.226 19 0 "[ . 1 . 2]"
1 38 VAL 117.685 1.550 9 20 [********+*****-*****]
1 39 ASP 6.544 0.260 5 0 "[ . 1 . 2]"
1 40 LEU 78.944 1.439 11 20 [**********+******-**]
1 41 LEU 19.894 0.702 16 13 "[* **** * - ** .+** *]"
1 42 LYS 3.331 0.321 8 0 "[ . 1 . 2]"
1 43 ASN 0.687 0.187 8 0 "[ . 1 . 2]"
1 44 GLY 15.105 0.702 16 9 "[ ** * - * .+** *]"
1 45 GLU 6.614 0.421 4 0 "[ . 1 . 2]"
1 46 ARG 11.090 0.563 4 7 "[* *+. 1 *- . * *]"
1 47 ILE 7.410 0.612 11 3 "[ . 1+ * -2]"
1 48 GLU 5.452 0.607 14 3 "[ .* 1 +. - 2]"
1 49 LYS 3.683 0.612 11 1 "[ . 1+ . 2]"
1 50 VAL 81.418 1.369 19 20 [*****************-+*]
1 51 GLU 22.834 1.020 16 16 "[ ***** *** ***+-***]"
1 52 HIS 2.801 0.397 17 0 "[ . 1 . 2]"
1 53 SER 2.329 0.578 12 1 "[ . 1 + . 2]"
1 54 ASP 1.353 0.277 8 0 "[ . 1 . 2]"
1 55 LEU 13.662 0.904 14 7 "[ - .* **1 +.* *2]"
1 56 SER 3.111 0.254 19 0 "[ . 1 . 2]"
1 57 PHE 6.073 0.638 11 3 "[* . 1+ -. 2]"
1 58 SER 12.479 0.971 3 4 "[ + * * .- 2]"
1 59 LYS 1.419 0.469 14 0 "[ . 1 . 2]"
1 60 ASP 0.505 0.189 8 0 "[ . 1 . 2]"
1 61 GLY 1.889 0.234 16 0 "[ . 1 . 2]"
1 62 SER 3.199 0.436 5 0 "[ . 1 . 2]"
1 63 PHE 2.678 0.570 19 1 "[ . 1 . +2]"
1 64 TYR 49.816 1.026 16 14 "[ ***** *** * **+ *-]"
1 65 LEU 30.880 0.848 7 15 "[ *****+*** **.* **-]"
1 66 LEU 29.994 0.872 4 18 "[***+****-* * *******]"
1 67 TYR 51.729 1.265 16 20 [***************+*-**]
1 68 TYR 39.591 1.049 2 18 "[*+*** ******* -*****]"
1 69 THR 61.228 1.369 19 20 [**********-*******+*]
1 70 GLU 1.737 0.428 18 0 "[ . 1 . 2]"
1 71 PHE 1.930 0.290 14 0 "[ . 1 . 2]"
1 72 THR 4.998 1.393 14 3 "[ . 1* +. - 2]"
1 73 PRO 2.898 0.484 9 0 "[ . 1 . 2]"
1 74 THR 8.447 1.393 14 3 "[ . 1* +. * 2]"
1 75 GLU 3.113 0.232 9 0 "[ . 1 . 2]"
1 76 LYS 3.015 0.586 7 1 "[ . + 1 . 2]"
1 77 ASP 1.494 0.232 9 0 "[ . 1 . 2]"
1 78 GLU 3.411 0.694 10 1 "[ . + . 2]"
1 79 TYR 28.953 0.766 8 13 "[ **** *+ ** -** **]"
1 80 ALA 0.093 0.054 4 0 "[ . 1 . 2]"
1 81 CYS 0.464 0.161 9 0 "[ . 1 . 2]"
1 82 ARG 7.932 0.319 13 0 "[ . 1 . 2]"
1 83 VAL 64.795 1.550 9 20 [********+**-********]
1 84 ASN 0.700 0.080 15 0 "[ . 1 . 2]"
1 85 HIS 19.241 1.040 7 16 "[- **.*+**1******* **]"
1 86 VAL 7.201 0.539 17 2 "[ . 1 - . + 2]"
1 87 THR 18.463 0.539 17 2 "[ . 1 - . + 2]"
1 88 LEU 30.483 1.040 7 18 [****.*+**1*-********]
1 89 SER 0.689 0.191 20 0 "[ . 1 . 2]"
1 90 GLN 3.372 0.191 20 0 "[ . 1 . 2]"
1 91 PRO 0.052 0.026 1 0 "[ . 1 . 2]"
1 92 LYS 1.308 0.161 20 0 "[ . 1 . 2]"
1 93 ILE 7.736 0.630 11 2 "[ . 1+ . - 2]"
1 94 VAL 2.543 0.365 14 0 "[ . 1 . 2]"
1 95 LYS 0.800 0.267 9 0 "[ . 1 . 2]"
1 96 TRP 36.568 1.304 13 20 [************+*******]
1 97 ASP 1.407 0.126 12 0 "[ . 1 . 2]"
1 98 ARG 3.570 0.725 20 3 "[ *. 1 - +]"
1 99 ASP 0.344 0.092 2 0 "[ . 1 . 2]"
1 100 MET 1.318 0.165 12 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 2 ILE HA 1 2 ILE HB . 2.320 . 2.405 2.328 2.516 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 2 ILE MG . 3.180 . 3.275 3.257 3.290 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE QG 1 3 GLN HA . . 5.100 4.374 4.216 4.620 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE MG 1 3 GLN H . 3.500 7.020 4.269 3.951 4.435 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE MG 1 4 ARG QB . . 7.710 4.087 2.472 5.515 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN H 1 3 GLN QB . 2.400 4.990 2.346 2.203 2.793 0.197 12 0 "[ . 1 . 2]" 1
7 1 3 GLN QB 1 4 ARG H . 3.000 6.020 3.953 3.446 4.099 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN QB 1 87 THR MG . 2.470 6.130 2.705 2.036 3.946 0.434 10 0 "[ . 1 . 2]" 1
9 1 3 GLN QE 1 86 VAL QG . . 7.710 3.554 1.964 4.734 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN QG 1 4 ARG H . . 6.090 4.314 3.579 4.894 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN QG 1 87 THR MG . . 6.300 2.786 1.980 3.754 . 0 0 "[ . 1 . 2]" 1
12 1 4 ARG H 1 32 HIS H . 2.240 3.830 3.350 2.717 3.858 0.028 11 0 "[ . 1 . 2]" 1
13 1 4 ARG H 1 32 HIS QB . . 5.010 2.073 1.781 2.591 . 0 0 "[ . 1 . 2]" 1
14 1 4 ARG H 1 4 ARG HA . 2.690 . 2.886 2.756 2.958 . 0 0 "[ . 1 . 2]" 1
15 1 4 ARG H 1 5 THR H . 2.830 4.850 4.588 4.432 4.657 . 0 0 "[ . 1 . 2]" 1
16 1 4 ARG H 1 85 HIS HE1 . 3.270 5.600 5.005 4.510 5.542 . 0 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 87 THR MG . 3.420 6.890 4.371 3.670 5.358 . 0 0 "[ . 1 . 2]" 1
18 1 4 ARG HA 1 5 THR MG . 2.840 5.890 3.579 3.428 3.834 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG HB2 1 32 HIS H . 2.180 4.380 2.984 2.032 4.290 0.148 7 0 "[ . 1 . 2]" 1
20 1 4 ARG HB3 1 32 HIS H . 2.180 4.380 3.157 2.089 3.992 0.091 18 0 "[ . 1 . 2]" 1
21 1 4 ARG QB 1 32 HIS H . 2.070 4.420 2.364 2.014 2.788 0.056 7 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 5 THR HA . 2.530 . 2.925 2.869 2.941 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR H 1 5 THR MG . 2.740 5.720 2.484 2.307 2.688 0.433 10 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 87 THR MG . 3.500 7.020 4.747 4.016 5.388 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR HA 1 5 THR HB . 2.470 . 2.526 2.475 2.581 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR HA 1 85 HIS HE1 . 3.500 6.000 3.653 3.352 4.785 0.148 12 0 "[ . 1 . 2]" 1
27 1 5 THR HA 1 87 THR HG1 . 2.450 4.210 3.612 3.205 3.980 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 87 THR MG . 2.520 5.330 3.541 2.849 4.261 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR MG 1 6 PRO QD . . 7.210 3.066 2.831 3.271 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR MG 1 88 LEU QD . 2.940 8.160 2.935 2.238 3.728 0.702 7 1 "[ . + 1 . 2]" 1
31 1 6 PRO HA 1 31 PHE QD . 2.450 6.340 3.202 2.729 3.648 . 0 0 "[ . 1 . 2]" 1
32 1 6 PRO QB 1 31 PHE QD . 2.890 7.960 3.050 2.475 3.775 0.415 5 0 "[ . 1 . 2]" 1
33 1 6 PRO QD 1 87 THR HG1 . . 5.740 3.368 2.814 4.003 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO QD 1 88 LEU QD . . 8.790 2.698 2.239 3.157 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO QG 1 36 ILE MD . . 7.460 2.793 2.234 3.298 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 28 VAL HA . 2.590 4.430 4.156 3.240 4.477 0.047 1 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 28 VAL QG . 3.370 7.020 4.080 3.323 4.797 0.047 3 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 7 LYS HA . 2.380 . 2.937 2.906 2.961 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS H 1 8 ILE H . 2.650 4.540 4.361 3.939 4.594 0.054 19 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 8 ILE MG . 2.890 5.970 2.821 2.141 3.780 0.749 11 10 "[* *** 1+* -.*** 2]" 1
41 1 8 ILE H 1 9 GLN H . 2.780 4.770 4.550 4.432 4.641 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HA 1 8 ILE MG . 2.040 4.510 2.320 2.222 2.711 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE QG 1 9 GLN H . 3.500 6.880 4.234 3.712 4.491 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE QG 1 94 VAL MG1 . 3.500 7.900 3.706 3.452 3.969 0.048 7 0 "[ . 1 . 2]" 1
45 1 8 ILE MG 1 81 CYS HB2 . 3.060 . 5.607 4.507 6.283 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MG 1 81 CYS HB3 . 3.060 . 4.935 4.403 5.704 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MG 1 81 CYS QB . 2.870 6.830 4.536 4.208 4.889 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MG 1 94 VAL HB . 2.410 5.150 4.072 3.664 4.244 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLN H 1 27 TYR H . 2.360 4.050 3.663 3.155 4.088 0.038 19 0 "[ . 1 . 2]" 1
50 1 9 GLN H 1 9 GLN HB2 . 2.110 3.890 2.883 2.722 3.414 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLN H 1 9 GLN HB3 . 2.110 3.890 3.816 3.025 3.927 0.037 11 0 "[ . 1 . 2]" 1
52 1 9 GLN HA 1 9 GLN QG . 2.030 4.360 2.527 2.327 3.026 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLN HA 1 10 VAL QG . 3.250 6.600 3.864 3.616 4.040 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLN HB2 1 11 TYR QE . 2.680 7.230 4.194 3.015 5.264 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLN HB3 1 11 TYR QE . 2.680 7.230 3.697 2.786 4.580 . 0 0 "[ . 1 . 2]" 1
56 1 9 GLN QB 1 11 TYR QE . 2.500 7.290 3.450 2.651 4.199 . 0 0 "[ . 1 . 2]" 1
57 1 9 GLN QG 1 11 TYR QE . 3.500 9.020 5.221 2.799 6.226 0.701 9 1 "[ . +1 . 2]" 1
58 1 9 GLN HE21 1 9 GLN QG . 2.350 . 2.439 2.138 2.714 0.212 2 0 "[ . 1 . 2]" 1
59 1 10 VAL H 1 10 VAL QG . 2.510 5.330 2.298 2.220 2.402 0.290 17 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 25 ASN H . 2.710 4.640 4.160 3.802 4.709 0.069 4 0 "[ . 1 . 2]" 1
61 1 10 VAL HA 1 27 TYR H . 2.830 4.850 3.285 3.063 3.649 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HA 1 10 VAL QG . 2.340 4.880 2.104 2.068 2.140 0.272 13 0 "[ . 1 . 2]" 1
63 1 10 VAL HB 1 11 TYR H . 2.400 4.120 4.419 4.397 4.435 0.315 15 0 "[ . 1 . 2]" 1
64 1 10 VAL HB 1 96 TRP HD1 . 2.750 4.710 4.045 3.916 4.276 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL QG 1 11 TYR H . 3.480 5.270 3.434 3.303 3.541 0.177 4 0 "[ . 1 . 2]" 1
66 1 10 VAL QG 1 24 LEU QD . 3.500 6.830 2.049 1.955 2.232 1.545 9 20 [********+**********-] 1
67 1 10 VAL QG 1 81 CYS HB2 . 2.290 5.040 2.485 2.129 2.756 0.161 9 0 "[ . 1 . 2]" 1
68 1 10 VAL QG 1 81 CYS HB3 . 2.290 5.040 2.791 2.233 3.864 0.057 14 0 "[ . 1 . 2]" 1
69 1 10 VAL QG 1 81 CYS QB . . 6.440 2.264 1.955 2.666 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL QG 1 96 TRP HA . 2.290 4.870 2.409 2.177 2.660 0.113 20 0 "[ . 1 . 2]" 1
71 1 10 VAL QG 1 96 TRP HD1 . 3.500 5.050 2.406 2.196 2.822 1.304 13 20 [************+******-] 1
72 1 10 VAL QG 1 26 CYS HA . 2.500 5.310 2.257 2.112 2.632 0.388 13 0 "[ . 1 . 2]" 1
73 1 10 VAL QG 1 81 CYS H . 2.650 5.560 3.033 2.758 3.280 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL QG 1 94 VAL HB . 2.530 5.360 2.518 2.165 2.988 0.365 14 0 "[ . 1 . 2]" 1
75 1 10 VAL QG 1 95 LYS H . 3.030 6.220 4.600 4.350 4.746 . 0 0 "[ . 1 . 2]" 1
76 1 11 TYR H 1 11 TYR QD . 2.490 6.400 2.312 2.148 2.634 0.342 10 0 "[ . 1 . 2]" 1
77 1 11 TYR H 1 11 TYR QE . 3.160 7.550 4.044 3.852 4.451 . 0 0 "[ . 1 . 2]" 1
78 1 11 TYR H 1 24 LEU QD . 3.060 6.260 4.302 3.950 4.772 . 0 0 "[ . 1 . 2]" 1
79 1 11 TYR H 1 25 ASN H . 2.110 3.610 3.695 3.531 3.796 0.186 11 0 "[ . 1 . 2]" 1
80 1 11 TYR H 1 25 ASN HB3 . 2.480 4.260 4.229 3.898 4.352 0.092 14 0 "[ . 1 . 2]" 1
81 1 11 TYR H 1 96 TRP HE1 . 3.380 5.790 5.642 5.289 5.820 0.030 19 0 "[ . 1 . 2]" 1
82 1 11 TYR HA 1 11 TYR QD . 2.230 5.950 3.759 3.732 3.767 . 0 0 "[ . 1 . 2]" 1
83 1 11 TYR HA 1 96 TRP HE1 . 2.060 3.530 3.532 3.383 3.642 0.112 13 0 "[ . 1 . 2]" 1
84 1 11 TYR HB2 1 12 SER H . . 3.870 2.620 2.316 2.778 . 0 0 "[ . 1 . 2]" 1
85 1 11 TYR HB3 1 12 SER H . . 3.870 3.877 3.681 3.994 0.124 15 0 "[ . 1 . 2]" 1
86 1 11 TYR QB 1 12 SER H . . 4.060 2.580 2.293 2.728 . 0 0 "[ . 1 . 2]" 1
87 1 11 TYR QB 1 96 TRP HD1 . . 6.640 4.864 4.682 4.961 . 0 0 "[ . 1 . 2]" 1
88 1 11 TYR QD 1 12 SER H . 2.710 6.780 3.603 3.179 3.906 . 0 0 "[ . 1 . 2]" 1
89 1 11 TYR QD 1 13 ARG HA . 3.120 7.470 3.131 2.437 3.678 0.683 12 2 "[ . - 1 + . 2]" 1
90 1 11 TYR QD 1 27 TYR H . 3.490 8.110 4.155 3.757 4.388 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR QE 1 13 ARG HA . 3.120 7.470 3.255 2.455 4.009 0.665 12 3 "[ -. * 1 + . 2]" 1
92 1 11 TYR QE 1 25 ASN HB2 . 2.910 7.120 3.224 3.126 3.347 . 0 0 "[ . 1 . 2]" 1
93 1 11 TYR QE 1 25 ASN QD . . 8.020 3.376 2.399 4.555 . 0 0 "[ . 1 . 2]" 1
94 1 11 TYR QE 1 27 TYR H . 3.320 7.810 3.942 3.467 4.369 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR QE 1 27 TYR HB2 . . . 2.685 2.334 3.239 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR QE 1 27 TYR HB3 . . . 2.783 2.490 3.389 . 0 0 "[ . 1 . 2]" 1
97 1 11 TYR QE 1 27 TYR QB . . 6.110 2.415 2.165 2.838 . 0 0 "[ . 1 . 2]" 1
98 1 11 TYR QE 1 27 TYR QD . 3.180 9.710 3.847 3.194 4.240 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR QE 1 66 LEU QD . . 10.150 3.501 3.013 4.316 . 0 0 "[ . 1 . 2]" 1
100 1 12 SER H 1 12 SER HB2 . 2.870 . 3.293 2.572 3.646 0.298 3 0 "[ . 1 . 2]" 1
101 1 12 SER H 1 12 SER HB3 . 2.870 . 3.083 2.436 3.637 0.434 19 0 "[ . 1 . 2]" 1
102 1 12 SER H 1 12 SER QB . 2.650 . 2.721 2.333 2.908 0.317 19 0 "[ . 1 . 2]" 1
103 1 12 SER H 1 13 ARG H . 2.590 4.440 4.497 4.350 4.556 0.116 17 0 "[ . 1 . 2]" 1
104 1 12 SER H 1 96 TRP HD1 . 2.660 4.560 4.011 3.582 4.554 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER H 1 96 TRP HE1 . 2.110 3.630 2.599 2.237 3.231 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER HA 1 24 LEU QD . 3.500 7.020 3.383 2.881 4.300 0.619 9 1 "[ . +1 . 2]" 1
107 1 12 SER HA 1 25 ASN H . 2.320 3.970 3.713 3.360 4.058 0.088 4 0 "[ . 1 . 2]" 1
108 1 12 SER HA 1 71 PHE HZ . 3.240 5.550 4.118 3.403 4.848 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER HA 1 96 TRP HZ2 . 3.390 5.800 4.541 3.455 5.121 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER HB2 1 13 ARG H . 2.250 . 3.544 2.608 4.382 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER HB2 1 71 PHE HZ . 2.540 . 3.929 2.394 5.809 0.146 19 0 "[ . 1 . 2]" 1
112 1 12 SER HB3 1 13 ARG H . 2.250 . 3.953 3.421 4.345 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER HB3 1 71 PHE HZ . 2.540 . 3.198 2.415 4.240 0.125 10 0 "[ . 1 . 2]" 1
114 1 12 SER QB 1 13 ARG H . 2.160 4.580 3.217 2.554 3.680 . 0 0 "[ . 1 . 2]" 1
115 1 12 SER QB 1 71 PHE HZ . 2.420 5.030 2.974 2.258 4.083 0.162 9 0 "[ . 1 . 2]" 1
116 1 12 SER QB 1 96 TRP HE1 . . 6.480 2.361 1.937 3.405 . 0 0 "[ . 1 . 2]" 1
117 1 12 SER QB 1 96 TRP HZ2 . . 4.960 2.518 2.242 3.360 . 0 0 "[ . 1 . 2]" 1
118 1 13 ARG H 1 13 ARG QG . 3.500 6.880 4.010 3.944 4.089 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG H 1 14 HIS H . 2.310 3.970 2.696 2.406 2.919 . 0 0 "[ . 1 . 2]" 1
120 1 13 ARG H 1 23 PHE H . 2.510 4.300 3.973 3.655 4.309 0.009 1 0 "[ . 1 . 2]" 1
121 1 13 ARG H 1 23 PHE QB . . 4.860 3.693 3.358 4.232 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG HA 1 13 ARG HB2 . 2.360 . 2.458 2.363 2.560 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG HA 1 13 ARG HB3 . 2.360 . 3.041 3.026 3.055 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG HA 1 13 ARG QG . 2.900 . 3.001 2.430 3.140 0.470 20 0 "[ . 1 . 2]" 1
125 1 13 ARG HA 1 14 HIS H . 2.640 . 3.590 3.573 3.609 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG QB 1 68 TYR HB3 . . 6.410 5.576 5.229 5.755 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG QG 1 14 HIS HE1 . 2.990 6.010 4.124 2.640 5.306 0.350 11 0 "[ . 1 . 2]" 1
128 1 14 HIS H 1 14 HIS HA . 2.450 . 2.936 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
129 1 14 HIS H 1 14 HIS HB2 . 2.270 3.900 2.324 2.233 2.414 0.037 1 0 "[ . 1 . 2]" 1
130 1 14 HIS H 1 14 HIS HB3 . 2.280 3.910 3.568 3.529 3.606 . 0 0 "[ . 1 . 2]" 1
131 1 14 HIS H 1 22 ASN QD . . 4.810 3.688 3.070 4.359 . 0 0 "[ . 1 . 2]" 1
132 1 14 HIS HA 1 14 HIS HB2 . 2.380 . 3.035 3.016 3.052 . 0 0 "[ . 1 . 2]" 1
133 1 14 HIS HA 1 15 PRO HD2 . 2.020 3.490 2.444 2.345 2.615 . 0 0 "[ . 1 . 2]" 1
134 1 14 HIS HA 1 15 PRO HD3 . 2.020 3.490 2.491 2.363 2.662 . 0 0 "[ . 1 . 2]" 1
135 1 14 HIS HB2 1 15 PRO QD . . 5.780 3.677 3.553 3.977 . 0 0 "[ . 1 . 2]" 1
136 1 14 HIS HB3 1 14 HIS HD2 . 3.020 . 3.737 2.814 4.004 0.206 4 0 "[ . 1 . 2]" 1
137 1 14 HIS HD2 1 22 ASN HA . 2.400 4.120 3.278 2.391 3.936 0.009 11 0 "[ . 1 . 2]" 1
138 1 16 ALA H 1 16 ALA HA . 2.440 . 2.901 2.786 2.991 . 0 0 "[ . 1 . 2]" 1
139 1 16 ALA HA 1 22 ASN HD21 . 2.230 4.170 2.864 2.180 4.192 0.050 7 0 "[ . 1 . 2]" 1
140 1 16 ALA HA 1 22 ASN HD22 . 2.230 4.170 2.764 2.054 3.400 0.176 4 0 "[ . 1 . 2]" 1
141 1 16 ALA HA 1 22 ASN QD . 2.060 4.400 2.314 1.997 2.807 0.063 4 0 "[ . 1 . 2]" 1
142 1 16 ALA MB 1 17 GLU H . 2.690 5.630 3.702 3.571 3.764 . 0 0 "[ . 1 . 2]" 1
143 1 16 ALA MB 1 22 ASN HD21 . 2.940 . 3.651 2.279 4.812 0.661 20 2 "[ - . 1 . +]" 1
144 1 16 ALA MB 1 22 ASN HD22 . 2.940 . 3.561 2.672 4.215 0.268 2 0 "[ . 1 . 2]" 1
145 1 16 ALA MB 1 22 ASN QD . 2.740 6.570 3.184 2.166 3.841 0.574 2 2 "[ + . 1 . -]" 1
146 1 16 ALA MB 1 96 TRP HH2 . 2.280 4.920 2.380 2.151 2.859 0.129 2 0 "[ . 1 . 2]" 1
147 1 16 ALA MB 1 96 TRP HZ2 . 2.160 4.710 2.542 2.195 2.988 . 0 0 "[ . 1 . 2]" 1
148 1 16 ALA MB 1 96 TRP HZ3 . 3.500 7.020 4.271 3.866 4.913 . 0 0 "[ . 1 . 2]" 1
149 1 17 GLU H 1 17 GLU QB . 2.160 4.590 2.302 2.204 2.509 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLU H 1 17 GLU QG . 2.790 5.670 3.314 2.297 4.088 0.493 11 0 "[ . 1 . 2]" 1
151 1 18 ASN H 1 18 ASN HB2 . 2.210 3.900 2.701 2.356 3.461 . 0 0 "[ . 1 . 2]" 1
152 1 18 ASN H 1 18 ASN HB3 . 2.210 3.900 3.053 2.340 3.971 0.071 9 0 "[ . 1 . 2]" 1
153 1 19 GLY HA2 1 20 LYS H . 2.540 . 3.485 2.524 3.633 0.016 6 0 "[ . 1 . 2]" 1
154 1 19 GLY HA2 1 72 THR MG . 2.560 5.410 4.478 2.776 5.720 0.310 15 0 "[ . 1 . 2]" 1
155 1 19 GLY HA3 1 20 LYS H . 2.800 . 2.580 2.273 2.876 0.527 19 1 "[ . 1 . +2]" 1
156 1 19 GLY HA3 1 74 THR HA . 2.780 4.770 2.905 2.302 4.779 0.478 15 0 "[ . 1 . 2]" 1
157 1 20 LYS H 1 20 LYS HB2 . 2.250 3.860 3.319 2.991 3.577 . 0 0 "[ . 1 . 2]" 1
158 1 20 LYS H 1 21 SER H . 3.500 6.000 4.122 3.774 4.387 . 0 0 "[ . 1 . 2]" 1
159 1 20 LYS H 1 72 THR MG . 2.980 6.120 3.445 2.816 4.067 0.164 3 0 "[ . 1 . 2]" 1
160 1 20 LYS H 1 73 PRO QD . . 6.180 3.077 2.081 4.230 . 0 0 "[ . 1 . 2]" 1
161 1 20 LYS HB2 1 21 SER H . 3.500 6.000 4.144 3.478 4.426 0.022 19 0 "[ . 1 . 2]" 1
162 1 20 LYS HB3 1 21 SER H . 2.370 4.070 3.884 2.059 4.326 0.311 19 0 "[ . 1 . 2]" 1
163 1 20 LYS QE 1 20 LYS HG2 . 2.550 . 2.980 2.413 3.603 0.137 14 0 "[ . 1 . 2]" 1
164 1 20 LYS QE 1 20 LYS HG3 . 2.550 . 2.942 2.426 3.573 0.124 10 0 "[ . 1 . 2]" 1
165 1 20 LYS QG 1 21 SER H . . 6.600 2.592 1.867 3.277 . 0 0 "[ . 1 . 2]" 1
166 1 20 LYS QG 1 72 THR MG . . 7.320 5.164 4.689 5.379 . 0 0 "[ . 1 . 2]" 1
167 1 21 SER H 1 72 THR MG . 3.500 7.020 3.837 3.308 5.257 0.192 11 0 "[ . 1 . 2]" 1
168 1 21 SER HA 1 21 SER QB . 2.300 . 2.331 2.180 2.414 0.120 3 0 "[ . 1 . 2]" 1
169 1 21 SER HA 1 72 THR MG . 2.680 5.620 3.366 2.577 4.227 0.103 4 0 "[ . 1 . 2]" 1
170 1 21 SER QB 1 22 ASN H . 2.620 5.370 3.168 2.716 3.731 . 0 0 "[ . 1 . 2]" 1
171 1 21 SER QB 1 23 PHE QE . 3.500 9.010 4.595 3.740 5.496 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASN H 1 22 ASN HA . 2.320 . 2.962 2.936 2.996 . 0 0 "[ . 1 . 2]" 1
173 1 22 ASN H 1 71 PHE QD . 2.070 . 4.322 3.817 4.817 . 0 0 "[ . 1 . 2]" 1
174 1 22 ASN H 1 71 PHE QE . 2.070 . 4.833 4.539 5.189 . 0 0 "[ . 1 . 2]" 1
175 1 22 ASN H 1 72 THR H . 3.090 5.300 4.961 4.608 5.355 0.055 19 0 "[ . 1 . 2]" 1
176 1 22 ASN H 1 72 THR HA . 2.630 4.510 3.419 2.828 3.815 . 0 0 "[ . 1 . 2]" 1
177 1 22 ASN HB2 1 22 ASN HD21 . 2.410 . 2.830 2.192 3.639 0.218 12 0 "[ . 1 . 2]" 1
178 1 22 ASN HB3 1 22 ASN HD21 . 2.410 . 2.757 2.248 3.414 0.162 19 0 "[ . 1 . 2]" 1
179 1 23 PHE H 1 23 PHE HB2 . 2.300 . 2.350 2.280 2.398 0.020 7 0 "[ . 1 . 2]" 1
180 1 23 PHE H 1 23 PHE HB3 . 2.300 . 3.590 3.542 3.624 . 0 0 "[ . 1 . 2]" 1
181 1 23 PHE H 1 23 PHE QD . 2.640 6.650 2.553 2.358 2.943 0.282 4 0 "[ . 1 . 2]" 1
182 1 23 PHE HA 1 23 PHE QD . 2.900 7.110 2.966 2.682 3.152 0.218 6 0 "[ . 1 . 2]" 1
183 1 23 PHE HA 1 71 PHE H . 2.410 4.120 3.099 2.757 3.276 . 0 0 "[ . 1 . 2]" 1
184 1 23 PHE HZ 1 70 GLU QG . 3.400 6.710 3.781 2.972 4.288 0.428 18 0 "[ . 1 . 2]" 1
185 1 23 PHE QD 1 68 TYR QD . 2.440 8.440 2.416 2.280 2.636 0.160 20 0 "[ . 1 . 2]" 1
186 1 23 PHE QD 1 68 TYR QE . 2.940 9.300 4.293 3.741 4.804 . 0 0 "[ . 1 . 2]" 1
187 1 23 PHE QD 1 70 GLU HA . 2.840 7.000 3.466 2.935 3.794 . 0 0 "[ . 1 . 2]" 1
188 1 23 PHE QE 1 70 GLU QB . . 7.780 2.752 2.504 3.315 . 0 0 "[ . 1 . 2]" 1
189 1 23 PHE QE 1 70 GLU QG . 3.030 8.200 3.411 2.617 4.382 0.413 14 0 "[ . 1 . 2]" 1
190 1 24 LEU H 1 24 LEU QB . 2.390 . 2.231 2.176 2.278 0.214 4 0 "[ . 1 . 2]" 1
191 1 24 LEU H 1 24 LEU QD . 3.500 7.020 3.711 3.636 3.762 . 0 0 "[ . 1 . 2]" 1
192 1 24 LEU H 1 69 THR H . 2.370 4.060 3.514 3.122 4.094 0.034 2 0 "[ . 1 . 2]" 1
193 1 24 LEU H 1 69 THR MG . 2.820 5.860 3.066 2.266 3.434 0.554 14 1 "[ . 1 +. 2]" 1
194 1 24 LEU H 1 70 GLU HA . 2.590 4.440 3.687 3.164 3.954 . 0 0 "[ . 1 . 2]" 1
195 1 24 LEU HA 1 24 LEU QB . 2.320 . 2.441 2.358 2.525 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU HA 1 24 LEU QD . 3.100 4.790 2.146 2.099 2.245 1.001 15 20 [***-**********+*****] 1
197 1 24 LEU QB 1 24 LEU HG . 2.490 . 2.404 2.357 2.446 0.133 20 0 "[ . 1 . 2]" 1
198 1 24 LEU QB 1 25 ASN H . 3.230 5.530 3.557 3.240 4.067 . 0 0 "[ . 1 . 2]" 1
199 1 24 LEU QB 1 69 THR H . 2.860 4.900 2.689 2.190 3.309 0.670 18 5 "[ .** *1- . + 2]" 1
200 1 24 LEU QB 1 69 THR MG . 3.100 6.340 2.159 2.022 2.365 1.078 8 20 [*******+**-*********] 1
201 1 24 LEU QB 1 71 PHE HZ . 3.070 5.270 4.626 3.815 5.108 . 0 0 "[ . 1 . 2]" 1
202 1 24 LEU HG 1 25 ASN H . 2.580 4.410 2.592 2.068 3.939 0.512 19 1 "[ . 1 . +2]" 1
203 1 24 LEU QD 1 25 ASN H . 2.490 5.290 2.644 2.133 3.231 0.357 20 0 "[ . 1 . 2]" 1
204 1 24 LEU QD 1 40 LEU QD . 3.500 8.090 2.450 2.061 3.205 1.439 11 19 "[* ***-****+*********]" 1
205 1 24 LEU QD 1 71 PHE HZ . 3.500 5.700 3.639 3.210 4.037 0.290 14 0 "[ . 1 . 2]" 1
206 1 24 LEU QD 1 79 TYR HB2 . 3.500 5.620 3.244 2.938 3.670 0.562 3 2 "[ + . 1 -. 2]" 1
207 1 24 LEU QD 1 79 TYR HB3 . 2.950 5.280 2.668 2.184 3.224 0.766 8 6 "[ **. + * *- 2]" 1
208 1 24 LEU QD 1 96 TRP HB2 . 2.800 5.820 2.391 2.133 2.722 0.667 12 8 "[ ***. * 1 +-** 2]" 1
209 1 24 LEU QD 1 96 TRP HB3 . 3.360 6.780 3.531 3.284 3.799 0.076 4 0 "[ . 1 . 2]" 1
210 1 24 LEU QD 1 96 TRP HD1 . 2.790 5.800 2.680 2.385 2.963 0.405 20 0 "[ . 1 . 2]" 1
211 1 24 LEU QD 1 96 TRP HE3 . 3.500 7.020 4.162 3.887 4.496 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU QD 1 96 TRP HZ2 . 3.500 7.020 4.651 4.355 4.877 . 0 0 "[ . 1 . 2]" 1
213 1 24 LEU QD 1 40 LEU QB . . 7.500 3.328 2.710 3.730 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU QD 1 69 THR MG . 3.130 7.400 2.504 2.248 3.106 0.882 4 13 "[ *+.****** * .*-* *]" 1
215 1 24 LEU QD 1 71 PHE QB . . 7.710 3.735 3.034 4.479 . 0 0 "[ . 1 . 2]" 1
216 1 24 LEU QD 1 79 TYR QD . 2.600 7.600 3.582 3.012 4.336 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU QD 1 79 TYR QE . 3.500 9.150 5.030 4.489 5.880 . 0 0 "[ . 1 . 2]" 1
218 1 24 LEU QD 1 80 ALA H . 3.500 7.020 3.975 3.446 4.342 0.054 4 0 "[ . 1 . 2]" 1
219 1 25 ASN H 1 25 ASN HA . 2.850 . 2.977 2.952 3.009 . 0 0 "[ . 1 . 2]" 1
220 1 25 ASN H 1 25 ASN HB3 . 2.730 . 3.761 3.499 3.883 . 0 0 "[ . 1 . 2]" 1
221 1 25 ASN HA 1 25 ASN HB2 . 2.670 . 3.039 3.011 3.049 . 0 0 "[ . 1 . 2]" 1
222 1 25 ASN HB3 1 26 CYS H . 2.520 4.320 4.190 3.994 4.331 0.011 20 0 "[ . 1 . 2]" 1
223 1 26 CYS H 1 26 CYS HB2 . 2.250 3.850 2.620 2.360 2.860 . 0 0 "[ . 1 . 2]" 1
224 1 26 CYS H 1 26 CYS HB3 . 2.800 . 2.970 2.490 3.691 0.310 8 0 "[ . 1 . 2]" 1
225 1 26 CYS H 1 40 LEU QD . 3.500 8.100 4.374 3.678 5.296 . 0 0 "[ . 1 . 2]" 1
226 1 26 CYS H 1 67 TYR H . 2.810 4.810 3.395 2.701 3.808 0.109 18 0 "[ . 1 . 2]" 1
227 1 26 CYS H 1 67 TYR QB . . 5.810 3.608 3.248 4.110 . 0 0 "[ . 1 . 2]" 1
228 1 26 CYS H 1 68 TYR HA . 2.530 4.350 3.515 3.070 3.778 . 0 0 "[ . 1 . 2]" 1
229 1 26 CYS H 1 68 TYR HB3 . 2.630 4.510 4.474 4.138 4.674 0.164 8 0 "[ . 1 . 2]" 1
230 1 26 CYS HA 1 26 CYS HB2 . 2.240 . 2.668 2.394 3.035 . 0 0 "[ . 1 . 2]" 1
231 1 26 CYS HB2 1 38 VAL QG . 3.230 6.560 3.841 2.592 4.542 0.638 14 1 "[ . 1 +. 2]" 1
232 1 26 CYS HB2 1 40 LEU QD . 2.850 6.980 3.747 3.288 4.465 . 0 0 "[ . 1 . 2]" 1
233 1 26 CYS HB3 1 27 TYR H . 2.900 4.980 4.368 4.047 4.567 . 0 0 "[ . 1 . 2]" 1
234 1 26 CYS HB3 1 40 LEU QD . 2.700 6.720 3.870 2.843 5.023 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR H 1 27 TYR HA . 2.780 . 2.928 2.872 2.956 . 0 0 "[ . 1 . 2]" 1
236 1 27 TYR H 1 66 LEU QD . . 8.020 3.847 3.290 4.724 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR HA 1 27 TYR QD . 2.200 5.910 2.807 2.530 3.214 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR QD 1 28 VAL H . 3.500 8.130 4.294 3.818 4.473 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR QD 1 66 LEU HG . 2.500 6.420 4.616 4.281 4.800 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR QD 1 66 LEU QD . 2.880 8.940 2.257 2.089 2.649 0.791 8 16 "[*******+** ** *-**]" 1
241 1 27 TYR QE 1 29 SER HB3 . 3.000 7.270 2.986 2.517 4.542 0.483 13 0 "[ . 1 . 2]" 1
242 1 27 TYR QE 1 64 TYR QB . 3.450 8.050 3.192 2.424 4.021 1.026 16 2 "[ . 1 - .+ 2]" 1
243 1 27 TYR QE 1 64 TYR QD . 2.540 8.620 2.447 2.267 2.860 0.273 8 0 "[ . 1 . 2]" 1
244 1 28 VAL H 1 28 VAL HA . 2.290 . 2.954 2.943 2.969 . 0 0 "[ . 1 . 2]" 1
245 1 28 VAL H 1 28 VAL QG . 2.700 7.020 2.129 1.864 2.404 0.836 6 10 "[ -+* ** * *.* **2]" 1
246 1 28 VAL H 1 65 LEU H . 2.190 3.750 3.860 3.677 3.977 0.227 19 0 "[ . 1 . 2]" 1
247 1 28 VAL H 1 66 LEU HA . 2.840 4.860 3.636 2.779 4.486 0.061 13 0 "[ . 1 . 2]" 1
248 1 28 VAL H 1 66 LEU QD . . 7.850 4.722 4.134 5.223 . 0 0 "[ . 1 . 2]" 1
249 1 28 VAL HA 1 28 VAL HB . 2.530 . 2.752 2.385 3.043 0.145 10 0 "[ . 1 . 2]" 1
250 1 28 VAL HA 1 28 VAL QG . 2.130 4.820 2.137 2.047 2.269 0.083 13 0 "[ . 1 . 2]" 1
251 1 28 VAL HB 1 29 SER H . 3.500 6.000 4.267 3.577 4.552 . 0 0 "[ . 1 . 2]" 1
252 1 28 VAL HB 1 36 ILE MD . 3.500 7.020 3.154 2.640 3.946 0.860 7 9 "[ **+ ** * *.- * 2]" 1
253 1 28 VAL HB 1 38 VAL QG . 3.180 6.470 3.411 2.660 4.077 0.520 15 2 "[ - . 1 + 2]" 1
254 1 28 VAL QG 1 29 SER H . 2.440 5.910 3.504 3.079 3.847 . 0 0 "[ . 1 . 2]" 1
255 1 28 VAL QG 1 31 PHE QE . 2.980 9.070 2.939 2.286 3.689 0.694 5 7 "[ + * * *.* -*2]" 1
256 1 28 VAL QG 1 36 ILE MD . 2.620 7.470 2.083 1.950 2.261 0.670 10 14 "[****.*** +* * * *- *]" 1
257 1 28 VAL QG 1 67 TYR QD . 2.580 8.550 2.528 2.126 3.007 0.454 10 0 "[ . 1 . 2]" 1
258 1 29 SER H 1 29 SER HA . 2.480 . 2.930 2.716 2.964 . 0 0 "[ . 1 . 2]" 1
259 1 29 SER HA 1 31 PHE QD . 2.920 7.140 3.728 3.266 4.313 . 0 0 "[ . 1 . 2]" 1
260 1 29 SER HA 1 64 TYR QB . 2.790 4.600 3.004 2.337 3.517 0.453 19 0 "[ . 1 . 2]" 1
261 1 29 SER HA 1 64 TYR QD . 3.500 8.130 5.022 4.502 5.454 . 0 0 "[ . 1 . 2]" 1
262 1 29 SER HA 1 65 LEU H . 2.740 4.700 3.550 3.032 4.133 . 0 0 "[ . 1 . 2]" 1
263 1 29 SER HB2 1 62 SER QB . . 5.600 4.119 2.993 4.854 . 0 0 "[ . 1 . 2]" 1
264 1 29 SER HB2 1 64 TYR HA . 3.500 6.000 3.791 3.219 4.350 0.281 16 0 "[ . 1 . 2]" 1
265 1 29 SER HB2 1 64 TYR QB . 3.500 6.000 2.991 2.588 3.597 0.912 3 10 "[ +*** *-* ** *2]" 1
266 1 29 SER HB3 1 64 TYR HA . 3.070 5.260 3.362 2.866 4.095 0.204 16 0 "[ . 1 . 2]" 1
267 1 29 SER HB3 1 64 TYR QB . 3.290 4.100 2.742 2.360 3.253 0.930 4 13 "[ **+** *** *** *-]" 1
268 1 29 SER HB3 1 64 TYR QD . 3.500 8.130 4.790 4.353 5.321 . 0 0 "[ . 1 . 2]" 1
269 1 30 GLY H 1 31 PHE H . 2.320 3.970 2.797 2.494 3.522 . 0 0 "[ . 1 . 2]" 1
270 1 30 GLY H 1 31 PHE QD . 3.480 8.090 3.687 2.862 4.800 0.618 12 1 "[ . 1 + . 2]" 1
271 1 30 GLY HA2 1 31 PHE H . 2.960 . 3.507 2.782 3.637 0.178 14 0 "[ . 1 . 2]" 1
272 1 30 GLY HA3 1 31 PHE H . 2.960 . 2.972 2.726 3.634 0.234 7 0 "[ . 1 . 2]" 1
273 1 30 GLY QA 1 31 PHE H . 2.810 . 2.768 2.649 3.018 0.161 7 0 "[ . 1 . 2]" 1
274 1 31 PHE H 1 31 PHE HA . 2.450 . 2.932 2.714 2.964 . 0 0 "[ . 1 . 2]" 1
275 1 31 PHE HA 1 31 PHE QD . 2.460 6.340 3.743 3.707 3.769 . 0 0 "[ . 1 . 2]" 1
276 1 31 PHE HA 1 85 HIS HE1 . 3.480 5.960 3.857 3.148 4.589 0.332 19 0 "[ . 1 . 2]" 1
277 1 31 PHE HB2 1 32 HIS H . 2.110 4.170 3.655 3.111 4.020 . 0 0 "[ . 1 . 2]" 1
278 1 31 PHE HB3 1 32 HIS H . 2.110 4.170 4.303 4.190 4.381 0.211 17 0 "[ . 1 . 2]" 1
279 1 31 PHE HZ 1 34 SER HA . 3.250 5.570 4.423 3.712 5.548 . 0 0 "[ . 1 . 2]" 1
280 1 31 PHE HZ 1 36 ILE MD . 3.130 6.380 4.137 3.644 4.937 . 0 0 "[ . 1 . 2]" 1
281 1 31 PHE HZ 1 36 ILE MG . 2.610 5.490 2.998 2.548 3.703 0.062 14 0 "[ . 1 . 2]" 1
282 1 31 PHE HZ 1 55 LEU MD1 . . 7.020 2.790 2.187 5.188 . 0 0 "[ . 1 . 2]" 1
283 1 31 PHE HZ 1 55 LEU MD2 . . 7.020 5.194 4.431 5.800 . 0 0 "[ . 1 . 2]" 1
284 1 31 PHE HZ 1 55 LEU QD . . 7.370 2.761 2.183 4.788 . 0 0 "[ . 1 . 2]" 1
285 1 31 PHE HZ 1 63 PHE QB . . 6.340 2.958 2.495 3.724 . 0 0 "[ . 1 . 2]" 1
286 1 31 PHE QB 1 32 HIS H . . 4.290 3.457 3.031 3.716 . 0 0 "[ . 1 . 2]" 1
287 1 31 PHE QB 1 85 HIS HE1 . . 6.000 3.350 2.733 3.982 . 0 0 "[ . 1 . 2]" 1
288 1 31 PHE QD 1 32 HIS H . 3.310 7.800 4.612 3.912 4.951 . 0 0 "[ . 1 . 2]" 1
289 1 31 PHE QD 1 34 SER HA . 2.560 6.510 2.978 2.344 4.705 0.216 1 0 "[ . 1 . 2]" 1
290 1 31 PHE QD 1 36 ILE MG . 3.500 9.150 3.457 2.965 4.094 0.535 13 1 "[ . 1 + . 2]" 1
291 1 31 PHE QD 1 85 HIS HD2 . 2.780 6.890 3.425 2.788 4.009 . 0 0 "[ . 1 . 2]" 1
292 1 31 PHE QD 1 85 HIS HE1 . 3.500 8.130 4.655 3.733 5.561 . 0 0 "[ . 1 . 2]" 1
293 1 31 PHE QE 1 34 SER QB . . 7.260 3.544 2.552 4.506 . 0 0 "[ . 1 . 2]" 1
294 1 31 PHE QE 1 36 ILE MD . 3.120 8.500 3.364 2.936 3.997 0.184 14 0 "[ . 1 . 2]" 1
295 1 31 PHE QE 1 36 ILE MG . 2.860 8.060 2.628 2.395 2.872 0.465 4 0 "[ . 1 . 2]" 1
296 1 31 PHE QE 1 64 TYR HA . 2.060 5.670 3.703 3.146 4.079 . 0 0 "[ . 1 . 2]" 1
297 1 31 PHE QE 1 65 LEU H . 2.560 6.530 2.803 2.073 3.332 0.487 13 0 "[ . 1 . 2]" 1
298 1 31 PHE QE 1 85 HIS HD2 . 2.760 6.860 4.953 3.936 5.816 . 0 0 "[ . 1 . 2]" 1
299 1 32 HIS H 1 32 HIS HB2 . 2.710 . 2.402 2.318 2.561 0.392 9 0 "[ . 1 . 2]" 1
300 1 32 HIS H 1 32 HIS HB3 . 2.710 . 3.580 2.805 3.652 . 0 0 "[ . 1 . 2]" 1
301 1 32 HIS H 1 85 HIS HE1 . 2.230 3.830 3.459 2.948 3.974 0.144 10 0 "[ . 1 . 2]" 1
302 1 32 HIS H 1 87 THR MG . 3.500 7.020 4.628 4.055 5.587 . 0 0 "[ . 1 . 2]" 1
303 1 32 HIS HA 1 32 HIS HD2 . 2.690 4.610 3.330 2.751 3.997 . 0 0 "[ . 1 . 2]" 1
304 1 32 HIS HB2 1 63 PHE QD . 3.050 . 5.810 5.046 6.540 . 0 0 "[ . 1 . 2]" 1
305 1 32 HIS HB3 1 63 PHE QD . 3.050 . 5.650 4.791 6.394 . 0 0 "[ . 1 . 2]" 1
306 1 32 HIS HD2 1 62 SER HA . 2.280 3.910 3.478 3.009 3.952 0.042 19 0 "[ . 1 . 2]" 1
307 1 32 HIS HE1 1 33 PRO QB . . 7.630 6.627 3.685 6.932 . 0 0 "[ . 1 . 2]" 1
308 1 32 HIS HE1 1 61 GLY QA . . 5.940 2.968 2.252 4.902 . 0 0 "[ . 1 . 2]" 1
309 1 32 HIS HE1 1 63 PHE QD . 2.840 7.000 5.173 4.254 6.462 . 0 0 "[ . 1 . 2]" 1
310 1 32 HIS QB 1 63 PHE QD . 2.870 7.940 5.086 4.406 5.724 . 0 0 "[ . 1 . 2]" 1
311 1 33 PRO HA 1 34 SER H . 2.290 . 3.040 2.480 3.665 . 0 0 "[ . 1 . 2]" 1
312 1 33 PRO HA 1 34 SER QB . . 5.990 4.485 4.176 4.875 . 0 0 "[ . 1 . 2]" 1
313 1 33 PRO HA 1 35 ASP H . 3.430 5.880 4.736 4.116 5.616 . 0 0 "[ . 1 . 2]" 1
314 1 33 PRO HA 1 63 PHE QD . 2.520 6.460 4.623 3.542 5.225 . 0 0 "[ . 1 . 2]" 1
315 1 33 PRO HD2 1 85 HIS HE1 . 2.050 . 3.617 2.910 4.314 . 0 0 "[ . 1 . 2]" 1
316 1 33 PRO HD3 1 85 HIS HE1 . 2.050 . 4.553 4.162 4.924 . 0 0 "[ . 1 . 2]" 1
317 1 33 PRO QD 1 85 HIS HE1 . . 4.260 3.462 2.867 3.937 . 0 0 "[ . 1 . 2]" 1
318 1 33 PRO QD 1 86 VAL QG . . 6.850 2.453 1.976 3.859 . 0 0 "[ . 1 . 2]" 1
319 1 33 PRO QD 1 87 THR MG . . 7.460 3.554 2.739 4.657 . 0 0 "[ . 1 . 2]" 1
320 1 34 SER H 1 34 SER HA . 2.590 . 2.873 2.821 2.976 . 0 0 "[ . 1 . 2]" 1
321 1 34 SER H 1 34 SER HB2 . 2.600 . 3.641 2.483 4.092 0.117 4 0 "[ . 1 . 2]" 1
322 1 34 SER H 1 34 SER HB3 . 2.600 . 2.916 2.498 3.640 0.102 13 0 "[ . 1 . 2]" 1
323 1 34 SER H 1 34 SER QB . 2.430 . 2.783 2.243 3.404 0.187 4 0 "[ . 1 . 2]" 1
324 1 34 SER H 1 35 ASP H . 2.520 4.330 2.526 1.711 3.522 0.809 3 5 "[ + ** 1 . - *2]" 1
325 1 34 SER H 1 63 PHE QD . 3.290 7.770 4.915 3.926 6.005 . 0 0 "[ . 1 . 2]" 1
326 1 34 SER HA 1 55 LEU MD1 . 3.360 7.020 3.455 2.456 5.542 0.904 14 6 "[ - .* **1 +.* 2]" 1
327 1 34 SER HA 1 55 LEU MD2 . 3.360 7.020 4.549 3.604 5.690 . 0 0 "[ . 1 . 2]" 1
328 1 34 SER HA 1 55 LEU QD . 3.050 7.330 3.334 2.419 5.001 0.631 9 4 "[ . *+1 *.- 2]" 1
329 1 34 SER HA 1 63 PHE QD . 2.500 6.420 3.365 2.336 4.586 0.164 4 0 "[ . 1 . 2]" 1
330 1 34 SER HB2 1 55 LEU MD1 . . 7.020 2.922 2.285 4.909 . 0 0 "[ . 1 . 2]" 1
331 1 34 SER HB2 1 55 LEU MD2 . . 7.020 3.247 2.483 4.842 . 0 0 "[ . 1 . 2]" 1
332 1 34 SER HB2 1 63 PHE QD . 2.400 . 4.532 3.049 6.021 . 0 0 "[ . 1 . 2]" 1
333 1 34 SER HB3 1 55 LEU MD1 . . 7.020 3.351 2.579 5.067 . 0 0 "[ . 1 . 2]" 1
334 1 34 SER HB3 1 55 LEU MD2 . . 7.020 3.307 2.343 5.648 . 0 0 "[ . 1 . 2]" 1
335 1 34 SER HB3 1 63 PHE QD . 2.400 . 4.005 3.075 5.372 . 0 0 "[ . 1 . 2]" 1
336 1 34 SER QB 1 55 LEU QD . . 6.820 2.482 1.986 4.014 . 0 0 "[ . 1 . 2]" 1
337 1 34 SER QB 1 63 PHE QD . 2.300 6.950 3.680 2.918 4.960 . 0 0 "[ . 1 . 2]" 1
338 1 35 ASP H 1 36 ILE H . 3.470 5.950 3.706 3.399 3.967 0.071 7 0 "[ . 1 . 2]" 1
339 1 35 ASP HB2 1 36 ILE H . 2.570 4.990 4.515 4.328 4.675 . 0 0 "[ . 1 . 2]" 1
340 1 35 ASP HB3 1 36 ILE H . 2.570 4.990 4.427 4.266 4.616 . 0 0 "[ . 1 . 2]" 1
341 1 35 ASP QB 1 36 ILE H . 2.410 5.010 3.979 3.894 4.076 . 0 0 "[ . 1 . 2]" 1
342 1 36 ILE H 1 36 ILE HB . 3.240 . 2.659 2.596 2.702 0.644 4 20 [-**+****************] 1
343 1 36 ILE H 1 36 ILE MG . 2.220 4.830 2.099 2.049 2.225 0.171 9 0 "[ . 1 . 2]" 1
344 1 36 ILE H 1 85 HIS HD2 . 3.270 5.610 3.756 3.433 4.171 . 0 0 "[ . 1 . 2]" 1
345 1 36 ILE HA 1 36 ILE MD . 2.850 5.910 3.635 3.544 3.702 . 0 0 "[ . 1 . 2]" 1
346 1 36 ILE HA 1 36 ILE MG . 2.560 . 3.234 3.218 3.246 . 0 0 "[ . 1 . 2]" 1
347 1 36 ILE HB 1 36 ILE MD . 2.380 5.110 2.317 2.252 2.390 0.128 9 0 "[ . 1 . 2]" 1
348 1 36 ILE HB 1 37 GLU H . 2.590 4.430 4.001 3.868 4.114 . 0 0 "[ . 1 . 2]" 1
349 1 36 ILE HB 1 38 VAL QG . 3.500 7.020 4.178 3.935 4.435 . 0 0 "[ . 1 . 2]" 1
350 1 36 ILE HG12 1 37 GLU H . 2.040 3.550 2.279 2.122 2.449 . 0 0 "[ . 1 . 2]" 1
351 1 36 ILE HG12 1 85 HIS HD2 . 2.050 . 4.437 3.976 4.649 . 0 0 "[ . 1 . 2]" 1
352 1 36 ILE HG13 1 37 GLU H . 2.040 3.550 2.514 2.161 2.771 . 0 0 "[ . 1 . 2]" 1
353 1 36 ILE HG13 1 85 HIS HD2 . 2.050 . 2.956 2.434 3.242 . 0 0 "[ . 1 . 2]" 1
354 1 36 ILE MD 1 37 GLU H . 3.080 6.300 3.826 3.656 3.993 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE MD 1 38 VAL QG . 3.090 7.330 2.286 2.069 2.753 1.021 19 18 "[******* *****-***+*]" 1
356 1 36 ILE MD 1 83 VAL QG . 3.500 6.530 2.311 2.112 2.519 1.388 4 20 [-**+****************] 1
357 1 36 ILE MD 1 85 HIS QB . . 7.710 3.164 2.593 3.953 . 0 0 "[ . 1 . 2]" 1
358 1 36 ILE MD 1 85 HIS HD2 . 2.420 5.170 3.559 3.236 3.881 . 0 0 "[ . 1 . 2]" 1
359 1 36 ILE QG 1 38 VAL QG . . 6.070 2.117 2.016 2.256 . 0 0 "[ . 1 . 2]" 1
360 1 36 ILE QG 1 85 HIS HD2 . . 4.280 2.914 2.414 3.179 . 0 0 "[ . 1 . 2]" 1
361 1 36 ILE MD 1 36 ILE MG . 2.490 6.300 2.122 2.075 2.184 0.415 18 0 "[ . 1 . 2]" 1
362 1 36 ILE MG 1 37 GLU H . 2.680 5.610 3.477 3.299 3.665 . 0 0 "[ . 1 . 2]" 1
363 1 36 ILE MG 1 65 LEU MD1 . 2.810 7.120 3.098 2.047 4.070 0.763 9 1 "[ . +1 . 2]" 1
364 1 36 ILE MG 1 65 LEU MD2 . 2.810 7.120 4.171 2.568 4.844 0.242 16 0 "[ . 1 . 2]" 1
365 1 36 ILE MG 1 65 LEU QD . 2.560 7.520 2.916 2.040 3.419 0.520 9 1 "[ . +1 . 2]" 1
366 1 36 ILE MG 1 67 TYR QE . 3.500 9.150 3.314 2.691 3.822 0.809 9 2 "[ . +1 -. 2]" 1
367 1 36 ILE MG 1 85 HIS HD2 . 2.670 5.600 4.157 3.960 4.455 . 0 0 "[ . 1 . 2]" 1
368 1 37 GLU H 1 37 GLU HB3 . 2.190 3.760 3.786 3.731 3.856 0.096 15 0 "[ . 1 . 2]" 1
369 1 37 GLU H 1 38 VAL QG . 3.160 6.430 3.571 3.402 3.726 . 0 0 "[ . 1 . 2]" 1
370 1 37 GLU H 1 84 ASN H . 2.340 4.010 3.787 3.373 4.082 0.072 2 0 "[ . 1 . 2]" 1
371 1 37 GLU HA 1 37 GLU QG . 2.140 4.550 2.599 2.418 3.135 . 0 0 "[ . 1 . 2]" 1
372 1 37 GLU HB2 1 38 VAL H . 2.470 4.240 4.447 4.422 4.466 0.226 19 0 "[ . 1 . 2]" 1
373 1 37 GLU HB2 1 84 ASN H . 2.190 3.750 3.629 3.085 3.830 0.080 15 0 "[ . 1 . 2]" 1
374 1 37 GLU HB2 1 84 ASN QB . . 5.590 2.161 2.077 2.279 . 0 0 "[ . 1 . 2]" 1
375 1 37 GLU QG 1 38 VAL H . 3.110 6.220 4.581 4.411 4.969 . 0 0 "[ . 1 . 2]" 1
376 1 38 VAL H 1 38 VAL HB . 2.120 3.630 2.582 2.513 2.651 . 0 0 "[ . 1 . 2]" 1
377 1 38 VAL H 1 38 VAL QG . 2.790 4.990 2.274 2.171 2.350 0.619 7 13 "[ *****+ 1 **- ****]" 1
378 1 38 VAL HA 1 38 VAL QG . 2.190 4.710 2.090 2.053 2.124 0.137 11 0 "[ . 1 . 2]" 1
379 1 38 VAL HB 1 39 ASP H . 2.490 4.280 4.445 4.421 4.458 0.178 17 0 "[ . 1 . 2]" 1
380 1 38 VAL HB 1 67 TYR QD . 3.260 7.710 3.527 3.234 3.878 0.026 7 0 "[ . 1 . 2]" 1
381 1 38 VAL HB 1 67 TYR QE . 2.530 6.460 3.197 2.979 3.625 . 0 0 "[ . 1 . 2]" 1
382 1 38 VAL QG 1 39 ASP H . 3.500 5.250 3.438 3.254 3.674 0.246 10 0 "[ . 1 . 2]" 1
383 1 38 VAL QG 1 40 LEU QD . 3.320 8.820 2.653 2.224 4.243 1.096 8 15 "[- **** +***** .*** *]" 1
384 1 38 VAL QG 1 67 TYR HB2 . . 7.020 2.794 2.479 3.204 . 0 0 "[ . 1 . 2]" 1
385 1 38 VAL QG 1 67 TYR HB3 . . 7.020 3.230 2.898 3.600 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL QG 1 67 TYR QD . 3.170 7.910 2.630 2.387 2.982 0.783 9 15 "[** * - +****** ****]" 1
387 1 38 VAL QG 1 67 TYR QE . 3.500 7.840 2.413 2.235 2.720 1.265 16 20 [***-***********+****] 1
388 1 38 VAL QG 1 82 ARG H . 3.360 6.790 3.729 3.325 4.364 0.035 6 0 "[ . 1 . 2]" 1
389 1 38 VAL QG 1 83 VAL HA . 2.870 5.520 2.783 2.466 3.480 0.404 6 0 "[ . 1 . 2]" 1
390 1 38 VAL QG 1 83 VAL QG . 3.500 6.890 2.137 1.950 2.462 1.550 9 20 [********+*******-***] 1
391 1 39 ASP H 1 39 ASP HB2 . 2.340 . 2.621 2.317 3.652 0.023 20 0 "[ . 1 . 2]" 1
392 1 39 ASP H 1 39 ASP HB3 . 2.340 . 2.986 2.294 3.677 0.046 4 0 "[ . 1 . 2]" 1
393 1 39 ASP H 1 82 ARG H . 2.380 4.070 4.114 3.999 4.207 0.137 5 0 "[ . 1 . 2]" 1
394 1 39 ASP HA 1 50 VAL QG . 3.190 6.480 3.848 2.930 4.770 0.260 5 0 "[ . 1 . 2]" 1
395 1 39 ASP HB2 1 41 LEU MD2 . 3.000 6.430 4.692 3.574 5.302 . 0 0 "[ . 1 . 2]" 1
396 1 39 ASP HB3 1 41 LEU MD2 . 3.000 6.430 4.075 3.348 4.993 . 0 0 "[ . 1 . 2]" 1
397 1 39 ASP QB 1 41 LEU MD2 . 2.740 6.590 3.794 3.206 4.450 . 0 0 "[ . 1 . 2]" 1
398 1 40 LEU H 1 40 LEU HG . 2.360 4.040 2.961 2.230 3.624 0.130 17 0 "[ . 1 . 2]" 1
399 1 40 LEU H 1 40 LEU QD . 2.570 6.510 2.249 1.886 2.855 0.684 5 10 "[* **+ *-1*** . *]" 1
400 1 40 LEU HA 1 40 LEU HG . 3.180 . 3.650 3.566 3.731 . 0 0 "[ . 1 . 2]" 1
401 1 40 LEU HA 1 40 LEU QD . 2.290 6.030 3.430 3.396 3.459 . 0 0 "[ . 1 . 2]" 1
402 1 40 LEU HA 1 82 ARG H . 2.220 3.810 2.012 1.901 2.236 0.319 13 0 "[ . 1 . 2]" 1
403 1 40 LEU HG 1 41 LEU MD2 . 2.780 5.790 4.742 4.618 4.849 . 0 0 "[ . 1 . 2]" 1
404 1 40 LEU QD 1 41 LEU H . 2.710 6.740 3.563 2.927 3.869 . 0 0 "[ . 1 . 2]" 1
405 1 40 LEU QD 1 50 VAL QG . 2.940 8.150 1.958 1.793 2.259 1.147 2 20 [*+****-*************] 1
406 1 40 LEU QD 1 67 TYR QB . . 7.960 2.477 2.003 4.192 . 0 0 "[ . 1 . 2]" 1
407 1 40 LEU QD 1 68 TYR HA . 2.880 7.040 4.299 3.370 5.238 . 0 0 "[ . 1 . 2]" 1
408 1 40 LEU QD 1 69 THR H . 3.500 8.100 3.236 2.791 3.785 0.709 1 4 "[+ * 1- . *]" 1
409 1 40 LEU QD 1 69 THR HB . 2.670 6.680 2.345 2.155 2.868 0.515 18 1 "[ . 1 . + 2]" 1
410 1 40 LEU QD 1 81 CYS HA . 2.560 6.490 3.673 3.390 3.952 . 0 0 "[ . 1 . 2]" 1
411 1 40 LEU QD 1 81 CYS QB . . 7.600 3.934 3.741 4.120 . 0 0 "[ . 1 . 2]" 1
412 1 40 LEU QD 1 82 ARG H . 3.500 8.100 4.336 4.036 4.656 . 0 0 "[ . 1 . 2]" 1
413 1 41 LEU H 1 41 LEU HA . 2.390 . 2.985 2.962 2.993 . 0 0 "[ . 1 . 2]" 1
414 1 41 LEU H 1 41 LEU MD1 . 2.870 5.940 4.011 3.860 4.145 . 0 0 "[ . 1 . 2]" 1
415 1 41 LEU H 1 41 LEU MD2 . 3.500 7.020 3.603 3.424 3.800 0.076 18 0 "[ . 1 . 2]" 1
416 1 41 LEU H 1 80 ALA H . 2.240 3.840 3.538 3.265 3.878 0.038 8 0 "[ . 1 . 2]" 1
417 1 41 LEU H 1 81 CYS HA . 2.180 3.740 3.229 2.808 3.720 . 0 0 "[ . 1 . 2]" 1
418 1 41 LEU HA 1 41 LEU HB2 . 2.240 . 3.037 3.028 3.046 . 0 0 "[ . 1 . 2]" 1
419 1 41 LEU HA 1 41 LEU HB3 . 2.240 . 2.425 2.393 2.454 . 0 0 "[ . 1 . 2]" 1
420 1 41 LEU HA 1 41 LEU MD1 . 2.780 5.790 3.908 3.838 3.950 . 0 0 "[ . 1 . 2]" 1
421 1 41 LEU HA 1 41 LEU MD2 . 2.110 4.640 2.251 2.190 2.402 . 0 0 "[ . 1 . 2]" 1
422 1 41 LEU HA 1 46 ARG HA . 2.650 4.540 2.889 2.361 3.919 0.289 10 0 "[ . 1 . 2]" 1
423 1 41 LEU HA 1 47 ILE MD . 2.500 5.310 3.547 2.422 4.424 0.078 10 0 "[ . 1 . 2]" 1
424 1 41 LEU HB2 1 41 LEU MD2 . 2.420 . 3.249 3.235 3.270 . 0 0 "[ . 1 . 2]" 1
425 1 41 LEU HB3 1 41 LEU MD2 . 2.420 . 2.440 2.418 2.481 0.002 7 0 "[ . 1 . 2]" 1
426 1 41 LEU MD1 1 42 LYS H . 2.940 6.060 4.477 4.087 4.690 . 0 0 "[ . 1 . 2]" 1
427 1 41 LEU MD1 1 44 GLY HA3 . 2.980 6.130 2.613 2.278 3.638 0.702 16 9 "[ ** * - * .+** *]" 1
428 1 41 LEU MD1 1 44 GLY HA2 . 3.190 6.480 4.091 3.664 5.160 . 0 0 "[ . 1 . 2]" 1
429 1 41 LEU MD1 1 82 ARG H . 3.500 7.020 4.905 4.215 5.570 . 0 0 "[ . 1 . 2]" 1
430 1 41 LEU MD2 1 45 GLU HA . 2.950 6.080 4.189 3.688 4.928 . 0 0 "[ . 1 . 2]" 1
431 1 41 LEU MD2 1 46 ARG H . 3.400 6.850 3.592 3.022 4.969 0.378 17 0 "[ . 1 . 2]" 1
432 1 41 LEU MD2 1 46 ARG HA . 2.640 5.550 2.291 2.077 3.868 0.563 4 7 "[* *+. 1 *- . * *]" 1
433 1 41 LEU MD2 1 46 ARG QD . . 7.700 3.848 2.241 5.464 . 0 0 "[ . 1 . 2]" 1
434 1 41 LEU MD2 1 82 ARG QB . . 7.620 3.603 3.071 4.554 . 0 0 "[ . 1 . 2]" 1
435 1 42 LYS HA 1 79 TYR QE . 3.500 8.130 3.960 3.179 5.237 0.321 8 0 "[ . 1 . 2]" 1
436 1 42 LYS HE2 1 42 LYS HG2 . 2.860 . 3.804 3.723 3.889 . 0 0 "[ . 1 . 2]" 1
437 1 42 LYS HE3 1 42 LYS HG2 . 2.860 . 3.436 2.558 4.284 0.302 19 0 "[ . 1 . 2]" 1
438 1 42 LYS HG2 1 43 ASN H . 2.860 5.340 5.219 4.662 5.501 0.161 13 0 "[ . 1 . 2]" 1
439 1 42 LYS HE2 1 42 LYS HG3 . 2.860 . 3.478 2.603 4.288 0.257 8 0 "[ . 1 . 2]" 1
440 1 42 LYS HE3 1 42 LYS HG3 . 2.860 . 3.471 3.013 3.839 . 0 0 "[ . 1 . 2]" 1
441 1 42 LYS HG3 1 43 ASN H . 2.860 5.340 4.827 4.496 5.279 . 0 0 "[ . 1 . 2]" 1
442 1 42 LYS QB 1 79 TYR QE . . 7.460 2.248 2.044 3.014 . 0 0 "[ . 1 . 2]" 1
443 1 42 LYS QD 1 79 TYR QD . . 7.520 3.969 2.803 4.879 . 0 0 "[ . 1 . 2]" 1
444 1 42 LYS QD 1 79 TYR QE . . 7.320 2.978 2.144 4.183 . 0 0 "[ . 1 . 2]" 1
445 1 42 LYS QE 1 69 THR MG . . 6.920 4.982 4.475 5.111 . 0 0 "[ . 1 . 2]" 1
446 1 42 LYS QG 1 43 ASN H . 2.650 5.420 4.439 4.224 4.571 . 0 0 "[ . 1 . 2]" 1
447 1 42 LYS QG 1 79 TYR QE . . 7.990 3.918 2.623 4.294 . 0 0 "[ . 1 . 2]" 1
448 1 43 ASN H 1 78 GLU H . 2.560 4.390 3.871 3.345 4.577 0.187 8 0 "[ . 1 . 2]" 1
449 1 43 ASN H 1 79 TYR HA . 2.530 4.340 3.293 2.417 4.346 0.113 5 0 "[ . 1 . 2]" 1
450 1 43 ASN HA 1 43 ASN HB2 . 2.420 . 2.798 2.426 3.049 . 0 0 "[ . 1 . 2]" 1
451 1 43 ASN HA 1 78 GLU H . 3.090 5.300 3.865 3.045 5.032 0.045 3 0 "[ . 1 . 2]" 1
452 1 43 ASN QD 1 77 ASP HA . . 4.740 2.748 1.946 4.163 . 0 0 "[ . 1 . 2]" 1
453 1 43 ASN QD 1 78 GLU H . . 5.560 2.962 1.798 4.316 . 0 0 "[ . 1 . 2]" 1
454 1 44 GLY HA3 1 45 GLU H . 2.250 . 3.554 3.463 3.609 . 0 0 "[ . 1 . 2]" 1
455 1 44 GLY HA2 1 45 GLU H . 3.470 . 3.151 3.049 3.304 0.421 4 0 "[ . 1 . 2]" 1
456 1 45 GLU H 1 45 GLU HG2 . 2.080 . 2.796 2.111 3.433 . 0 0 "[ . 1 . 2]" 1
457 1 45 GLU H 1 45 GLU HG3 . 2.080 . 2.873 2.093 3.968 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLU H 1 45 GLU QG . 2.030 4.360 2.176 2.048 2.681 . 0 0 "[ . 1 . 2]" 1
459 1 45 GLU HA 1 45 GLU HG2 . 2.120 . 3.004 2.558 3.821 . 0 0 "[ . 1 . 2]" 1
460 1 45 GLU HA 1 45 GLU HG3 . 2.120 . 3.486 3.136 3.809 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLU HB2 1 46 ARG H . 2.580 . 3.980 2.806 4.336 . 0 0 "[ . 1 . 2]" 1
462 1 45 GLU HB3 1 46 ARG H . 2.580 . 3.313 2.412 4.140 0.168 19 0 "[ . 1 . 2]" 1
463 1 45 GLU HG2 1 46 ARG H . 3.130 . 4.842 4.261 5.328 . 0 0 "[ . 1 . 2]" 1
464 1 45 GLU HG3 1 46 ARG H . 3.130 . 5.182 3.365 5.657 . 0 0 "[ . 1 . 2]" 1
465 1 45 GLU QB 1 46 ARG H . 2.420 5.040 3.082 2.371 3.459 0.049 19 0 "[ . 1 . 2]" 1
466 1 45 GLU QG 1 46 ARG H . 2.920 5.890 4.411 3.253 4.878 . 0 0 "[ . 1 . 2]" 1
467 1 46 ARG H 1 46 ARG HA . 2.300 . 2.890 2.854 2.967 . 0 0 "[ . 1 . 2]" 1
468 1 46 ARG QB 1 47 ILE H . 2.380 4.960 3.364 2.726 3.941 . 0 0 "[ . 1 . 2]" 1
469 1 46 ARG QG 1 47 ILE H . . 5.730 3.284 2.223 4.348 . 0 0 "[ . 1 . 2]" 1
470 1 47 ILE H 1 47 ILE HA . 2.330 . 2.930 2.855 2.953 . 0 0 "[ . 1 . 2]" 1
471 1 47 ILE H 1 47 ILE MD . 2.540 5.380 3.438 1.955 4.178 0.585 19 1 "[ . 1 . +2]" 1
472 1 47 ILE H 1 47 ILE MG . 2.570 5.430 3.683 1.965 3.824 0.605 15 1 "[ . 1 + 2]" 1
473 1 47 ILE HA 1 47 ILE HB . 2.940 . 3.011 2.454 3.052 0.486 15 0 "[ . 1 . 2]" 1
474 1 47 ILE HA 1 47 ILE MG . 2.420 5.160 2.428 2.263 3.269 0.157 17 0 "[ . 1 . 2]" 1
475 1 47 ILE HA 1 50 VAL QG . 3.340 6.750 4.731 4.150 5.146 . 0 0 "[ . 1 . 2]" 1
476 1 47 ILE HB 1 50 VAL QG . 2.320 4.990 2.904 2.152 3.771 0.168 20 0 "[ . 1 . 2]" 1
477 1 47 ILE MD 1 50 VAL HA . 3.500 7.020 5.227 4.495 5.803 . 0 0 "[ . 1 . 2]" 1
478 1 47 ILE MD 1 79 TYR QD . 2.680 7.740 3.836 3.355 4.604 . 0 0 "[ . 1 . 2]" 1
479 1 47 ILE MD 1 79 TYR QE . 2.710 7.790 4.394 3.234 5.047 . 0 0 "[ . 1 . 2]" 1
480 1 47 ILE MG 1 49 LYS H . 2.470 5.260 2.405 1.858 3.112 0.612 11 1 "[ . 1+ . 2]" 1
481 1 48 GLU H 1 48 GLU HG2 . 3.230 5.740 4.197 3.660 4.673 . 0 0 "[ . 1 . 2]" 1
482 1 48 GLU H 1 48 GLU HG3 . 3.230 5.740 3.830 2.623 4.561 0.607 14 3 "[ .* 1 +. - 2]" 1
483 1 48 GLU H 1 48 GLU QG . 2.930 5.900 3.508 2.580 4.111 0.350 14 0 "[ . 1 . 2]" 1
484 1 48 GLU H 1 49 LYS H . 2.150 3.690 3.106 2.236 3.792 0.102 15 0 "[ . 1 . 2]" 1
485 1 48 GLU HA 1 48 GLU HG2 . 2.430 . 3.203 2.415 3.713 0.015 6 0 "[ . 1 . 2]" 1
486 1 48 GLU HA 1 48 GLU HG3 . 2.430 . 2.646 2.356 3.138 0.074 19 0 "[ . 1 . 2]" 1
487 1 48 GLU HA 1 49 LYS H . 2.220 . 2.918 2.320 3.604 . 0 0 "[ . 1 . 2]" 1
488 1 48 GLU HA 1 50 VAL QG . 3.500 7.020 3.801 3.151 5.619 0.349 4 0 "[ . 1 . 2]" 1
489 1 48 GLU QG 1 49 LYS H . . 6.690 4.442 3.299 4.878 . 0 0 "[ . 1 . 2]" 1
490 1 49 LYS H 1 50 VAL H . 2.280 3.900 2.982 2.436 3.852 . 0 0 "[ . 1 . 2]" 1
491 1 49 LYS HA 1 50 VAL QG . 3.100 6.340 4.109 3.660 4.342 . 0 0 "[ . 1 . 2]" 1
492 1 50 VAL H 1 50 VAL QG . 3.470 5.360 2.298 2.115 2.603 1.355 14 20 [****-********+******] 1
493 1 50 VAL H 1 51 GLU H . 3.040 5.210 4.461 4.196 4.580 . 0 0 "[ . 1 . 2]" 1
494 1 50 VAL HA 1 50 VAL QG . 2.400 5.100 2.119 2.089 2.145 0.311 11 0 "[ . 1 . 2]" 1
495 1 50 VAL HA 1 69 THR HB . 2.430 4.160 3.649 2.704 4.270 0.110 1 0 "[ . 1 . 2]" 1
496 1 50 VAL HB 1 51 GLU H . 2.120 4.100 4.234 4.092 4.397 0.297 11 0 "[ . 1 . 2]" 1
497 1 50 VAL HB 1 67 TYR QD . 3.210 7.640 4.494 3.764 4.786 . 0 0 "[ . 1 . 2]" 1
498 1 50 VAL QG 1 51 GLU H . 3.500 5.580 2.773 2.480 3.167 1.020 16 16 "[ ***** *** ***+-***]" 1
499 1 50 VAL QG 1 67 TYR QB . . 7.160 2.787 2.209 3.205 . 0 0 "[ . 1 . 2]" 1
500 1 50 VAL QG 1 67 TYR QD . 2.500 7.440 2.117 1.987 2.237 0.513 18 1 "[ . 1 . + 2]" 1
501 1 50 VAL QG 1 67 TYR QE . 3.270 8.750 3.268 2.679 3.931 0.591 7 2 "[ . + -1 . 2]" 1
502 1 50 VAL QG 1 68 TYR H . 2.920 6.030 4.278 3.381 4.901 . 0 0 "[ . 1 . 2]" 1
503 1 50 VAL QG 1 69 THR HB . 3.500 6.980 3.632 2.131 4.437 1.369 19 1 "[ . 1 . +2]" 1
504 1 51 GLU H 1 51 GLU HB2 . 2.160 3.700 2.554 2.427 2.749 . 0 0 "[ . 1 . 2]" 1
505 1 51 GLU H 1 51 GLU HB3 . 2.450 4.200 3.711 3.643 3.830 . 0 0 "[ . 1 . 2]" 1
506 1 51 GLU H 1 51 GLU QG . 2.570 5.290 2.888 2.491 3.710 0.079 1 0 "[ . 1 . 2]" 1
507 1 51 GLU H 1 68 TYR H . 2.160 3.700 3.788 3.716 3.897 0.197 4 0 "[ . 1 . 2]" 1
508 1 51 GLU H 1 69 THR HA . 3.020 5.180 3.816 2.980 4.449 0.040 19 0 "[ . 1 . 2]" 1
509 1 51 GLU H 1 69 THR HB . 3.500 6.000 4.415 3.685 5.028 . 0 0 "[ . 1 . 2]" 1
510 1 51 GLU HA 1 51 GLU HB2 . 2.600 . 3.034 3.018 3.052 . 0 0 "[ . 1 . 2]" 1
511 1 51 GLU HA 1 51 GLU QG . 2.120 4.520 2.545 2.376 3.179 . 0 0 "[ . 1 . 2]" 1
512 1 51 GLU HB2 1 52 HIS H . 2.640 4.530 3.916 3.283 4.270 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLU HB2 1 68 TYR H . 2.210 3.790 3.397 2.091 3.851 0.119 4 0 "[ . 1 . 2]" 1
514 1 51 GLU HB2 1 68 TYR QD . 3.500 8.130 3.388 3.186 3.566 0.314 12 0 "[ . 1 . 2]" 1
515 1 51 GLU HB2 1 68 TYR QE . 2.980 7.250 3.400 3.112 4.104 . 0 0 "[ . 1 . 2]" 1
516 1 51 GLU HB3 1 68 TYR H . 3.040 5.200 4.505 3.120 4.916 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLU QG 1 52 HIS H . 2.650 5.430 4.146 3.541 4.820 . 0 0 "[ . 1 . 2]" 1
518 1 51 GLU QG 1 68 TYR QE . 3.300 8.670 3.918 2.624 4.500 0.676 5 1 "[ + 1 . 2]" 1
519 1 52 HIS H 1 52 HIS HA . 2.340 . 2.945 2.900 2.991 . 0 0 "[ . 1 . 2]" 1
520 1 52 HIS H 1 52 HIS HD2 . 2.420 4.140 3.583 2.389 4.234 0.094 8 0 "[ . 1 . 2]" 1
521 1 52 HIS H 1 52 HIS HE1 . 3.110 5.330 4.897 4.353 5.373 0.043 19 0 "[ . 1 . 2]" 1
522 1 52 HIS HA 1 67 TYR QE . 3.300 7.790 5.102 4.395 5.798 . 0 0 "[ . 1 . 2]" 1
523 1 52 HIS HA 1 68 TYR QD . 3.040 7.350 3.745 2.643 4.865 0.397 17 0 "[ . 1 . 2]" 1
524 1 52 HIS HA 1 68 TYR QE . 2.660 6.680 3.666 2.474 4.837 0.186 11 0 "[ . 1 . 2]" 1
525 1 52 HIS QB 1 68 TYR QD . . 8.690 5.217 4.162 6.234 . 0 0 "[ . 1 . 2]" 1
526 1 53 SER H 1 53 SER HB2 . 2.170 . 2.917 2.393 3.643 . 0 0 "[ . 1 . 2]" 1
527 1 53 SER H 1 53 SER HB3 . 2.170 . 2.843 2.445 3.940 . 0 0 "[ . 1 . 2]" 1
528 1 53 SER H 1 65 LEU HG . 2.640 4.520 4.280 3.618 4.625 0.105 9 0 "[ . 1 . 2]" 1
529 1 53 SER H 1 68 TYR QD . 3.500 8.130 4.735 3.678 5.838 . 0 0 "[ . 1 . 2]" 1
530 1 53 SER H 1 68 TYR QE . 3.500 8.130 4.202 2.922 5.473 0.578 12 1 "[ . 1 + . 2]" 1
531 1 53 SER HB2 1 54 ASP H . 2.210 . 3.751 2.020 4.639 0.190 4 0 "[ . 1 . 2]" 1
532 1 53 SER HB3 1 54 ASP H . 2.210 . 3.813 2.606 4.498 . 0 0 "[ . 1 . 2]" 1
533 1 53 SER QB 1 54 ASP H . 2.150 4.560 3.268 1.955 3.994 0.195 4 0 "[ . 1 . 2]" 1
534 1 54 ASP H 1 54 ASP HB2 . 2.690 . 3.181 2.505 3.986 0.185 13 0 "[ . 1 . 2]" 1
535 1 54 ASP H 1 54 ASP HB3 . 2.690 . 3.416 2.480 4.048 0.210 8 0 "[ . 1 . 2]" 1
536 1 54 ASP H 1 54 ASP QB . 2.560 . 2.826 2.283 3.445 0.277 8 0 "[ . 1 . 2]" 1
537 1 55 LEU HA 1 55 LEU QB . 2.300 . 2.409 2.378 2.431 . 0 0 "[ . 1 . 2]" 1
538 1 55 LEU HA 1 55 LEU MD1 . 2.010 5.630 2.326 2.166 3.612 . 0 0 "[ . 1 . 2]" 1
539 1 55 LEU HA 1 55 LEU MD2 . 2.010 5.630 3.819 2.851 3.908 . 0 0 "[ . 1 . 2]" 1
540 1 55 LEU HG 1 56 SER H . 2.230 3.820 3.976 3.922 4.074 0.254 19 0 "[ . 1 . 2]" 1
541 1 55 LEU HG 1 63 PHE QD . 2.210 5.920 2.973 2.275 4.031 . 0 0 "[ . 1 . 2]" 1
542 1 55 LEU QB 1 55 LEU MD1 . 2.230 5.830 2.215 2.085 2.277 0.145 19 0 "[ . 1 . 2]" 1
543 1 55 LEU QB 1 55 LEU MD2 . 2.110 5.830 2.121 2.080 2.322 0.030 3 0 "[ . 1 . 2]" 1
544 1 55 LEU MD1 1 63 PHE QD . 2.720 7.860 2.912 2.294 4.215 0.426 5 0 "[ . 1 . 2]" 1
545 1 55 LEU MD2 1 63 PHE QD . 2.720 7.860 3.268 2.150 4.166 0.570 19 1 "[ . 1 . +2]" 1
546 1 55 LEU QD 1 57 PHE HZ . . 7.900 2.877 2.264 4.951 . 0 0 "[ . 1 . 2]" 1
547 1 55 LEU QD 1 57 PHE QE . . 10.150 2.989 2.330 4.571 . 0 0 "[ . 1 . 2]" 1
548 1 55 LEU QD 1 63 PHE QE . . 10.150 3.313 2.589 3.889 . 0 0 "[ . 1 . 2]" 1
549 1 55 LEU QD 1 64 TYR H . . 7.690 4.842 4.297 5.229 . 0 0 "[ . 1 . 2]" 1
550 1 56 SER H 1 64 TYR H . 2.870 4.920 3.897 3.464 4.454 . 0 0 "[ . 1 . 2]" 1
551 1 56 SER H 1 64 TYR QD . 3.500 8.130 4.741 4.483 5.029 . 0 0 "[ . 1 . 2]" 1
552 1 56 SER HB2 1 64 TYR QE . 2.610 6.840 3.368 2.810 4.445 . 0 0 "[ . 1 . 2]" 1
553 1 56 SER HB3 1 64 TYR QE . 2.610 6.840 3.040 2.650 3.464 . 0 0 "[ . 1 . 2]" 1
554 1 56 SER QB 1 64 TYR QD . . 8.820 3.312 3.060 3.685 . 0 0 "[ . 1 . 2]" 1
555 1 56 SER QB 1 64 TYR QE . 2.380 7.100 2.809 2.437 3.349 . 0 0 "[ . 1 . 2]" 1
556 1 57 PHE H 1 57 PHE HA . 2.630 . 2.938 2.909 2.953 . 0 0 "[ . 1 . 2]" 1
557 1 57 PHE H 1 57 PHE QB . 2.170 4.600 2.455 2.346 2.541 . 0 0 "[ . 1 . 2]" 1
558 1 57 PHE H 1 57 PHE QD . 2.700 8.130 2.406 2.062 2.742 0.638 11 3 "[* . 1+ -. 2]" 1
559 1 57 PHE H 1 58 SER H . 2.780 4.770 4.415 3.813 4.573 . 0 0 "[ . 1 . 2]" 1
560 1 57 PHE HA 1 57 PHE QD . 2.580 6.550 2.824 2.550 3.109 0.030 19 0 "[ . 1 . 2]" 1
561 1 57 PHE HA 1 63 PHE HA . 2.270 3.890 3.220 2.800 3.646 . 0 0 "[ . 1 . 2]" 1
562 1 57 PHE HA 1 63 PHE QD . 2.550 6.500 3.588 3.038 4.275 . 0 0 "[ . 1 . 2]" 1
563 1 57 PHE HA 1 64 TYR H . 2.590 4.440 3.994 3.568 4.529 0.089 16 0 "[ . 1 . 2]" 1
564 1 57 PHE HA 1 64 TYR QD . 3.340 7.850 3.913 3.447 4.518 . 0 0 "[ . 1 . 2]" 1
565 1 57 PHE QB 1 63 PHE HA . 3.500 6.880 5.075 4.724 5.467 . 0 0 "[ . 1 . 2]" 1
566 1 57 PHE QB 1 63 PHE QD . 2.480 7.260 4.640 4.049 5.117 . 0 0 "[ . 1 . 2]" 1
567 1 57 PHE QB 1 63 PHE QE . 3.500 9.010 4.827 4.362 5.662 . 0 0 "[ . 1 . 2]" 1
568 1 57 PHE QD 1 58 SER H . 3.500 8.130 4.536 4.318 4.906 . 0 0 "[ . 1 . 2]" 1
569 1 57 PHE QD 1 63 PHE HA . 3.160 7.560 4.372 3.810 5.390 . 0 0 "[ . 1 . 2]" 1
570 1 57 PHE QD 1 63 PHE QD . 2.390 8.360 2.968 2.501 4.406 . 0 0 "[ . 1 . 2]" 1
571 1 58 SER H 1 62 SER H . 3.120 5.360 3.724 2.684 5.102 0.436 5 0 "[ . 1 . 2]" 1
572 1 58 SER H 1 64 TYR H . 2.790 4.790 3.849 3.502 4.210 . 0 0 "[ . 1 . 2]" 1
573 1 58 SER H 1 64 TYR QD . 2.850 7.020 2.845 2.314 3.563 0.536 16 1 "[ . 1 .+ 2]" 1
574 1 58 SER H 1 64 TYR QE . 3.500 8.130 3.451 2.582 4.224 0.918 16 2 "[ - 1 .+ 2]" 1
575 1 58 SER HB2 1 64 TYR QD . 2.550 6.930 3.526 2.280 4.333 0.270 1 0 "[ . 1 . 2]" 1
576 1 58 SER HB2 1 64 TYR QE . 2.720 . 4.211 2.389 5.269 0.331 3 0 "[ . 1 . 2]" 1
577 1 58 SER HB3 1 64 TYR QD . 2.550 6.930 3.761 2.245 4.509 0.305 9 0 "[ . 1 . 2]" 1
578 1 58 SER HB3 1 64 TYR QE . 2.720 . 4.327 2.973 4.945 . 0 0 "[ . 1 . 2]" 1
579 1 58 SER QB 1 62 SER H . . 6.330 4.008 2.008 5.623 . 0 0 "[ . 1 . 2]" 1
580 1 58 SER QB 1 64 TYR QD . 2.370 7.070 3.013 2.233 3.891 0.137 9 0 "[ . 1 . 2]" 1
581 1 58 SER QB 1 64 TYR QE . 3.340 7.530 3.648 2.369 4.534 0.971 3 3 "[ + * - . 2]" 1
582 1 59 LYS HA 1 59 LYS QD . 3.500 6.880 4.217 3.504 4.584 . 0 0 "[ . 1 . 2]" 1
583 1 59 LYS HA 1 59 LYS QG . 2.920 . 3.276 2.451 3.480 0.469 14 0 "[ . 1 . 2]" 1
584 1 59 LYS HA 1 60 ASP H . 2.780 . 3.218 2.591 3.616 0.189 8 0 "[ . 1 . 2]" 1
585 1 61 GLY HA2 1 62 SER H . 2.580 . 3.394 2.465 3.603 0.115 14 0 "[ . 1 . 2]" 1
586 1 61 GLY HA3 1 62 SER H . 2.580 . 2.927 2.346 3.615 0.234 16 0 "[ . 1 . 2]" 1
587 1 61 GLY QA 1 62 SER H . 2.520 . 2.651 2.315 3.004 0.205 16 0 "[ . 1 . 2]" 1
588 1 62 SER H 1 62 SER HB2 . 2.220 . 3.349 2.471 4.073 . 0 0 "[ . 1 . 2]" 1
589 1 62 SER H 1 62 SER HB3 . 2.220 . 3.553 2.461 4.031 . 0 0 "[ . 1 . 2]" 1
590 1 62 SER H 1 63 PHE H . 3.230 5.540 3.968 3.055 4.616 0.175 8 0 "[ . 1 . 2]" 1
591 1 62 SER HB2 1 63 PHE H . . . 3.929 2.401 4.544 . 0 0 "[ . 1 . 2]" 1
592 1 62 SER HB3 1 63 PHE H . . . 3.889 2.995 4.562 . 0 0 "[ . 1 . 2]" 1
593 1 62 SER QB 1 63 PHE H . . 4.250 3.348 2.374 3.857 . 0 0 "[ . 1 . 2]" 1
594 1 63 PHE H 1 63 PHE HB2 . 2.070 3.830 2.515 2.354 2.679 . 0 0 "[ . 1 . 2]" 1
595 1 63 PHE H 1 63 PHE HB3 . 2.070 3.830 3.587 3.545 3.624 . 0 0 "[ . 1 . 2]" 1
596 1 63 PHE H 1 63 PHE QD . 2.210 5.920 2.750 2.224 3.259 . 0 0 "[ . 1 . 2]" 1
597 1 63 PHE H 1 63 PHE QE . 2.830 6.980 4.338 4.072 4.709 . 0 0 "[ . 1 . 2]" 1
598 1 63 PHE HA 1 63 PHE QD . 2.190 5.880 2.556 2.274 3.035 . 0 0 "[ . 1 . 2]" 1
599 1 63 PHE HA 1 64 TYR QD . 3.090 7.430 3.885 3.555 4.264 . 0 0 "[ . 1 . 2]" 1
600 1 64 TYR H 1 64 TYR QD . 2.510 6.430 2.204 2.031 2.447 0.479 11 0 "[ . 1 . 2]" 1
601 1 64 TYR H 1 65 LEU H . 2.600 4.460 4.268 3.929 4.505 0.045 3 0 "[ . 1 . 2]" 1
602 1 64 TYR HA 1 64 TYR QD . 2.620 6.630 3.745 3.674 3.767 . 0 0 "[ . 1 . 2]" 1
603 1 64 TYR QB 1 65 LEU H . 2.530 3.830 3.558 3.358 3.717 . 0 0 "[ . 1 . 2]" 1
604 1 64 TYR QD 1 65 LEU H . 2.890 7.080 4.614 4.039 4.892 . 0 0 "[ . 1 . 2]" 1
605 1 64 TYR QD 1 65 LEU HA . 2.800 6.920 4.473 3.735 4.924 . 0 0 "[ . 1 . 2]" 1
606 1 65 LEU H 1 65 LEU QB . 2.750 . 2.316 2.176 2.437 0.574 2 6 "[ + . * * . **-]" 1
607 1 65 LEU H 1 65 LEU MD1 . 3.080 7.020 3.108 2.232 4.424 0.848 7 8 "[ ****+* 1 -.* 2]" 1
608 1 65 LEU H 1 65 LEU MD2 . 3.080 7.020 4.310 4.070 4.461 . 0 0 "[ . 1 . 2]" 1
609 1 65 LEU H 1 65 LEU QD . 2.890 7.050 2.957 2.225 3.898 0.665 7 7 "[ ****+- 1 .* 2]" 1
610 1 65 LEU H 1 66 LEU H . 2.690 4.620 4.494 4.171 4.619 . 0 0 "[ . 1 . 2]" 1
611 1 65 LEU HA 1 65 LEU MD1 . 2.710 5.750 3.432 2.294 3.764 0.416 19 0 "[ . 1 . 2]" 1
612 1 65 LEU HA 1 65 LEU MD2 . 2.710 5.750 2.900 2.272 3.671 0.438 17 0 "[ . 1 . 2]" 1
613 1 65 LEU HG 1 67 TYR QD . 2.860 . 5.800 4.906 6.248 . 0 0 "[ . 1 . 2]" 1
614 1 65 LEU HG 1 67 TYR QE . 2.790 6.920 4.775 4.340 5.081 . 0 0 "[ . 1 . 2]" 1
615 1 65 LEU MD1 1 67 TYR QD . 2.670 8.170 4.526 4.124 5.538 . 0 0 "[ . 1 . 2]" 1
616 1 65 LEU MD1 1 67 TYR QE . 2.470 8.090 2.918 2.348 4.337 0.122 14 0 "[ . 1 . 2]" 1
617 1 65 LEU MD2 1 67 TYR QD . 2.670 8.170 3.865 3.205 4.516 . 0 0 "[ . 1 . 2]" 1
618 1 65 LEU MD2 1 67 TYR QE . 2.470 8.090 2.964 2.378 3.539 0.092 19 0 "[ . 1 . 2]" 1
619 1 65 LEU QD 1 67 TYR QD . 2.480 8.460 3.626 3.115 4.133 . 0 0 "[ . 1 . 2]" 1
620 1 65 LEU QD 1 67 TYR QE . 2.340 8.240 2.513 2.200 2.880 0.140 7 0 "[ . 1 . 2]" 1
621 1 66 LEU HG 1 67 TYR H . 2.280 3.920 3.517 2.705 3.978 0.058 14 0 "[ . 1 . 2]" 1
622 1 66 LEU HG 1 68 TYR QD . 2.030 5.600 2.355 2.195 2.543 . 0 0 "[ . 1 . 2]" 1
623 1 66 LEU HG 1 68 TYR QE . 2.400 6.240 4.367 3.920 4.705 . 0 0 "[ . 1 . 2]" 1
624 1 66 LEU QB 1 66 LEU QD . 2.140 . 1.936 1.912 1.965 0.228 15 0 "[ . 1 . 2]" 1
625 1 66 LEU QB 1 67 TYR H . 2.600 5.330 3.778 2.580 4.106 0.020 18 0 "[ . 1 . 2]" 1
626 1 66 LEU QB 1 68 TYR QD . 3.500 9.010 3.256 2.628 4.256 0.872 4 4 "[ +. 1 - ** 2]" 1
627 1 66 LEU QB 1 68 TYR QE . 3.500 9.020 4.072 3.314 5.633 0.186 4 0 "[ . 1 . 2]" 1
628 1 66 LEU QD 1 68 TYR QD . 2.820 8.760 2.554 2.282 3.034 0.538 9 1 "[ . +1 . 2]" 1
629 1 66 LEU QD 1 68 TYR QE . . 9.770 3.174 2.752 3.799 . 0 0 "[ . 1 . 2]" 1
630 1 67 TYR H 1 67 TYR QD . 2.520 6.440 2.770 2.358 3.389 0.162 14 0 "[ . 1 . 2]" 1
631 1 67 TYR HA 1 67 TYR QD . 2.430 6.300 2.880 2.594 3.141 . 0 0 "[ . 1 . 2]" 1
632 1 67 TYR HA 1 68 TYR QD . 2.730 6.800 3.790 3.265 4.364 . 0 0 "[ . 1 . 2]" 1
633 1 68 TYR H 1 68 TYR HA . 2.650 . 2.940 2.916 2.958 . 0 0 "[ . 1 . 2]" 1
634 1 68 TYR H 1 68 TYR QD . 3.020 7.300 2.279 1.971 2.576 1.049 2 16 "[*+**. ** **** -*****]" 1
635 1 68 TYR HA 1 68 TYR QD . 3.060 7.380 3.767 3.707 3.803 . 0 0 "[ . 1 . 2]" 1
636 1 68 TYR HA 1 69 THR MG . 3.440 6.920 3.897 3.751 4.211 . 0 0 "[ . 1 . 2]" 1
637 1 68 TYR HB2 1 69 THR H . 2.340 4.010 3.828 3.171 4.169 0.159 12 0 "[ . 1 . 2]" 1
638 1 68 TYR QD 1 69 THR H . 3.500 8.130 4.783 3.994 5.021 . 0 0 "[ . 1 . 2]" 1
639 1 68 TYR QD 1 69 THR HA . 3.260 7.730 4.655 3.771 5.159 . 0 0 "[ . 1 . 2]" 1
640 1 69 THR H 1 69 THR MG . 2.440 5.210 2.056 1.957 2.277 0.483 8 0 "[ . 1 . 2]" 1
641 1 69 THR HA 1 69 THR MG . 2.820 . 3.252 3.235 3.269 . 0 0 "[ . 1 . 2]" 1
642 1 69 THR HB 1 70 GLU H . 2.770 4.760 3.920 3.566 4.182 . 0 0 "[ . 1 . 2]" 1
643 1 69 THR MG 1 71 PHE QB . . 6.740 2.484 2.176 3.056 . 0 0 "[ . 1 . 2]" 1
644 1 69 THR MG 1 71 PHE QD . 2.270 . 2.900 2.182 3.696 0.088 1 0 "[ . 1 . 2]" 1
645 1 69 THR MG 1 71 PHE QE . 2.270 . 4.614 3.872 5.337 . 0 0 "[ . 1 . 2]" 1
646 1 70 GLU H 1 70 GLU QG . 2.440 5.060 3.922 2.819 4.208 . 0 0 "[ . 1 . 2]" 1
647 1 71 PHE H 1 71 PHE HB2 . 2.360 4.070 3.631 3.554 3.680 . 0 0 "[ . 1 . 2]" 1
648 1 71 PHE H 1 71 PHE HB3 . 2.360 4.070 2.637 2.433 2.774 . 0 0 "[ . 1 . 2]" 1
649 1 71 PHE HB2 1 72 THR H . 2.110 . 3.018 2.753 3.359 . 0 0 "[ . 1 . 2]" 1
650 1 71 PHE HB3 1 72 THR H . 2.110 . 4.176 3.990 4.398 . 0 0 "[ . 1 . 2]" 1
651 1 71 PHE HZ 1 96 TRP HH2 . 2.570 4.400 3.457 2.966 4.029 . 0 0 "[ . 1 . 2]" 1
652 1 71 PHE HZ 1 96 TRP HZ2 . 2.580 4.420 2.791 2.555 3.068 0.025 6 0 "[ . 1 . 2]" 1
653 1 71 PHE QB 1 72 THR H . 2.040 4.380 2.950 2.709 3.256 . 0 0 "[ . 1 . 2]" 1
654 1 71 PHE QD 1 72 THR H . 2.010 . 3.846 3.397 4.304 . 0 0 "[ . 1 . 2]" 1
655 1 71 PHE QD 1 96 TRP HE3 . 2.180 . 5.602 5.035 6.276 . 0 0 "[ . 1 . 2]" 1
656 1 71 PHE QE 1 72 THR H . 2.010 . 5.898 5.493 6.170 . 0 0 "[ . 1 . 2]" 1
657 1 71 PHE QE 1 96 TRP HE3 . 2.180 . 4.546 3.641 5.008 . 0 0 "[ . 1 . 2]" 1
658 1 72 THR H 1 72 THR HA . 2.400 . 2.956 2.947 2.964 . 0 0 "[ . 1 . 2]" 1
659 1 72 THR H 1 72 THR MG . 3.500 7.020 3.798 3.760 3.816 . 0 0 "[ . 1 . 2]" 1
660 1 72 THR HA 1 72 THR HB . 2.410 . 3.012 3.000 3.033 . 0 0 "[ . 1 . 2]" 1
661 1 72 THR HA 1 72 THR MG . 2.100 4.630 2.330 2.271 2.410 . 0 0 "[ . 1 . 2]" 1
662 1 72 THR MG 1 74 THR HA . 2.340 5.030 3.648 2.865 4.029 . 0 0 "[ . 1 . 2]" 1
663 1 72 THR MG 1 74 THR MG . 3.500 8.040 3.892 2.107 5.031 1.393 14 3 "[ . 1* +. - 2]" 1
664 1 73 PRO HA 1 79 TYR QE . 2.670 6.700 2.592 2.186 3.024 0.484 9 0 "[ . 1 . 2]" 1
665 1 73 PRO QB 1 96 TRP HH2 . . 4.860 3.204 2.321 3.783 . 0 0 "[ . 1 . 2]" 1
666 1 73 PRO QB 1 96 TRP HZ3 . . 4.670 3.423 2.674 4.050 . 0 0 "[ . 1 . 2]" 1
667 1 73 PRO QG 1 96 TRP HH2 . . 4.910 3.691 3.006 4.394 . 0 0 "[ . 1 . 2]" 1
668 1 73 PRO QG 1 96 TRP HZ2 . . 6.320 4.983 4.119 5.561 . 0 0 "[ . 1 . 2]" 1
669 1 74 THR H 1 74 THR MG . 2.780 5.790 3.419 2.271 3.844 0.509 14 1 "[ . 1 +. 2]" 1
670 1 74 THR H 1 77 ASP QB . . 6.280 3.433 2.233 4.244 . 0 0 "[ . 1 . 2]" 1
671 1 74 THR HB 1 75 GLU H . 2.150 3.690 2.700 2.007 3.899 0.209 10 0 "[ . 1 . 2]" 1
672 1 75 GLU HA 1 75 GLU HG2 . 2.490 . 3.201 2.399 4.258 0.091 17 0 "[ . 1 . 2]" 1
673 1 75 GLU HA 1 75 GLU HG3 . 2.490 . 3.033 2.392 3.874 0.098 2 0 "[ . 1 . 2]" 1
674 1 75 GLU HA 1 75 GLU QB . 2.370 . 2.381 2.165 2.567 0.205 11 0 "[ . 1 . 2]" 1
675 1 75 GLU HA 1 76 LYS H . 2.440 . 3.022 2.212 3.607 0.228 8 0 "[ . 1 . 2]" 1
676 1 75 GLU HA 1 77 ASP H . 2.440 4.180 4.054 3.374 4.412 0.232 9 0 "[ . 1 . 2]" 1
677 1 76 LYS H 1 76 LYS QG . 2.690 5.490 3.627 2.104 4.387 0.586 7 1 "[ . + 1 . 2]" 1
678 1 76 LYS H 1 77 ASP H . . 3.330 2.991 1.928 3.445 0.115 4 0 "[ . 1 . 2]" 1
679 1 76 LYS HA 1 76 LYS QD . 2.510 5.170 3.807 2.137 4.232 0.373 10 0 "[ . 1 . 2]" 1
680 1 77 ASP HB2 1 78 GLU H . 2.280 . 3.655 2.270 4.465 0.010 20 0 "[ . 1 . 2]" 1
681 1 77 ASP HB3 1 78 GLU H . 2.280 . 3.208 2.235 4.344 0.045 18 0 "[ . 1 . 2]" 1
682 1 77 ASP QB 1 78 GLU H . 2.230 4.700 2.829 2.198 3.921 0.032 18 0 "[ . 1 . 2]" 1
683 1 77 ASP QB 1 79 TYR QE . . 7.690 2.516 2.160 3.508 . 0 0 "[ . 1 . 2]" 1
684 1 78 GLU H 1 79 TYR H . 3.130 5.370 4.054 3.131 4.576 . 0 0 "[ . 1 . 2]" 1
685 1 78 GLU HA 1 78 GLU QG . 3.500 . 3.527 3.378 3.629 0.122 10 0 "[ . 1 . 2]" 1
686 1 78 GLU HA 1 79 TYR QD . 3.500 8.130 3.522 2.806 4.168 0.694 10 1 "[ . + . 2]" 1
687 1 78 GLU HB2 1 79 TYR H . 2.840 4.950 3.551 3.015 4.274 . 0 0 "[ . 1 . 2]" 1
688 1 78 GLU HB3 1 79 TYR H . 2.840 4.950 4.304 4.041 4.578 . 0 0 "[ . 1 . 2]" 1
689 1 79 TYR H 1 79 TYR HA . 2.380 . 2.949 2.884 2.965 . 0 0 "[ . 1 . 2]" 1
690 1 79 TYR H 1 79 TYR HB2 . 2.360 4.050 2.425 2.348 2.550 0.012 16 0 "[ . 1 . 2]" 1
691 1 79 TYR H 1 79 TYR HB3 . 2.470 . 3.603 3.574 3.646 . 0 0 "[ . 1 . 2]" 1
692 1 79 TYR H 1 79 TYR QD . 2.790 6.910 2.364 2.155 2.601 0.635 19 8 "[ * * * *- *. +*]" 1
693 1 79 TYR H 1 80 ALA H . 3.500 6.000 4.572 4.462 4.654 . 0 0 "[ . 1 . 2]" 1
694 1 79 TYR H 1 96 TRP H . 3.310 5.680 4.964 4.355 5.556 . 0 0 "[ . 1 . 2]" 1
695 1 79 TYR H 1 96 TRP HB3 . 2.630 4.500 3.772 3.346 4.096 . 0 0 "[ . 1 . 2]" 1
696 1 79 TYR H 1 96 TRP HE3 . 2.350 4.020 2.867 2.368 3.294 . 0 0 "[ . 1 . 2]" 1
697 1 79 TYR HA 1 79 TYR HB2 . 2.460 . 3.029 3.010 3.044 . 0 0 "[ . 1 . 2]" 1
698 1 79 TYR HA 1 79 TYR HB3 . 2.540 . 2.453 2.382 2.526 0.158 2 0 "[ . 1 . 2]" 1
699 1 79 TYR HA 1 79 TYR QD . 2.460 6.340 2.804 2.599 3.118 . 0 0 "[ . 1 . 2]" 1
700 1 79 TYR HB2 1 80 ALA H . 2.590 4.450 4.111 3.792 4.363 . 0 0 "[ . 1 . 2]" 1
701 1 79 TYR HB2 1 96 TRP HZ3 . 3.100 5.310 4.161 3.868 4.440 . 0 0 "[ . 1 . 2]" 1
702 1 79 TYR HB3 1 80 ALA H . 2.250 3.860 3.133 2.732 3.536 . 0 0 "[ . 1 . 2]" 1
703 1 79 TYR HB3 1 96 TRP HE3 . 2.440 4.190 4.162 3.985 4.262 0.072 16 0 "[ . 1 . 2]" 1
704 1 79 TYR QD 1 80 ALA H . 3.030 7.330 4.064 3.855 4.594 . 0 0 "[ . 1 . 2]" 1
705 1 79 TYR QD 1 96 TRP HE3 . 2.120 5.770 2.519 2.212 3.409 . 0 0 "[ . 1 . 2]" 1
706 1 79 TYR QE 1 96 TRP HE3 . 3.050 7.360 4.729 4.322 5.652 . 0 0 "[ . 1 . 2]" 1
707 1 80 ALA H 1 80 ALA MB . 2.300 4.970 2.669 2.482 2.823 . 0 0 "[ . 1 . 2]" 1
708 1 80 ALA HA 1 96 TRP H . 2.050 3.510 2.980 2.401 3.419 . 0 0 "[ . 1 . 2]" 1
709 1 80 ALA MB 1 81 CYS H . 2.150 4.710 3.152 2.823 3.431 . 0 0 "[ . 1 . 2]" 1
710 1 80 ALA MB 1 81 CYS QB . . 6.860 4.605 4.359 4.867 . 0 0 "[ . 1 . 2]" 1
711 1 80 ALA MB 1 95 LYS HA . 2.070 4.560 3.295 2.618 3.641 . 0 0 "[ . 1 . 2]" 1
712 1 80 ALA MB 1 96 TRP H . 2.980 6.120 3.851 3.253 4.236 . 0 0 "[ . 1 . 2]" 1
713 1 81 CYS H 1 81 CYS HA . 2.280 . 2.933 2.884 2.944 . 0 0 "[ . 1 . 2]" 1
714 1 81 CYS H 1 93 ILE MG . 3.060 6.270 4.765 4.413 5.133 . 0 0 "[ . 1 . 2]" 1
715 1 81 CYS H 1 94 VAL HB . 2.300 3.950 2.803 2.253 3.172 0.047 10 0 "[ . 1 . 2]" 1
716 1 81 CYS HA 1 83 VAL QG . 3.500 7.020 4.171 4.015 4.476 . 0 0 "[ . 1 . 2]" 1
717 1 81 CYS HB2 1 82 ARG H . 2.650 . 4.405 4.287 4.561 . 0 0 "[ . 1 . 2]" 1
718 1 81 CYS HB3 1 82 ARG H . 2.650 . 3.971 3.380 4.314 . 0 0 "[ . 1 . 2]" 1
719 1 81 CYS QB 1 82 ARG H . 2.520 5.200 3.673 3.276 3.901 . 0 0 "[ . 1 . 2]" 1
720 1 81 CYS QB 1 94 VAL H . . 5.450 3.921 3.597 4.327 . 0 0 "[ . 1 . 2]" 1
721 1 81 CYS QB 1 94 VAL HB . . 5.000 2.573 2.228 3.059 . 0 0 "[ . 1 . 2]" 1
722 1 81 CYS QB 1 94 VAL MG1 . . 7.710 3.619 3.306 3.993 . 0 0 "[ . 1 . 2]" 1
723 1 82 ARG H 1 82 ARG HA . 2.350 . 2.946 2.938 2.954 . 0 0 "[ . 1 . 2]" 1
724 1 82 ARG H 1 82 ARG HB2 . 2.450 . 2.696 2.430 2.873 0.020 15 0 "[ . 1 . 2]" 1
725 1 82 ARG H 1 82 ARG HB3 . 2.450 . 2.445 2.270 3.628 0.180 3 0 "[ . 1 . 2]" 1
726 1 82 ARG H 1 82 ARG QG . . 4.970 3.875 2.507 4.062 . 0 0 "[ . 1 . 2]" 1
727 1 82 ARG H 1 83 VAL QG . 3.500 7.020 3.841 3.735 3.933 . 0 0 "[ . 1 . 2]" 1
728 1 82 ARG HA 1 82 ARG HB2 . 2.480 . 2.478 2.372 3.036 0.108 2 0 "[ . 1 . 2]" 1
729 1 82 ARG HA 1 82 ARG HB3 . 2.480 . 2.996 2.430 3.038 0.050 6 0 "[ . 1 . 2]" 1
730 1 82 ARG HA 1 82 ARG HG2 . 2.360 . 3.132 2.342 3.833 0.018 6 0 "[ . 1 . 2]" 1
731 1 82 ARG HA 1 82 ARG HG3 . 2.360 . 2.696 2.339 3.665 0.021 17 0 "[ . 1 . 2]" 1
732 1 82 ARG HA 1 82 ARG QB . 2.310 . 2.348 2.290 2.457 0.020 3 0 "[ . 1 . 2]" 1
733 1 82 ARG HA 1 93 ILE HA . 2.230 3.830 2.739 2.302 3.226 . 0 0 "[ . 1 . 2]" 1
734 1 82 ARG HA 1 93 ILE MD . 2.450 5.230 2.748 2.369 3.566 0.081 7 0 "[ . 1 . 2]" 1
735 1 82 ARG HA 1 93 ILE MG . 3.240 6.570 4.191 3.884 4.530 . 0 0 "[ . 1 . 2]" 1
736 1 82 ARG QB 1 93 ILE MD . . 5.700 3.047 2.430 3.816 . 0 0 "[ . 1 . 2]" 1
737 1 82 ARG QG 1 92 LYS H . . 5.680 4.175 3.525 4.970 . 0 0 "[ . 1 . 2]" 1
738 1 82 ARG QG 1 93 ILE MD . . 6.570 2.399 1.998 3.868 . 0 0 "[ . 1 . 2]" 1
739 1 83 VAL H 1 83 VAL QG . 2.260 4.740 2.367 2.185 2.800 0.075 4 0 "[ . 1 . 2]" 1
740 1 83 VAL H 1 92 LYS H . . 3.320 3.338 2.900 3.481 0.161 20 0 "[ . 1 . 2]" 1
741 1 83 VAL H 1 93 ILE QG . 3.500 6.880 5.589 4.730 6.103 . 0 0 "[ . 1 . 2]" 1
742 1 83 VAL HA 1 83 VAL QG . 2.210 4.700 2.099 2.077 2.119 0.133 18 0 "[ . 1 . 2]" 1
743 1 83 VAL QG 1 85 HIS QB . . 6.300 3.279 3.040 3.506 . 0 0 "[ . 1 . 2]" 1
744 1 83 VAL QG 1 88 LEU QD . 3.060 8.360 2.712 2.249 3.045 0.811 1 5 "[+* . 1 - *. * 2]" 1
745 1 83 VAL QG 1 93 ILE HA . 3.500 7.020 4.719 4.279 5.051 . 0 0 "[ . 1 . 2]" 1
746 1 84 ASN HA 1 88 LEU QD . 2.520 6.410 3.189 2.649 3.771 . 0 0 "[ . 1 . 2]" 1
747 1 84 ASN HA 1 92 LYS H . 3.060 5.250 3.556 3.151 4.070 . 0 0 "[ . 1 . 2]" 1
748 1 84 ASN HB2 1 85 HIS H . . . 4.026 3.721 4.407 . 0 0 "[ . 1 . 2]" 1
749 1 84 ASN HB3 1 85 HIS H . . . 2.954 2.553 3.783 . 0 0 "[ . 1 . 2]" 1
750 1 84 ASN QB 1 85 HIS H . . 4.120 2.873 2.511 3.544 . 0 0 "[ . 1 . 2]" 1
751 1 84 ASN QB 1 88 LEU QD . . 7.980 4.694 4.240 5.128 . 0 0 "[ . 1 . 2]" 1
752 1 85 HIS H 1 88 LEU HB2 . 2.540 4.350 2.463 2.277 2.603 0.263 4 0 "[ . 1 . 2]" 1
753 1 85 HIS H 1 88 LEU HB3 . 2.600 4.460 4.032 3.759 4.153 . 0 0 "[ . 1 . 2]" 1
754 1 85 HIS H 1 88 LEU HG . 2.960 5.080 4.161 3.553 4.662 . 0 0 "[ . 1 . 2]" 1
755 1 85 HIS H 1 88 LEU QD . 2.840 6.970 3.256 2.416 4.003 0.424 15 0 "[ . 1 . 2]" 1
756 1 85 HIS QB 1 86 VAL H . 2.620 5.120 3.396 3.262 3.509 . 0 0 "[ . 1 . 2]" 1
757 1 85 HIS QB 1 88 LEU QD . 3.250 7.980 2.505 2.210 2.911 1.040 7 16 "[- **.*+**1******* **]" 1
758 1 85 HIS HE1 1 86 VAL MG1 . 2.650 . 3.866 2.750 5.794 . 0 0 "[ . 1 . 2]" 1
759 1 85 HIS HE1 1 86 VAL MG2 . 2.650 . 5.535 3.472 6.338 . 0 0 "[ . 1 . 2]" 1
760 1 85 HIS HE1 1 86 VAL QG . 2.580 6.510 3.584 2.742 4.830 . 0 0 "[ . 1 . 2]" 1
761 1 85 HIS HE1 1 87 THR H . 2.500 4.280 3.588 3.141 4.058 . 0 0 "[ . 1 . 2]" 1
762 1 85 HIS HE1 1 87 THR HG1 . 2.340 4.010 3.105 2.715 3.408 . 0 0 "[ . 1 . 2]" 1
763 1 85 HIS HE1 1 87 THR MG . 2.100 4.620 2.414 2.192 2.847 . 0 0 "[ . 1 . 2]" 1
764 1 85 HIS QB 1 88 LEU H . . 5.300 2.559 2.035 3.159 . 0 0 "[ . 1 . 2]" 1
765 1 86 VAL H 1 86 VAL MG1 . 2.250 5.580 2.616 2.053 3.795 0.197 11 0 "[ . 1 . 2]" 1
766 1 86 VAL H 1 86 VAL MG2 . 2.250 5.580 3.271 2.045 3.787 0.205 17 0 "[ . 1 . 2]" 1
767 1 86 VAL HA 1 87 THR H . 2.810 . 3.570 3.545 3.594 . 0 0 "[ . 1 . 2]" 1
768 1 86 VAL HB 1 87 THR H . 3.500 6.000 3.809 2.961 4.168 0.539 17 2 "[ . 1 - . + 2]" 1
769 1 86 VAL MG1 1 87 THR H . 2.500 . 2.787 2.210 4.167 0.290 12 0 "[ . 1 . 2]" 1
770 1 86 VAL MG2 1 87 THR H . 2.500 . 3.869 2.448 4.223 0.052 20 0 "[ . 1 . 2]" 1
771 1 86 VAL QG 1 87 THR H . 2.450 6.300 2.621 2.200 3.552 0.250 12 0 "[ . 1 . 2]" 1
772 1 86 VAL QG 1 87 THR HA . . 8.020 3.412 3.198 3.916 . 0 0 "[ . 1 . 2]" 1
773 1 87 THR H 1 87 THR HB . 2.220 3.810 3.617 3.580 3.654 . 0 0 "[ . 1 . 2]" 1
774 1 87 THR H 1 87 THR MG . 2.390 5.120 2.241 2.102 2.410 0.288 19 0 "[ . 1 . 2]" 1
775 1 87 THR HA 1 87 THR HG1 . 3.150 . 3.600 3.573 3.630 . 0 0 "[ . 1 . 2]" 1
776 1 87 THR HA 1 87 THR MG . 2.500 . 2.376 2.318 2.440 0.182 14 0 "[ . 1 . 2]" 1
777 1 87 THR HA 1 88 LEU H . 2.490 . 3.580 3.517 3.611 . 0 0 "[ . 1 . 2]" 1
778 1 87 THR HB 1 87 THR HG1 . 2.730 . 2.831 2.826 2.839 . 0 0 "[ . 1 . 2]" 1
779 1 87 THR HG1 1 87 THR MG . 2.460 . 2.299 2.230 2.355 0.230 4 0 "[ . 1 . 2]" 1
780 1 88 LEU H 1 88 LEU HB3 . 2.190 3.760 3.619 3.584 3.656 . 0 0 "[ . 1 . 2]" 1
781 1 88 LEU H 1 88 LEU HG . 2.070 3.550 2.245 2.136 2.382 . 0 0 "[ . 1 . 2]" 1
782 1 88 LEU H 1 88 LEU QD . 2.960 7.170 3.062 2.929 3.157 0.031 14 0 "[ . 1 . 2]" 1
783 1 88 LEU HA 1 88 LEU QD . 2.240 5.940 2.199 2.110 2.254 0.130 6 0 "[ . 1 . 2]" 1
784 1 88 LEU HB2 1 90 GLN H . 2.640 4.520 4.579 4.137 4.708 0.188 14 0 "[ . 1 . 2]" 1
785 1 88 LEU HB3 1 90 GLN H . 2.090 3.580 3.513 3.319 3.700 0.120 3 0 "[ . 1 . 2]" 1
786 1 88 LEU QD 1 90 GLN H . 3.500 8.100 4.307 4.034 4.512 . 0 0 "[ . 1 . 2]" 1
787 1 89 SER QB 1 90 GLN H . 2.530 5.220 2.682 2.339 3.242 0.191 20 0 "[ . 1 . 2]" 1
788 1 90 GLN H 1 90 GLN HB2 . 2.420 . 3.086 2.331 3.659 0.089 1 0 "[ . 1 . 2]" 1
789 1 90 GLN H 1 90 GLN HB3 . 2.420 . 3.121 2.527 3.647 . 0 0 "[ . 1 . 2]" 1
790 1 90 GLN H 1 90 GLN QG . . 4.770 2.264 1.961 3.266 . 0 0 "[ . 1 . 2]" 1
791 1 90 GLN H 1 91 PRO QD . . 6.700 4.449 4.414 4.475 . 0 0 "[ . 1 . 2]" 1
792 1 90 GLN HA 1 90 GLN HG2 . 2.400 . 3.304 2.368 4.241 0.032 16 0 "[ . 1 . 2]" 1
793 1 90 GLN HA 1 90 GLN HG3 . 2.400 . 3.556 3.015 4.266 . 0 0 "[ . 1 . 2]" 1
794 1 90 GLN HA 1 90 GLN QG . 2.360 4.600 3.007 2.298 3.535 0.062 16 0 "[ . 1 . 2]" 1
795 1 90 GLN HB2 1 91 PRO HD2 . 2.270 . 3.035 2.258 3.976 0.012 19 0 "[ . 1 . 2]" 1
796 1 90 GLN HB2 1 91 PRO HD3 . 2.270 . 4.266 3.678 4.947 . 0 0 "[ . 1 . 2]" 1
797 1 90 GLN HB3 1 91 PRO HD2 . 2.270 . 3.046 2.244 3.865 0.026 1 0 "[ . 1 . 2]" 1
798 1 90 GLN HB3 1 91 PRO HD3 . 2.270 . 4.212 3.635 4.790 . 0 0 "[ . 1 . 2]" 1
799 1 90 GLN QB 1 91 PRO QD . . 5.150 2.300 2.207 2.479 . 0 0 "[ . 1 . 2]" 1
800 1 92 LYS QG 1 94 VAL MG2 . . 6.990 3.271 2.103 4.709 . 0 0 "[ . 1 . 2]" 1
801 1 93 ILE H 1 93 ILE MD . 2.860 5.920 3.012 2.230 3.478 0.630 11 2 "[ . 1+ . - 2]" 1
802 1 93 ILE H 1 93 ILE QG . 2.510 5.190 2.297 2.071 3.496 0.439 15 0 "[ . 1 . 2]" 1
803 1 93 ILE H 1 93 ILE MG . 3.500 7.020 3.771 3.740 3.790 . 0 0 "[ . 1 . 2]" 1
804 1 93 ILE H 1 94 VAL H . 2.880 4.940 4.191 4.014 4.438 . 0 0 "[ . 1 . 2]" 1
805 1 93 ILE HA 1 93 ILE MD . 2.010 4.470 2.287 2.182 2.864 . 0 0 "[ . 1 . 2]" 1
806 1 93 ILE HA 1 93 ILE QG . 2.510 . 3.060 2.372 3.203 0.138 11 0 "[ . 1 . 2]" 1
807 1 93 ILE HA 1 93 ILE MG . 2.170 4.730 2.381 2.317 2.517 . 0 0 "[ . 1 . 2]" 1
808 1 93 ILE HA 1 94 VAL MG2 . 2.650 5.560 3.901 3.657 4.048 . 0 0 "[ . 1 . 2]" 1
809 1 93 ILE MG 1 94 VAL H . 2.380 5.110 3.496 3.138 3.705 . 0 0 "[ . 1 . 2]" 1
810 1 94 VAL H 1 94 VAL HA . 2.330 . 2.907 2.856 2.945 . 0 0 "[ . 1 . 2]" 1
811 1 94 VAL H 1 95 LYS QG . . 5.660 5.084 4.826 5.279 . 0 0 "[ . 1 . 2]" 1
812 1 94 VAL HA 1 94 VAL MG1 . . 4.400 2.294 2.221 2.373 . 0 0 "[ . 1 . 2]" 1
813 1 94 VAL HA 1 94 VAL MG2 . 2.050 4.540 2.447 2.383 2.522 . 0 0 "[ . 1 . 2]" 1
814 1 94 VAL MG1 1 95 LYS H . 2.280 4.920 2.414 2.013 2.772 0.267 9 0 "[ . 1 . 2]" 1
815 1 94 VAL MG1 1 96 TRP HA . 3.010 6.180 3.651 3.182 3.988 . 0 0 "[ . 1 . 2]" 1
816 1 94 VAL MG2 1 95 LYS H . 3.080 6.290 4.024 3.862 4.199 . 0 0 "[ . 1 . 2]" 1
817 1 96 TRP H 1 96 TRP HE3 . 2.700 4.620 4.603 4.422 4.749 0.129 14 0 "[ . 1 . 2]" 1
818 1 96 TRP H 1 97 ASP H . 2.560 4.380 4.444 4.310 4.506 0.126 12 0 "[ . 1 . 2]" 1
819 1 96 TRP HB2 1 97 ASP H . 2.890 4.950 4.321 4.121 4.465 . 0 0 "[ . 1 . 2]" 1
820 1 96 TRP HD1 1 97 ASP H . 2.040 3.500 3.171 2.618 3.544 0.044 3 0 "[ . 1 . 2]" 1
821 1 96 TRP HE1 1 98 ARG HA . 2.380 4.080 3.299 2.684 4.064 . 0 0 "[ . 1 . 2]" 1
822 1 96 TRP HZ2 1 98 ARG HA . 2.500 4.280 3.115 2.533 3.997 . 0 0 "[ . 1 . 2]" 1
823 1 96 TRP HZ2 1 98 ARG QB . . 5.900 3.171 2.652 4.088 . 0 0 "[ . 1 . 2]" 1
824 1 97 ASP H 1 97 ASP HB2 . 2.080 3.630 2.753 2.412 3.636 0.006 20 0 "[ . 1 . 2]" 1
825 1 97 ASP H 1 97 ASP HB3 . 2.080 3.630 3.067 2.408 3.625 . 0 0 "[ . 1 . 2]" 1
826 1 97 ASP H 1 98 ARG H . 3.500 6.000 4.203 3.778 4.537 . 0 0 "[ . 1 . 2]" 1
827 1 97 ASP HA 1 98 ARG QB . . 6.590 4.421 3.994 4.670 . 0 0 "[ . 1 . 2]" 1
828 1 97 ASP HB2 1 98 ARG H . 2.270 . 4.356 3.751 4.564 . 0 0 "[ . 1 . 2]" 1
829 1 97 ASP HB3 1 98 ARG H . 2.270 . 4.196 3.251 4.630 . 0 0 "[ . 1 . 2]" 1
830 1 97 ASP QB 1 98 ARG H . 2.180 4.620 3.781 3.143 3.990 . 0 0 "[ . 1 . 2]" 1
831 1 98 ARG H 1 98 ARG QG . 2.660 5.440 3.012 1.935 3.973 0.725 20 3 "[ *. 1 - +]" 1
832 1 98 ARG H 1 99 ASP H . 2.310 3.960 2.878 2.462 3.975 0.015 12 0 "[ . 1 . 2]" 1
833 1 98 ARG HA 1 98 ARG QG . 3.130 . 3.478 3.153 3.564 . 0 0 "[ . 1 . 2]" 1
834 1 98 ARG HA 1 100 MET H . 3.500 6.000 4.397 3.626 5.650 . 0 0 "[ . 1 . 2]" 1
835 1 98 ARG HB2 1 99 ASP H . 2.330 . 4.185 3.739 4.556 . 0 0 "[ . 1 . 2]" 1
836 1 98 ARG HB3 1 99 ASP H . 2.330 . 4.113 2.267 4.671 0.063 19 0 "[ . 1 . 2]" 1
837 1 98 ARG QB 1 99 ASP H . 2.230 4.710 3.670 2.249 4.108 . 0 0 "[ . 1 . 2]" 1
838 1 98 ARG QB 1 99 ASP HA . . 5.600 4.727 4.495 5.161 . 0 0 "[ . 1 . 2]" 1
839 1 98 ARG QD 1 98 ARG QG . 2.090 . 2.093 2.007 2.133 0.083 20 0 "[ . 1 . 2]" 1
840 1 99 ASP H 1 100 MET H . 2.050 3.510 2.975 2.127 3.602 0.092 2 0 "[ . 1 . 2]" 1
841 1 100 MET H 1 100 MET HB2 . 2.100 . 3.013 2.358 3.947 . 0 0 "[ . 1 . 2]" 1
842 1 100 MET H 1 100 MET HB3 . 2.100 . 3.304 2.377 4.088 . 0 0 "[ . 1 . 2]" 1
843 1 100 MET HA 1 100 MET HG2 . 2.620 . 3.372 2.479 4.247 0.141 9 0 "[ . 1 . 2]" 1
844 1 100 MET HA 1 100 MET HG3 . 2.620 . 3.083 2.455 3.781 0.165 12 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 265
_Distance_constraint_stats_list.Viol_count 166
_Distance_constraint_stats_list.Viol_total 280.649
_Distance_constraint_stats_list.Viol_max 0.431
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0845
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.345 0.072 3 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.829 0.431 20 0 "[ . 1 . 2]"
1 18 ASN 0.895 0.431 20 0 "[ . 1 . 2]"
1 19 GLY 0.066 0.066 9 0 "[ . 1 . 2]"
1 20 LYS 0.405 0.213 3 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.328 0.096 1 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.089 0.082 16 0 "[ . 1 . 2]"
1 29 SER 1.815 0.181 14 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 1.725 0.181 14 0 "[ . 1 . 2]"
1 32 HIS 0.950 0.066 2 0 "[ . 1 . 2]"
1 33 PRO 0.003 0.003 18 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 1.250 0.070 20 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 2.695 0.203 6 0 "[ . 1 . 2]"
1 41 LEU 2.695 0.203 6 0 "[ . 1 . 2]"
1 42 LYS 0.511 0.122 13 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.511 0.122 13 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.751 0.108 9 0 "[ . 1 . 2]"
1 52 HIS 1.437 0.175 19 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.740 0.273 18 0 "[ . 1 . 2]"
1 67 TYR 0.686 0.175 19 0 "[ . 1 . 2]"
1 68 TYR 0.328 0.096 1 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.436 0.094 17 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TRP 2.570 0.187 13 0 "[ . 1 . 2]"
1 97 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 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 2 ILE HA 1 3 GLN H . . 3.060 2.184 2.118 2.291 . 0 0 "[ . 1 . 2]" 2
2 1 2 ILE HB 1 3 GLN H . . 6.000 4.390 4.167 4.559 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLN HA 1 4 ARG H . . 2.730 2.401 2.188 2.533 . 0 0 "[ . 1 . 2]" 2
4 1 4 ARG H 1 32 HIS HA . . 6.000 4.914 4.451 5.508 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG HA 1 5 THR H . . 2.820 2.201 2.146 2.259 . 0 0 "[ . 1 . 2]" 2
6 1 4 ARG QB 1 5 THR H . . 4.590 3.228 2.694 3.904 . 0 0 "[ . 1 . 2]" 2
7 1 5 THR HA 1 6 PRO HD2 . . 3.140 2.337 2.259 2.505 . 0 0 "[ . 1 . 2]" 2
8 1 5 THR HA 1 6 PRO HD3 . . 3.140 2.527 2.379 2.626 . 0 0 "[ . 1 . 2]" 2
9 1 5 THR HB 1 6 PRO QD . . 6.700 2.263 2.188 2.406 . 0 0 "[ . 1 . 2]" 2
10 1 6 PRO HA 1 29 SER H . . 6.000 4.578 3.909 5.381 . 0 0 "[ . 1 . 2]" 2
11 1 6 PRO HA 1 7 LYS H . . 2.850 2.190 2.160 2.238 . 0 0 "[ . 1 . 2]" 2
12 1 6 PRO QG 1 85 HIS QB . . 5.280 2.660 2.355 3.055 . 0 0 "[ . 1 . 2]" 2
13 1 7 LYS H 1 31 PHE QD . . 8.130 4.450 3.853 4.883 . 0 0 "[ . 1 . 2]" 2
14 1 7 LYS HA 1 7 LYS QG . . 3.740 2.445 2.239 3.049 . 0 0 "[ . 1 . 2]" 2
15 1 7 LYS HA 1 8 ILE H . . 2.980 2.170 2.084 2.304 . 0 0 "[ . 1 . 2]" 2
16 1 7 LYS HG2 1 8 ILE H . . 6.000 3.958 3.154 5.587 . 0 0 "[ . 1 . 2]" 2
17 1 7 LYS HG3 1 8 ILE H . . 6.000 3.819 2.377 5.924 . 0 0 "[ . 1 . 2]" 2
18 1 8 ILE HA 1 9 GLN H . . 2.560 2.163 2.121 2.211 . 0 0 "[ . 1 . 2]" 2
19 1 8 ILE HB 1 28 VAL QG . . 8.020 4.783 3.958 5.620 . 0 0 "[ . 1 . 2]" 2
20 1 8 ILE HB 1 9 GLN H . . 6.000 3.617 3.004 4.431 . 0 0 "[ . 1 . 2]" 2
21 1 8 ILE QG 1 10 VAL QG . . 7.900 4.106 3.419 4.577 . 0 0 "[ . 1 . 2]" 2
22 1 9 GLN H 1 28 VAL HA . . 6.000 3.976 3.712 4.603 . 0 0 "[ . 1 . 2]" 2
23 1 10 VAL H 1 94 VAL MG1 . . 7.020 3.625 3.217 3.955 . 0 0 "[ . 1 . 2]" 2
24 1 10 VAL H 1 10 VAL HB . . 3.540 2.479 2.396 2.569 . 0 0 "[ . 1 . 2]" 2
25 1 10 VAL HA 1 11 TYR QE . . 8.130 5.303 5.009 5.724 . 0 0 "[ . 1 . 2]" 2
26 1 10 VAL HA 1 26 CYS HA . . 3.350 2.328 2.177 2.451 . 0 0 "[ . 1 . 2]" 2
27 1 10 VAL QG 1 96 TRP H . . 7.020 3.519 3.302 3.986 . 0 0 "[ . 1 . 2]" 2
28 1 10 VAL QG 1 96 TRP HB2 . . 7.020 2.495 2.227 2.821 . 0 0 "[ . 1 . 2]" 2
29 1 11 TYR HA 1 96 TRP HD1 . . 3.250 3.237 3.008 3.322 0.072 3 0 "[ . 1 . 2]" 2
30 1 11 TYR QB 1 25 ASN H . . 6.690 5.161 4.961 5.278 . 0 0 "[ . 1 . 2]" 2
31 1 12 SER HA 1 13 ARG H . . 3.190 2.216 2.174 2.271 . 0 0 "[ . 1 . 2]" 2
32 1 12 SER HA 1 71 PHE QR . . 7.220 3.498 2.762 4.283 . 0 0 "[ . 1 . 2]" 2
33 1 12 SER QB 1 71 PHE QR . . 7.620 3.544 2.773 4.792 . 0 0 "[ . 1 . 2]" 2
34 1 13 ARG H 1 22 ASN QD . . 6.670 5.028 4.131 5.812 . 0 0 "[ . 1 . 2]" 2
35 1 13 ARG QG 1 14 HIS HD2 . . 6.880 3.390 2.379 5.941 . 0 0 "[ . 1 . 2]" 2
36 1 14 HIS H 1 14 HIS HD2 . . 6.000 3.100 2.413 5.186 . 0 0 "[ . 1 . 2]" 2
37 1 14 HIS HA 1 14 HIS HB3 . . 2.860 2.531 2.480 2.601 . 0 0 "[ . 1 . 2]" 2
38 1 14 HIS HB2 1 14 HIS HD2 . . 3.700 2.939 2.747 3.404 . 0 0 "[ . 1 . 2]" 2
39 1 14 HIS HB3 1 15 PRO QD . . 4.090 2.270 2.150 2.668 . 0 0 "[ . 1 . 2]" 2
40 1 14 HIS HD2 1 15 PRO QD . . 6.700 5.247 4.134 5.567 . 0 0 "[ . 1 . 2]" 2
41 1 14 HIS HE1 1 15 PRO QD . . 6.700 5.471 5.182 5.965 . 0 0 "[ . 1 . 2]" 2
42 1 15 PRO HA 1 16 ALA H . . 2.930 2.221 2.138 2.337 . 0 0 "[ . 1 . 2]" 2
43 1 16 ALA HA 1 17 GLU H . . 2.910 2.408 2.206 2.685 . 0 0 "[ . 1 . 2]" 2
44 1 17 GLU H 1 22 ASN QD . . 6.670 3.241 2.253 4.283 . 0 0 "[ . 1 . 2]" 2
45 1 17 GLU H 1 73 PRO QG . . 6.700 4.163 3.291 5.494 . 0 0 "[ . 1 . 2]" 2
46 1 17 GLU HA 1 18 ASN H . . 3.020 2.437 2.142 3.451 0.431 20 0 "[ . 1 . 2]" 2
47 1 18 ASN HA 1 19 GLY H . . 2.930 2.299 2.149 2.996 0.066 9 0 "[ . 1 . 2]" 2
48 1 18 ASN QD 1 75 GLU QG . . 6.080 3.367 2.238 4.847 . 0 0 "[ . 1 . 2]" 2
49 1 19 GLY H 1 20 LYS H . . 6.000 3.166 2.070 4.492 . 0 0 "[ . 1 . 2]" 2
50 1 19 GLY H 1 73 PRO QB . . 6.690 4.155 3.356 5.828 . 0 0 "[ . 1 . 2]" 2
51 1 20 LYS H 1 20 LYS HB3 . . 3.450 3.043 2.696 3.663 0.213 3 0 "[ . 1 . 2]" 2
52 1 21 SER HA 1 22 ASN H . . 2.780 2.196 2.136 2.338 . 0 0 "[ . 1 . 2]" 2
53 1 22 ASN H 1 71 PHE QR . . 8.110 4.032 3.643 4.436 . 0 0 "[ . 1 . 2]" 2
54 1 22 ASN HA 1 23 PHE H . . 3.390 2.269 2.171 2.489 . 0 0 "[ . 1 . 2]" 2
55 1 22 ASN QB 1 71 PHE QR . . 6.910 2.711 2.338 3.002 . 0 0 "[ . 1 . 2]" 2
56 1 23 PHE H 1 71 PHE QR . . 7.230 4.108 3.265 4.826 . 0 0 "[ . 1 . 2]" 2
57 1 23 PHE HA 1 24 LEU H . . 2.940 2.172 2.112 2.226 . 0 0 "[ . 1 . 2]" 2
58 1 23 PHE HA 1 71 PHE QR . . 6.180 3.175 2.601 3.647 . 0 0 "[ . 1 . 2]" 2
59 1 23 PHE QB 1 24 LEU H . . 4.840 3.263 3.048 3.529 . 0 0 "[ . 1 . 2]" 2
60 1 23 PHE QB 1 69 THR H . . 6.690 5.066 4.313 5.443 . 0 0 "[ . 1 . 2]" 2
61 1 24 LEU H 1 71 PHE QB . . 6.690 4.362 3.516 5.029 . 0 0 "[ . 1 . 2]" 2
62 1 24 LEU H 1 71 PHE QR . . 6.890 2.385 2.130 2.732 . 0 0 "[ . 1 . 2]" 2
63 1 24 LEU HA 1 25 ASN H . . 2.910 2.386 2.223 2.569 . 0 0 "[ . 1 . 2]" 2
64 1 24 LEU HA 1 71 PHE QR . . 6.470 2.531 2.312 3.090 . 0 0 "[ . 1 . 2]" 2
65 1 24 LEU QB 1 71 PHE QR . . 6.140 2.200 2.038 2.629 . 0 0 "[ . 1 . 2]" 2
66 1 24 LEU QB 1 25 ASN HA . . 6.000 4.395 4.157 4.846 . 0 0 "[ . 1 . 2]" 2
67 1 24 LEU QD 1 71 PHE QR . . 8.290 2.683 2.319 3.177 . 0 0 "[ . 1 . 2]" 2
68 1 25 ASN HA 1 26 CYS H . . 2.860 2.331 2.217 2.457 . 0 0 "[ . 1 . 2]" 2
69 1 25 ASN HA 1 66 LEU QD . . 7.250 2.849 2.158 3.484 . 0 0 "[ . 1 . 2]" 2
70 1 25 ASN HA 1 68 TYR HA . . 3.380 3.068 2.430 3.476 0.096 1 0 "[ . 1 . 2]" 2
71 1 25 ASN HB3 1 66 LEU QD . . 5.810 2.246 2.106 2.877 . 0 0 "[ . 1 . 2]" 2
72 1 26 CYS H 1 66 LEU QD . . 7.210 3.913 3.166 4.412 . 0 0 "[ . 1 . 2]" 2
73 1 26 CYS HA 1 27 TYR H . . 2.750 2.253 2.208 2.356 . 0 0 "[ . 1 . 2]" 2
74 1 26 CYS HB2 1 27 TYR H . . 6.000 4.540 4.448 4.594 . 0 0 "[ . 1 . 2]" 2
75 1 27 TYR HA 1 28 VAL H . . 2.770 2.257 2.174 2.381 . 0 0 "[ . 1 . 2]" 2
76 1 27 TYR HA 1 66 LEU QD . . 7.350 3.013 2.430 3.808 . 0 0 "[ . 1 . 2]" 2
77 1 27 TYR QB 1 66 LEU HG . . 6.690 4.852 4.565 5.160 . 0 0 "[ . 1 . 2]" 2
78 1 27 TYR QB 1 66 LEU QD . . 7.920 2.442 2.040 3.295 . 0 0 "[ . 1 . 2]" 2
79 1 28 VAL H 1 65 LEU QB . . 6.880 3.819 3.374 4.299 . 0 0 "[ . 1 . 2]" 2
80 1 28 VAL HA 1 29 SER H . . 2.820 2.311 2.153 2.902 0.082 16 0 "[ . 1 . 2]" 2
81 1 28 VAL HB 1 31 PHE QE . . 8.130 3.815 2.840 5.062 . 0 0 "[ . 1 . 2]" 2
82 1 28 VAL QG 1 38 VAL QG . . 7.720 2.038 1.865 2.364 . 0 0 "[ . 1 . 2]" 2
83 1 28 VAL QG 1 67 TYR QB . . 8.710 3.704 3.401 4.159 . 0 0 "[ . 1 . 2]" 2
84 1 28 VAL QG 1 83 VAL QG . . 9.040 2.202 1.898 2.544 . 0 0 "[ . 1 . 2]" 2
85 1 29 SER HA 1 30 GLY H . . 3.210 2.215 2.118 2.579 . 0 0 "[ . 1 . 2]" 2
86 1 29 SER HA 1 31 PHE HZ . . 6.000 6.086 5.999 6.181 0.181 14 0 "[ . 1 . 2]" 2
87 1 29 SER HA 1 31 PHE QE . . 8.130 3.883 3.537 4.321 . 0 0 "[ . 1 . 2]" 2
88 1 29 SER HB2 1 30 GLY H . . 6.000 3.030 2.236 3.518 . 0 0 "[ . 1 . 2]" 2
89 1 29 SER HB3 1 30 GLY H . . 6.000 4.041 3.703 4.254 . 0 0 "[ . 1 . 2]" 2
90 1 30 GLY H 1 64 TYR QB . . 6.000 3.790 3.062 4.285 . 0 0 "[ . 1 . 2]" 2
91 1 30 GLY QA 1 62 SER QB . . 6.070 2.635 2.094 3.482 . 0 0 "[ . 1 . 2]" 2
92 1 31 PHE HA 1 32 HIS H . . 3.030 2.187 2.135 2.227 . 0 0 "[ . 1 . 2]" 2
93 1 31 PHE HZ 1 55 LEU QB . . 6.880 5.147 4.378 6.099 . 0 0 "[ . 1 . 2]" 2
94 1 31 PHE HZ 1 65 LEU HG . . 6.000 4.289 3.475 5.036 . 0 0 "[ . 1 . 2]" 2
95 1 31 PHE HZ 1 65 LEU MD1 . . 7.020 2.117 1.975 2.347 . 0 0 "[ . 1 . 2]" 2
96 1 31 PHE HZ 1 65 LEU MD2 . . 7.020 4.122 2.183 4.690 . 0 0 "[ . 1 . 2]" 2
97 1 31 PHE QD 1 32 HIS HA . . 8.130 4.437 3.658 4.841 . 0 0 "[ . 1 . 2]" 2
98 1 31 PHE QD 1 36 ILE MD . . 9.150 2.873 2.668 3.071 . 0 0 "[ . 1 . 2]" 2
99 1 31 PHE QE 1 34 SER HA . . 8.130 2.456 2.176 3.137 . 0 0 "[ . 1 . 2]" 2
100 1 31 PHE QE 1 55 LEU QD . . 9.010 3.136 2.345 4.542 . 0 0 "[ . 1 . 2]" 2
101 1 32 HIS HA 1 33 PRO HA . . 2.970 2.203 2.153 2.299 . 0 0 "[ . 1 . 2]" 2
102 1 32 HIS HA 1 63 PHE QD . . 8.130 3.517 2.730 4.218 . 0 0 "[ . 1 . 2]" 2
103 1 32 HIS HB2 1 32 HIS HD2 . . 3.930 3.175 2.713 3.528 . 0 0 "[ . 1 . 2]" 2
104 1 32 HIS HB3 1 32 HIS HD2 . . 3.930 3.975 3.873 3.996 0.066 2 0 "[ . 1 . 2]" 2
105 1 32 HIS HD2 1 33 PRO HA . . 6.000 5.255 4.162 6.003 0.003 18 0 "[ . 1 . 2]" 2
106 1 32 HIS HE1 1 33 PRO HA . . 6.000 5.546 3.546 5.793 . 0 0 "[ . 1 . 2]" 2
107 1 35 ASP HA 1 36 ILE MG . . 7.020 4.262 4.094 4.606 . 0 0 "[ . 1 . 2]" 2
108 1 36 ILE H 1 36 ILE HA . . 2.880 2.943 2.935 2.950 0.070 20 0 "[ . 1 . 2]" 2
109 1 36 ILE HA 1 38 VAL QG . . 7.020 4.562 4.377 4.794 . 0 0 "[ . 1 . 2]" 2
110 1 36 ILE HB 1 85 HIS HD2 . . 3.110 2.584 2.320 3.000 . 0 0 "[ . 1 . 2]" 2
111 1 36 ILE MD 1 67 TYR QD . . 9.150 5.033 4.084 5.846 . 0 0 "[ . 1 . 2]" 2
112 1 37 GLU HA 1 38 VAL QG . . 7.020 3.962 3.751 4.159 . 0 0 "[ . 1 . 2]" 2
113 1 37 GLU HB3 1 38 VAL H . . 6.000 4.173 3.946 4.362 . 0 0 "[ . 1 . 2]" 2
114 1 37 GLU HB3 1 39 ASP QB . . 6.690 4.010 3.137 5.386 . 0 0 "[ . 1 . 2]" 2
115 1 38 VAL QG 1 81 CYS QB . . 7.710 3.480 2.426 3.990 . 0 0 "[ . 1 . 2]" 2
116 1 39 ASP H 1 82 ARG QG . . 6.690 3.830 2.944 4.964 . 0 0 "[ . 1 . 2]" 2
117 1 39 ASP H 1 84 ASN QB . . 6.690 4.470 4.028 5.464 . 0 0 "[ . 1 . 2]" 2
118 1 39 ASP QB 1 40 LEU H . . 5.110 3.789 2.096 4.089 . 0 0 "[ . 1 . 2]" 2
119 1 40 LEU HA 1 41 LEU H . . 2.720 2.227 2.167 2.286 . 0 0 "[ . 1 . 2]" 2
120 1 40 LEU HA 1 82 ARG QG . . 6.690 4.816 3.041 5.320 . 0 0 "[ . 1 . 2]" 2
121 1 40 LEU HB2 1 41 LEU H . . 3.650 2.521 2.363 2.713 . 0 0 "[ . 1 . 2]" 2
122 1 40 LEU HB3 1 41 LEU H . . 3.650 3.785 3.713 3.853 0.203 6 0 "[ . 1 . 2]" 2
123 1 40 LEU QB 1 41 LEU H . . 3.930 2.486 2.339 2.661 . 0 0 "[ . 1 . 2]" 2
124 1 40 LEU QB 1 50 VAL QG . . 7.710 4.125 3.709 4.612 . 0 0 "[ . 1 . 2]" 2
125 1 41 LEU HA 1 42 LYS H . . 2.720 2.340 2.198 2.435 . 0 0 "[ . 1 . 2]" 2
126 1 41 LEU HG 1 42 LYS H . . 6.000 5.005 4.823 5.130 . 0 0 "[ . 1 . 2]" 2
127 1 41 LEU MD2 1 42 LYS H . . 7.020 3.711 3.487 3.839 . 0 0 "[ . 1 . 2]" 2
128 1 41 LEU MD2 1 47 ILE H . . 7.020 3.514 2.965 5.216 . 0 0 "[ . 1 . 2]" 2
129 1 42 LYS H 1 43 ASN H . . 6.000 3.899 3.634 4.133 . 0 0 "[ . 1 . 2]" 2
130 1 42 LYS H 1 45 GLU H . . 3.110 3.086 2.790 3.232 0.122 13 0 "[ . 1 . 2]" 2
131 1 42 LYS HA 1 43 ASN H . . 3.060 2.161 2.113 2.278 . 0 0 "[ . 1 . 2]" 2
132 1 42 LYS QB 1 79 TYR QD . . 8.820 2.450 2.044 3.414 . 0 0 "[ . 1 . 2]" 2
133 1 42 LYS QG 1 47 ILE H . . 6.690 4.627 3.986 5.139 . 0 0 "[ . 1 . 2]" 2
134 1 43 ASN H 1 43 ASN HA . . 2.780 2.250 2.231 2.275 . 0 0 "[ . 1 . 2]" 2
135 1 43 ASN H 1 44 GLY H . . 6.000 2.843 2.698 3.161 . 0 0 "[ . 1 . 2]" 2
136 1 43 ASN HA 1 44 GLY H . . 3.350 2.756 2.503 3.113 . 0 0 "[ . 1 . 2]" 2
137 1 45 GLU HA 1 46 ARG H . . 2.900 2.242 2.133 2.494 . 0 0 "[ . 1 . 2]" 2
138 1 47 ILE HA 1 48 GLU H . . 2.940 2.193 2.122 2.236 . 0 0 "[ . 1 . 2]" 2
139 1 47 ILE MG 1 48 GLU H . . 7.020 3.026 2.586 3.916 . 0 0 "[ . 1 . 2]" 2
140 1 48 GLU H 1 48 GLU HB2 . . 3.800 2.433 2.290 2.636 . 0 0 "[ . 1 . 2]" 2
141 1 48 GLU H 1 48 GLU HB3 . . 3.800 3.189 2.422 3.635 . 0 0 "[ . 1 . 2]" 2
142 1 48 GLU QB 1 49 LYS H . . 4.690 3.572 2.180 4.029 . 0 0 "[ . 1 . 2]" 2
143 1 49 LYS HA 1 50 VAL H . . 2.600 2.461 2.125 2.598 . 0 0 "[ . 1 . 2]" 2
144 1 49 LYS HB2 1 50 VAL H . . 6.000 4.628 4.391 4.728 . 0 0 "[ . 1 . 2]" 2
145 1 49 LYS HB3 1 50 VAL H . . 6.000 4.437 4.251 4.518 . 0 0 "[ . 1 . 2]" 2
146 1 50 VAL H 1 50 VAL HB . . 3.320 2.476 2.293 2.678 . 0 0 "[ . 1 . 2]" 2
147 1 50 VAL HA 1 51 GLU H . . 2.770 2.190 2.144 2.264 . 0 0 "[ . 1 . 2]" 2
148 1 51 GLU HA 1 52 HIS H . . 2.830 2.296 2.114 2.633 . 0 0 "[ . 1 . 2]" 2
149 1 51 GLU HA 1 52 HIS HD2 . . 6.000 4.589 2.942 6.051 0.051 1 0 "[ . 1 . 2]" 2
150 1 51 GLU HB3 1 52 HIS H . . 3.170 2.903 2.048 3.278 0.108 9 0 "[ . 1 . 2]" 2
151 1 52 HIS HA 1 67 TYR HA . . 2.970 2.956 2.627 3.145 0.175 19 0 "[ . 1 . 2]" 2
152 1 52 HIS HA 1 67 TYR QD . . 8.130 4.230 3.602 4.801 . 0 0 "[ . 1 . 2]" 2
153 1 52 HIS QB 1 53 SER H . . 4.470 2.673 2.120 3.406 . 0 0 "[ . 1 . 2]" 2
154 1 52 HIS QB 1 67 TYR QE . . 8.820 3.259 2.806 3.801 . 0 0 "[ . 1 . 2]" 2
155 1 53 SER H 1 66 LEU H . . 6.000 2.712 2.124 4.155 . 0 0 "[ . 1 . 2]" 2
156 1 54 ASP HA 1 55 LEU H . . 3.300 2.494 2.202 3.052 . 0 0 "[ . 1 . 2]" 2
157 1 54 ASP QB 1 55 LEU H . . 4.930 3.343 2.188 4.097 . 0 0 "[ . 1 . 2]" 2
158 1 55 LEU HA 1 55 LEU HG . . 3.140 2.721 2.199 2.963 . 0 0 "[ . 1 . 2]" 2
159 1 55 LEU HA 1 56 SER H . . 2.790 2.304 2.152 2.418 . 0 0 "[ . 1 . 2]" 2
160 1 55 LEU HA 1 63 PHE QD . . 8.130 4.836 3.518 5.534 . 0 0 "[ . 1 . 2]" 2
161 1 55 LEU QB 1 56 SER H . . 6.880 4.053 3.979 4.083 . 0 0 "[ . 1 . 2]" 2
162 1 55 LEU QD 1 56 SER H . . 6.680 3.833 3.482 4.145 . 0 0 "[ . 1 . 2]" 2
163 1 55 LEU QD 1 63 PHE QB . . 7.030 2.154 2.030 2.598 . 0 0 "[ . 1 . 2]" 2
164 1 56 SER HA 1 64 TYR QD . . 8.130 5.298 5.115 5.705 . 0 0 "[ . 1 . 2]" 2
165 1 56 SER HA 1 64 TYR QE . . 8.130 4.616 4.229 5.013 . 0 0 "[ . 1 . 2]" 2
166 1 56 SER HB2 1 57 PHE H . . 6.000 4.138 3.917 4.325 . 0 0 "[ . 1 . 2]" 2
167 1 56 SER HB3 1 57 PHE H . . 6.000 3.326 2.771 4.073 . 0 0 "[ . 1 . 2]" 2
168 1 57 PHE HA 1 58 SER H . . 2.880 2.238 2.180 2.498 . 0 0 "[ . 1 . 2]" 2
169 1 57 PHE QB 1 58 SER H . . 6.880 3.459 3.140 3.950 . 0 0 "[ . 1 . 2]" 2
170 1 57 PHE QE 1 63 PHE QB . . 8.820 5.199 4.585 6.331 . 0 0 "[ . 1 . 2]" 2
171 1 58 SER HA 1 64 TYR QD . . 8.130 3.541 2.515 4.640 . 0 0 "[ . 1 . 2]" 2
172 1 58 SER HA 1 64 TYR QE . . 8.130 2.635 2.343 3.907 . 0 0 "[ . 1 . 2]" 2
173 1 59 LYS QB 1 60 ASP H . . 6.880 3.495 1.948 4.084 . 0 0 "[ . 1 . 2]" 2
174 1 61 GLY H 1 62 SER H . . 6.000 2.734 1.671 3.962 . 0 0 "[ . 1 . 2]" 2
175 1 62 SER HA 1 63 PHE H . . 3.100 2.190 2.114 2.358 . 0 0 "[ . 1 . 2]" 2
176 1 62 SER HA 1 63 PHE QD . . 8.130 3.901 2.946 4.512 . 0 0 "[ . 1 . 2]" 2
177 1 63 PHE HA 1 64 TYR H . . 2.940 2.298 2.212 2.517 . 0 0 "[ . 1 . 2]" 2
178 1 63 PHE QB 1 64 TYR H . . 4.700 3.682 3.455 3.954 . 0 0 "[ . 1 . 2]" 2
179 1 63 PHE QD 1 64 TYR H . . 8.130 4.562 4.290 4.948 . 0 0 "[ . 1 . 2]" 2
180 1 64 TYR HA 1 65 LEU H . . 2.920 2.180 2.123 2.243 . 0 0 "[ . 1 . 2]" 2
181 1 65 LEU H 1 67 TYR QD . . 8.130 5.305 4.672 6.195 . 0 0 "[ . 1 . 2]" 2
182 1 65 LEU HA 1 66 LEU H . . 2.920 2.363 2.177 2.600 . 0 0 "[ . 1 . 2]" 2
183 1 65 LEU HG 1 66 LEU H . . 6.000 3.967 2.665 4.451 . 0 0 "[ . 1 . 2]" 2
184 1 65 LEU QB 1 66 LEU H . . 6.880 2.781 2.064 3.905 . 0 0 "[ . 1 . 2]" 2
185 1 65 LEU QB 1 67 TYR QE . . 9.020 2.418 2.203 2.854 . 0 0 "[ . 1 . 2]" 2
186 1 65 LEU QD 1 66 LEU H . . 7.300 3.053 1.804 4.300 . 0 0 "[ . 1 . 2]" 2
187 1 66 LEU H 1 67 TYR H . . 6.000 4.054 3.464 4.599 . 0 0 "[ . 1 . 2]" 2
188 1 66 LEU HA 1 66 LEU HG . . 3.310 3.037 2.812 3.583 0.273 18 0 "[ . 1 . 2]" 2
189 1 66 LEU HA 1 67 TYR QD . . 8.130 3.857 2.840 4.512 . 0 0 "[ . 1 . 2]" 2
190 1 66 LEU HG 1 68 TYR HB2 . . 6.000 4.369 4.007 4.869 . 0 0 "[ . 1 . 2]" 2
191 1 66 LEU QD 1 68 TYR HB2 . . 7.020 3.968 3.309 4.456 . 0 0 "[ . 1 . 2]" 2
192 1 66 LEU QD 1 67 TYR H . . 6.380 3.374 2.373 3.878 . 0 0 "[ . 1 . 2]" 2
193 1 67 TYR HA 1 68 TYR H . . 2.950 2.268 2.137 2.397 . 0 0 "[ . 1 . 2]" 2
194 1 68 TYR HA 1 69 THR H . . 3.010 2.264 2.156 2.447 . 0 0 "[ . 1 . 2]" 2
195 1 68 TYR HB3 1 69 THR H . . 6.000 4.444 4.173 4.579 . 0 0 "[ . 1 . 2]" 2
196 1 69 THR HA 1 70 GLU H . . 2.840 2.411 2.220 2.814 . 0 0 "[ . 1 . 2]" 2
197 1 69 THR MG 1 70 GLU H . . 7.020 3.446 2.610 3.842 . 0 0 "[ . 1 . 2]" 2
198 1 69 THR MG 1 71 PHE QR . . 9.480 2.867 2.171 3.624 . 0 0 "[ . 1 . 2]" 2
199 1 70 GLU H 1 71 PHE H . . 6.000 3.877 2.974 4.193 . 0 0 "[ . 1 . 2]" 2
200 1 70 GLU HA 1 71 PHE QR . . 6.640 3.818 3.489 4.133 . 0 0 "[ . 1 . 2]" 2
201 1 70 GLU QB 1 71 PHE QR . . 9.060 5.361 5.176 5.494 . 0 0 "[ . 1 . 2]" 2
202 1 70 GLU QG 1 71 PHE H . . 6.880 3.779 3.416 4.501 . 0 0 "[ . 1 . 2]" 2
203 1 71 PHE HA 1 72 THR H . . 3.030 2.233 2.147 2.337 . 0 0 "[ . 1 . 2]" 2
204 1 71 PHE QR 1 72 THR H . . 8.010 3.797 3.371 4.226 . 0 0 "[ . 1 . 2]" 2
205 1 71 PHE QR 1 73 PRO HA . . 6.540 3.223 2.323 3.700 . 0 0 "[ . 1 . 2]" 2
206 1 71 PHE QR 1 73 PRO QB . . 7.540 2.258 2.128 2.516 . 0 0 "[ . 1 . 2]" 2
207 1 71 PHE QR 1 73 PRO QD . . 7.790 2.473 2.238 3.531 . 0 0 "[ . 1 . 2]" 2
208 1 71 PHE QR 1 73 PRO QG . . 7.950 2.828 2.302 3.914 . 0 0 "[ . 1 . 2]" 2
209 1 71 PHE QR 1 79 TYR QD . . 9.500 3.202 2.777 3.743 . 0 0 "[ . 1 . 2]" 2
210 1 71 PHE QR 1 79 TYR QE . . 9.170 2.877 2.639 3.195 . 0 0 "[ . 1 . 2]" 2
211 1 71 PHE QR 1 96 TRP HE3 . . 8.300 4.345 3.568 4.784 . 0 0 "[ . 1 . 2]" 2
212 1 71 PHE QR 1 96 TRP HH2 . . 7.630 2.902 2.475 3.454 . 0 0 "[ . 1 . 2]" 2
213 1 71 PHE QR 1 96 TRP HZ3 . . 6.660 3.300 2.867 3.762 . 0 0 "[ . 1 . 2]" 2
214 1 72 THR H 1 72 THR HB . . 3.300 2.482 2.388 2.538 . 0 0 "[ . 1 . 2]" 2
215 1 72 THR HA 1 73 PRO HD2 . . 3.590 2.219 2.142 2.388 . 0 0 "[ . 1 . 2]" 2
216 1 72 THR HA 1 73 PRO HD3 . . 3.590 2.740 2.345 3.256 . 0 0 "[ . 1 . 2]" 2
217 1 72 THR HA 1 73 PRO QD . . 3.720 2.116 2.076 2.213 . 0 0 "[ . 1 . 2]" 2
218 1 77 ASP H 1 77 ASP HB2 . . 3.930 2.658 2.310 3.611 . 0 0 "[ . 1 . 2]" 2
219 1 77 ASP H 1 77 ASP HB3 . . 3.930 3.277 2.538 3.630 . 0 0 "[ . 1 . 2]" 2
220 1 77 ASP HA 1 78 GLU H . . 2.760 2.332 2.154 2.577 . 0 0 "[ . 1 . 2]" 2
221 1 78 GLU HA 1 79 TYR H . . 2.730 2.151 2.063 2.368 . 0 0 "[ . 1 . 2]" 2
222 1 79 TYR HA 1 80 ALA H . . 2.850 2.261 2.146 2.350 . 0 0 "[ . 1 . 2]" 2
223 1 79 TYR HB2 1 96 TRP HE3 . . 3.250 2.436 2.258 2.537 . 0 0 "[ . 1 . 2]" 2
224 1 80 ALA HA 1 81 CYS H . . 2.900 2.140 2.102 2.193 . 0 0 "[ . 1 . 2]" 2
225 1 81 CYS H 1 95 LYS HA . . 6.000 4.797 4.397 5.471 . 0 0 "[ . 1 . 2]" 2
226 1 81 CYS HA 1 82 ARG H . . 2.860 2.166 2.074 2.245 . 0 0 "[ . 1 . 2]" 2
227 1 82 ARG HA 1 83 VAL H . . 2.730 2.304 2.244 2.378 . 0 0 "[ . 1 . 2]" 2
228 1 82 ARG HA 1 83 VAL QG . . 7.020 3.656 3.284 3.800 . 0 0 "[ . 1 . 2]" 2
229 1 83 VAL HB 1 84 ASN H . . 6.000 4.532 4.413 4.572 . 0 0 "[ . 1 . 2]" 2
230 1 84 ASN HA 1 85 HIS H . . 2.750 2.259 2.195 2.355 . 0 0 "[ . 1 . 2]" 2
231 1 85 HIS H 1 86 VAL H . . 6.000 4.356 4.315 4.478 . 0 0 "[ . 1 . 2]" 2
232 1 85 HIS H 1 88 LEU H . . 6.000 3.572 3.178 3.841 . 0 0 "[ . 1 . 2]" 2
233 1 85 HIS HA 1 85 HIS HD2 . . 3.280 2.749 2.475 3.202 . 0 0 "[ . 1 . 2]" 2
234 1 85 HIS HD2 1 86 VAL H . . 6.000 2.860 2.328 3.815 . 0 0 "[ . 1 . 2]" 2
235 1 85 HIS QB 1 88 LEU HG . . 6.690 2.455 2.183 2.714 . 0 0 "[ . 1 . 2]" 2
236 1 86 VAL H 1 87 THR H . . 6.000 2.806 2.655 2.930 . 0 0 "[ . 1 . 2]" 2
237 1 86 VAL HA 1 86 VAL HB . . 2.940 2.602 2.380 3.034 0.094 17 0 "[ . 1 . 2]" 2
238 1 86 VAL QG 1 87 THR MG . . 7.640 2.665 2.253 3.806 . 0 0 "[ . 1 . 2]" 2
239 1 87 THR H 1 87 THR HG1 . . 3.180 2.014 1.881 2.123 . 0 0 "[ . 1 . 2]" 2
240 1 87 THR H 1 88 LEU H . . 6.000 2.566 2.515 2.658 . 0 0 "[ . 1 . 2]" 2
241 1 87 THR HA 1 87 THR HB . . 2.990 2.436 2.392 2.492 . 0 0 "[ . 1 . 2]" 2
242 1 87 THR HB 1 88 LEU H . . 6.000 3.756 3.431 4.009 . 0 0 "[ . 1 . 2]" 2
243 1 87 THR HB 1 88 LEU QD . . 8.100 3.761 3.041 4.287 . 0 0 "[ . 1 . 2]" 2
244 1 88 LEU QD 1 91 PRO HA . . 8.100 4.655 3.802 5.751 . 0 0 "[ . 1 . 2]" 2
245 1 88 LEU QD 1 92 LYS H . . 8.100 3.635 2.971 4.515 . 0 0 "[ . 1 . 2]" 2
246 1 89 SER QB 1 90 GLN QG . . 7.570 3.551 2.650 4.847 . 0 0 "[ . 1 . 2]" 2
247 1 90 GLN HA 1 91 PRO HD2 . . 3.130 2.378 2.258 2.503 . 0 0 "[ . 1 . 2]" 2
248 1 90 GLN HA 1 91 PRO HD3 . . 3.130 2.443 2.337 2.570 . 0 0 "[ . 1 . 2]" 2
249 1 90 GLN HA 1 91 PRO QD . . 3.500 2.143 2.088 2.179 . 0 0 "[ . 1 . 2]" 2
250 1 92 LYS H 1 93 ILE H . . 6.000 4.132 3.875 4.309 . 0 0 "[ . 1 . 2]" 2
251 1 92 LYS HA 1 93 ILE H . . 2.580 2.230 2.146 2.372 . 0 0 "[ . 1 . 2]" 2
252 1 92 LYS QB 1 94 VAL MG2 . . 7.710 3.248 2.549 4.129 . 0 0 "[ . 1 . 2]" 2
253 1 93 ILE MG 1 95 LYS QG . . 7.710 3.284 2.916 3.905 . 0 0 "[ . 1 . 2]" 2
254 1 94 VAL H 1 94 VAL HB . . 3.330 2.555 2.487 2.653 . 0 0 "[ . 1 . 2]" 2
255 1 94 VAL HA 1 95 LYS H . . 2.580 2.226 2.124 2.387 . 0 0 "[ . 1 . 2]" 2
256 1 94 VAL MG2 1 96 TRP H . . 7.020 5.987 5.905 6.080 . 0 0 "[ . 1 . 2]" 2
257 1 95 LYS HA 1 96 TRP H . . 2.700 2.188 2.124 2.232 . 0 0 "[ . 1 . 2]" 2
258 1 95 LYS QB 1 96 TRP H . . 6.880 3.626 3.408 3.691 . 0 0 "[ . 1 . 2]" 2
259 1 96 TRP H 1 96 TRP HB2 . . 3.380 2.595 2.491 2.726 . 0 0 "[ . 1 . 2]" 2
260 1 96 TRP H 1 96 TRP HB3 . . 3.150 2.351 2.275 2.415 . 0 0 "[ . 1 . 2]" 2
261 1 96 TRP HB2 1 96 TRP HE3 . . 3.660 3.771 3.712 3.847 0.187 13 0 "[ . 1 . 2]" 2
262 1 96 TRP HB3 1 96 TRP HE3 . . 3.050 2.415 2.387 2.485 . 0 0 "[ . 1 . 2]" 2
263 1 97 ASP HA 1 98 ARG H . . 2.870 2.233 2.076 2.468 . 0 0 "[ . 1 . 2]" 2
264 1 98 ARG H 1 98 ARG HB2 . . 3.920 3.541 2.620 3.627 . 0 0 "[ . 1 . 2]" 2
265 1 98 ARG H 1 98 ARG HB3 . . 3.920 2.528 2.285 3.067 . 0 0 "[ . 1 . 2]" 2
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