NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429717 |
2jml   |
15023 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jml
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 813
_Distance_constraint_stats_list.Viol_count 2894
_Distance_constraint_stats_list.Viol_total 14109.607
_Distance_constraint_stats_list.Viol_max 1.172
_Distance_constraint_stats_list.Viol_rms 0.1267
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0434
_Distance_constraint_stats_list.Viol_average_violations_only 0.2438
_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 4 MET 1.447 0.580 1 2 "[+ . 1- . 2]"
1 5 THR 0.512 0.182 2 0 "[ . 1 . 2]"
1 6 LEU 0.124 0.089 4 0 "[ . 1 . 2]"
1 7 ARG 12.048 0.568 11 2 "[ . -+ . 2]"
1 8 ILE 15.246 0.662 12 3 "[ - 1 + . *2]"
1 9 ARG 1.828 0.159 14 0 "[ . 1 . 2]"
1 10 THR 3.574 0.427 11 0 "[ . 1 . 2]"
1 11 ILE 13.350 0.632 19 2 "[ - 1 . +2]"
1 12 ALA 0.662 0.662 12 1 "[ . 1 + . 2]"
1 13 ARG 1.231 0.532 20 1 "[ . 1 . +]"
1 14 MET 12.394 0.427 11 0 "[ . 1 . 2]"
1 15 THR 5.439 0.542 18 2 "[ . 1 . -+ 2]"
1 16 GLY 7.679 0.434 5 0 "[ . 1 . 2]"
1 17 ILE 26.333 0.654 5 18 "[- *+***************]"
1 18 ARG 13.212 0.605 18 3 "[ * - 1 . + 2]"
1 19 GLU 41.654 1.013 17 16 "[* *** ***** ***+***]"
1 20 ALA 1.521 0.208 10 0 "[ . 1 . 2]"
1 21 THR 45.351 0.833 5 16 "[* *+***-*** **** **]"
1 22 LEU 28.281 1.013 17 15 "[ ***-**** ***+***]"
1 23 ARG 11.001 0.355 20 0 "[ . 1 . 2]"
1 24 ALA 10.857 0.566 19 5 "[ . ** *- +2]"
1 25 TRP 51.102 1.172 11 16 "[ * *** *-*+****** **]"
1 26 GLU 5.211 0.267 9 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 11.422 0.876 11 9 "[** -. *+* *** 2]"
1 29 TYR 44.768 1.172 11 19 "[** **-****+*********]"
1 30 GLY 0.328 0.065 3 0 "[ . 1 . 2]"
1 31 PHE 32.444 0.829 20 18 "[* *******-********+]"
1 32 PRO 14.307 0.710 2 18 "[*+ *.*****-*********]"
1 33 ARG 1.154 0.276 20 0 "[ . 1 . 2]"
1 34 PRO 1.419 0.276 20 0 "[ . 1 . 2]"
1 35 LEU 22.296 0.764 16 9 "[* - **1 ***.+ *]"
1 36 ARG 3.683 0.729 1 2 "[+ . 1 - . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 14.076 0.577 8 3 "[ * + 1 . - 2]"
1 39 GLY 4.074 0.415 13 0 "[ . 1 . 2]"
1 40 ASN 16.560 0.896 11 12 "[ *** ***+- *.** *]"
1 41 ASN 9.682 0.560 18 1 "[ . 1 . + 2]"
1 42 TYR 31.620 0.896 11 14 "[ *** ***+-**.*** *]"
1 43 ARG 5.770 0.561 13 1 "[ . 1 + . 2]"
1 44 VAL 9.067 0.764 16 8 "[ - **1 ***.+ *]"
1 45 TYR 31.148 0.710 2 6 "[-+ .* *1* * . 2]"
1 46 SER 18.508 0.665 10 6 "[- ** +* * . 2]"
1 47 ARG 3.111 0.306 13 0 "[ . 1 . 2]"
1 48 GLU 15.419 0.665 10 8 "[* ** * +* - . * 2]"
1 49 GLU 12.299 0.572 13 1 "[ . 1 + . 2]"
1 50 VAL 16.312 0.529 5 1 "[ + 1 . 2]"
1 51 GLU 4.633 0.596 17 2 "[ . 1 . + -2]"
1 52 ALA 14.362 0.596 17 3 "[ . 1 -. + *2]"
1 53 VAL 17.409 0.484 12 0 "[ . 1 . 2]"
1 54 ARG 4.683 0.232 3 0 "[ . 1 . 2]"
1 55 ARG 7.054 0.504 14 1 "[ . 1 +. 2]"
1 56 VAL 39.608 0.646 20 18 "[-* *** ************+]"
1 57 ALA 7.594 0.766 19 6 "[ .* *- * .* +2]"
1 58 ARG 6.182 0.490 11 0 "[ . 1 . 2]"
1 59 LEU 11.593 0.403 17 0 "[ . 1 . 2]"
1 60 ILE 21.874 0.612 17 2 "[ - 1 . + 2]"
1 61 GLN 14.154 0.643 1 2 "[+ - 1 . 2]"
1 62 GLU 15.754 0.657 7 3 "[ . + 1- . * 2]"
1 63 GLU 17.966 0.657 7 3 "[ . + 1* . - 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 28.759 1.011 20 19 "[** ***-************+]"
1 66 SER 40.701 0.788 9 19 "[** *****+*-*********]"
1 67 VAL 61.241 1.092 18 20 [**********-******+**]
1 68 SER 18.024 0.642 19 6 "[ -. ** 1 .* *+2]"
1 69 GLU 33.818 0.810 5 19 "[** *+****-**********]"
1 70 ALA 88.812 1.092 18 20 [**-**************+**]
1 71 ILE 53.301 0.829 20 13 "[ -** **** *****+]"
1 72 ALA 10.259 0.325 15 0 "[ . 1 . 2]"
1 73 GLN 11.042 0.982 8 1 "[ . + 1 . 2]"
1 74 VAL 9.431 0.438 17 0 "[ . 1 . 2]"
1 75 LYS 13.555 0.624 20 2 "[ . - 1 . +]"
1 76 THR 13.564 0.624 20 2 "[ . - 1 . +]"
1 77 GLU 8.821 0.491 17 0 "[ . 1 . 2]"
1 78 PRO 0.180 0.071 3 0 "[ . 1 . 2]"
1 79 PRO 3.116 0.308 3 0 "[ . 1 . 2]"
1 80 ARG 10.171 0.820 11 10 "[ **** 1+* *** -2]"
1 81 GLU 10.627 0.820 11 10 "[ **** 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 4 MET HA 1 4 MET HG2 . . 4.500 2.644 2.046 3.588 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET HA 1 4 MET QG . . 3.560 2.249 2.017 2.423 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 4 MET HG3 . . 3.020 2.684 2.177 3.600 0.580 1 2 "[+ . 1- . 2]" 1
4 1 4 MET HA 1 5 THR H . . 3.050 2.426 2.156 2.577 . 0 0 "[ . 1 . 2]" 1
5 1 5 THR H 1 5 THR MG . . 4.030 3.349 2.649 4.212 0.182 2 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 6 LEU QD . . 3.720 3.373 2.869 3.809 0.089 4 0 "[ . 1 . 2]" 1
7 1 5 THR HA 1 5 THR HB . . 2.960 2.553 2.396 3.029 0.069 2 0 "[ . 1 . 2]" 1
8 1 5 THR HA 1 5 THR MG . . 3.390 2.398 2.182 2.546 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR HA 1 6 LEU H . . 3.240 2.381 2.182 2.759 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR HB 1 6 LEU H . . 3.390 2.803 2.443 3.217 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR MG 1 44 VAL HB . . 6.500 4.030 2.347 6.331 . 0 0 "[ . 1 . 2]" 1
12 1 6 LEU H 1 6 LEU HG . . 5.100 4.472 3.453 4.942 . 0 0 "[ . 1 . 2]" 1
13 1 6 LEU HA 1 6 LEU QD . . 3.470 2.360 2.010 3.248 . 0 0 "[ . 1 . 2]" 1
14 1 6 LEU HA 1 6 LEU HG . . 3.760 3.456 2.481 3.773 0.013 2 0 "[ . 1 . 2]" 1
15 1 6 LEU HA 1 7 ARG H . . 2.830 2.476 2.217 2.669 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU QB 1 7 ARG H . . 3.280 2.342 2.043 2.850 . 0 0 "[ . 1 . 2]" 1
17 1 6 LEU QD 1 7 ARG H . . 4.540 3.106 2.208 4.235 . 0 0 "[ . 1 . 2]" 1
18 1 7 ARG H 1 7 ARG QB . . 3.280 2.717 2.368 3.233 . 0 0 "[ . 1 . 2]" 1
19 1 7 ARG H 1 7 ARG QG . . 2.400 2.516 2.098 2.968 0.568 11 1 "[ . 1+ . 2]" 1
20 1 7 ARG HA 1 45 TYR H . . 3.240 3.440 3.030 3.657 0.417 14 0 "[ . 1 . 2]" 1
21 1 7 ARG HA 1 45 TYR QD . . 3.910 2.783 2.058 3.616 . 0 0 "[ . 1 . 2]" 1
22 1 7 ARG HA 1 45 TYR QE . . 4.780 4.130 3.177 4.837 0.057 2 0 "[ . 1 . 2]" 1
23 1 7 ARG QB 1 42 TYR QD . . 4.260 4.365 3.795 4.721 0.461 20 0 "[ . 1 . 2]" 1
24 1 7 ARG QG 1 42 TYR QD . . 4.610 4.094 2.865 5.163 0.553 10 1 "[ . + . 2]" 1
25 1 8 ILE H 1 8 ILE HB . . 3.020 2.285 2.162 2.431 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE H 1 8 ILE MG . . 2.810 2.744 2.451 3.189 0.379 4 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 9 ARG H . . 4.290 2.937 2.774 3.125 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 45 TYR QE . . 3.790 2.745 2.076 3.291 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HA 1 8 ILE MD . . 3.620 2.582 2.086 3.687 0.067 12 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 8 ILE HG12 . . 3.290 2.786 2.139 3.717 0.427 13 0 "[ . 1 . 2]" 1
31 1 8 ILE HA 1 8 ILE QG . . 3.910 2.447 2.114 2.880 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HA 1 8 ILE HG13 . . 3.670 3.292 2.195 3.702 0.032 14 0 "[ . 1 . 2]" 1
33 1 8 ILE HA 1 9 ARG H . . 3.920 3.522 3.459 3.580 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE HA 1 11 ILE H . . 4.010 3.126 2.868 3.418 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HA 1 11 ILE HB . . 3.210 2.690 2.424 3.024 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE HA 1 11 ILE MD . . 3.830 2.715 2.088 3.259 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE HA 1 11 ILE HG12 . . 4.230 4.308 3.980 4.847 0.617 19 2 "[ - 1 . +2]" 1
38 1 8 ILE HA 1 11 ILE QG . . 3.340 2.688 2.280 3.285 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE HA 1 11 ILE HG13 . . 2.710 2.717 2.294 3.342 0.632 19 1 "[ . 1 . +2]" 1
40 1 8 ILE HA 1 11 ILE MG . . 4.380 4.132 3.868 4.463 0.083 17 0 "[ . 1 . 2]" 1
41 1 8 ILE HA 1 45 TYR QD . . 7.640 3.418 2.963 4.019 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HA 1 45 TYR QE . . 3.980 3.137 2.116 4.028 0.048 13 0 "[ . 1 . 2]" 1
43 1 8 ILE HB 1 8 ILE MD . . 3.570 2.951 2.300 3.313 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HB 1 8 ILE QG . . 2.600 2.230 2.118 2.449 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HB 1 8 ILE HG13 . . 2.690 2.592 2.292 3.048 0.358 16 0 "[ . 1 . 2]" 1
46 1 8 ILE HB 1 45 TYR QE . . 3.450 2.125 2.019 2.217 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 11 ILE MD . . 4.180 3.289 2.042 4.500 0.320 18 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 12 ALA H . . 4.540 3.374 2.734 5.202 0.662 12 1 "[ . 1 + . 2]" 1
49 1 8 ILE MD 1 45 TYR QE . . 4.250 3.571 2.264 4.629 0.379 8 0 "[ . 1 . 2]" 1
50 1 8 ILE QG 1 45 TYR QE . . 8.510 2.999 2.209 3.935 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE HG12 1 45 TYR QE . . 4.530 3.237 2.234 4.146 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MG 1 9 ARG H . . 3.460 2.239 2.000 2.422 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE MG 1 19 GLU HA . . 6.280 5.590 4.896 6.222 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MG 1 22 LEU QD . . 7.560 4.183 3.602 4.732 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MG 1 45 TYR QE . . 3.580 3.665 3.281 3.812 0.232 14 0 "[ . 1 . 2]" 1
56 1 9 ARG H 1 10 THR H . . 3.300 2.878 2.747 2.996 . 0 0 "[ . 1 . 2]" 1
57 1 9 ARG HA 1 10 THR H . . 3.450 3.537 3.371 3.609 0.159 14 0 "[ . 1 . 2]" 1
58 1 9 ARG QG 1 42 TYR QD . . 8.520 6.213 3.490 8.445 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR H 1 10 THR HB . . 3.270 2.561 2.374 2.722 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR H 1 11 ILE H . . 3.330 2.496 2.167 2.739 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HA 1 10 THR MG . . 3.380 2.362 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR HB 1 11 ILE H . . 3.420 2.727 2.492 3.212 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR MG 1 14 MET ME . . 4.060 3.758 2.579 4.487 0.427 11 0 "[ . 1 . 2]" 1
64 1 10 THR MG 1 14 MET QG . . 4.470 4.302 3.747 4.855 0.385 17 0 "[ . 1 . 2]" 1
65 1 11 ILE H 1 11 ILE HB . . 3.020 2.657 2.518 2.761 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE H 1 11 ILE MD . . 4.410 3.717 3.545 3.890 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE H 1 11 ILE HG12 . . 3.520 3.134 2.897 3.337 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE H 1 11 ILE QG . . 3.910 2.080 1.945 2.270 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE H 1 11 ILE HG13 . . 3.970 2.113 1.963 2.317 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE H 1 11 ILE MG . . 4.380 3.830 3.772 3.865 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE H 1 12 ALA H . . 3.610 2.694 2.294 2.884 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE HA 1 11 ILE MD . . 4.020 3.852 3.774 3.948 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE HA 1 11 ILE QG . . 3.920 2.463 2.354 2.564 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE HA 1 11 ILE HG13 . . 3.620 3.264 3.106 3.395 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE HA 1 11 ILE MG . . 3.330 2.371 2.287 2.462 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE HA 1 13 ARG H . . 5.500 4.626 4.388 4.872 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE HA 1 14 MET H . . 3.830 3.974 3.806 4.164 0.334 1 0 "[ . 1 . 2]" 1
78 1 11 ILE HA 1 50 VAL MG1 . . 4.630 4.075 3.568 4.569 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE HA 1 50 VAL MG2 . . 3.760 3.791 3.188 4.289 0.529 5 1 "[ + 1 . 2]" 1
80 1 11 ILE HB 1 11 ILE MD . . 3.640 2.541 2.457 2.630 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE HB 1 22 LEU QD . . 4.240 2.712 2.208 3.462 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE MD 1 11 ILE MG . . 3.270 2.040 2.001 2.082 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE MD 1 22 LEU QD . . 4.130 3.261 2.975 3.921 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE MD 1 45 TYR HB2 . . 3.430 2.380 2.154 2.738 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE MD 1 45 TYR HB3 . . 2.580 2.595 2.328 2.946 0.366 20 0 "[ . 1 . 2]" 1
86 1 11 ILE MD 1 45 TYR QD . . 3.900 2.612 2.163 2.985 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE MD 1 45 TYR QE . . 8.660 3.364 2.768 3.767 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE MD 1 50 VAL HA . . 4.590 3.192 2.676 3.648 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE MD 1 50 VAL MG2 . . 3.480 2.130 1.859 2.416 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE QG 1 45 TYR QD . . 8.520 3.504 2.525 4.378 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE QG 1 45 TYR QE . . 7.950 4.612 3.571 5.495 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE MG 1 50 VAL HA . . 3.690 3.424 2.914 3.755 0.065 20 0 "[ . 1 . 2]" 1
93 1 11 ILE MG 1 53 VAL HB . . 5.940 3.258 2.750 3.640 . 0 0 "[ . 1 . 2]" 1
94 1 12 ALA H 1 12 ALA MB . . 3.240 2.172 2.090 2.202 . 0 0 "[ . 1 . 2]" 1
95 1 12 ALA H 1 13 ARG H . . 3.080 2.806 2.611 2.954 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA H 1 22 LEU QD . . 3.430 2.963 2.752 3.425 . 0 0 "[ . 1 . 2]" 1
97 1 12 ALA HA 1 13 ARG H . . 4.480 3.579 3.511 3.613 . 0 0 "[ . 1 . 2]" 1
98 1 12 ALA HA 1 22 LEU QD . . 3.660 2.252 1.897 2.464 . 0 0 "[ . 1 . 2]" 1
99 1 12 ALA MB 1 13 ARG H . . 3.460 2.505 2.379 2.658 . 0 0 "[ . 1 . 2]" 1
100 1 12 ALA MB 1 19 GLU H . . 3.850 3.432 3.081 3.737 . 0 0 "[ . 1 . 2]" 1
101 1 12 ALA MB 1 19 GLU HA . . 3.430 2.721 2.410 3.426 . 0 0 "[ . 1 . 2]" 1
102 1 12 ALA MB 1 19 GLU QG . . 3.870 2.195 1.941 2.422 . 0 0 "[ . 1 . 2]" 1
103 1 12 ALA MB 1 22 LEU QD . . 2.970 2.197 1.935 2.511 . 0 0 "[ . 1 . 2]" 1
104 1 13 ARG H 1 13 ARG HA . . 2.770 2.786 2.721 2.847 0.077 10 0 "[ . 1 . 2]" 1
105 1 13 ARG H 1 13 ARG QB . . 3.050 2.182 2.047 2.490 . 0 0 "[ . 1 . 2]" 1
106 1 13 ARG H 1 13 ARG QG . . 3.280 2.890 2.393 3.812 0.532 20 1 "[ . 1 . +]" 1
107 1 13 ARG H 1 14 MET H . . 3.080 3.023 2.800 3.102 0.022 5 0 "[ . 1 . 2]" 1
108 1 13 ARG HA 1 16 GLY H . . 5.500 3.466 3.096 3.949 . 0 0 "[ . 1 . 2]" 1
109 1 14 MET H 1 14 MET HB2 . . 2.520 2.425 2.328 2.519 . 0 0 "[ . 1 . 2]" 1
110 1 14 MET H 1 14 MET HB3 . . 3.270 3.598 3.569 3.627 0.357 18 0 "[ . 1 . 2]" 1
111 1 14 MET H 1 14 MET QG . . 3.630 2.362 2.124 2.462 . 0 0 "[ . 1 . 2]" 1
112 1 14 MET H 1 15 THR H . . 3.140 2.816 2.772 2.895 . 0 0 "[ . 1 . 2]" 1
113 1 14 MET HA 1 14 MET QG . . 3.550 2.571 2.266 2.838 . 0 0 "[ . 1 . 2]" 1
114 1 14 MET HB2 1 15 THR H . . 2.800 2.789 2.394 3.068 0.268 18 0 "[ . 1 . 2]" 1
115 1 15 THR H 1 15 THR HB . . 3.800 3.741 3.088 4.061 0.261 8 0 "[ . 1 . 2]" 1
116 1 15 THR H 1 15 THR MG . . 3.630 3.219 2.440 4.172 0.542 18 2 "[ . 1 . -+ 2]" 1
117 1 15 THR H 1 16 GLY H . . 3.080 1.837 1.801 1.889 . 0 0 "[ . 1 . 2]" 1
118 1 15 THR H 1 17 ILE H . . 4.880 4.628 4.028 4.857 . 0 0 "[ . 1 . 2]" 1
119 1 15 THR HA 1 15 THR MG . . 3.390 2.653 2.243 3.269 . 0 0 "[ . 1 . 2]" 1
120 1 15 THR HA 1 16 GLY H . . 4.250 3.477 3.421 3.550 . 0 0 "[ . 1 . 2]" 1
121 1 15 THR MG 1 16 GLY H . . 4.370 3.894 2.253 4.455 0.085 1 0 "[ . 1 . 2]" 1
122 1 16 GLY H 1 17 ILE H . . 3.270 3.476 2.810 3.704 0.434 5 0 "[ . 1 . 2]" 1
123 1 16 GLY H 1 17 ILE HA . . 5.500 5.626 5.225 5.706 0.206 1 0 "[ . 1 . 2]" 1
124 1 16 GLY HA2 1 17 ILE H . . 4.060 3.586 3.455 3.611 . 0 0 "[ . 1 . 2]" 1
125 1 17 ILE H 1 17 ILE HB . . 2.990 3.293 2.164 3.644 0.654 5 16 "[- *+* ********** **]" 1
126 1 17 ILE H 1 17 ILE MD . . 4.260 4.062 1.924 4.573 0.313 18 0 "[ . 1 . 2]" 1
127 1 17 ILE H 1 17 ILE QG . . 3.840 3.382 2.813 3.939 0.099 1 0 "[ . 1 . 2]" 1
128 1 17 ILE H 1 17 ILE MG . . 4.040 2.112 1.855 3.837 . 0 0 "[ . 1 . 2]" 1
129 1 17 ILE HA 1 17 ILE MD . . 3.520 3.426 2.779 3.827 0.307 20 0 "[ . 1 . 2]" 1
130 1 17 ILE HA 1 17 ILE QG . . 3.700 3.278 2.187 3.592 . 0 0 "[ . 1 . 2]" 1
131 1 17 ILE HA 1 17 ILE MG . . 3.330 2.765 2.387 3.278 . 0 0 "[ . 1 . 2]" 1
132 1 17 ILE HA 1 18 ARG H . . 3.510 3.489 3.382 3.539 0.029 2 0 "[ . 1 . 2]" 1
133 1 17 ILE MD 1 17 ILE MG . . 3.100 2.874 2.111 3.236 0.136 15 0 "[ . 1 . 2]" 1
134 1 17 ILE MD 1 18 ARG H . . 3.430 3.273 2.273 4.035 0.605 18 2 "[ . - 1 . + 2]" 1
135 1 17 ILE MD 1 61 GLN QE . . 3.600 2.959 2.204 3.551 . 0 0 "[ . 1 . 2]" 1
136 1 17 ILE QG 1 61 GLN QE . . 4.510 4.000 3.422 4.606 0.096 11 0 "[ . 1 . 2]" 1
137 1 17 ILE MG 1 18 ARG H . . 3.400 3.366 2.035 4.004 0.604 5 1 "[ + 1 . 2]" 1
138 1 18 ARG H 1 18 ARG QG . . 3.450 2.550 2.069 3.766 0.316 19 0 "[ . 1 . 2]" 1
139 1 18 ARG H 1 19 GLU H . . 3.860 2.830 2.737 2.899 . 0 0 "[ . 1 . 2]" 1
140 1 18 ARG HA 1 19 GLU H . . 3.170 3.523 3.488 3.567 0.397 12 0 "[ . 1 . 2]" 1
141 1 18 ARG QB 1 19 GLU H . . 3.740 3.323 2.871 3.940 0.200 7 0 "[ . 1 . 2]" 1
142 1 18 ARG QG 1 19 GLU H . . 5.450 4.201 2.693 5.071 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLU H 1 19 GLU QB . . 3.040 2.228 2.126 2.427 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLU H 1 19 GLU QG . . 3.680 3.840 2.288 3.981 0.301 7 0 "[ . 1 . 2]" 1
145 1 19 GLU H 1 20 ALA H . . 3.640 2.788 2.667 2.971 . 0 0 "[ . 1 . 2]" 1
146 1 19 GLU HA 1 19 GLU QG . . 3.390 2.244 2.095 2.618 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLU HA 1 20 ALA H . . 4.280 3.547 3.519 3.569 . 0 0 "[ . 1 . 2]" 1
148 1 19 GLU HA 1 22 LEU H . . 3.700 3.284 3.026 3.534 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLU HA 1 22 LEU QB . . 4.640 2.415 2.183 2.587 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLU HA 1 22 LEU HB3 . . 4.180 4.050 3.790 4.231 0.051 5 0 "[ . 1 . 2]" 1
151 1 19 GLU HA 1 22 LEU QD . . 3.780 2.182 1.935 2.406 . 0 0 "[ . 1 . 2]" 1
152 1 19 GLU HA 1 22 LEU HG . . 2.900 3.590 3.157 3.913 1.013 17 14 "[ *** **** ***+**-]" 1
153 1 19 GLU HA 1 23 ARG H . . 3.390 3.570 3.351 3.745 0.355 20 0 "[ . 1 . 2]" 1
154 1 19 GLU QB 1 20 ALA H . . 3.250 2.501 2.240 2.824 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLU QB 1 21 THR H . . 4.020 4.565 4.312 4.745 0.725 11 13 "[* *** ***+* *.*- *]" 1
156 1 19 GLU QG 1 20 ALA H . . 4.070 4.078 3.922 4.278 0.208 10 0 "[ . 1 . 2]" 1
157 1 20 ALA H 1 20 ALA MB . . 3.070 2.171 2.125 2.195 . 0 0 "[ . 1 . 2]" 1
158 1 20 ALA H 1 21 THR H . . 3.520 2.766 2.670 2.909 . 0 0 "[ . 1 . 2]" 1
159 1 20 ALA HA 1 24 ALA H . . 4.290 4.179 3.895 4.470 0.180 20 0 "[ . 1 . 2]" 1
160 1 20 ALA MB 1 21 THR H . . 3.680 2.812 2.645 2.990 . 0 0 "[ . 1 . 2]" 1
161 1 21 THR H 1 21 THR HB . . 2.830 2.330 2.170 2.701 . 0 0 "[ . 1 . 2]" 1
162 1 21 THR H 1 21 THR MG . . 3.740 3.301 2.744 3.699 . 0 0 "[ . 1 . 2]" 1
163 1 21 THR H 1 22 LEU H . . 3.180 2.384 2.258 2.558 . 0 0 "[ . 1 . 2]" 1
164 1 21 THR HA 1 21 THR MG . . 3.110 2.906 2.566 3.263 0.153 5 0 "[ . 1 . 2]" 1
165 1 21 THR HA 1 22 LEU H . . 4.380 3.585 3.566 3.610 . 0 0 "[ . 1 . 2]" 1
166 1 21 THR HA 1 24 ALA H . . 3.020 3.451 3.220 3.586 0.566 19 5 "[ . ** *- +2]" 1
167 1 21 THR HA 1 24 ALA MB . . 3.390 2.306 1.975 2.497 . 0 0 "[ . 1 . 2]" 1
168 1 21 THR HA 1 25 TRP H . . 3.950 3.801 3.521 3.917 . 0 0 "[ . 1 . 2]" 1
169 1 21 THR HA 1 25 TRP HE1 . . 5.500 4.644 3.668 4.992 . 0 0 "[ . 1 . 2]" 1
170 1 21 THR HB 1 22 LEU H . . 3.050 3.196 2.688 3.883 0.833 5 5 "[ + 1* *. * -]" 1
171 1 21 THR MG 1 22 LEU H . . 3.040 2.728 2.349 3.161 0.121 9 0 "[ . 1 . 2]" 1
172 1 21 THR MG 1 22 LEU HA . . 3.000 3.286 2.797 3.515 0.515 8 2 "[ . -+ 1 . 2]" 1
173 1 21 THR MG 1 25 TRP H . . 4.420 4.187 3.650 4.613 0.193 17 0 "[ . 1 . 2]" 1
174 1 21 THR MG 1 25 TRP HD1 . . 4.220 4.201 3.775 4.710 0.490 14 0 "[ . 1 . 2]" 1
175 1 21 THR MG 1 25 TRP HE1 . . 3.430 3.056 2.608 3.643 0.213 14 0 "[ . 1 . 2]" 1
176 1 21 THR MG 1 25 TRP HE3 . . 3.440 3.885 3.344 4.223 0.783 17 8 "[ * *-*** .*+ 2]" 1
177 1 21 THR MG 1 25 TRP HZ2 . . 3.920 2.589 2.300 2.755 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU H 1 22 LEU HB2 . . 3.550 2.463 2.373 2.543 . 0 0 "[ . 1 . 2]" 1
179 1 22 LEU H 1 22 LEU QB . . 3.340 2.422 2.340 2.489 . 0 0 "[ . 1 . 2]" 1
180 1 22 LEU H 1 22 LEU HB3 . . 3.550 3.577 3.544 3.606 0.056 13 0 "[ . 1 . 2]" 1
181 1 22 LEU H 1 22 LEU QD . . 4.390 3.053 2.935 3.099 . 0 0 "[ . 1 . 2]" 1
182 1 22 LEU H 1 22 LEU HG . . 3.270 2.232 2.093 2.340 . 0 0 "[ . 1 . 2]" 1
183 1 22 LEU H 1 23 ARG H . . 3.420 2.867 2.762 2.958 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU HA 1 22 LEU HB2 . . 2.990 3.042 3.010 3.049 0.059 11 0 "[ . 1 . 2]" 1
185 1 22 LEU HA 1 22 LEU HB3 . . 2.760 2.504 2.359 2.567 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU HA 1 22 LEU QD . . 3.400 2.308 2.198 2.505 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU HA 1 22 LEU HG . . 3.680 2.931 2.812 3.081 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU HA 1 23 ARG H . . 5.100 3.597 3.556 3.628 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU HA 1 25 TRP H . . 3.830 3.573 3.453 3.749 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU HA 1 25 TRP QB . . 3.180 2.913 2.757 3.138 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU HA 1 25 TRP HE3 . . 4.270 2.598 2.365 3.043 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QB 1 23 ARG H . . 3.840 2.311 2.219 2.394 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QB 1 25 TRP HH2 . . 6.380 6.409 6.276 6.573 0.193 20 0 "[ . 1 . 2]" 1
194 1 22 LEU QB 1 32 PRO QD . . 5.980 3.681 3.364 4.685 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU HB2 1 23 ARG H . . 3.270 2.353 2.251 2.453 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU QD 1 23 ARG H . . 5.470 3.915 3.755 4.009 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU QD 1 25 TRP H . . 6.120 5.164 5.016 5.388 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU QD 1 25 TRP HE3 . . 4.540 2.580 2.331 3.068 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU QD 1 32 PRO HD2 . . 6.000 2.792 2.477 3.781 . 0 0 "[ . 1 . 2]" 1
200 1 22 LEU QD 1 32 PRO QD . . 5.590 2.457 2.221 3.121 . 0 0 "[ . 1 . 2]" 1
201 1 22 LEU QD 1 32 PRO HD3 . . 6.000 2.735 2.488 3.325 . 0 0 "[ . 1 . 2]" 1
202 1 22 LEU QD 1 53 VAL QG . . 9.120 2.002 1.904 2.185 . 0 0 "[ . 1 . 2]" 1
203 1 22 LEU HG 1 25 TRP HH2 . . 5.250 5.057 4.777 5.306 0.056 20 0 "[ . 1 . 2]" 1
204 1 22 LEU HG 1 25 TRP HZ3 . . 5.280 4.189 3.858 4.555 . 0 0 "[ . 1 . 2]" 1
205 1 23 ARG H 1 23 ARG HA . . 2.650 2.904 2.873 2.946 0.296 3 0 "[ . 1 . 2]" 1
206 1 23 ARG H 1 23 ARG QB . . 2.400 2.394 2.308 2.626 0.226 15 0 "[ . 1 . 2]" 1
207 1 23 ARG H 1 23 ARG QG . . 2.400 2.403 2.232 2.526 0.126 8 0 "[ . 1 . 2]" 1
208 1 23 ARG H 1 24 ALA H . . 3.360 2.682 2.515 2.757 . 0 0 "[ . 1 . 2]" 1
209 1 23 ARG HA 1 24 ALA H . . 4.630 3.535 3.473 3.591 . 0 0 "[ . 1 . 2]" 1
210 1 23 ARG HA 1 26 GLU H . . 3.450 3.384 3.231 3.613 0.163 20 0 "[ . 1 . 2]" 1
211 1 23 ARG QB 1 24 ALA H . . 3.610 3.208 2.671 3.806 0.196 20 0 "[ . 1 . 2]" 1
212 1 24 ALA H 1 24 ALA MB . . 3.110 2.246 2.081 2.355 . 0 0 "[ . 1 . 2]" 1
213 1 24 ALA H 1 25 TRP H . . 3.270 2.721 2.488 2.898 . 0 0 "[ . 1 . 2]" 1
214 1 24 ALA HA 1 25 TRP H . . 3.760 3.637 3.615 3.661 . 0 0 "[ . 1 . 2]" 1
215 1 24 ALA MB 1 25 TRP H . . 3.390 2.453 2.298 2.543 . 0 0 "[ . 1 . 2]" 1
216 1 24 ALA MB 1 25 TRP HA . . 3.900 3.865 3.746 3.964 0.064 19 0 "[ . 1 . 2]" 1
217 1 24 ALA MB 1 25 TRP HD1 . . 3.590 3.533 3.148 3.829 0.239 18 0 "[ . 1 . 2]" 1
218 1 25 TRP H 1 25 TRP QB . . 2.710 2.568 2.495 2.624 . 0 0 "[ . 1 . 2]" 1
219 1 25 TRP H 1 25 TRP HD1 . . 3.710 3.121 2.779 3.347 . 0 0 "[ . 1 . 2]" 1
220 1 25 TRP H 1 25 TRP HE3 . . 4.650 4.564 4.339 4.822 0.172 11 0 "[ . 1 . 2]" 1
221 1 25 TRP H 1 26 GLU H . . 3.270 2.952 2.858 3.017 . 0 0 "[ . 1 . 2]" 1
222 1 25 TRP HA 1 25 TRP HD1 . . 3.260 2.426 2.280 2.583 . 0 0 "[ . 1 . 2]" 1
223 1 25 TRP HA 1 25 TRP HE1 . . 4.690 4.918 4.782 5.060 0.370 11 0 "[ . 1 . 2]" 1
224 1 25 TRP HA 1 26 GLU H . . 3.490 3.574 3.534 3.621 0.131 19 0 "[ . 1 . 2]" 1
225 1 25 TRP HA 1 28 ARG H . . 3.450 2.840 2.715 2.987 . 0 0 "[ . 1 . 2]" 1
226 1 25 TRP HA 1 28 ARG HB2 . . 4.170 2.778 2.029 3.272 . 0 0 "[ . 1 . 2]" 1
227 1 25 TRP HA 1 28 ARG QB . . 3.700 2.025 1.934 2.095 . 0 0 "[ . 1 . 2]" 1
228 1 25 TRP HA 1 28 ARG HB3 . . 3.760 2.263 2.005 3.645 . 0 0 "[ . 1 . 2]" 1
229 1 25 TRP HA 1 29 TYR QD . . 2.850 2.473 2.211 2.701 . 0 0 "[ . 1 . 2]" 1
230 1 25 TRP HA 1 29 TYR QE . . 3.820 3.771 3.601 3.962 0.142 9 0 "[ . 1 . 2]" 1
231 1 25 TRP QB 1 25 TRP HE3 . . 3.570 2.487 2.430 2.559 . 0 0 "[ . 1 . 2]" 1
232 1 25 TRP QB 1 26 GLU H . . 3.610 2.641 2.565 2.742 . 0 0 "[ . 1 . 2]" 1
233 1 25 TRP QB 1 29 TYR QD . . 3.830 2.765 2.534 3.071 . 0 0 "[ . 1 . 2]" 1
234 1 25 TRP QB 1 31 PHE QD . . 3.950 3.561 3.399 3.895 . 0 0 "[ . 1 . 2]" 1
235 1 25 TRP QB 1 71 ILE MD . . 5.290 3.063 2.778 3.342 . 0 0 "[ . 1 . 2]" 1
236 1 25 TRP QB 1 71 ILE MG . . 5.600 4.870 4.546 5.266 . 0 0 "[ . 1 . 2]" 1
237 1 25 TRP HD1 1 28 ARG QD . . 3.100 2.749 2.449 3.868 0.768 11 1 "[ . 1+ . 2]" 1
238 1 25 TRP HD1 1 29 TYR QE . . 3.840 2.490 2.069 2.901 . 0 0 "[ . 1 . 2]" 1
239 1 25 TRP HD1 1 67 VAL QG . . 4.120 2.676 2.457 3.221 . 0 0 "[ . 1 . 2]" 1
240 1 25 TRP HE1 1 29 TYR QE . . 2.930 3.544 3.065 4.102 1.172 11 15 "[ * **- ***+ ***** **]" 1
241 1 25 TRP HE1 1 67 VAL QG . . 3.840 1.737 1.629 2.329 . 0 0 "[ . 1 . 2]" 1
242 1 25 TRP HE3 1 31 PHE QD . . 3.450 2.995 2.515 3.251 . 0 0 "[ . 1 . 2]" 1
243 1 25 TRP HE3 1 31 PHE QE . . 3.890 4.098 3.746 4.300 0.410 9 0 "[ . 1 . 2]" 1
244 1 25 TRP HE3 1 32 PRO HD2 . . 4.240 2.552 2.331 4.018 . 0 0 "[ . 1 . 2]" 1
245 1 25 TRP HE3 1 32 PRO QD . . 5.670 2.190 2.057 3.172 . 0 0 "[ . 1 . 2]" 1
246 1 25 TRP HE3 1 53 VAL QG . . 3.460 3.490 3.323 3.620 0.160 13 0 "[ . 1 . 2]" 1
247 1 25 TRP HE3 1 71 ILE MD . . 5.410 3.951 3.593 4.267 . 0 0 "[ . 1 . 2]" 1
248 1 25 TRP HH2 1 53 VAL QG . . 5.500 2.929 2.570 3.366 . 0 0 "[ . 1 . 2]" 1
249 1 25 TRP HH2 1 56 VAL MG1 . . 3.750 2.348 2.174 2.619 . 0 0 "[ . 1 . 2]" 1
250 1 25 TRP HH2 1 56 VAL QG . . 6.130 2.336 2.166 2.612 . 0 0 "[ . 1 . 2]" 1
251 1 25 TRP HH2 1 57 ALA H . . 5.010 3.349 2.852 4.039 . 0 0 "[ . 1 . 2]" 1
252 1 25 TRP HH2 1 57 ALA MB . . 3.270 3.160 2.664 3.469 0.199 7 0 "[ . 1 . 2]" 1
253 1 25 TRP HZ2 1 60 ILE MD . . 4.420 2.082 1.946 2.374 . 0 0 "[ . 1 . 2]" 1
254 1 25 TRP HZ2 1 67 VAL QG . . 4.170 2.524 2.103 2.999 . 0 0 "[ . 1 . 2]" 1
255 1 25 TRP HZ3 1 31 PHE QD . . 6.570 3.540 2.954 3.846 . 0 0 "[ . 1 . 2]" 1
256 1 25 TRP HZ3 1 53 VAL HA . . 3.390 3.531 3.364 3.810 0.420 20 0 "[ . 1 . 2]" 1
257 1 25 TRP HZ3 1 53 VAL QG . . 3.300 2.024 1.839 2.258 . 0 0 "[ . 1 . 2]" 1
258 1 25 TRP HZ3 1 56 VAL QG . . 5.580 3.861 3.271 4.222 . 0 0 "[ . 1 . 2]" 1
259 1 25 TRP HZ3 1 57 ALA HA . . 5.410 5.724 5.045 6.176 0.766 19 6 "[ .* *- * .* +2]" 1
260 1 26 GLU H 1 26 GLU HB2 . . 3.080 2.416 1.987 3.212 0.132 16 0 "[ . 1 . 2]" 1
261 1 26 GLU H 1 26 GLU HB3 . . 3.410 2.650 2.059 3.079 . 0 0 "[ . 1 . 2]" 1
262 1 26 GLU H 1 26 GLU QG . . 3.640 3.770 3.492 3.907 0.267 9 0 "[ . 1 . 2]" 1
263 1 26 GLU H 1 27 ARG H . . 3.330 2.985 2.873 3.098 . 0 0 "[ . 1 . 2]" 1
264 1 26 GLU HA 1 26 GLU QG . . 3.290 2.489 2.175 3.114 . 0 0 "[ . 1 . 2]" 1
265 1 26 GLU HA 1 30 GLY H . . 4.010 3.555 3.263 4.075 0.065 3 0 "[ . 1 . 2]" 1
266 1 26 GLU HB3 1 27 ARG H . . 3.550 2.860 2.322 3.476 . 0 0 "[ . 1 . 2]" 1
267 1 27 ARG H 1 28 ARG H . . 3.110 2.195 2.049 2.311 . 0 0 "[ . 1 . 2]" 1
268 1 27 ARG HA 1 28 ARG H . . 5.370 3.422 3.323 3.533 . 0 0 "[ . 1 . 2]" 1
269 1 28 ARG H 1 28 ARG HB2 . . 3.140 2.297 2.135 2.454 . 0 0 "[ . 1 . 2]" 1
270 1 28 ARG H 1 28 ARG QB . . 2.860 2.202 2.094 2.345 . 0 0 "[ . 1 . 2]" 1
271 1 28 ARG H 1 28 ARG HB3 . . 3.140 2.923 2.627 3.615 0.475 18 0 "[ . 1 . 2]" 1
272 1 28 ARG H 1 29 TYR H . . 3.490 2.540 2.364 2.745 . 0 0 "[ . 1 . 2]" 1
273 1 28 ARG HA 1 28 ARG HG3 . . 3.400 2.578 2.190 3.535 0.135 11 0 "[ . 1 . 2]" 1
274 1 28 ARG QB 1 29 TYR QD . . 6.870 2.591 2.336 2.778 . 0 0 "[ . 1 . 2]" 1
275 1 28 ARG QB 1 29 TYR QE . . 8.050 2.795 2.610 2.990 . 0 0 "[ . 1 . 2]" 1
276 1 28 ARG HB2 1 29 TYR QD . . 3.750 4.074 2.786 4.456 0.706 15 8 "[** -. * * +** 2]" 1
277 1 28 ARG HB3 1 28 ARG QD . . 3.580 2.392 2.239 2.622 . 0 0 "[ . 1 . 2]" 1
278 1 28 ARG HB3 1 29 TYR QD . . 3.810 2.654 2.357 3.176 . 0 0 "[ . 1 . 2]" 1
279 1 28 ARG HB3 1 29 TYR QE . . 3.840 2.852 2.643 3.046 . 0 0 "[ . 1 . 2]" 1
280 1 28 ARG QD 1 28 ARG HE . . 2.570 2.414 2.190 2.525 . 0 0 "[ . 1 . 2]" 1
281 1 28 ARG QD 1 29 TYR QE . . 4.360 2.277 2.101 2.699 . 0 0 "[ . 1 . 2]" 1
282 1 28 ARG QG 1 29 TYR QD . . 7.960 3.920 3.600 4.663 . 0 0 "[ . 1 . 2]" 1
283 1 28 ARG QG 1 29 TYR QE . . 7.210 3.076 2.638 4.046 . 0 0 "[ . 1 . 2]" 1
284 1 28 ARG HG2 1 29 TYR QE . . 4.070 3.199 2.670 4.946 0.876 11 1 "[ . 1+ . 2]" 1
285 1 28 ARG HG3 1 29 TYR QE . . 7.480 4.347 4.080 4.850 . 0 0 "[ . 1 . 2]" 1
286 1 29 TYR H 1 29 TYR QD . . 2.540 3.226 2.835 3.346 0.806 6 19 "[** **+***********-**]" 1
287 1 29 TYR H 1 30 GLY H . . 3.140 1.944 1.850 2.310 . 0 0 "[ . 1 . 2]" 1
288 1 29 TYR HA 1 30 GLY H . . 3.550 3.559 3.512 3.578 0.028 5 0 "[ . 1 . 2]" 1
289 1 29 TYR QB 1 71 ILE MD . . 4.990 2.543 2.449 2.715 . 0 0 "[ . 1 . 2]" 1
290 1 29 TYR HB2 1 29 TYR QD . . 3.150 2.334 2.270 2.371 . 0 0 "[ . 1 . 2]" 1
291 1 29 TYR HB2 1 29 TYR QE . . 4.700 4.424 4.383 4.451 . 0 0 "[ . 1 . 2]" 1
292 1 29 TYR HB2 1 71 ILE MD . . 3.530 2.650 2.519 2.803 . 0 0 "[ . 1 . 2]" 1
293 1 29 TYR HB2 1 71 ILE MG . . 5.290 3.106 2.824 3.684 . 0 0 "[ . 1 . 2]" 1
294 1 29 TYR HB3 1 29 TYR QD . . 3.260 2.493 2.466 2.560 . 0 0 "[ . 1 . 2]" 1
295 1 29 TYR HB3 1 71 ILE MD . . 4.020 3.322 2.825 3.634 . 0 0 "[ . 1 . 2]" 1
296 1 29 TYR HB3 1 71 ILE MG . . 3.840 2.658 2.483 2.891 . 0 0 "[ . 1 . 2]" 1
297 1 29 TYR QD 1 31 PHE QB . . 8.520 4.162 3.784 4.531 . 0 0 "[ . 1 . 2]" 1
298 1 29 TYR QD 1 67 VAL QG . . 4.080 3.433 3.112 3.759 . 0 0 "[ . 1 . 2]" 1
299 1 29 TYR QD 1 68 SER HA . . 4.400 4.382 3.884 4.586 0.186 18 0 "[ . 1 . 2]" 1
300 1 29 TYR QD 1 71 ILE MD . . 3.430 2.561 2.298 3.089 . 0 0 "[ . 1 . 2]" 1
301 1 29 TYR QD 1 71 ILE HG12 . . 7.640 5.140 4.877 5.570 . 0 0 "[ . 1 . 2]" 1
302 1 29 TYR QD 1 71 ILE MG . . 4.450 3.360 2.994 3.953 . 0 0 "[ . 1 . 2]" 1
303 1 29 TYR QE 1 31 PHE QD . . 9.750 6.329 5.913 6.717 . 0 0 "[ . 1 . 2]" 1
304 1 29 TYR QE 1 67 VAL HB . . 4.480 4.550 4.328 4.743 0.263 18 0 "[ . 1 . 2]" 1
305 1 29 TYR QE 1 67 VAL QG . . 3.490 2.022 1.923 2.147 . 0 0 "[ . 1 . 2]" 1
306 1 29 TYR QE 1 68 SER HA . . 4.130 3.382 3.049 3.713 . 0 0 "[ . 1 . 2]" 1
307 1 29 TYR QE 1 68 SER QB . . 3.400 3.644 2.691 4.042 0.642 19 6 "[ *. -* 1 .* *+2]" 1
308 1 29 TYR QE 1 71 ILE MD . . 3.950 3.235 2.884 3.861 . 0 0 "[ . 1 . 2]" 1
309 1 30 GLY H 1 31 PHE H . . 3.300 2.515 1.983 2.817 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLY HA3 1 31 PHE H . . 4.080 3.316 3.133 3.539 . 0 0 "[ . 1 . 2]" 1
311 1 31 PHE H 1 31 PHE HB2 . . 3.210 2.917 2.537 3.284 0.074 20 0 "[ . 1 . 2]" 1
312 1 31 PHE H 1 31 PHE HB3 . . 3.210 2.301 2.196 2.578 . 0 0 "[ . 1 . 2]" 1
313 1 31 PHE H 1 32 PRO HA . . 4.380 4.920 4.726 5.008 0.628 12 17 "[* *.*****-+********]" 1
314 1 31 PHE H 1 71 ILE MD . . 2.910 3.426 3.123 3.739 0.829 20 9 "[ -** * 1* * * *+]" 1
315 1 31 PHE H 1 71 ILE MG . . 4.220 3.932 3.594 4.578 0.358 20 0 "[ . 1 . 2]" 1
316 1 31 PHE HA 1 31 PHE HB2 . . 2.400 2.358 2.228 2.381 . 0 0 "[ . 1 . 2]" 1
317 1 31 PHE HA 1 31 PHE QB . . 2.620 2.277 2.168 2.297 . 0 0 "[ . 1 . 2]" 1
318 1 31 PHE HA 1 31 PHE QD . . 3.690 3.153 3.063 3.367 . 0 0 "[ . 1 . 2]" 1
319 1 31 PHE HA 1 32 PRO HA . . 2.990 2.201 2.079 2.290 . 0 0 "[ . 1 . 2]" 1
320 1 31 PHE QB 1 71 ILE MD . . 5.700 2.145 2.070 2.289 . 0 0 "[ . 1 . 2]" 1
321 1 31 PHE QB 1 71 ILE MG . . 5.080 2.493 2.350 2.624 . 0 0 "[ . 1 . 2]" 1
322 1 31 PHE HB2 1 31 PHE QD . . 3.270 2.437 2.354 2.480 . 0 0 "[ . 1 . 2]" 1
323 1 31 PHE HB2 1 71 ILE MD . . 3.630 3.537 2.841 3.725 0.095 3 0 "[ . 1 . 2]" 1
324 1 31 PHE HB2 1 71 ILE MG . . 3.750 2.872 2.461 3.335 . 0 0 "[ . 1 . 2]" 1
325 1 31 PHE HB3 1 31 PHE QD . . 3.280 2.465 2.409 2.599 . 0 0 "[ . 1 . 2]" 1
326 1 31 PHE HB3 1 71 ILE MG . . 3.930 2.761 2.532 3.137 . 0 0 "[ . 1 . 2]" 1
327 1 31 PHE QD 1 32 PRO HA . . 3.420 3.004 2.832 3.253 . 0 0 "[ . 1 . 2]" 1
328 1 31 PHE QD 1 32 PRO HD2 . . 5.500 4.255 4.039 4.508 . 0 0 "[ . 1 . 2]" 1
329 1 31 PHE QD 1 32 PRO HD3 . . 3.180 3.299 2.844 3.500 0.320 12 0 "[ . 1 . 2]" 1
330 1 31 PHE QD 1 52 ALA MB . . 4.410 4.251 3.869 4.457 0.047 20 0 "[ . 1 . 2]" 1
331 1 31 PHE QD 1 53 VAL HA . . 5.820 4.789 4.555 4.962 . 0 0 "[ . 1 . 2]" 1
332 1 31 PHE QD 1 53 VAL QG . . 9.650 3.366 3.229 3.498 . 0 0 "[ . 1 . 2]" 1
333 1 31 PHE QD 1 56 VAL MG1 . . 4.220 3.886 3.687 4.063 . 0 0 "[ . 1 . 2]" 1
334 1 31 PHE QD 1 56 VAL MG2 . . 4.300 4.295 3.951 4.487 0.187 17 0 "[ . 1 . 2]" 1
335 1 31 PHE QD 1 71 ILE MD . . 3.470 2.321 2.181 3.214 . 0 0 "[ . 1 . 2]" 1
336 1 31 PHE QD 1 71 ILE HG12 . . 3.920 2.678 2.566 2.789 . 0 0 "[ . 1 . 2]" 1
337 1 31 PHE QD 1 71 ILE HG13 . . 3.860 3.626 3.437 3.972 0.112 2 0 "[ . 1 . 2]" 1
338 1 31 PHE QD 1 71 ILE MG . . 3.780 3.545 2.957 3.706 . 0 0 "[ . 1 . 2]" 1
339 1 31 PHE QE 1 32 PRO HA . . 4.340 4.106 3.810 4.336 . 0 0 "[ . 1 . 2]" 1
340 1 31 PHE QE 1 52 ALA MB . . 3.270 2.330 1.973 2.599 . 0 0 "[ . 1 . 2]" 1
341 1 31 PHE QE 1 53 VAL HA . . 2.910 2.646 2.194 2.827 . 0 0 "[ . 1 . 2]" 1
342 1 31 PHE QE 1 53 VAL QG . . 3.190 2.518 2.227 2.621 . 0 0 "[ . 1 . 2]" 1
343 1 31 PHE QE 1 56 VAL HB . . 3.950 2.833 2.670 2.977 . 0 0 "[ . 1 . 2]" 1
344 1 31 PHE QE 1 56 VAL MG1 . . 3.250 2.669 2.348 3.276 0.026 2 0 "[ . 1 . 2]" 1
345 1 31 PHE QE 1 56 VAL QG . . 7.520 2.424 2.247 2.583 . 0 0 "[ . 1 . 2]" 1
346 1 31 PHE QE 1 56 VAL MG2 . . 3.410 2.835 2.682 3.095 . 0 0 "[ . 1 . 2]" 1
347 1 31 PHE QE 1 71 ILE MD . . 8.620 3.622 3.407 4.445 . 0 0 "[ . 1 . 2]" 1
348 1 31 PHE QE 1 71 ILE MG . . 8.650 4.611 4.400 4.807 . 0 0 "[ . 1 . 2]" 1
349 1 31 PHE QE 1 74 VAL MG2 . . 8.650 3.489 3.105 3.848 . 0 0 "[ . 1 . 2]" 1
350 1 31 PHE HZ 1 52 ALA MB . . 3.460 2.450 2.289 2.564 . 0 0 "[ . 1 . 2]" 1
351 1 31 PHE HZ 1 53 VAL H . . 4.760 3.087 2.934 3.357 . 0 0 "[ . 1 . 2]" 1
352 1 31 PHE HZ 1 53 VAL HA . . 3.210 2.533 2.188 2.777 . 0 0 "[ . 1 . 2]" 1
353 1 31 PHE HZ 1 53 VAL QG . . 3.260 2.635 2.440 3.311 0.051 2 0 "[ . 1 . 2]" 1
354 1 31 PHE HZ 1 56 VAL H . . 4.780 4.279 3.798 4.467 . 0 0 "[ . 1 . 2]" 1
355 1 31 PHE HZ 1 56 VAL HB . . 3.700 3.380 2.890 3.686 . 0 0 "[ . 1 . 2]" 1
356 1 31 PHE HZ 1 56 VAL MG1 . . 3.900 3.969 3.596 4.262 0.362 16 0 "[ . 1 . 2]" 1
357 1 31 PHE HZ 1 56 VAL QG . . 6.230 2.287 2.036 2.485 . 0 0 "[ . 1 . 2]" 1
358 1 31 PHE HZ 1 56 VAL MG2 . . 3.480 2.303 2.043 2.534 . 0 0 "[ . 1 . 2]" 1
359 1 32 PRO QB 1 45 TYR QD . . 8.120 2.576 2.076 4.057 . 0 0 "[ . 1 . 2]" 1
360 1 32 PRO QB 1 45 TYR QE . . 6.280 2.654 2.142 4.213 . 0 0 "[ . 1 . 2]" 1
361 1 32 PRO HB2 1 45 TYR QE . . 3.730 2.690 2.153 4.440 0.710 2 1 "[ + . 1 . 2]" 1
362 1 32 PRO QD 1 53 VAL HB . . 5.230 4.737 4.513 4.976 . 0 0 "[ . 1 . 2]" 1
363 1 32 PRO QD 1 53 VAL QG . . 7.080 2.111 2.012 2.360 . 0 0 "[ . 1 . 2]" 1
364 1 32 PRO HD2 1 53 VAL QG . . 3.520 3.410 3.228 3.554 0.034 13 0 "[ . 1 . 2]" 1
365 1 32 PRO HD3 1 53 VAL QG . . 3.200 2.131 2.032 2.396 . 0 0 "[ . 1 . 2]" 1
366 1 32 PRO QG 1 45 TYR QE . . 3.860 2.654 2.096 3.000 . 0 0 "[ . 1 . 2]" 1
367 1 33 ARG HA 1 34 PRO HD2 . . 2.560 2.226 2.085 2.435 . 0 0 "[ . 1 . 2]" 1
368 1 33 ARG HA 1 34 PRO QD . . 2.320 2.056 1.995 2.169 . 0 0 "[ . 1 . 2]" 1
369 1 33 ARG HA 1 34 PRO HD3 . . 2.400 2.441 2.195 2.676 0.276 20 0 "[ . 1 . 2]" 1
370 1 34 PRO HA 1 35 LEU H . . 3.050 2.185 2.085 2.263 . 0 0 "[ . 1 . 2]" 1
371 1 34 PRO HA 1 45 TYR QD . . 3.790 3.314 2.441 3.785 . 0 0 "[ . 1 . 2]" 1
372 1 34 PRO HA 1 45 TYR QE . . 4.310 2.999 2.348 3.897 . 0 0 "[ . 1 . 2]" 1
373 1 34 PRO QD 1 45 TYR QE . . 7.770 2.968 2.201 3.780 . 0 0 "[ . 1 . 2]" 1
374 1 34 PRO HD3 1 45 TYR QE . . 4.180 3.034 2.218 3.948 . 0 0 "[ . 1 . 2]" 1
375 1 34 PRO QG 1 45 TYR QE . . 4.630 4.057 3.298 4.820 0.190 13 0 "[ . 1 . 2]" 1
376 1 35 LEU H 1 35 LEU HB2 . . 3.330 3.056 2.271 3.674 0.344 10 0 "[ . 1 . 2]" 1
377 1 35 LEU H 1 35 LEU QB . . 3.070 2.743 2.246 3.062 . 0 0 "[ . 1 . 2]" 1
378 1 35 LEU H 1 35 LEU HB3 . . 3.330 3.428 2.855 3.684 0.354 2 0 "[ . 1 . 2]" 1
379 1 35 LEU H 1 35 LEU MD1 . . 4.470 3.680 2.185 4.217 . 0 0 "[ . 1 . 2]" 1
380 1 35 LEU H 1 35 LEU MD2 . . 3.670 2.529 1.859 4.098 0.428 1 0 "[ . 1 . 2]" 1
381 1 35 LEU H 1 35 LEU HG . . 3.590 2.378 2.077 3.895 0.305 1 0 "[ . 1 . 2]" 1
382 1 35 LEU H 1 44 VAL H . . 3.490 3.841 3.437 4.254 0.764 16 8 "[ - **1 ***.+ *]" 1
383 1 35 LEU H 1 44 VAL MG1 . . 6.530 5.427 4.380 6.285 . 0 0 "[ . 1 . 2]" 1
384 1 35 LEU HA 1 35 LEU MD2 . . 3.860 2.898 2.101 3.709 . 0 0 "[ . 1 . 2]" 1
385 1 35 LEU HA 1 36 ARG H . . 3.110 2.488 2.130 3.559 0.449 9 0 "[ . 1 . 2]" 1
386 1 35 LEU QB 1 36 ARG H . . 3.960 2.527 2.066 2.876 . 0 0 "[ . 1 . 2]" 1
387 1 35 LEU HB2 1 36 ARG H . . 3.420 2.970 2.147 4.149 0.729 1 2 "[+ . 1 - . 2]" 1
388 1 35 LEU QD 1 45 TYR QD . . 10.240 3.536 2.584 4.306 . 0 0 "[ . 1 . 2]" 1
389 1 35 LEU QD 1 46 SER HA . . 5.250 3.447 3.010 3.853 . 0 0 "[ . 1 . 2]" 1
390 1 35 LEU QD 1 46 SER QB . . 7.800 2.543 2.023 3.176 . 0 0 "[ . 1 . 2]" 1
391 1 35 LEU MD1 1 46 SER H . . 4.630 3.819 2.416 4.663 0.033 3 0 "[ . 1 . 2]" 1
392 1 35 LEU MD1 1 46 SER HA . . 3.980 3.880 3.128 4.524 0.544 5 1 "[ + 1 . 2]" 1
393 1 35 LEU MD2 1 45 TYR QD . . 4.400 3.755 2.593 4.992 0.592 9 2 "[- . +1 . 2]" 1
394 1 35 LEU MD2 1 46 SER H . . 4.170 2.747 2.338 3.558 . 0 0 "[ . 1 . 2]" 1
395 1 35 LEU MD2 1 46 SER HA . . 4.090 4.004 3.494 4.259 0.169 20 0 "[ . 1 . 2]" 1
396 1 36 ARG HA 1 36 ARG QD . . 4.700 3.801 2.437 4.556 . 0 0 "[ . 1 . 2]" 1
397 1 36 ARG HA 1 37 SER H . . 2.900 2.323 2.125 2.519 . 0 0 "[ . 1 . 2]" 1
398 1 37 SER H 1 37 SER QB . . 3.690 2.811 2.083 3.311 . 0 0 "[ . 1 . 2]" 1
399 1 37 SER HA 1 38 GLU H . . 2.960 2.624 2.420 2.904 . 0 0 "[ . 1 . 2]" 1
400 1 37 SER QB 1 38 GLU H . . 2.400 2.121 1.843 2.368 . 0 0 "[ . 1 . 2]" 1
401 1 38 GLU H 1 38 GLU HA . . 2.770 2.878 2.815 2.928 0.158 4 0 "[ . 1 . 2]" 1
402 1 38 GLU H 1 38 GLU HB2 . . 3.020 2.420 2.051 3.597 0.577 8 3 "[ * + 1 . - 2]" 1
403 1 38 GLU H 1 38 GLU QB . . 2.730 2.179 2.007 2.886 0.156 5 0 "[ . 1 . 2]" 1
404 1 38 GLU H 1 38 GLU HB3 . . 3.020 2.918 2.225 3.130 0.110 3 0 "[ . 1 . 2]" 1
405 1 38 GLU H 1 38 GLU QG . . 3.370 3.425 1.741 3.826 0.456 11 0 "[ . 1 . 2]" 1
406 1 38 GLU HA 1 38 GLU QG . . 3.590 2.424 2.070 3.568 . 0 0 "[ . 1 . 2]" 1
407 1 38 GLU HA 1 39 GLY H . . 3.730 2.663 2.334 3.641 . 0 0 "[ . 1 . 2]" 1
408 1 38 GLU QB 1 39 GLY H . . 3.150 2.696 2.244 3.239 0.089 13 0 "[ . 1 . 2]" 1
409 1 38 GLU HB2 1 39 GLY H . . 3.700 3.660 2.548 4.115 0.415 13 0 "[ . 1 . 2]" 1
410 1 38 GLU HB3 1 39 GLY H . . 3.700 2.978 2.264 4.061 0.361 6 0 "[ . 1 . 2]" 1
411 1 38 GLU QG 1 39 GLY H . . 3.030 2.274 1.807 3.216 0.186 4 0 "[ . 1 . 2]" 1
412 1 39 GLY HA2 1 40 ASN H . . 4.200 2.908 2.154 3.618 . 0 0 "[ . 1 . 2]" 1
413 1 39 GLY HA3 1 40 ASN H . . 3.600 2.878 2.230 3.525 . 0 0 "[ . 1 . 2]" 1
414 1 40 ASN H 1 40 ASN HA . . 2.950 2.915 2.783 2.995 0.045 20 0 "[ . 1 . 2]" 1
415 1 40 ASN H 1 40 ASN QB . . 3.510 2.460 2.247 2.801 . 0 0 "[ . 1 . 2]" 1
416 1 40 ASN H 1 41 ASN H . . 3.210 2.683 2.153 2.961 . 0 0 "[ . 1 . 2]" 1
417 1 40 ASN QB 1 40 ASN HD22 . . 3.650 3.278 3.227 3.330 . 0 0 "[ . 1 . 2]" 1
418 1 40 ASN QB 1 41 ASN H . . 4.240 2.641 2.062 3.732 . 0 0 "[ . 1 . 2]" 1
419 1 40 ASN QB 1 42 TYR QD . . 4.750 5.187 4.634 5.646 0.896 11 10 "[ ** ***+- *.** 2]" 1
420 1 40 ASN QB 1 42 TYR QE . . 4.350 4.663 3.419 5.065 0.715 20 5 "[ .* - 1* .* +]" 1
421 1 41 ASN H 1 41 ASN HA . . 2.660 2.889 2.776 2.944 0.284 17 0 "[ . 1 . 2]" 1
422 1 41 ASN H 1 41 ASN HB2 . . 3.800 2.562 2.228 3.043 . 0 0 "[ . 1 . 2]" 1
423 1 41 ASN H 1 41 ASN QB . . 3.520 2.345 2.163 2.871 . 0 0 "[ . 1 . 2]" 1
424 1 41 ASN H 1 41 ASN HB3 . . 3.800 2.807 2.384 3.552 . 0 0 "[ . 1 . 2]" 1
425 1 41 ASN H 1 42 TYR H . . 4.140 3.626 2.443 4.589 0.449 12 0 "[ . 1 . 2]" 1
426 1 41 ASN HA 1 42 TYR H . . 4.390 2.715 2.094 3.494 . 0 0 "[ . 1 . 2]" 1
427 1 41 ASN QB 1 41 ASN QD . . 2.830 2.445 2.212 2.739 . 0 0 "[ . 1 . 2]" 1
428 1 41 ASN HB2 1 41 ASN HD22 . . 4.150 3.901 3.499 4.096 . 0 0 "[ . 1 . 2]" 1
429 1 41 ASN HB3 1 41 ASN HD22 . . 4.150 3.755 3.523 4.082 . 0 0 "[ . 1 . 2]" 1
430 1 41 ASN QD 1 42 TYR HB2 . . 6.370 4.625 4.091 5.253 . 0 0 "[ . 1 . 2]" 1
431 1 41 ASN HD21 1 42 TYR HB2 . . 4.860 4.853 4.296 5.420 0.560 18 1 "[ . 1 . + 2]" 1
432 1 42 TYR H 1 42 TYR HB2 . . 3.520 2.991 2.791 3.212 . 0 0 "[ . 1 . 2]" 1
433 1 42 TYR HA 1 42 TYR HB3 . . 2.400 2.312 2.244 2.380 . 0 0 "[ . 1 . 2]" 1
434 1 42 TYR HA 1 43 ARG H . . 2.400 2.380 2.211 2.504 0.104 8 0 "[ . 1 . 2]" 1
435 1 42 TYR HB2 1 42 TYR QD . . 3.410 2.336 2.281 2.461 . 0 0 "[ . 1 . 2]" 1
436 1 42 TYR HB2 1 42 TYR QE . . 4.750 4.434 4.414 4.473 . 0 0 "[ . 1 . 2]" 1
437 1 42 TYR HB2 1 43 ARG H . . 3.020 3.228 2.896 3.581 0.561 13 1 "[ . 1 + . 2]" 1
438 1 42 TYR HB3 1 42 TYR QD . . 3.300 2.600 2.408 2.739 . 0 0 "[ . 1 . 2]" 1
439 1 42 TYR HB3 1 43 ARG H . . 2.900 2.726 2.247 3.167 0.267 13 0 "[ . 1 . 2]" 1
440 1 42 TYR QD 1 44 VAL MG1 . . 8.360 4.931 3.953 5.968 . 0 0 "[ . 1 . 2]" 1
441 1 42 TYR QE 1 44 VAL MG1 . . 7.450 6.550 5.596 7.512 0.062 13 0 "[ . 1 . 2]" 1
442 1 42 TYR QE 1 44 VAL MG2 . . 8.660 7.898 5.718 8.834 0.174 19 0 "[ . 1 . 2]" 1
443 1 43 ARG HA 1 44 VAL H . . 2.830 2.220 2.045 2.641 . 0 0 "[ . 1 . 2]" 1
444 1 44 VAL H 1 44 VAL HB . . 3.700 3.664 2.633 3.878 0.178 11 0 "[ . 1 . 2]" 1
445 1 44 VAL H 1 44 VAL MG1 . . 3.420 3.028 2.351 3.884 0.464 4 0 "[ . 1 . 2]" 1
446 1 44 VAL H 1 44 VAL MG2 . . 3.820 2.234 1.908 3.677 . 0 0 "[ . 1 . 2]" 1
447 1 44 VAL H 1 45 TYR H . . 4.670 4.485 4.323 4.667 . 0 0 "[ . 1 . 2]" 1
448 1 44 VAL HA 1 44 VAL MG2 . . 3.630 3.199 2.489 3.280 . 0 0 "[ . 1 . 2]" 1
449 1 44 VAL HA 1 45 TYR H . . 5.500 2.297 2.098 2.594 . 0 0 "[ . 1 . 2]" 1
450 1 44 VAL HB 1 45 TYR H . . 3.330 2.631 1.928 3.495 0.165 4 0 "[ . 1 . 2]" 1
451 1 44 VAL HB 1 45 TYR QD . . 7.450 5.040 4.039 5.642 . 0 0 "[ . 1 . 2]" 1
452 1 44 VAL MG1 1 45 TYR H . . 4.200 3.413 1.906 3.994 . 0 0 "[ . 1 . 2]" 1
453 1 44 VAL MG2 1 45 TYR H . . 5.500 3.682 1.962 4.147 . 0 0 "[ . 1 . 2]" 1
454 1 45 TYR H 1 45 TYR HA . . 2.710 2.977 2.944 2.998 0.288 8 0 "[ . 1 . 2]" 1
455 1 45 TYR H 1 45 TYR HB2 . . 3.330 2.563 2.397 2.860 . 0 0 "[ . 1 . 2]" 1
456 1 45 TYR H 1 45 TYR HB3 . . 3.450 3.719 3.572 3.923 0.473 20 0 "[ . 1 . 2]" 1
457 1 45 TYR H 1 45 TYR QD . . 3.530 3.188 2.505 3.774 0.244 2 0 "[ . 1 . 2]" 1
458 1 45 TYR HA 1 45 TYR QD . . 3.270 2.659 2.207 3.073 . 0 0 "[ . 1 . 2]" 1
459 1 45 TYR HA 1 46 SER H . . 3.020 2.327 2.151 2.678 . 0 0 "[ . 1 . 2]" 1
460 1 45 TYR HB2 1 45 TYR QD . . 2.560 2.417 2.299 2.578 0.018 8 0 "[ . 1 . 2]" 1
461 1 45 TYR HB2 1 46 SER H . . 3.450 3.770 3.377 4.013 0.563 11 3 "[- .* 1+ . 2]" 1
462 1 45 TYR HB2 1 50 VAL MG2 . . 5.970 3.337 2.551 4.008 . 0 0 "[ . 1 . 2]" 1
463 1 45 TYR HB3 1 45 TYR QD . . 3.320 2.487 2.321 2.670 . 0 0 "[ . 1 . 2]" 1
464 1 45 TYR HB3 1 46 SER H . . 3.700 2.564 2.177 2.890 . 0 0 "[ . 1 . 2]" 1
465 1 45 TYR QD 1 46 SER H . . 4.860 3.524 3.168 3.917 . 0 0 "[ . 1 . 2]" 1
466 1 45 TYR QD 1 48 GLU QG . . 8.490 6.441 5.820 7.011 . 0 0 "[ . 1 . 2]" 1
467 1 45 TYR QD 1 49 GLU QB . . 4.040 3.320 2.624 4.612 0.572 13 1 "[ . 1 + . 2]" 1
468 1 45 TYR QD 1 49 GLU QG . . 3.240 3.054 2.137 3.591 0.351 20 0 "[ . 1 . 2]" 1
469 1 46 SER H 1 46 SER HB2 . . 3.490 2.961 2.322 3.730 0.240 8 0 "[ . 1 . 2]" 1
470 1 46 SER H 1 46 SER HB3 . . 3.490 3.031 2.462 3.726 0.236 15 0 "[ . 1 . 2]" 1
471 1 46 SER H 1 48 GLU QG . . 5.140 4.235 3.820 4.816 . 0 0 "[ . 1 . 2]" 1
472 1 46 SER H 1 49 GLU QG . . 6.220 3.331 2.011 4.146 . 0 0 "[ . 1 . 2]" 1
473 1 46 SER HA 1 47 ARG H . . 2.870 2.324 2.189 2.408 . 0 0 "[ . 1 . 2]" 1
474 1 46 SER HA 1 48 GLU H . . 4.290 4.324 4.074 4.447 0.157 2 0 "[ . 1 . 2]" 1
475 1 46 SER QB 1 47 ARG H . . 3.440 2.786 2.328 3.360 . 0 0 "[ . 1 . 2]" 1
476 1 46 SER QB 1 48 GLU H . . 3.810 2.889 2.473 3.418 . 0 0 "[ . 1 . 2]" 1
477 1 46 SER HB2 1 47 ARG H . . 3.730 3.408 2.415 3.938 0.208 7 0 "[ . 1 . 2]" 1
478 1 46 SER HB2 1 48 GLU H . . 4.420 3.644 2.587 4.769 0.349 7 0 "[ . 1 . 2]" 1
479 1 46 SER HB3 1 47 ARG H . . 3.730 3.285 2.354 3.927 0.197 8 0 "[ . 1 . 2]" 1
480 1 46 SER HB3 1 48 GLU H . . 4.080 3.519 2.565 4.745 0.665 10 4 "[ * +* - . 2]" 1
481 1 47 ARG H 1 47 ARG QB . . 3.220 2.219 2.023 2.760 . 0 0 "[ . 1 . 2]" 1
482 1 47 ARG H 1 47 ARG QG . . 4.000 3.737 2.463 4.119 0.119 20 0 "[ . 1 . 2]" 1
483 1 47 ARG H 1 48 GLU H . . 3.110 2.717 2.563 2.891 . 0 0 "[ . 1 . 2]" 1
484 1 47 ARG HA 1 47 ARG QD . . 3.330 2.827 2.177 3.636 0.306 13 0 "[ . 1 . 2]" 1
485 1 47 ARG HA 1 48 GLU H . . 4.670 3.516 3.449 3.556 . 0 0 "[ . 1 . 2]" 1
486 1 47 ARG HA 1 50 VAL H . . 5.500 3.356 3.092 3.521 . 0 0 "[ . 1 . 2]" 1
487 1 47 ARG HA 1 50 VAL MG2 . . 4.480 3.250 2.841 3.500 . 0 0 "[ . 1 . 2]" 1
488 1 47 ARG QB 1 48 GLU H . . 3.620 2.852 2.596 3.446 . 0 0 "[ . 1 . 2]" 1
489 1 47 ARG QG 1 48 GLU H . . 4.630 4.048 2.161 4.725 0.095 8 0 "[ . 1 . 2]" 1
490 1 48 GLU H 1 48 GLU HB2 . . 3.520 3.581 3.495 3.657 0.137 6 0 "[ . 1 . 2]" 1
491 1 48 GLU H 1 48 GLU HB3 . . 3.500 2.783 2.666 2.935 . 0 0 "[ . 1 . 2]" 1
492 1 48 GLU H 1 48 GLU HG2 . . 2.400 1.969 1.785 2.186 . 0 0 "[ . 1 . 2]" 1
493 1 48 GLU H 1 48 GLU HG3 . . 2.400 2.606 2.007 3.065 0.665 8 4 "[* .* + 1 . - 2]" 1
494 1 48 GLU H 1 49 GLU H . . 3.450 2.863 2.606 3.047 . 0 0 "[ . 1 . 2]" 1
495 1 48 GLU HA 1 49 GLU H . . 3.470 3.617 3.567 3.681 0.211 4 0 "[ . 1 . 2]" 1
496 1 48 GLU QG 1 49 GLU H . . 5.760 1.923 1.704 2.379 . 0 0 "[ . 1 . 2]" 1
497 1 48 GLU HG2 1 49 GLU H . . 3.350 3.215 2.933 3.600 0.250 11 0 "[ . 1 . 2]" 1
498 1 48 GLU HG3 1 49 GLU H . . 2.400 1.947 1.709 2.481 0.081 6 0 "[ . 1 . 2]" 1
499 1 49 GLU H 1 49 GLU HA . . 2.800 2.880 2.821 2.946 0.146 3 0 "[ . 1 . 2]" 1
500 1 49 GLU H 1 49 GLU QG . . 3.580 2.878 2.101 4.038 0.458 3 0 "[ . 1 . 2]" 1
501 1 49 GLU H 1 50 VAL H . . 2.490 2.715 2.410 2.933 0.443 4 0 "[ . 1 . 2]" 1
502 1 49 GLU HA 1 52 ALA H . . 3.890 3.631 3.245 3.868 . 0 0 "[ . 1 . 2]" 1
503 1 49 GLU HA 1 52 ALA MB . . 4.730 2.794 2.462 3.500 . 0 0 "[ . 1 . 2]" 1
504 1 49 GLU QG 1 50 VAL H . . 6.380 4.019 2.268 4.499 . 0 0 "[ . 1 . 2]" 1
505 1 50 VAL H 1 50 VAL HB . . 3.300 2.408 2.218 2.524 . 0 0 "[ . 1 . 2]" 1
506 1 50 VAL H 1 50 VAL MG1 . . 3.540 3.793 3.678 3.841 0.301 4 0 "[ . 1 . 2]" 1
507 1 50 VAL H 1 50 VAL MG2 . . 3.330 2.427 2.276 2.895 . 0 0 "[ . 1 . 2]" 1
508 1 50 VAL HA 1 50 VAL MG1 . . 3.300 2.577 2.463 2.841 . 0 0 "[ . 1 . 2]" 1
509 1 50 VAL HA 1 50 VAL MG2 . . 3.250 2.226 2.047 2.399 . 0 0 "[ . 1 . 2]" 1
510 1 50 VAL HA 1 53 VAL H . . 3.300 3.485 3.187 3.784 0.484 12 0 "[ . 1 . 2]" 1
511 1 50 VAL HA 1 53 VAL HB . . 3.250 2.361 2.150 2.698 . 0 0 "[ . 1 . 2]" 1
512 1 50 VAL HA 1 53 VAL QG . . 3.880 2.983 2.507 3.313 . 0 0 "[ . 1 . 2]" 1
513 1 50 VAL HA 1 54 ARG H . . 4.070 3.595 3.252 3.829 . 0 0 "[ . 1 . 2]" 1
514 1 50 VAL MG1 1 54 ARG H . . 4.490 3.751 3.397 4.083 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLU H 1 51 GLU HG2 . . 5.500 4.218 2.180 4.683 . 0 0 "[ . 1 . 2]" 1
516 1 51 GLU H 1 51 GLU QG . . 4.880 3.687 2.100 4.105 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLU H 1 51 GLU HG3 . . 5.500 4.180 2.147 4.561 . 0 0 "[ . 1 . 2]" 1
518 1 51 GLU HA 1 52 ALA H . . 3.610 3.598 3.583 3.626 0.016 2 0 "[ . 1 . 2]" 1
519 1 51 GLU QB 1 52 ALA H . . 3.380 2.577 2.191 3.578 0.198 11 0 "[ . 1 . 2]" 1
520 1 51 GLU QG 1 52 ALA H . . 4.120 3.204 2.094 3.625 . 0 0 "[ . 1 . 2]" 1
521 1 51 GLU HG2 1 52 ALA H . . 3.900 3.886 2.552 4.496 0.596 17 2 "[ . 1 . + -2]" 1
522 1 51 GLU HG3 1 52 ALA H . . 4.190 3.530 2.104 4.242 0.052 14 0 "[ . 1 . 2]" 1
523 1 52 ALA H 1 52 ALA MB . . 3.190 2.218 2.195 2.254 . 0 0 "[ . 1 . 2]" 1
524 1 52 ALA H 1 53 VAL H . . 3.360 2.865 2.703 2.935 . 0 0 "[ . 1 . 2]" 1
525 1 52 ALA HA 1 53 VAL H . . 3.450 3.602 3.576 3.618 0.168 11 0 "[ . 1 . 2]" 1
526 1 52 ALA HA 1 55 ARG H . . 3.360 3.683 3.506 3.864 0.504 14 1 "[ . 1 +. 2]" 1
527 1 52 ALA MB 1 53 VAL H . . 2.400 2.362 2.277 2.461 0.061 2 0 "[ . 1 . 2]" 1
528 1 53 VAL H 1 53 VAL HB . . 2.770 2.460 2.363 2.607 . 0 0 "[ . 1 . 2]" 1
529 1 53 VAL H 1 53 VAL QG . . 2.590 2.188 1.988 2.292 . 0 0 "[ . 1 . 2]" 1
530 1 53 VAL HA 1 53 VAL QG . . 3.220 2.157 2.117 2.231 . 0 0 "[ . 1 . 2]" 1
531 1 53 VAL HA 1 56 VAL H . . 3.140 3.463 3.250 3.555 0.415 9 0 "[ . 1 . 2]" 1
532 1 53 VAL HA 1 56 VAL HB . . 3.540 2.360 2.142 2.492 . 0 0 "[ . 1 . 2]" 1
533 1 53 VAL HA 1 56 VAL MG1 . . 5.010 3.766 3.394 3.929 . 0 0 "[ . 1 . 2]" 1
534 1 53 VAL HA 1 56 VAL QG . . 4.000 2.883 2.674 3.246 . 0 0 "[ . 1 . 2]" 1
535 1 53 VAL HA 1 56 VAL MG2 . . 3.750 3.008 2.723 3.497 . 0 0 "[ . 1 . 2]" 1
536 1 53 VAL HA 1 57 ALA H . . 4.200 3.512 3.236 3.711 . 0 0 "[ . 1 . 2]" 1
537 1 53 VAL HB 1 54 ARG H . . 3.180 2.592 2.473 2.724 . 0 0 "[ . 1 . 2]" 1
538 1 54 ARG H 1 54 ARG HA . . 2.650 2.852 2.816 2.882 0.232 3 0 "[ . 1 . 2]" 1
539 1 54 ARG H 1 55 ARG H . . 2.770 2.779 2.649 2.857 0.087 2 0 "[ . 1 . 2]" 1
540 1 54 ARG HA 1 55 ARG H . . 3.620 3.563 3.517 3.597 . 0 0 "[ . 1 . 2]" 1
541 1 54 ARG HA 1 57 ALA H . . 4.070 3.809 3.683 4.128 0.058 2 0 "[ . 1 . 2]" 1
542 1 54 ARG QB 1 54 ARG HE . . 4.820 3.366 2.143 4.245 . 0 0 "[ . 1 . 2]" 1
543 1 54 ARG QB 1 55 ARG H . . 3.520 2.663 2.448 3.543 0.023 14 0 "[ . 1 . 2]" 1
544 1 55 ARG H 1 55 ARG QB . . 2.400 2.198 2.067 2.341 . 0 0 "[ . 1 . 2]" 1
545 1 55 ARG HA 1 58 ARG H . . 4.510 3.590 3.426 3.760 . 0 0 "[ . 1 . 2]" 1
546 1 55 ARG QB 1 56 VAL H . . 3.470 2.412 2.231 2.562 . 0 0 "[ . 1 . 2]" 1
547 1 56 VAL H 1 56 VAL HB . . 2.900 2.556 2.404 2.704 . 0 0 "[ . 1 . 2]" 1
548 1 56 VAL H 1 56 VAL MG1 . . 3.970 3.794 3.747 3.825 . 0 0 "[ . 1 . 2]" 1
549 1 56 VAL H 1 56 VAL QG . . 4.060 2.327 2.205 2.374 . 0 0 "[ . 1 . 2]" 1
550 1 56 VAL H 1 56 VAL MG2 . . 3.390 2.348 2.219 2.399 . 0 0 "[ . 1 . 2]" 1
551 1 56 VAL H 1 57 ALA H . . 3.360 3.018 2.898 3.119 . 0 0 "[ . 1 . 2]" 1
552 1 56 VAL H 1 70 ALA MB . . 4.720 4.198 4.029 4.405 . 0 0 "[ . 1 . 2]" 1
553 1 56 VAL HA 1 56 VAL HB . . 2.930 3.044 3.027 3.059 0.129 3 0 "[ . 1 . 2]" 1
554 1 56 VAL HA 1 56 VAL MG1 . . 3.420 2.433 2.313 2.555 . 0 0 "[ . 1 . 2]" 1
555 1 56 VAL HA 1 56 VAL MG2 . . 3.230 2.301 2.194 2.361 . 0 0 "[ . 1 . 2]" 1
556 1 56 VAL HA 1 57 ALA H . . 4.170 3.599 3.548 3.639 . 0 0 "[ . 1 . 2]" 1
557 1 56 VAL HA 1 59 LEU H . . 3.390 3.549 3.474 3.690 0.300 6 0 "[ . 1 . 2]" 1
558 1 56 VAL HA 1 59 LEU HB2 . . 3.090 2.475 2.296 2.793 . 0 0 "[ . 1 . 2]" 1
559 1 56 VAL HA 1 59 LEU QB . . 3.650 2.410 2.271 2.685 . 0 0 "[ . 1 . 2]" 1
560 1 56 VAL HA 1 59 LEU QD . . 3.520 3.535 2.861 3.867 0.347 5 0 "[ . 1 . 2]" 1
561 1 56 VAL HA 1 60 ILE H . . 3.760 3.952 3.770 4.037 0.277 18 0 "[ . 1 . 2]" 1
562 1 56 VAL HA 1 60 ILE MD . . 4.390 3.710 2.982 4.264 . 0 0 "[ . 1 . 2]" 1
563 1 56 VAL HA 1 70 ALA MB . . 3.210 2.624 2.540 2.723 . 0 0 "[ . 1 . 2]" 1
564 1 56 VAL HB 1 57 ALA H . . 3.140 2.534 2.322 2.755 . 0 0 "[ . 1 . 2]" 1
565 1 56 VAL HB 1 70 ALA MB . . 3.450 3.995 3.729 4.096 0.646 20 18 "[-* *** ************+]" 1
566 1 56 VAL QG 1 67 VAL HA . . 6.070 2.956 2.610 3.210 . 0 0 "[ . 1 . 2]" 1
567 1 56 VAL QG 1 67 VAL QG . . 9.120 3.470 3.077 3.667 . 0 0 "[ . 1 . 2]" 1
568 1 56 VAL QG 1 71 ILE H . . 5.480 3.202 2.966 3.289 . 0 0 "[ . 1 . 2]" 1
569 1 56 VAL QG 1 71 ILE HA . . 5.020 3.313 3.058 3.416 . 0 0 "[ . 1 . 2]" 1
570 1 56 VAL QG 1 71 ILE HG12 . . 4.610 3.153 3.001 3.299 . 0 0 "[ . 1 . 2]" 1
571 1 56 VAL QG 1 71 ILE MG . . 7.150 4.316 4.243 4.393 . 0 0 "[ . 1 . 2]" 1
572 1 56 VAL QG 1 74 VAL H . . 8.090 4.333 3.960 4.461 . 0 0 "[ . 1 . 2]" 1
573 1 56 VAL QG 1 74 VAL MG2 . . 8.400 4.016 3.304 4.294 . 0 0 "[ . 1 . 2]" 1
574 1 56 VAL MG1 1 57 ALA H . . 4.060 3.173 3.086 3.384 . 0 0 "[ . 1 . 2]" 1
575 1 56 VAL MG1 1 67 VAL HA . . 4.330 2.978 2.624 3.239 . 0 0 "[ . 1 . 2]" 1
576 1 56 VAL MG1 1 67 VAL QG . . 3.960 3.521 3.106 3.725 . 0 0 "[ . 1 . 2]" 1
577 1 56 VAL MG1 1 71 ILE H . . 4.080 3.565 3.218 3.670 . 0 0 "[ . 1 . 2]" 1
578 1 56 VAL MG1 1 71 ILE HA . . 4.350 4.321 3.894 4.440 0.090 20 0 "[ . 1 . 2]" 1
579 1 56 VAL MG1 1 71 ILE MD . . 4.070 3.309 3.198 3.480 . 0 0 "[ . 1 . 2]" 1
580 1 56 VAL MG1 1 71 ILE HG12 . . 3.330 3.516 3.336 3.668 0.338 12 0 "[ . 1 . 2]" 1
581 1 56 VAL MG1 1 71 ILE MG . . 7.560 4.912 4.772 4.988 . 0 0 "[ . 1 . 2]" 1
582 1 56 VAL MG2 1 57 ALA H . . 4.050 3.950 3.760 4.125 0.075 17 0 "[ . 1 . 2]" 1
583 1 56 VAL MG2 1 71 ILE H . . 4.260 3.628 3.473 3.787 . 0 0 "[ . 1 . 2]" 1
584 1 56 VAL MG2 1 71 ILE HA . . 3.340 3.442 3.197 3.561 0.221 6 0 "[ . 1 . 2]" 1
585 1 56 VAL MG2 1 71 ILE MD . . 4.220 4.280 4.140 4.602 0.382 17 0 "[ . 1 . 2]" 1
586 1 56 VAL MG2 1 71 ILE HG12 . . 4.230 3.574 3.366 3.974 . 0 0 "[ . 1 . 2]" 1
587 1 56 VAL MG2 1 71 ILE MG . . 7.560 4.784 4.688 4.903 . 0 0 "[ . 1 . 2]" 1
588 1 56 VAL MG2 1 74 VAL H . . 4.660 4.436 4.036 4.566 . 0 0 "[ . 1 . 2]" 1
589 1 56 VAL MG2 1 74 VAL MG1 . . 3.530 3.190 2.475 3.472 . 0 0 "[ . 1 . 2]" 1
590 1 57 ALA H 1 57 ALA MB . . 3.200 2.163 2.123 2.190 . 0 0 "[ . 1 . 2]" 1
591 1 57 ALA H 1 58 ARG H . . 3.400 2.930 2.843 2.984 . 0 0 "[ . 1 . 2]" 1
592 1 57 ALA MB 1 58 ARG H . . 3.420 2.585 2.396 2.921 . 0 0 "[ . 1 . 2]" 1
593 1 58 ARG H 1 58 ARG HA . . 2.870 2.920 2.895 2.966 0.096 8 0 "[ . 1 . 2]" 1
594 1 58 ARG H 1 58 ARG QB . . 3.060 2.250 2.136 2.336 . 0 0 "[ . 1 . 2]" 1
595 1 58 ARG H 1 59 LEU H . . 2.960 2.600 2.441 2.765 . 0 0 "[ . 1 . 2]" 1
596 1 58 ARG HA 1 61 GLN H . . 5.500 3.239 3.059 3.323 . 0 0 "[ . 1 . 2]" 1
597 1 58 ARG HA 1 61 GLN QB . . 2.400 2.657 2.471 2.890 0.490 11 0 "[ . 1 . 2]" 1
598 1 58 ARG QB 1 58 ARG HE . . 3.600 2.878 2.501 3.610 0.010 9 0 "[ . 1 . 2]" 1
599 1 58 ARG QB 1 59 LEU H . . 5.500 2.710 2.477 3.043 . 0 0 "[ . 1 . 2]" 1
600 1 58 ARG HE 1 58 ARG QG . . 2.400 2.253 2.017 2.443 0.043 16 0 "[ . 1 . 2]" 1
601 1 59 LEU H 1 59 LEU HA . . 2.740 2.859 2.820 2.890 0.150 6 0 "[ . 1 . 2]" 1
602 1 59 LEU H 1 59 LEU HB2 . . 2.510 2.069 2.015 2.163 . 0 0 "[ . 1 . 2]" 1
603 1 59 LEU H 1 59 LEU HB3 . . 3.080 3.277 3.148 3.483 0.403 17 0 "[ . 1 . 2]" 1
604 1 59 LEU H 1 59 LEU QD . . 3.350 2.990 2.345 3.415 0.065 13 0 "[ . 1 . 2]" 1
605 1 59 LEU H 1 60 ILE H . . 3.140 2.772 2.672 2.895 . 0 0 "[ . 1 . 2]" 1
606 1 59 LEU HA 1 59 LEU QD . . 3.160 2.127 1.979 2.726 . 0 0 "[ . 1 . 2]" 1
607 1 59 LEU HA 1 62 GLU QG . . 3.960 2.404 2.085 4.005 0.045 7 0 "[ . 1 . 2]" 1
608 1 59 LEU QB 1 60 ILE H . . 4.300 2.701 2.584 2.867 . 0 0 "[ . 1 . 2]" 1
609 1 59 LEU HB2 1 60 ILE H . . 4.020 3.135 2.946 3.289 . 0 0 "[ . 1 . 2]" 1
610 1 59 LEU QD 1 60 ILE H . . 5.520 4.091 3.990 4.241 . 0 0 "[ . 1 . 2]" 1
611 1 60 ILE H 1 60 ILE HA . . 2.870 2.842 2.811 2.891 0.021 17 0 "[ . 1 . 2]" 1
612 1 60 ILE H 1 60 ILE HB . . 2.990 2.270 2.174 2.420 . 0 0 "[ . 1 . 2]" 1
613 1 60 ILE H 1 60 ILE MD . . 3.620 2.841 2.286 3.354 . 0 0 "[ . 1 . 2]" 1
614 1 60 ILE H 1 60 ILE MG . . 3.700 3.734 3.628 3.808 0.108 20 0 "[ . 1 . 2]" 1
615 1 60 ILE H 1 61 GLN H . . 3.330 2.871 2.761 2.950 . 0 0 "[ . 1 . 2]" 1
616 1 60 ILE HA 1 60 ILE MG . . 3.720 2.747 2.620 2.861 . 0 0 "[ . 1 . 2]" 1
617 1 60 ILE HA 1 61 GLN H . . 5.500 3.563 3.522 3.604 . 0 0 "[ . 1 . 2]" 1
618 1 60 ILE HA 1 62 GLU H . . 3.330 3.666 3.527 3.942 0.612 17 1 "[ . 1 . + 2]" 1
619 1 60 ILE HA 1 63 GLU H . . 2.960 3.235 3.085 3.508 0.548 17 1 "[ . 1 . + 2]" 1
620 1 60 ILE HB 1 61 GLN H . . 2.830 3.071 2.696 3.332 0.502 5 1 "[ + 1 . 2]" 1
621 1 60 ILE MD 1 61 GLN H . . 6.470 4.649 4.253 5.037 . 0 0 "[ . 1 . 2]" 1
622 1 60 ILE MD 1 67 VAL HA . . 3.380 2.222 2.152 2.357 . 0 0 "[ . 1 . 2]" 1
623 1 60 ILE MD 1 67 VAL QG . . 4.590 2.142 1.931 2.467 . 0 0 "[ . 1 . 2]" 1
624 1 60 ILE QG 1 61 GLN H . . 4.890 4.555 4.314 4.794 . 0 0 "[ . 1 . 2]" 1
625 1 60 ILE MG 1 61 GLN H . . 3.640 3.208 3.056 3.563 . 0 0 "[ . 1 . 2]" 1
626 1 61 GLN H 1 61 GLN QB . . 3.080 2.137 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
627 1 61 GLN H 1 61 GLN HG2 . . 3.610 3.373 2.766 4.253 0.643 1 1 "[+ . 1 . 2]" 1
628 1 61 GLN H 1 61 GLN HG3 . . 4.510 4.166 3.380 4.450 . 0 0 "[ . 1 . 2]" 1
629 1 61 GLN H 1 62 GLU H . . 3.300 2.802 2.620 2.893 . 0 0 "[ . 1 . 2]" 1
630 1 61 GLN HA 1 61 GLN HG2 . . 3.570 2.658 2.315 2.769 . 0 0 "[ . 1 . 2]" 1
631 1 61 GLN HA 1 61 GLN HG3 . . 3.700 3.577 2.665 3.666 . 0 0 "[ . 1 . 2]" 1
632 1 61 GLN HA 1 62 GLU H . . 3.550 3.484 3.454 3.512 . 0 0 "[ . 1 . 2]" 1
633 1 61 GLN QB 1 62 GLU H . . 3.140 3.305 3.118 3.374 0.234 18 0 "[ . 1 . 2]" 1
634 1 62 GLU H 1 62 GLU QB . . 3.170 2.574 2.265 2.714 . 0 0 "[ . 1 . 2]" 1
635 1 62 GLU H 1 62 GLU HG2 . . 3.670 2.894 1.987 3.295 . 0 0 "[ . 1 . 2]" 1
636 1 62 GLU H 1 62 GLU QG . . 3.190 2.316 1.976 3.123 . 0 0 "[ . 1 . 2]" 1
637 1 62 GLU H 1 62 GLU HG3 . . 3.630 2.700 2.203 4.217 0.587 7 1 "[ . + 1 . 2]" 1
638 1 62 GLU H 1 63 GLU H . . 3.020 2.434 2.331 2.730 . 0 0 "[ . 1 . 2]" 1
639 1 62 GLU HA 1 62 GLU QB . . 2.570 2.284 2.101 2.317 . 0 0 "[ . 1 . 2]" 1
640 1 62 GLU HA 1 62 GLU HG2 . . 3.530 2.745 2.483 3.831 0.301 7 0 "[ . 1 . 2]" 1
641 1 62 GLU HA 1 62 GLU QG . . 3.810 2.640 2.425 3.208 . 0 0 "[ . 1 . 2]" 1
642 1 62 GLU HA 1 62 GLU HG3 . . 3.860 3.563 3.304 4.003 0.143 4 0 "[ . 1 . 2]" 1
643 1 62 GLU HA 1 63 GLU H . . 3.860 3.524 3.436 3.559 . 0 0 "[ . 1 . 2]" 1
644 1 62 GLU QB 1 63 GLU H . . 2.650 2.848 2.198 3.307 0.657 7 2 "[ . + 1- . 2]" 1
645 1 63 GLU H 1 63 GLU QB . . 2.580 2.815 2.644 2.977 0.397 20 0 "[ . 1 . 2]" 1
646 1 63 GLU H 1 63 GLU QG . . 3.810 3.924 3.287 4.277 0.467 11 0 "[ . 1 . 2]" 1
647 1 63 GLU HA 1 63 GLU QG . . 3.160 2.285 2.109 2.700 . 0 0 "[ . 1 . 2]" 1
648 1 63 GLU QB 1 64 GLY H . . 3.280 2.716 2.087 3.068 . 0 0 "[ . 1 . 2]" 1
649 1 65 LEU H 1 65 LEU HB2 . . 3.110 2.713 2.592 3.006 . 0 0 "[ . 1 . 2]" 1
650 1 65 LEU H 1 65 LEU HB3 . . 3.110 2.200 2.097 2.275 . 0 0 "[ . 1 . 2]" 1
651 1 65 LEU H 1 65 LEU QD . . 3.610 3.752 3.705 3.779 0.169 15 0 "[ . 1 . 2]" 1
652 1 65 LEU HA 1 65 LEU QD . . 3.330 2.549 2.414 2.695 . 0 0 "[ . 1 . 2]" 1
653 1 65 LEU HA 1 65 LEU HG . . 3.700 3.520 3.441 3.582 . 0 0 "[ . 1 . 2]" 1
654 1 65 LEU HA 1 66 SER H . . 4.960 3.529 3.495 3.566 . 0 0 "[ . 1 . 2]" 1
655 1 65 LEU QB 1 66 SER H . . 3.410 2.810 2.667 3.054 . 0 0 "[ . 1 . 2]" 1
656 1 65 LEU HB2 1 66 SER H . . 3.800 4.115 4.032 4.241 0.441 3 0 "[ . 1 . 2]" 1
657 1 65 LEU HB3 1 66 SER H . . 3.800 2.861 2.706 3.132 . 0 0 "[ . 1 . 2]" 1
658 1 65 LEU QD 1 66 SER H . . 4.000 3.783 3.658 3.895 . 0 0 "[ . 1 . 2]" 1
659 1 65 LEU QD 1 68 SER QB . . 3.140 3.013 2.864 3.204 0.064 13 0 "[ . 1 . 2]" 1
660 1 65 LEU QD 1 69 GLU H . . 3.930 2.824 2.538 3.011 . 0 0 "[ . 1 . 2]" 1
661 1 65 LEU QD 1 70 ALA H . . 4.100 4.909 4.403 5.111 1.011 20 19 "[** ***-************+]" 1
662 1 65 LEU QD 1 73 GLN HE21 . . 5.320 5.112 4.578 5.638 0.318 8 0 "[ . 1 . 2]" 1
663 1 65 LEU QD 1 73 GLN QE . . 5.970 4.641 4.203 4.940 . 0 0 "[ . 1 . 2]" 1
664 1 65 LEU QD 1 73 GLN HE22 . . 5.320 5.350 4.721 5.808 0.488 20 0 "[ . 1 . 2]" 1
665 1 65 LEU HG 1 66 SER H . . 3.320 3.304 3.025 3.572 0.252 20 0 "[ . 1 . 2]" 1
666 1 66 SER H 1 66 SER HB2 . . 3.240 2.308 2.132 2.527 . 0 0 "[ . 1 . 2]" 1
667 1 66 SER H 1 66 SER QB . . 2.960 2.279 2.111 2.478 . 0 0 "[ . 1 . 2]" 1
668 1 66 SER H 1 66 SER HB3 . . 3.240 3.549 3.395 3.594 0.354 6 0 "[ . 1 . 2]" 1
669 1 66 SER H 1 69 GLU HB2 . . 3.720 3.996 3.759 4.508 0.788 9 4 "[ .* +- * . 2]" 1
670 1 66 SER H 1 69 GLU HB3 . . 4.780 4.565 4.021 4.962 0.182 5 0 "[ . 1 . 2]" 1
671 1 66 SER H 1 69 GLU QG . . 5.500 5.368 4.940 5.766 0.266 8 0 "[ . 1 . 2]" 1
672 1 66 SER H 1 70 ALA MB . . 4.330 4.953 4.780 5.104 0.774 5 17 "[** *+ ***-** *******]" 1
673 1 66 SER QB 1 67 VAL H . . 3.360 3.322 3.214 3.446 0.086 14 0 "[ . 1 . 2]" 1
674 1 66 SER HB2 1 67 VAL H . . 3.890 3.566 3.364 3.924 0.034 14 0 "[ . 1 . 2]" 1
675 1 66 SER HB3 1 67 VAL H . . 3.580 3.994 3.664 4.212 0.632 17 5 "[ *.* 1- .*+ 2]" 1
676 1 67 VAL H 1 67 VAL HA . . 2.930 2.882 2.859 2.912 . 0 0 "[ . 1 . 2]" 1
677 1 67 VAL H 1 67 VAL HB . . 3.390 2.373 2.237 2.490 . 0 0 "[ . 1 . 2]" 1
678 1 67 VAL H 1 67 VAL QG . . 3.220 2.481 2.323 2.626 . 0 0 "[ . 1 . 2]" 1
679 1 67 VAL H 1 68 SER H . . 3.390 2.939 2.823 3.086 . 0 0 "[ . 1 . 2]" 1
680 1 67 VAL H 1 69 GLU H . . 3.490 3.905 3.668 4.014 0.524 1 4 "[+ .* *- . 2]" 1
681 1 67 VAL HA 1 67 VAL HB . . 2.900 3.044 3.029 3.054 0.154 5 0 "[ . 1 . 2]" 1
682 1 67 VAL HA 1 67 VAL QG . . 2.870 2.117 2.042 2.163 . 0 0 "[ . 1 . 2]" 1
683 1 67 VAL HA 1 68 SER H . . 4.770 3.615 3.592 3.644 . 0 0 "[ . 1 . 2]" 1
684 1 67 VAL HA 1 70 ALA H . . 3.920 4.555 4.318 4.752 0.832 9 16 "[* - ****+**** ** ***]" 1
685 1 67 VAL HA 1 70 ALA MB . . 3.540 4.449 3.858 4.632 1.092 18 19 "[** *************-+**]" 1
686 1 67 VAL HB 1 68 SER H . . 3.300 2.435 2.112 2.611 . 0 0 "[ . 1 . 2]" 1
687 1 67 VAL MG1 1 67 VAL MG2 . . 2.990 2.039 1.962 2.059 . 0 0 "[ . 1 . 2]" 1
688 1 67 VAL QG 1 68 SER H . . 3.930 2.692 2.490 2.869 . 0 0 "[ . 1 . 2]" 1
689 1 67 VAL QG 1 68 SER HA . . 4.200 3.220 3.099 3.378 . 0 0 "[ . 1 . 2]" 1
690 1 67 VAL QG 1 71 ILE MD . . 3.220 2.672 2.180 3.007 . 0 0 "[ . 1 . 2]" 1
691 1 67 VAL QG 1 71 ILE HG12 . . 4.670 5.012 4.603 5.325 0.655 18 5 "[ . -** .* + 2]" 1
692 1 67 VAL QG 1 71 ILE HG13 . . 4.010 4.077 3.752 4.331 0.321 18 0 "[ . 1 . 2]" 1
693 1 68 SER H 1 68 SER QB . . 3.280 2.281 2.163 2.375 . 0 0 "[ . 1 . 2]" 1
694 1 68 SER H 1 69 GLU H . . 3.330 2.424 2.269 2.660 . 0 0 "[ . 1 . 2]" 1
695 1 68 SER HA 1 68 SER QB . . 2.730 2.495 2.394 2.570 . 0 0 "[ . 1 . 2]" 1
696 1 68 SER HA 1 71 ILE H . . 3.640 4.020 3.808 4.170 0.530 19 4 "[ -. * 1 .* +2]" 1
697 1 68 SER HA 1 71 ILE HB . . 3.240 2.902 2.637 3.108 . 0 0 "[ . 1 . 2]" 1
698 1 68 SER HA 1 71 ILE MD . . 3.970 3.411 3.046 3.700 . 0 0 "[ . 1 . 2]" 1
699 1 68 SER HA 1 72 ALA MB . . 4.080 4.230 3.836 4.372 0.292 17 0 "[ . 1 . 2]" 1
700 1 68 SER QB 1 69 GLU H . . 3.420 2.728 2.607 2.964 . 0 0 "[ . 1 . 2]" 1
701 1 69 GLU H 1 69 GLU HA . . 2.900 2.849 2.795 2.924 0.024 3 0 "[ . 1 . 2]" 1
702 1 69 GLU H 1 69 GLU HB2 . . 3.380 2.154 2.061 2.301 . 0 0 "[ . 1 . 2]" 1
703 1 69 GLU H 1 69 GLU QB . . 3.190 2.117 2.038 2.208 . 0 0 "[ . 1 . 2]" 1
704 1 69 GLU H 1 69 GLU HB3 . . 3.520 3.213 2.774 3.440 . 0 0 "[ . 1 . 2]" 1
705 1 69 GLU H 1 69 GLU QG . . 3.850 3.597 3.146 4.083 0.233 13 0 "[ . 1 . 2]" 1
706 1 69 GLU H 1 70 ALA H . . 3.180 2.998 2.725 3.095 . 0 0 "[ . 1 . 2]" 1
707 1 69 GLU H 1 70 ALA MB . . 4.020 4.729 4.360 4.830 0.810 5 19 "[** *+****-**********]" 1
708 1 69 GLU HA 1 70 ALA H . . 3.640 3.677 3.584 3.719 0.079 14 0 "[ . 1 . 2]" 1
709 1 69 GLU HB2 1 70 ALA H . . 3.330 3.337 2.914 3.761 0.431 13 0 "[ . 1 . 2]" 1
710 1 69 GLU HB3 1 70 ALA H . . 3.330 2.760 2.522 3.004 . 0 0 "[ . 1 . 2]" 1
711 1 69 GLU QG 1 72 ALA MB . . 4.170 3.977 3.603 4.434 0.264 7 0 "[ . 1 . 2]" 1
712 1 70 ALA H 1 70 ALA MB . . 3.160 2.275 2.187 2.310 . 0 0 "[ . 1 . 2]" 1
713 1 70 ALA H 1 71 ILE H . . 3.110 2.574 2.421 2.712 . 0 0 "[ . 1 . 2]" 1
714 1 70 ALA HA 1 71 ILE H . . 3.550 3.546 3.499 3.676 0.126 3 0 "[ . 1 . 2]" 1
715 1 70 ALA HA 1 73 GLN H . . 3.860 3.212 3.046 3.357 . 0 0 "[ . 1 . 2]" 1
716 1 70 ALA HA 1 73 GLN HB2 . . 3.520 2.055 1.986 2.150 . 0 0 "[ . 1 . 2]" 1
717 1 70 ALA HA 1 73 GLN HB3 . . 3.730 3.631 3.395 3.758 0.028 5 0 "[ . 1 . 2]" 1
718 1 70 ALA HA 1 73 GLN QG . . 5.050 3.462 3.252 3.773 . 0 0 "[ . 1 . 2]" 1
719 1 70 ALA HA 1 73 GLN HG3 . . 3.860 3.649 3.359 4.842 0.982 8 1 "[ . + 1 . 2]" 1
720 1 70 ALA MB 1 71 ILE H . . 3.250 2.953 2.479 3.059 . 0 0 "[ . 1 . 2]" 1
721 1 70 ALA MB 1 72 ALA H . . 5.440 4.970 4.644 5.091 . 0 0 "[ . 1 . 2]" 1
722 1 71 ILE H 1 71 ILE HB . . 2.710 2.463 2.445 2.516 . 0 0 "[ . 1 . 2]" 1
723 1 71 ILE H 1 71 ILE MD . . 4.010 3.736 3.579 3.842 . 0 0 "[ . 1 . 2]" 1
724 1 71 ILE H 1 71 ILE HG12 . . 3.980 3.675 3.562 3.788 . 0 0 "[ . 1 . 2]" 1
725 1 71 ILE H 1 71 ILE HG13 . . 2.540 2.454 2.408 2.503 . 0 0 "[ . 1 . 2]" 1
726 1 71 ILE H 1 71 ILE MG . . 4.100 3.818 3.805 3.841 . 0 0 "[ . 1 . 2]" 1
727 1 71 ILE H 1 72 ALA H . . 3.330 2.803 2.709 2.943 . 0 0 "[ . 1 . 2]" 1
728 1 71 ILE HA 1 71 ILE HB . . 3.050 3.038 3.014 3.046 . 0 0 "[ . 1 . 2]" 1
729 1 71 ILE HA 1 71 ILE MD . . 3.620 3.808 3.732 3.872 0.252 14 0 "[ . 1 . 2]" 1
730 1 71 ILE HA 1 71 ILE HG12 . . 3.210 2.381 2.312 2.517 . 0 0 "[ . 1 . 2]" 1
731 1 71 ILE HA 1 71 ILE HG13 . . 3.110 2.848 2.702 2.930 . 0 0 "[ . 1 . 2]" 1
732 1 71 ILE HA 1 71 ILE MG . . 3.390 2.482 2.432 2.550 . 0 0 "[ . 1 . 2]" 1
733 1 71 ILE HA 1 72 ALA H . . 3.350 3.661 3.633 3.675 0.325 15 0 "[ . 1 . 2]" 1
734 1 71 ILE HA 1 74 VAL H . . 3.730 3.593 3.497 3.761 0.031 17 0 "[ . 1 . 2]" 1
735 1 71 ILE HA 1 74 VAL HB . . 3.890 4.131 3.949 4.328 0.438 17 0 "[ . 1 . 2]" 1
736 1 71 ILE HA 1 74 VAL MG1 . . 3.990 2.172 2.098 2.291 . 0 0 "[ . 1 . 2]" 1
737 1 71 ILE HA 1 74 VAL MG2 . . 5.410 4.905 4.768 5.041 . 0 0 "[ . 1 . 2]" 1
738 1 71 ILE HA 1 75 LYS H . . 4.140 3.906 3.778 4.053 . 0 0 "[ . 1 . 2]" 1
739 1 71 ILE HB 1 71 ILE MD . . 2.400 2.467 2.350 2.529 0.129 16 0 "[ . 1 . 2]" 1
740 1 71 ILE HB 1 72 ALA H . . 3.050 2.603 2.497 2.678 . 0 0 "[ . 1 . 2]" 1
741 1 71 ILE MD 1 71 ILE HG12 . . 2.400 2.161 2.137 2.173 . 0 0 "[ . 1 . 2]" 1
742 1 71 ILE MD 1 71 ILE MG . . 3.080 2.091 2.039 2.133 . 0 0 "[ . 1 . 2]" 1
743 1 71 ILE HG12 1 71 ILE MG . . 3.740 2.397 2.260 2.546 . 0 0 "[ . 1 . 2]" 1
744 1 71 ILE MG 1 72 ALA H . . 4.320 3.135 2.950 3.214 . 0 0 "[ . 1 . 2]" 1
745 1 71 ILE MG 1 72 ALA HA . . 3.920 3.322 3.126 3.432 . 0 0 "[ . 1 . 2]" 1
746 1 71 ILE MG 1 74 VAL HB . . 6.000 5.684 5.537 5.910 . 0 0 "[ . 1 . 2]" 1
747 1 71 ILE MG 1 75 LYS HB2 . . 4.360 3.816 3.648 4.225 . 0 0 "[ . 1 . 2]" 1
748 1 71 ILE MG 1 75 LYS QD . . 3.170 3.188 3.008 3.390 0.220 9 0 "[ . 1 . 2]" 1
749 1 71 ILE MG 1 75 LYS HG2 . . 4.050 3.353 2.967 3.845 . 0 0 "[ . 1 . 2]" 1
750 1 71 ILE MG 1 75 LYS HG3 . . 3.700 2.384 2.262 2.514 . 0 0 "[ . 1 . 2]" 1
751 1 72 ALA H 1 72 ALA MB . . 3.090 2.221 2.206 2.254 . 0 0 "[ . 1 . 2]" 1
752 1 72 ALA H 1 73 GLN H . . 3.300 2.845 2.608 2.907 . 0 0 "[ . 1 . 2]" 1
753 1 72 ALA MB 1 73 GLN H . . 3.570 2.593 2.500 2.793 . 0 0 "[ . 1 . 2]" 1
754 1 73 GLN H 1 73 GLN HB2 . . 3.140 2.402 2.271 2.449 . 0 0 "[ . 1 . 2]" 1
755 1 73 GLN H 1 73 GLN HB3 . . 3.250 3.600 3.543 3.628 0.378 9 0 "[ . 1 . 2]" 1
756 1 73 GLN H 1 73 GLN HG2 . . 3.950 3.816 3.674 4.154 0.204 8 0 "[ . 1 . 2]" 1
757 1 73 GLN H 1 73 GLN QG . . 4.120 2.511 2.292 3.523 . 0 0 "[ . 1 . 2]" 1
758 1 73 GLN H 1 73 GLN HG3 . . 4.230 2.555 2.315 3.806 . 0 0 "[ . 1 . 2]" 1
759 1 73 GLN HA 1 73 GLN HG2 . . 4.180 2.651 2.451 3.562 . 0 0 "[ . 1 . 2]" 1
760 1 73 GLN HA 1 73 GLN HG3 . . 3.130 2.744 2.302 2.918 . 0 0 "[ . 1 . 2]" 1
761 1 73 GLN HB3 1 74 VAL H . . 4.880 3.179 2.969 3.296 . 0 0 "[ . 1 . 2]" 1
762 1 74 VAL H 1 74 VAL HB . . 2.900 2.343 2.282 2.441 . 0 0 "[ . 1 . 2]" 1
763 1 74 VAL H 1 74 VAL MG1 . . 3.460 2.582 2.462 2.684 . 0 0 "[ . 1 . 2]" 1
764 1 74 VAL H 1 74 VAL MG2 . . 4.010 3.740 3.682 3.804 . 0 0 "[ . 1 . 2]" 1
765 1 74 VAL H 1 75 LYS H . . 3.490 2.841 2.665 2.912 . 0 0 "[ . 1 . 2]" 1
766 1 74 VAL HA 1 74 VAL HB . . 2.960 2.559 2.517 2.596 . 0 0 "[ . 1 . 2]" 1
767 1 74 VAL HA 1 74 VAL MG1 . . 3.320 3.240 3.227 3.262 . 0 0 "[ . 1 . 2]" 1
768 1 74 VAL HA 1 74 VAL MG2 . . 3.300 2.215 2.176 2.295 . 0 0 "[ . 1 . 2]" 1
769 1 74 VAL HA 1 77 GLU H . . 3.330 3.352 3.025 3.510 0.180 18 0 "[ . 1 . 2]" 1
770 1 74 VAL MG1 1 75 LYS H . . 4.010 2.575 2.087 2.741 . 0 0 "[ . 1 . 2]" 1
771 1 74 VAL MG2 1 75 LYS H . . 4.000 4.157 4.004 4.270 0.270 11 0 "[ . 1 . 2]" 1
772 1 75 LYS H 1 75 LYS HG2 . . 3.020 2.969 2.675 3.358 0.338 20 0 "[ . 1 . 2]" 1
773 1 75 LYS H 1 75 LYS HG3 . . 5.500 3.113 2.804 3.530 . 0 0 "[ . 1 . 2]" 1
774 1 75 LYS H 1 76 THR H . . 3.020 2.651 2.580 2.811 . 0 0 "[ . 1 . 2]" 1
775 1 75 LYS HA 1 75 LYS HG2 . . 4.080 2.479 2.308 2.793 . 0 0 "[ . 1 . 2]" 1
776 1 75 LYS HA 1 76 THR H . . 3.480 3.570 3.524 3.612 0.132 15 0 "[ . 1 . 2]" 1
777 1 75 LYS HB2 1 76 THR H . . 2.590 2.890 2.555 3.214 0.624 20 2 "[ . - 1 . +]" 1
778 1 75 LYS HB3 1 75 LYS QE . . 4.780 2.662 2.090 3.312 . 0 0 "[ . 1 . 2]" 1
779 1 75 LYS QE 1 75 LYS HG2 . . 3.850 2.889 2.071 3.497 . 0 0 "[ . 1 . 2]" 1
780 1 76 THR H 1 76 THR HB . . 3.490 2.610 2.451 2.854 . 0 0 "[ . 1 . 2]" 1
781 1 76 THR H 1 76 THR MG . . 3.430 2.472 2.286 2.670 . 0 0 "[ . 1 . 2]" 1
782 1 76 THR H 1 77 GLU H . . 3.330 2.402 2.254 2.566 . 0 0 "[ . 1 . 2]" 1
783 1 76 THR HA 1 76 THR MG . . 3.740 3.260 3.231 3.296 . 0 0 "[ . 1 . 2]" 1
784 1 76 THR HA 1 77 GLU H . . 3.300 3.480 3.410 3.524 0.224 2 0 "[ . 1 . 2]" 1
785 1 76 THR MG 1 77 GLU H . . 2.520 2.619 2.405 2.853 0.333 15 0 "[ . 1 . 2]" 1
786 1 77 GLU H 1 77 GLU QB . . 3.300 2.256 2.137 2.611 . 0 0 "[ . 1 . 2]" 1
787 1 77 GLU H 1 77 GLU HG2 . . 4.480 3.825 2.939 4.351 . 0 0 "[ . 1 . 2]" 1
788 1 77 GLU H 1 77 GLU QG . . 4.520 2.883 2.483 3.929 . 0 0 "[ . 1 . 2]" 1
789 1 77 GLU H 1 77 GLU HG3 . . 4.000 3.044 2.522 4.491 0.491 17 0 "[ . 1 . 2]" 1
790 1 77 GLU HA 1 77 GLU HG2 . . 2.960 2.472 2.109 3.306 0.346 10 0 "[ . 1 . 2]" 1
791 1 77 GLU HA 1 77 GLU QG . . 3.510 2.305 2.064 2.510 . 0 0 "[ . 1 . 2]" 1
792 1 77 GLU HA 1 78 PRO HD2 . . 3.300 2.390 2.151 2.653 . 0 0 "[ . 1 . 2]" 1
793 1 77 GLU HA 1 78 PRO QD . . 3.040 2.111 1.958 2.198 . 0 0 "[ . 1 . 2]" 1
794 1 77 GLU HA 1 78 PRO HD3 . . 3.260 2.462 2.023 3.115 . 0 0 "[ . 1 . 2]" 1
795 1 78 PRO HA 1 78 PRO HD2 . . 4.150 4.061 3.977 4.088 . 0 0 "[ . 1 . 2]" 1
796 1 78 PRO HA 1 78 PRO HD3 . . 3.650 3.596 3.453 3.721 0.071 3 0 "[ . 1 . 2]" 1
797 1 78 PRO HA 1 78 PRO QG . . 3.860 3.533 3.516 3.552 . 0 0 "[ . 1 . 2]" 1
798 1 78 PRO HA 1 79 PRO HD2 . . 3.210 2.389 2.188 2.765 . 0 0 "[ . 1 . 2]" 1
799 1 78 PRO HA 1 79 PRO QD . . 3.010 2.118 2.053 2.189 . 0 0 "[ . 1 . 2]" 1
800 1 78 PRO HA 1 79 PRO HD3 . . 3.210 2.398 2.117 2.545 . 0 0 "[ . 1 . 2]" 1
801 1 79 PRO HA 1 80 ARG H . . 2.770 2.329 2.134 2.664 . 0 0 "[ . 1 . 2]" 1
802 1 79 PRO QB 1 80 ARG H . . 4.360 3.121 2.592 4.050 . 0 0 "[ . 1 . 2]" 1
803 1 79 PRO HB2 1 79 PRO HD3 . . 3.780 3.936 3.884 4.088 0.308 3 0 "[ . 1 . 2]" 1
804 1 79 PRO HB3 1 80 ARG H . . 4.720 3.905 3.548 4.630 . 0 0 "[ . 1 . 2]" 1
805 1 80 ARG H 1 80 ARG HB2 . . 3.700 3.252 2.886 4.027 0.327 5 0 "[ . 1 . 2]" 1
806 1 80 ARG H 1 80 ARG QB . . 3.500 2.931 2.722 3.395 . 0 0 "[ . 1 . 2]" 1
807 1 80 ARG H 1 80 ARG HB3 . . 3.700 3.408 2.947 3.749 0.049 3 0 "[ . 1 . 2]" 1
808 1 80 ARG H 1 80 ARG QG . . 4.800 3.881 2.400 4.424 . 0 0 "[ . 1 . 2]" 1
809 1 80 ARG H 1 81 GLU H . . 3.360 3.812 3.253 4.180 0.820 11 10 "[ **** 1+* *** -2]" 1
810 1 80 ARG HA 1 81 GLU H . . 3.210 2.166 2.065 2.248 . 0 0 "[ . 1 . 2]" 1
811 1 80 ARG QD 1 80 ARG QG . . 2.470 2.080 2.007 2.126 . 0 0 "[ . 1 . 2]" 1
812 1 81 GLU H 1 81 GLU HB2 . . 2.490 2.424 2.036 2.974 0.484 11 0 "[ . 1 . 2]" 1
813 1 81 GLU H 1 81 GLU QG . . 4.550 3.655 2.557 4.273 . 0 0 "[ . 1 . 2]" 1
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