NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575719 |
2m9l   |
19300 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9l
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 788
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 127.962
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0080
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.222 0.007 20 0 "[ . 1 . 2]"
1 3 ARG 0.454 0.012 17 0 "[ . 1 . 2]"
1 4 TYR 0.152 0.012 17 0 "[ . 1 . 2]"
1 5 TRP 0.668 0.017 5 0 "[ . 1 . 2]"
1 6 LEU 1.358 0.034 11 0 "[ . 1 . 2]"
1 7 GLY 1.249 0.034 11 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.045 0.005 14 0 "[ . 1 . 2]"
1 11 ALA 0.138 0.007 13 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 0.252 0.007 13 0 "[ . 1 . 2]"
1 14 THR 0.619 0.018 12 0 "[ . 1 . 2]"
1 15 CYS 0.361 0.012 12 0 "[ . 1 . 2]"
1 16 CYS 0.465 0.018 12 0 "[ . 1 . 2]"
1 17 LYS 0.074 0.009 2 0 "[ . 1 . 2]"
1 18 HIS 0.029 0.003 12 0 "[ . 1 . 2]"
1 19 LEU 0.512 0.012 12 0 "[ . 1 . 2]"
1 20 VAL 0.400 0.018 14 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.682 0.022 19 0 "[ . 1 . 2]"
1 23 ARG 0.034 0.004 11 0 "[ . 1 . 2]"
1 24 ARG 0.031 0.002 1 0 "[ . 1 . 2]"
1 25 HIS 0.565 0.027 7 0 "[ . 1 . 2]"
1 26 GLY 0.017 0.003 10 0 "[ . 1 . 2]"
1 27 TRP 2.014 0.031 8 0 "[ . 1 . 2]"
1 28 CYS 0.001 0.000 3 0 "[ . 1 . 2]"
1 29 VAL 1.096 0.022 19 0 "[ . 1 . 2]"
1 30 TRP 0.923 0.018 14 0 "[ . 1 . 2]"
1 31 ASP 0.029 0.010 19 0 "[ . 1 . 2]"
1 32 GLY 0.022 0.004 11 0 "[ . 1 . 2]"
1 33 THR 0.043 0.004 2 0 "[ . 1 . 2]"
1 34 PHE 0.092 0.010 19 0 "[ . 1 . 2]"
1 35 SER 0.007 0.002 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 CYS H . . 2.640 2.464 2.214 2.629 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 CYS HA . . 5.150 4.318 4.314 4.336 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU HA 1 2 CYS HB3 . . 4.810 4.473 4.392 4.563 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU QB 1 2 CYS H . . 3.310 2.451 1.996 3.081 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS H 1 2 CYS HB2 . . 3.800 3.611 3.610 3.612 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS H 1 2 CYS HB3 . . 3.300 2.513 2.511 2.516 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS H 1 3 ARG HG2 . . 5.500 5.504 5.502 5.507 0.007 20 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 2 CYS HB2 . . 2.960 2.390 2.389 2.391 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HA 1 2 CYS HB3 . . 2.960 2.521 2.520 2.522 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS HA 1 3 ARG H . . 2.800 2.269 2.267 2.274 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HA 1 3 ARG HB2 . . 4.900 4.708 4.700 4.716 . 0 0 "[ . 1 . 2]" 1
12 1 2 CYS HA 1 3 ARG HG3 . . 4.680 4.448 4.435 4.469 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HA 1 13 GLN HE21 . . 5.380 5.347 5.284 5.374 . 0 0 "[ . 1 . 2]" 1
14 1 2 CYS HA 1 14 THR H . . 4.510 4.199 4.109 4.237 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS HA 1 14 THR HB . . 4.530 3.267 3.257 3.288 . 0 0 "[ . 1 . 2]" 1
16 1 2 CYS HA 1 14 THR MG . . 4.680 4.505 4.495 4.530 . 0 0 "[ . 1 . 2]" 1
17 1 2 CYS HA 1 16 CYS H . . 4.660 4.272 4.265 4.278 . 0 0 "[ . 1 . 2]" 1
18 1 2 CYS HB2 1 3 ARG H . . 2.940 2.821 2.809 2.826 . 0 0 "[ . 1 . 2]" 1
19 1 2 CYS HB2 1 3 ARG HA . . 4.880 4.880 4.875 4.883 0.003 2 0 "[ . 1 . 2]" 1
20 1 2 CYS HB2 1 3 ARG HB2 . . 5.310 5.187 5.181 5.190 . 0 0 "[ . 1 . 2]" 1
21 1 2 CYS HB2 1 14 THR HB . . 4.780 3.950 3.918 3.970 . 0 0 "[ . 1 . 2]" 1
22 1 2 CYS HB2 1 14 THR MG . . 4.200 4.206 4.205 4.207 0.007 4 0 "[ . 1 . 2]" 1
23 1 2 CYS HB2 1 15 CYS HA . . 3.920 3.334 3.304 3.355 . 0 0 "[ . 1 . 2]" 1
24 1 2 CYS HB2 1 16 CYS H . . 3.510 2.654 2.644 2.660 . 0 0 "[ . 1 . 2]" 1
25 1 2 CYS HB2 1 16 CYS HA . . 2.980 2.257 2.236 2.291 . 0 0 "[ . 1 . 2]" 1
26 1 2 CYS HB2 1 19 LEU QD . . 5.280 4.834 4.803 4.852 . 0 0 "[ . 1 . 2]" 1
27 1 2 CYS HB3 1 14 THR HB . . 4.340 4.001 3.948 4.026 . 0 0 "[ . 1 . 2]" 1
28 1 2 CYS HB3 1 14 THR MG . . 4.450 4.429 4.422 4.441 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG H 1 3 ARG HB2 . . 2.890 2.554 2.547 2.558 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 3 ARG HG2 . . 3.230 2.798 2.770 2.814 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 3 ARG HG3 . . 3.410 3.114 3.109 3.134 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG H 1 4 TYR H . . 4.950 4.564 4.562 4.566 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG H 1 4 TYR HA . . 5.500 5.186 5.180 5.191 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG H 1 13 GLN QB . . 5.500 5.317 5.253 5.334 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG H 1 13 GLN HE21 . . 5.110 4.577 4.550 4.584 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG H 1 13 GLN HE22 . . 5.500 5.505 5.503 5.507 0.007 20 0 "[ . 1 . 2]" 1
37 1 3 ARG H 1 14 THR H . . 4.920 4.451 4.411 4.465 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG H 1 15 CYS HA . . 2.970 2.324 2.308 2.345 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG H 1 16 CYS H . . 3.530 2.943 2.933 2.950 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG H 1 16 CYS HB2 . . 5.290 5.072 5.063 5.090 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG HA 1 3 ARG HB3 . . 2.850 2.435 2.432 2.438 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG HA 1 3 ARG HG2 . . 3.800 2.549 2.544 2.560 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG HA 1 4 TYR H . . 2.430 2.347 2.343 2.355 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG HA 1 4 TYR HB3 . . 4.460 4.466 4.446 4.472 0.012 17 0 "[ . 1 . 2]" 1
45 1 3 ARG HA 1 4 TYR QE . . 5.180 4.938 4.932 4.952 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG HA 1 7 GLY HA3 . . 4.720 4.236 4.224 4.246 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG HA 1 16 CYS H . . 4.830 4.459 4.455 4.465 . 0 0 "[ . 1 . 2]" 1
48 1 3 ARG HA 1 19 LEU QD . . 5.500 5.186 5.156 5.204 . 0 0 "[ . 1 . 2]" 1
49 1 3 ARG HB2 1 4 TYR H . . 3.820 3.652 3.640 3.662 . 0 0 "[ . 1 . 2]" 1
50 1 3 ARG HB2 1 7 GLY HA3 . . 4.050 3.478 3.464 3.501 . 0 0 "[ . 1 . 2]" 1
51 1 3 ARG HB2 1 13 GLN QB . . 5.020 4.994 4.978 5.001 . 0 0 "[ . 1 . 2]" 1
52 1 3 ARG HB2 1 15 CYS HA . . 3.240 3.013 3.006 3.021 . 0 0 "[ . 1 . 2]" 1
53 1 3 ARG HB2 1 15 CYS HB2 . . 5.500 5.499 5.491 5.503 0.003 14 0 "[ . 1 . 2]" 1
54 1 3 ARG HB2 1 15 CYS HB3 . . 4.810 4.464 4.443 4.486 . 0 0 "[ . 1 . 2]" 1
55 1 3 ARG HB2 1 16 CYS H . . 4.280 4.059 4.046 4.076 . 0 0 "[ . 1 . 2]" 1
56 1 3 ARG HB2 1 28 CYS H . . 5.440 4.757 4.738 4.779 . 0 0 "[ . 1 . 2]" 1
57 1 3 ARG HB3 1 4 TYR H . . 3.160 2.581 2.559 2.591 . 0 0 "[ . 1 . 2]" 1
58 1 3 ARG HB3 1 4 TYR HA . . 4.970 4.730 4.713 4.738 . 0 0 "[ . 1 . 2]" 1
59 1 3 ARG HB3 1 4 TYR QE . . 5.370 5.264 5.251 5.272 . 0 0 "[ . 1 . 2]" 1
60 1 3 ARG HB3 1 7 GLY HA2 . . 3.920 3.716 3.706 3.729 . 0 0 "[ . 1 . 2]" 1
61 1 3 ARG HB3 1 7 GLY HA3 . . 3.190 2.189 2.181 2.198 . 0 0 "[ . 1 . 2]" 1
62 1 3 ARG HB3 1 8 GLY H . . 4.220 4.093 3.984 4.173 . 0 0 "[ . 1 . 2]" 1
63 1 3 ARG HB3 1 15 CYS HA . . 4.890 4.627 4.623 4.632 . 0 0 "[ . 1 . 2]" 1
64 1 3 ARG HB3 1 16 CYS H . . 5.130 5.135 5.132 5.140 0.010 20 0 "[ . 1 . 2]" 1
65 1 3 ARG HB3 1 28 CYS H . . 5.180 5.043 5.006 5.066 . 0 0 "[ . 1 . 2]" 1
66 1 3 ARG HG2 1 9 CYS HA . . 5.400 5.220 5.120 5.261 . 0 0 "[ . 1 . 2]" 1
67 1 3 ARG HG2 1 13 GLN HE21 . . 5.480 3.361 3.305 3.382 . 0 0 "[ . 1 . 2]" 1
68 1 3 ARG HG2 1 13 GLN HE22 . . 5.480 3.584 3.542 3.599 . 0 0 "[ . 1 . 2]" 1
69 1 3 ARG HG2 1 14 THR H . . 4.830 4.803 4.770 4.825 . 0 0 "[ . 1 . 2]" 1
70 1 3 ARG HG3 1 9 CYS H . . 5.500 5.366 5.260 5.416 . 0 0 "[ . 1 . 2]" 1
71 1 3 ARG HG3 1 9 CYS HA . . 4.870 3.474 3.373 3.516 . 0 0 "[ . 1 . 2]" 1
72 1 3 ARG HG3 1 13 GLN QB . . 3.680 3.567 3.534 3.580 . 0 0 "[ . 1 . 2]" 1
73 1 3 ARG HG3 1 13 GLN HE21 . . 5.260 1.974 1.962 1.984 . 0 0 "[ . 1 . 2]" 1
74 1 3 ARG HG3 1 13 GLN HE22 . . 5.360 2.408 2.395 2.412 . 0 0 "[ . 1 . 2]" 1
75 1 3 ARG HG3 1 13 GLN HG2 . . 4.530 4.297 4.286 4.319 . 0 0 "[ . 1 . 2]" 1
76 1 3 ARG HG3 1 13 GLN HG3 . . 5.500 5.443 5.438 5.455 . 0 0 "[ . 1 . 2]" 1
77 1 3 ARG HG3 1 14 THR H . . 4.620 3.974 3.950 4.028 . 0 0 "[ . 1 . 2]" 1
78 1 3 ARG HG3 1 15 CYS HA . . 5.190 4.257 4.244 4.287 . 0 0 "[ . 1 . 2]" 1
79 1 4 TYR H 1 4 TYR HB2 . . 3.760 3.672 3.669 3.681 . 0 0 "[ . 1 . 2]" 1
80 1 4 TYR H 1 4 TYR HB3 . . 3.060 2.916 2.913 2.921 . 0 0 "[ . 1 . 2]" 1
81 1 4 TYR H 1 4 TYR QD . . 3.540 2.351 2.314 2.360 . 0 0 "[ . 1 . 2]" 1
82 1 4 TYR H 1 4 TYR QE . . 4.520 3.895 3.894 3.896 . 0 0 "[ . 1 . 2]" 1
83 1 4 TYR H 1 7 GLY H . . 5.230 4.343 4.303 4.355 . 0 0 "[ . 1 . 2]" 1
84 1 4 TYR H 1 7 GLY HA3 . . 4.090 3.061 3.021 3.073 . 0 0 "[ . 1 . 2]" 1
85 1 4 TYR H 1 15 CYS HA . . 5.500 5.494 5.480 5.501 0.001 7 0 "[ . 1 . 2]" 1
86 1 4 TYR H 1 19 LEU QD . . 4.590 4.325 4.288 4.348 . 0 0 "[ . 1 . 2]" 1
87 1 4 TYR HA 1 5 TRP HA . . 4.730 4.321 4.319 4.321 . 0 0 "[ . 1 . 2]" 1
88 1 4 TYR HA 1 7 GLY H . . 5.500 5.049 5.031 5.054 . 0 0 "[ . 1 . 2]" 1
89 1 4 TYR HA 1 16 CYS H . . 4.000 3.669 3.661 3.673 . 0 0 "[ . 1 . 2]" 1
90 1 4 TYR HA 1 16 CYS HB3 . . 4.840 4.563 4.547 4.586 . 0 0 "[ . 1 . 2]" 1
91 1 4 TYR HA 1 19 LEU QD . . 2.900 2.104 2.051 2.140 . 0 0 "[ . 1 . 2]" 1
92 1 4 TYR HA 1 28 CYS HB2 . . 5.050 4.352 4.329 4.367 . 0 0 "[ . 1 . 2]" 1
93 1 4 TYR HA 1 28 CYS HB3 . . 5.300 4.735 4.698 4.763 . 0 0 "[ . 1 . 2]" 1
94 1 4 TYR HB2 1 5 TRP HA . . 4.730 4.563 4.561 4.567 . 0 0 "[ . 1 . 2]" 1
95 1 4 TYR HB2 1 5 TRP HB3 . . 4.240 4.154 4.149 4.177 . 0 0 "[ . 1 . 2]" 1
96 1 4 TYR HB2 1 7 GLY H . . 5.500 5.500 5.495 5.503 0.003 8 0 "[ . 1 . 2]" 1
97 1 4 TYR HB2 1 19 LEU QD . . 4.210 3.203 3.144 3.229 . 0 0 "[ . 1 . 2]" 1
98 1 4 TYR HB3 1 19 LEU QD . . 3.760 3.718 3.678 3.743 . 0 0 "[ . 1 . 2]" 1
99 1 4 TYR QD 1 5 TRP HA . . 4.960 4.222 4.218 4.227 . 0 0 "[ . 1 . 2]" 1
100 1 4 TYR QD 1 5 TRP HB2 . . 3.950 3.871 3.796 3.891 . 0 0 "[ . 1 . 2]" 1
101 1 4 TYR QD 1 5 TRP HB3 . . 3.660 3.019 2.970 3.033 . 0 0 "[ . 1 . 2]" 1
102 1 4 TYR QD 1 6 LEU HG . . 5.500 4.944 4.932 4.971 . 0 0 "[ . 1 . 2]" 1
103 1 4 TYR QD 1 7 GLY H . . 5.040 4.405 4.389 4.441 . 0 0 "[ . 1 . 2]" 1
104 1 4 TYR QD 1 7 GLY HA3 . . 5.500 4.390 4.365 4.399 . 0 0 "[ . 1 . 2]" 1
105 1 4 TYR QE 1 7 GLY H . . 5.140 5.022 5.012 5.032 . 0 0 "[ . 1 . 2]" 1
106 1 4 TYR QE 1 7 GLY HA2 . . 4.250 3.952 3.935 3.964 . 0 0 "[ . 1 . 2]" 1
107 1 4 TYR QE 1 7 GLY HA3 . . 5.410 4.667 4.648 4.676 . 0 0 "[ . 1 . 2]" 1
108 1 5 TRP HA 1 5 TRP HD1 . . 3.080 2.286 2.273 2.292 . 0 0 "[ . 1 . 2]" 1
109 1 5 TRP HA 1 5 TRP HE1 . . 5.040 4.612 4.604 4.616 . 0 0 "[ . 1 . 2]" 1
110 1 5 TRP HA 1 6 LEU H . . 2.580 2.177 2.175 2.178 . 0 0 "[ . 1 . 2]" 1
111 1 5 TRP HA 1 6 LEU HA . . 4.540 4.380 4.379 4.381 . 0 0 "[ . 1 . 2]" 1
112 1 5 TRP HA 1 6 LEU HB2 . . 5.350 4.918 4.911 4.925 . 0 0 "[ . 1 . 2]" 1
113 1 5 TRP HA 1 6 LEU MD1 . . 5.470 5.422 5.416 5.428 . 0 0 "[ . 1 . 2]" 1
114 1 5 TRP HA 1 6 LEU MD2 . . 4.540 3.817 3.788 3.854 . 0 0 "[ . 1 . 2]" 1
115 1 5 TRP HA 1 6 LEU HG . . 4.900 4.042 4.035 4.050 . 0 0 "[ . 1 . 2]" 1
116 1 5 TRP HA 1 7 GLY H . . 3.830 3.429 3.423 3.434 . 0 0 "[ . 1 . 2]" 1
117 1 5 TRP HA 1 19 LEU QD . . 3.670 2.332 2.287 2.379 . 0 0 "[ . 1 . 2]" 1
118 1 5 TRP HA 1 28 CYS H . . 4.900 4.775 4.736 4.804 . 0 0 "[ . 1 . 2]" 1
119 1 5 TRP HA 1 28 CYS HA . . 5.500 5.092 5.064 5.112 . 0 0 "[ . 1 . 2]" 1
120 1 5 TRP HA 1 28 CYS HB2 . . 3.580 2.986 2.953 3.033 . 0 0 "[ . 1 . 2]" 1
121 1 5 TRP HA 1 28 CYS HB3 . . 4.030 3.810 3.768 3.834 . 0 0 "[ . 1 . 2]" 1
122 1 5 TRP HA 1 29 VAL H . . 5.410 5.057 5.036 5.079 . 0 0 "[ . 1 . 2]" 1
123 1 5 TRP HA 1 29 VAL HA . . 4.240 3.808 3.785 3.827 . 0 0 "[ . 1 . 2]" 1
124 1 5 TRP HA 1 29 VAL MG1 . . 5.500 5.039 5.013 5.076 . 0 0 "[ . 1 . 2]" 1
125 1 5 TRP HB2 1 5 TRP HD1 . . 3.670 3.093 3.089 3.102 . 0 0 "[ . 1 . 2]" 1
126 1 5 TRP HB2 1 5 TRP HE3 . . 3.820 3.678 3.668 3.682 . 0 0 "[ . 1 . 2]" 1
127 1 5 TRP HB2 1 19 LEU QD . . 4.190 2.442 2.408 2.481 . 0 0 "[ . 1 . 2]" 1
128 1 5 TRP HB3 1 5 TRP HE3 . . 3.550 2.423 2.421 2.426 . 0 0 "[ . 1 . 2]" 1
129 1 5 TRP HB3 1 5 TRP HZ3 . . 4.980 4.839 4.838 4.842 . 0 0 "[ . 1 . 2]" 1
130 1 5 TRP HB3 1 6 LEU H . . 4.010 3.923 3.920 3.931 . 0 0 "[ . 1 . 2]" 1
131 1 5 TRP HB3 1 6 LEU MD2 . . 5.250 4.258 4.229 4.289 . 0 0 "[ . 1 . 2]" 1
132 1 5 TRP HB3 1 6 LEU HG . . 5.290 3.104 3.095 3.114 . 0 0 "[ . 1 . 2]" 1
133 1 5 TRP HD1 1 6 LEU H . . 3.360 3.132 3.129 3.137 . 0 0 "[ . 1 . 2]" 1
134 1 5 TRP HD1 1 6 LEU HA . . 5.250 5.257 5.256 5.258 0.008 8 0 "[ . 1 . 2]" 1
135 1 5 TRP HD1 1 6 LEU MD2 . . 3.760 3.592 3.533 3.660 . 0 0 "[ . 1 . 2]" 1
136 1 5 TRP HD1 1 6 LEU HG . . 4.540 4.394 4.384 4.405 . 0 0 "[ . 1 . 2]" 1
137 1 5 TRP HD1 1 7 GLY H . . 5.350 5.359 5.357 5.362 0.012 11 0 "[ . 1 . 2]" 1
138 1 5 TRP HD1 1 19 LEU HB3 . . 5.360 4.487 4.467 4.504 . 0 0 "[ . 1 . 2]" 1
139 1 5 TRP HD1 1 19 LEU QD . . 4.310 2.392 2.369 2.417 . 0 0 "[ . 1 . 2]" 1
140 1 5 TRP HD1 1 20 VAL QG . . 5.500 5.468 5.431 5.502 0.002 8 0 "[ . 1 . 2]" 1
141 1 5 TRP HD1 1 27 TRP HE1 . . 5.500 5.380 5.350 5.398 . 0 0 "[ . 1 . 2]" 1
142 1 5 TRP HD1 1 28 CYS HB2 . . 5.120 4.484 4.451 4.526 . 0 0 "[ . 1 . 2]" 1
143 1 5 TRP HD1 1 29 VAL H . . 5.140 4.382 4.345 4.415 . 0 0 "[ . 1 . 2]" 1
144 1 5 TRP HD1 1 29 VAL HA . . 2.830 2.149 2.120 2.181 . 0 0 "[ . 1 . 2]" 1
145 1 5 TRP HD1 1 29 VAL HB . . 4.390 4.348 4.327 4.378 . 0 0 "[ . 1 . 2]" 1
146 1 5 TRP HD1 1 29 VAL MG1 . . 4.120 4.014 3.978 4.047 . 0 0 "[ . 1 . 2]" 1
147 1 5 TRP HD1 1 29 VAL MG2 . . 4.980 4.771 4.746 4.799 . 0 0 "[ . 1 . 2]" 1
148 1 5 TRP HD1 1 30 TRP H . . 3.590 2.889 2.865 2.915 . 0 0 "[ . 1 . 2]" 1
149 1 5 TRP HD1 1 30 TRP HB2 . . 5.190 4.903 4.853 4.952 . 0 0 "[ . 1 . 2]" 1
150 1 5 TRP HD1 1 30 TRP HB3 . . 5.500 5.515 5.513 5.517 0.017 5 0 "[ . 1 . 2]" 1
151 1 5 TRP HD1 1 30 TRP HE1 . . 4.880 4.882 4.880 4.883 0.003 15 0 "[ . 1 . 2]" 1
152 1 5 TRP HE1 1 6 LEU H . . 5.110 4.479 4.472 4.496 . 0 0 "[ . 1 . 2]" 1
153 1 5 TRP HE1 1 6 LEU MD1 . . 5.090 5.040 5.025 5.057 . 0 0 "[ . 1 . 2]" 1
154 1 5 TRP HE1 1 6 LEU MD2 . . 3.620 3.235 3.203 3.267 . 0 0 "[ . 1 . 2]" 1
155 1 5 TRP HE1 1 6 LEU HG . . 4.670 4.624 4.607 4.640 . 0 0 "[ . 1 . 2]" 1
156 1 5 TRP HE1 1 29 VAL HA . . 3.790 2.426 2.390 2.467 . 0 0 "[ . 1 . 2]" 1
157 1 5 TRP HE1 1 29 VAL HB . . 4.510 3.295 3.266 3.328 . 0 0 "[ . 1 . 2]" 1
158 1 5 TRP HE1 1 29 VAL MG1 . . 4.040 3.206 3.165 3.270 . 0 0 "[ . 1 . 2]" 1
159 1 5 TRP HE1 1 29 VAL MG2 . . 5.250 4.644 4.617 4.670 . 0 0 "[ . 1 . 2]" 1
160 1 5 TRP HE1 1 30 TRP H . . 3.910 2.250 2.208 2.280 . 0 0 "[ . 1 . 2]" 1
161 1 5 TRP HE1 1 30 TRP HB2 . . 5.320 3.951 3.879 4.006 . 0 0 "[ . 1 . 2]" 1
162 1 5 TRP HE1 1 30 TRP HD1 . . 3.740 3.330 3.299 3.355 . 0 0 "[ . 1 . 2]" 1
163 1 5 TRP HE1 1 30 TRP HE1 . . 4.790 4.210 4.103 4.321 . 0 0 "[ . 1 . 2]" 1
164 1 5 TRP HE3 1 6 LEU H . . 5.500 5.287 5.274 5.315 . 0 0 "[ . 1 . 2]" 1
165 1 5 TRP HE3 1 6 LEU HB2 . . 4.790 4.548 4.531 4.579 . 0 0 "[ . 1 . 2]" 1
166 1 5 TRP HE3 1 6 LEU MD1 . . 4.080 3.262 3.247 3.296 . 0 0 "[ . 1 . 2]" 1
167 1 5 TRP HE3 1 6 LEU MD2 . . 4.600 4.164 4.138 4.198 . 0 0 "[ . 1 . 2]" 1
168 1 5 TRP HE3 1 6 LEU HG . . 4.210 2.941 2.918 2.986 . 0 0 "[ . 1 . 2]" 1
169 1 5 TRP HE3 1 19 LEU QD . . 5.500 5.274 5.250 5.296 . 0 0 "[ . 1 . 2]" 1
170 1 5 TRP HH2 1 6 LEU MD1 . . 3.840 3.450 3.432 3.505 . 0 0 "[ . 1 . 2]" 1
171 1 5 TRP HH2 1 6 LEU MD2 . . 4.350 4.007 3.978 4.058 . 0 0 "[ . 1 . 2]" 1
172 1 5 TRP HH2 1 6 LEU HG . . 5.240 4.901 4.885 4.935 . 0 0 "[ . 1 . 2]" 1
173 1 5 TRP HH2 1 30 TRP HE1 . . 5.230 4.295 4.161 4.416 . 0 0 "[ . 1 . 2]" 1
174 1 5 TRP HZ2 1 6 LEU MD1 . . 4.280 4.128 4.109 4.161 . 0 0 "[ . 1 . 2]" 1
175 1 5 TRP HZ2 1 6 LEU MD2 . . 4.250 3.315 3.251 3.386 . 0 0 "[ . 1 . 2]" 1
176 1 5 TRP HZ2 1 6 LEU HG . . 5.500 4.817 4.800 4.844 . 0 0 "[ . 1 . 2]" 1
177 1 5 TRP HZ2 1 29 VAL HB . . 5.500 5.474 5.446 5.500 . 6 0 "[ . 1 . 2]" 1
178 1 5 TRP HZ2 1 30 TRP H . . 4.780 4.731 4.683 4.765 . 0 0 "[ . 1 . 2]" 1
179 1 5 TRP HZ3 1 6 LEU MD1 . . 3.800 3.028 3.001 3.091 . 0 0 "[ . 1 . 2]" 1
180 1 5 TRP HZ3 1 6 LEU HG . . 5.240 4.112 4.089 4.158 . 0 0 "[ . 1 . 2]" 1
181 1 6 LEU H 1 6 LEU HA . . 2.640 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
182 1 6 LEU H 1 6 LEU HB2 . . 4.130 3.678 3.675 3.681 . 0 0 "[ . 1 . 2]" 1
183 1 6 LEU H 1 6 LEU HB3 . . 4.180 3.959 3.955 3.965 . 0 0 "[ . 1 . 2]" 1
184 1 6 LEU H 1 6 LEU MD1 . . 4.490 4.384 4.380 4.391 . 0 0 "[ . 1 . 2]" 1
185 1 6 LEU H 1 6 LEU MD2 . . 3.280 2.230 2.178 2.297 . 0 0 "[ . 1 . 2]" 1
186 1 6 LEU H 1 6 LEU HG . . 3.830 3.072 3.064 3.079 . 0 0 "[ . 1 . 2]" 1
187 1 6 LEU H 1 7 GLY H . . 3.460 2.696 2.688 2.702 . 0 0 "[ . 1 . 2]" 1
188 1 6 LEU H 1 27 TRP HD1 . . 3.780 2.985 2.966 2.994 . 0 0 "[ . 1 . 2]" 1
189 1 6 LEU H 1 27 TRP HE1 . . 5.400 4.577 4.562 4.586 . 0 0 "[ . 1 . 2]" 1
190 1 6 LEU H 1 28 CYS HA . . 5.290 4.775 4.759 4.789 . 0 0 "[ . 1 . 2]" 1
191 1 6 LEU H 1 28 CYS HB2 . . 3.340 3.260 3.238 3.287 . 0 0 "[ . 1 . 2]" 1
192 1 6 LEU H 1 28 CYS HB3 . . 4.520 4.509 4.487 4.520 0.000 3 0 "[ . 1 . 2]" 1
193 1 6 LEU H 1 29 VAL HA . . 4.190 3.644 3.627 3.661 . 0 0 "[ . 1 . 2]" 1
194 1 6 LEU H 1 29 VAL MG1 . . 4.570 4.082 4.034 4.122 . 0 0 "[ . 1 . 2]" 1
195 1 6 LEU HA 1 6 LEU MD1 . . 3.980 3.827 3.823 3.829 . 0 0 "[ . 1 . 2]" 1
196 1 6 LEU HA 1 6 LEU MD2 . . 3.000 2.227 2.197 2.248 . 0 0 "[ . 1 . 2]" 1
197 1 6 LEU HA 1 6 LEU HG . . 3.910 3.464 3.458 3.470 . 0 0 "[ . 1 . 2]" 1
198 1 6 LEU HA 1 7 GLY HA2 . . 4.810 4.724 4.722 4.726 . 0 0 "[ . 1 . 2]" 1
199 1 6 LEU HA 1 27 TRP HD1 . . 3.160 2.919 2.898 2.944 . 0 0 "[ . 1 . 2]" 1
200 1 6 LEU HA 1 27 TRP HE1 . . 4.480 4.250 4.238 4.262 . 0 0 "[ . 1 . 2]" 1
201 1 6 LEU HB2 1 6 LEU MD1 . . 2.960 2.424 2.419 2.429 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU HB2 1 6 LEU MD2 . . 3.460 3.186 3.184 3.188 . 0 0 "[ . 1 . 2]" 1
203 1 6 LEU HB2 1 7 GLY H . . 4.220 3.988 3.984 3.992 . 0 0 "[ . 1 . 2]" 1
204 1 6 LEU HB3 1 6 LEU MD1 . . 3.070 2.289 2.284 2.293 . 0 0 "[ . 1 . 2]" 1
205 1 6 LEU HB3 1 6 LEU MD2 . . 3.100 2.436 2.404 2.467 . 0 0 "[ . 1 . 2]" 1
206 1 6 LEU HB3 1 7 GLY H . . 5.110 4.516 4.513 4.518 . 0 0 "[ . 1 . 2]" 1
207 1 6 LEU HB3 1 27 TRP HB2 . . 4.610 3.972 3.959 3.988 . 0 0 "[ . 1 . 2]" 1
208 1 6 LEU HB3 1 27 TRP HD1 . . 5.150 4.933 4.903 4.967 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU HB3 1 27 TRP HE1 . . 5.500 5.266 5.235 5.297 . 0 0 "[ . 1 . 2]" 1
210 1 6 LEU MD1 1 7 GLY H . . 5.500 5.532 5.530 5.534 0.034 11 0 "[ . 1 . 2]" 1
211 1 6 LEU MD1 1 27 TRP HE1 . . 4.890 4.638 4.616 4.659 . 0 0 "[ . 1 . 2]" 1
212 1 6 LEU MD1 1 27 TRP HE3 . . 5.500 5.529 5.528 5.531 0.031 8 0 "[ . 1 . 2]" 1
213 1 6 LEU MD1 1 27 TRP HZ2 . . 4.730 4.660 4.647 4.673 . 0 0 "[ . 1 . 2]" 1
214 1 6 LEU MD2 1 7 GLY H . . 4.630 4.305 4.267 4.345 . 0 0 "[ . 1 . 2]" 1
215 1 6 LEU MD2 1 27 TRP HA . . 5.500 5.449 5.437 5.458 . 0 0 "[ . 1 . 2]" 1
216 1 6 LEU MD2 1 27 TRP HB2 . . 4.470 3.599 3.582 3.613 . 0 0 "[ . 1 . 2]" 1
217 1 6 LEU MD2 1 27 TRP HD1 . . 3.110 2.639 2.584 2.698 . 0 0 "[ . 1 . 2]" 1
218 1 6 LEU MD2 1 27 TRP HE1 . . 3.200 2.438 2.429 2.447 . 0 0 "[ . 1 . 2]" 1
219 1 6 LEU MD2 1 27 TRP HE3 . . 4.700 4.378 4.324 4.436 . 0 0 "[ . 1 . 2]" 1
220 1 6 LEU MD2 1 27 TRP HZ2 . . 4.500 3.351 3.323 3.372 . 0 0 "[ . 1 . 2]" 1
221 1 6 LEU MD2 1 28 CYS H . . 4.940 4.814 4.778 4.857 . 0 0 "[ . 1 . 2]" 1
222 1 6 LEU MD2 1 28 CYS HB2 . . 5.310 5.053 5.019 5.102 . 0 0 "[ . 1 . 2]" 1
223 1 6 LEU MD2 1 29 VAL HA . . 4.490 3.550 3.516 3.610 . 0 0 "[ . 1 . 2]" 1
224 1 6 LEU MD2 1 29 VAL HB . . 5.010 4.963 4.935 5.008 . 0 0 "[ . 1 . 2]" 1
225 1 6 LEU MD2 1 29 VAL MG1 . . 3.670 3.232 3.210 3.251 . 0 0 "[ . 1 . 2]" 1
226 1 6 LEU MD2 1 29 VAL MG2 . . 5.360 5.222 5.208 5.243 . 0 0 "[ . 1 . 2]" 1
227 1 6 LEU MD2 1 30 TRP H . . 5.390 4.907 4.877 4.952 . 0 0 "[ . 1 . 2]" 1
228 1 6 LEU HG 1 7 GLY H . . 5.120 4.833 4.831 4.836 . 0 0 "[ . 1 . 2]" 1
229 1 6 LEU HG 1 27 TRP HD1 . . 5.050 5.008 5.005 5.010 . 0 0 "[ . 1 . 2]" 1
230 1 6 LEU HG 1 27 TRP HE1 . . 5.390 5.111 5.106 5.114 . 0 0 "[ . 1 . 2]" 1
231 1 7 GLY H 1 7 GLY HA3 . . 2.740 2.303 2.302 2.304 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLY H 1 8 GLY H . . 3.690 2.591 2.573 2.615 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLY H 1 19 LEU QD . . 5.450 4.534 4.495 4.577 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLY H 1 27 TRP HD1 . . 5.130 4.654 4.643 4.665 . 0 0 "[ . 1 . 2]" 1
235 1 7 GLY H 1 28 CYS HB2 . . 3.320 2.687 2.664 2.714 . 0 0 "[ . 1 . 2]" 1
236 1 7 GLY H 1 28 CYS HB3 . . 4.570 4.447 4.423 4.474 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLY HA2 1 28 CYS H . . 5.220 5.115 5.104 5.130 . 0 0 "[ . 1 . 2]" 1
238 1 7 GLY HA2 1 28 CYS HB2 . . 5.390 5.230 5.209 5.260 . 0 0 "[ . 1 . 2]" 1
239 1 7 GLY HA3 1 8 GLY H . . 3.110 2.840 2.792 2.872 . 0 0 "[ . 1 . 2]" 1
240 1 7 GLY HA3 1 8 GLY HA2 . . 5.150 4.917 4.889 4.935 . 0 0 "[ . 1 . 2]" 1
241 1 7 GLY HA3 1 8 GLY HA3 . . 4.810 4.531 4.511 4.551 . 0 0 "[ . 1 . 2]" 1
242 1 7 GLY HA3 1 19 LEU QD . . 5.500 5.309 5.280 5.340 . 0 0 "[ . 1 . 2]" 1
243 1 7 GLY HA3 1 27 TRP HA . . 5.500 5.520 5.517 5.524 0.024 5 0 "[ . 1 . 2]" 1
244 1 7 GLY HA3 1 28 CYS H . . 4.730 4.129 4.122 4.139 . 0 0 "[ . 1 . 2]" 1
245 1 7 GLY HA3 1 28 CYS HB2 . . 4.170 3.927 3.905 3.958 . 0 0 "[ . 1 . 2]" 1
246 1 8 GLY H 1 27 TRP HA . . 4.520 2.692 2.670 2.735 . 0 0 "[ . 1 . 2]" 1
247 1 8 GLY H 1 27 TRP HB2 . . 3.800 2.453 2.378 2.572 . 0 0 "[ . 1 . 2]" 1
248 1 8 GLY H 1 28 CYS HA . . 5.500 4.810 4.783 4.842 . 0 0 "[ . 1 . 2]" 1
249 1 8 GLY HA2 1 9 CYS H . . 2.730 2.321 2.320 2.322 . 0 0 "[ . 1 . 2]" 1
250 1 8 GLY HA2 1 9 CYS HA . . 5.500 4.502 4.500 4.506 . 0 0 "[ . 1 . 2]" 1
251 1 8 GLY HA2 1 13 GLN HE22 . . 5.500 5.445 5.421 5.487 . 0 0 "[ . 1 . 2]" 1
252 1 8 GLY HA2 1 27 TRP H . . 4.790 4.564 4.546 4.595 . 0 0 "[ . 1 . 2]" 1
253 1 8 GLY HA2 1 27 TRP HA . . 3.070 1.996 1.995 1.997 . 0 0 "[ . 1 . 2]" 1
254 1 8 GLY HA2 1 27 TRP HB2 . . 3.930 3.073 3.055 3.123 . 0 0 "[ . 1 . 2]" 1
255 1 8 GLY HA2 1 28 CYS H . . 4.140 3.508 3.487 3.529 . 0 0 "[ . 1 . 2]" 1
256 1 8 GLY HA3 1 9 CYS HA . . 4.930 4.692 4.688 4.703 . 0 0 "[ . 1 . 2]" 1
257 1 8 GLY HA3 1 13 GLN HE22 . . 5.450 4.674 4.641 4.716 . 0 0 "[ . 1 . 2]" 1
258 1 8 GLY HA3 1 27 TRP HA . . 3.950 3.713 3.710 3.722 . 0 0 "[ . 1 . 2]" 1
259 1 8 GLY HA3 1 27 TRP HB2 . . 4.880 4.224 4.205 4.256 . 0 0 "[ . 1 . 2]" 1
260 1 8 GLY HA3 1 27 TRP HB3 . . 4.260 3.932 3.893 3.981 . 0 0 "[ . 1 . 2]" 1
261 1 8 GLY HA3 1 28 CYS H . . 5.040 4.689 4.674 4.709 . 0 0 "[ . 1 . 2]" 1
262 1 9 CYS H 1 9 CYS HB2 . . 3.970 3.617 3.613 3.619 . 0 0 "[ . 1 . 2]" 1
263 1 9 CYS H 1 9 CYS QB . . 3.410 2.504 2.488 2.536 . 0 0 "[ . 1 . 2]" 1
264 1 9 CYS H 1 9 CYS HB3 . . 3.970 2.553 2.534 2.591 . 0 0 "[ . 1 . 2]" 1
265 1 9 CYS H 1 13 GLN HE21 . . 5.500 5.221 5.195 5.232 . 0 0 "[ . 1 . 2]" 1
266 1 9 CYS H 1 13 GLN HE22 . . 5.020 4.862 4.841 4.896 . 0 0 "[ . 1 . 2]" 1
267 1 9 CYS H 1 26 GLY HA2 . . 5.340 5.116 5.090 5.209 . 0 0 "[ . 1 . 2]" 1
268 1 9 CYS H 1 27 TRP H . . 4.930 4.386 4.360 4.497 . 0 0 "[ . 1 . 2]" 1
269 1 9 CYS H 1 27 TRP HA . . 2.950 1.977 1.948 2.098 . 0 0 "[ . 1 . 2]" 1
270 1 9 CYS H 1 27 TRP HB2 . . 4.340 4.073 4.047 4.169 . 0 0 "[ . 1 . 2]" 1
271 1 9 CYS H 1 27 TRP HB3 . . 4.450 4.214 4.179 4.331 . 0 0 "[ . 1 . 2]" 1
272 1 9 CYS H 1 28 CYS H . . 4.360 2.971 2.936 3.035 . 0 0 "[ . 1 . 2]" 1
273 1 9 CYS HA 1 9 CYS HB2 . . 2.990 2.401 2.391 2.426 . 0 0 "[ . 1 . 2]" 1
274 1 9 CYS HA 1 9 CYS HB3 . . 2.990 2.508 2.481 2.520 . 0 0 "[ . 1 . 2]" 1
275 1 9 CYS HA 1 10 SER H . . 3.090 2.686 2.677 2.700 . 0 0 "[ . 1 . 2]" 1
276 1 9 CYS HA 1 10 SER HB2 . . 5.300 3.904 3.854 4.023 . 0 0 "[ . 1 . 2]" 1
277 1 9 CYS HA 1 13 GLN HA . . 5.500 5.419 5.405 5.431 . 0 0 "[ . 1 . 2]" 1
278 1 9 CYS HA 1 13 GLN QB . . 2.850 2.581 2.569 2.592 . 0 0 "[ . 1 . 2]" 1
279 1 9 CYS HA 1 13 GLN HE21 . . 5.340 2.557 2.527 2.575 . 0 0 "[ . 1 . 2]" 1
280 1 9 CYS HA 1 13 GLN HE22 . . 5.250 2.760 2.733 2.792 . 0 0 "[ . 1 . 2]" 1
281 1 9 CYS HA 1 13 GLN HG2 . . 4.700 4.640 4.629 4.660 . 0 0 "[ . 1 . 2]" 1
282 1 9 CYS HA 1 13 GLN HG3 . . 4.900 4.696 4.674 4.744 . 0 0 "[ . 1 . 2]" 1
283 1 9 CYS HA 1 27 TRP HA . . 5.230 4.838 4.810 4.950 . 0 0 "[ . 1 . 2]" 1
284 1 9 CYS QB 1 10 SER H . . 3.510 2.011 1.954 2.039 . 0 0 "[ . 1 . 2]" 1
285 1 9 CYS QB 1 10 SER HA . . 5.130 4.305 4.261 4.322 . 0 0 "[ . 1 . 2]" 1
286 1 9 CYS QB 1 13 GLN QB . . 3.660 2.886 2.868 2.904 . 0 0 "[ . 1 . 2]" 1
287 1 9 CYS QB 1 14 THR HA . . 4.440 4.057 4.023 4.069 . 0 0 "[ . 1 . 2]" 1
288 1 9 CYS QB 1 15 CYS H . . 5.340 4.880 4.834 4.889 . 0 0 "[ . 1 . 2]" 1
289 1 9 CYS QB 1 21 CYS HA . . 4.650 2.825 2.780 2.885 . 0 0 "[ . 1 . 2]" 1
290 1 9 CYS QB 1 21 CYS QB . . 3.630 2.565 2.545 2.585 . 0 0 "[ . 1 . 2]" 1
291 1 9 CYS QB 1 27 TRP HA . . 5.340 3.955 3.915 4.107 . 0 0 "[ . 1 . 2]" 1
292 1 9 CYS QB 1 28 CYS H . . 5.340 3.712 3.647 3.882 . 0 0 "[ . 1 . 2]" 1
293 1 9 CYS QB 1 28 CYS HA . . 4.700 3.802 3.753 3.936 . 0 0 "[ . 1 . 2]" 1
294 1 9 CYS HB2 1 13 GLN QB . . 4.190 2.963 2.943 2.985 . 0 0 "[ . 1 . 2]" 1
295 1 9 CYS HB3 1 13 GLN QB . . 4.190 3.980 3.936 4.011 . 0 0 "[ . 1 . 2]" 1
296 1 10 SER H 1 10 SER HB2 . . 3.250 3.063 2.955 3.224 . 0 0 "[ . 1 . 2]" 1
297 1 10 SER H 1 10 SER HB3 . . 3.550 3.326 3.145 3.470 . 0 0 "[ . 1 . 2]" 1
298 1 10 SER H 1 11 ALA MB . . 5.500 5.502 5.498 5.505 0.005 14 0 "[ . 1 . 2]" 1
299 1 10 SER H 1 13 GLN H . . 3.280 3.101 3.093 3.108 . 0 0 "[ . 1 . 2]" 1
300 1 10 SER H 1 13 GLN QB . . 3.530 2.004 1.995 2.016 . 0 0 "[ . 1 . 2]" 1
301 1 10 SER H 1 13 GLN HE22 . . 4.930 4.845 4.827 4.863 . 0 0 "[ . 1 . 2]" 1
302 1 10 SER H 1 13 GLN HG2 . . 5.000 4.906 4.897 4.923 . 0 0 "[ . 1 . 2]" 1
303 1 10 SER H 1 13 GLN HG3 . . 4.910 4.351 4.337 4.374 . 0 0 "[ . 1 . 2]" 1
304 1 10 SER HA 1 11 ALA H . . 3.250 2.719 2.718 2.720 . 0 0 "[ . 1 . 2]" 1
305 1 10 SER HB3 1 11 ALA H . . 3.100 2.400 2.183 2.690 . 0 0 "[ . 1 . 2]" 1
306 1 10 SER HB3 1 11 ALA MB . . 4.670 3.947 3.741 4.189 . 0 0 "[ . 1 . 2]" 1
307 1 10 SER HB3 1 12 GLY H . . 3.290 2.223 2.159 2.374 . 0 0 "[ . 1 . 2]" 1
308 1 10 SER HB3 1 13 GLN H . . 5.020 2.999 2.898 3.128 . 0 0 "[ . 1 . 2]" 1
309 1 11 ALA H 1 11 ALA MB . . 2.710 2.135 2.049 2.236 . 0 0 "[ . 1 . 2]" 1
310 1 11 ALA H 1 12 GLY H . . 3.180 2.491 2.489 2.493 . 0 0 "[ . 1 . 2]" 1
311 1 11 ALA H 1 13 GLN H . . 4.000 4.005 4.004 4.007 0.007 13 0 "[ . 1 . 2]" 1
312 1 11 ALA H 1 13 GLN QB . . 4.960 4.489 4.480 4.498 . 0 0 "[ . 1 . 2]" 1
313 1 11 ALA HA 1 12 GLY H . . 3.490 3.447 3.444 3.451 . 0 0 "[ . 1 . 2]" 1
314 1 11 ALA MB 1 12 GLY H . . 3.380 2.976 2.931 3.023 . 0 0 "[ . 1 . 2]" 1
315 1 11 ALA MB 1 12 GLY QA . . 4.550 3.639 3.595 3.665 . 0 0 "[ . 1 . 2]" 1
316 1 11 ALA MB 1 13 GLN H . . 4.810 4.541 4.534 4.550 . 0 0 "[ . 1 . 2]" 1
317 1 12 GLY H 1 13 GLN H . . 3.130 2.309 2.299 2.321 . 0 0 "[ . 1 . 2]" 1
318 1 12 GLY H 1 13 GLN QB . . 4.660 3.616 3.609 3.624 . 0 0 "[ . 1 . 2]" 1
319 1 12 GLY H 1 13 GLN HG3 . . 5.260 4.242 4.209 4.252 . 0 0 "[ . 1 . 2]" 1
320 1 12 GLY QA 1 13 GLN H . . 2.960 2.863 2.860 2.865 . 0 0 "[ . 1 . 2]" 1
321 1 13 GLN H 1 13 GLN QB . . 3.000 2.292 2.289 2.297 . 0 0 "[ . 1 . 2]" 1
322 1 13 GLN H 1 13 GLN HE21 . . 5.500 5.298 5.292 5.302 . 0 0 "[ . 1 . 2]" 1
323 1 13 GLN H 1 13 GLN HG2 . . 4.540 4.371 4.368 4.377 . 0 0 "[ . 1 . 2]" 1
324 1 13 GLN H 1 13 GLN HG3 . . 3.660 3.661 3.645 3.664 0.004 17 0 "[ . 1 . 2]" 1
325 1 13 GLN HA 1 13 GLN HE21 . . 4.450 4.085 4.076 4.105 . 0 0 "[ . 1 . 2]" 1
326 1 13 GLN HA 1 13 GLN HE22 . . 5.500 5.488 5.482 5.503 0.003 13 0 "[ . 1 . 2]" 1
327 1 13 GLN HA 1 13 GLN HG2 . . 3.280 2.295 2.290 2.309 . 0 0 "[ . 1 . 2]" 1
328 1 13 GLN HA 1 13 GLN HG3 . . 3.310 2.793 2.781 2.799 . 0 0 "[ . 1 . 2]" 1
329 1 13 GLN HA 1 14 THR H . . 2.620 2.541 2.534 2.547 . 0 0 "[ . 1 . 2]" 1
330 1 13 GLN QB 1 13 GLN HE21 . . 4.170 1.934 1.933 1.935 . 0 0 "[ . 1 . 2]" 1
331 1 13 GLN QB 1 13 GLN HE22 . . 4.570 3.249 3.247 3.252 . 0 0 "[ . 1 . 2]" 1
332 1 13 GLN QB 1 14 THR H . . 3.080 2.237 2.223 2.247 . 0 0 "[ . 1 . 2]" 1
333 1 13 GLN QB 1 15 CYS H . . 5.500 5.499 5.492 5.504 0.004 9 0 "[ . 1 . 2]" 1
334 1 13 GLN HE21 1 13 GLN HG2 . . 3.060 2.667 2.665 2.670 . 0 0 "[ . 1 . 2]" 1
335 1 13 GLN HE21 1 14 THR H . . 4.920 3.099 3.078 3.149 . 0 0 "[ . 1 . 2]" 1
336 1 13 GLN HE22 1 13 GLN HG2 . . 3.760 3.663 3.662 3.665 . 0 0 "[ . 1 . 2]" 1
337 1 13 GLN HG2 1 14 THR H . . 4.130 3.043 3.030 3.063 . 0 0 "[ . 1 . 2]" 1
338 1 13 GLN HG3 1 14 THR H . . 4.380 4.312 4.299 4.323 . 0 0 "[ . 1 . 2]" 1
339 1 14 THR H 1 14 THR HB . . 3.070 3.079 3.077 3.081 0.011 14 0 "[ . 1 . 2]" 1
340 1 14 THR H 1 15 CYS H . . 4.500 4.435 4.432 4.436 . 0 0 "[ . 1 . 2]" 1
341 1 14 THR HA 1 14 THR MG . . 2.980 2.038 2.036 2.045 . 0 0 "[ . 1 . 2]" 1
342 1 14 THR HA 1 15 CYS H . . 2.510 2.442 2.436 2.444 . 0 0 "[ . 1 . 2]" 1
343 1 14 THR HA 1 15 CYS HB2 . . 4.760 4.559 4.543 4.569 . 0 0 "[ . 1 . 2]" 1
344 1 14 THR HB 1 15 CYS H . . 3.400 3.101 3.090 3.124 . 0 0 "[ . 1 . 2]" 1
345 1 14 THR HB 1 16 CYS H . . 5.500 5.516 5.513 5.518 0.018 12 0 "[ . 1 . 2]" 1
346 1 14 THR MG 1 15 CYS H . . 3.160 2.015 2.012 2.017 . 0 0 "[ . 1 . 2]" 1
347 1 14 THR MG 1 15 CYS HA . . 4.720 4.191 4.185 4.194 . 0 0 "[ . 1 . 2]" 1
348 1 14 THR MG 1 15 CYS HB2 . . 4.520 4.056 4.026 4.067 . 0 0 "[ . 1 . 2]" 1
349 1 14 THR MG 1 16 CYS H . . 5.250 5.122 5.110 5.128 . 0 0 "[ . 1 . 2]" 1
350 1 14 THR MG 1 16 CYS HA . . 4.900 4.805 4.796 4.811 . 0 0 "[ . 1 . 2]" 1
351 1 15 CYS H 1 15 CYS HB2 . . 2.910 2.626 2.603 2.637 . 0 0 "[ . 1 . 2]" 1
352 1 15 CYS H 1 15 CYS HB3 . . 3.840 3.770 3.757 3.776 . 0 0 "[ . 1 . 2]" 1
353 1 15 CYS H 1 19 LEU HB2 . . 5.500 5.511 5.508 5.512 0.012 12 0 "[ . 1 . 2]" 1
354 1 15 CYS HA 1 15 CYS HB3 . . 3.010 2.485 2.480 2.491 . 0 0 "[ . 1 . 2]" 1
355 1 15 CYS HA 1 16 CYS H . . 2.650 2.211 2.208 2.212 . 0 0 "[ . 1 . 2]" 1
356 1 15 CYS HA 1 16 CYS HB2 . . 4.740 4.677 4.667 4.684 . 0 0 "[ . 1 . 2]" 1
357 1 15 CYS HA 1 19 LEU HB2 . . 4.490 4.462 4.451 4.468 . 0 0 "[ . 1 . 2]" 1
358 1 15 CYS HA 1 19 LEU QD . . 4.160 4.041 4.017 4.060 . 0 0 "[ . 1 . 2]" 1
359 1 15 CYS HB2 1 16 CYS H . . 4.300 4.032 4.022 4.045 . 0 0 "[ . 1 . 2]" 1
360 1 15 CYS HB2 1 19 LEU H . . 5.210 4.966 4.945 4.981 . 0 0 "[ . 1 . 2]" 1
361 1 15 CYS HB2 1 19 LEU HA . . 5.400 5.240 5.221 5.254 . 0 0 "[ . 1 . 2]" 1
362 1 15 CYS HB2 1 19 LEU HB3 . . 3.900 3.797 3.774 3.817 . 0 0 "[ . 1 . 2]" 1
363 1 15 CYS HB2 1 19 LEU QD . . 4.400 4.245 4.214 4.268 . 0 0 "[ . 1 . 2]" 1
364 1 15 CYS HB2 1 20 VAL H . . 4.740 4.193 4.139 4.241 . 0 0 "[ . 1 . 2]" 1
365 1 15 CYS HB2 1 20 VAL HA . . 3.570 3.010 2.968 3.041 . 0 0 "[ . 1 . 2]" 1
366 1 15 CYS HB2 1 20 VAL QG . . 4.990 4.325 4.275 4.369 . 0 0 "[ . 1 . 2]" 1
367 1 15 CYS HB2 1 29 VAL H . . 5.480 5.472 5.462 5.482 0.002 19 0 "[ . 1 . 2]" 1
368 1 15 CYS HB3 1 16 CYS H . . 3.160 2.978 2.975 2.987 . 0 0 "[ . 1 . 2]" 1
369 1 15 CYS HB3 1 19 LEU H . . 4.960 4.881 4.852 4.898 . 0 0 "[ . 1 . 2]" 1
370 1 15 CYS HB3 1 19 LEU HA . . 4.860 4.734 4.714 4.744 . 0 0 "[ . 1 . 2]" 1
371 1 15 CYS HB3 1 19 LEU HB2 . . 2.820 2.492 2.478 2.508 . 0 0 "[ . 1 . 2]" 1
372 1 15 CYS HB3 1 19 LEU HB3 . . 3.070 2.666 2.657 2.675 . 0 0 "[ . 1 . 2]" 1
373 1 15 CYS HB3 1 19 LEU QD . . 3.540 3.011 2.995 3.027 . 0 0 "[ . 1 . 2]" 1
374 1 15 CYS HB3 1 20 VAL H . . 4.240 4.025 3.953 4.076 . 0 0 "[ . 1 . 2]" 1
375 1 15 CYS HB3 1 20 VAL HA . . 4.270 4.112 4.061 4.138 . 0 0 "[ . 1 . 2]" 1
376 1 15 CYS HB3 1 20 VAL QG . . 5.440 4.835 4.800 4.865 . 0 0 "[ . 1 . 2]" 1
377 1 15 CYS HB3 1 29 VAL H . . 5.000 5.005 5.002 5.008 0.008 13 0 "[ . 1 . 2]" 1
378 1 16 CYS H 1 16 CYS HB2 . . 3.010 2.498 2.490 2.505 . 0 0 "[ . 1 . 2]" 1
379 1 16 CYS H 1 16 CYS HB3 . . 3.790 3.589 3.588 3.590 . 0 0 "[ . 1 . 2]" 1
380 1 16 CYS H 1 17 LYS H . . 4.840 4.609 4.607 4.614 . 0 0 "[ . 1 . 2]" 1
381 1 16 CYS H 1 19 LEU HB2 . . 3.880 3.602 3.596 3.608 . 0 0 "[ . 1 . 2]" 1
382 1 16 CYS H 1 19 LEU HB3 . . 4.620 4.622 4.619 4.625 0.005 7 0 "[ . 1 . 2]" 1
383 1 16 CYS H 1 19 LEU QD . . 3.040 2.743 2.694 2.777 . 0 0 "[ . 1 . 2]" 1
384 1 16 CYS H 1 28 CYS HB2 . . 5.330 5.210 5.193 5.228 . 0 0 "[ . 1 . 2]" 1
385 1 16 CYS H 1 28 CYS HB3 . . 4.930 4.611 4.595 4.630 . 0 0 "[ . 1 . 2]" 1
386 1 16 CYS HA 1 16 CYS HB3 . . 2.960 2.503 2.498 2.509 . 0 0 "[ . 1 . 2]" 1
387 1 16 CYS HA 1 17 LYS H . . 2.770 2.525 2.513 2.530 . 0 0 "[ . 1 . 2]" 1
388 1 16 CYS HA 1 17 LYS HA . . 4.760 4.302 4.301 4.303 . 0 0 "[ . 1 . 2]" 1
389 1 16 CYS HA 1 17 LYS HB2 . . 4.660 4.543 4.507 4.631 . 0 0 "[ . 1 . 2]" 1
390 1 16 CYS HA 1 17 LYS HB3 . . 5.500 5.299 5.149 5.378 . 0 0 "[ . 1 . 2]" 1
391 1 16 CYS HA 1 19 LEU QD . . 4.470 4.000 3.965 4.016 . 0 0 "[ . 1 . 2]" 1
392 1 16 CYS HB2 1 17 LYS H . . 3.580 3.429 3.411 3.460 . 0 0 "[ . 1 . 2]" 1
393 1 16 CYS HB2 1 19 LEU H . . 5.480 5.382 5.365 5.395 . 0 0 "[ . 1 . 2]" 1
394 1 16 CYS HB2 1 19 LEU QD . . 2.870 1.929 1.911 1.940 . 0 0 "[ . 1 . 2]" 1
395 1 16 CYS HB2 1 19 LEU HG . . 4.550 4.241 4.218 4.271 . 0 0 "[ . 1 . 2]" 1
396 1 16 CYS HB3 1 17 LYS H . . 2.670 2.169 2.161 2.190 . 0 0 "[ . 1 . 2]" 1
397 1 16 CYS HB3 1 17 LYS HA . . 4.670 4.667 4.660 4.672 0.002 19 0 "[ . 1 . 2]" 1
398 1 16 CYS HB3 1 17 LYS HB2 . . 4.510 4.302 4.215 4.470 . 0 0 "[ . 1 . 2]" 1
399 1 16 CYS HB3 1 17 LYS HB3 . . 4.790 4.281 4.126 4.366 . 0 0 "[ . 1 . 2]" 1
400 1 16 CYS HB3 1 19 LEU QD . . 3.380 3.047 3.007 3.099 . 0 0 "[ . 1 . 2]" 1
401 1 16 CYS HB3 1 19 LEU HG . . 5.400 5.232 5.192 5.271 . 0 0 "[ . 1 . 2]" 1
402 1 17 LYS H 1 17 LYS HB2 . . 2.690 2.285 2.221 2.422 . 0 0 "[ . 1 . 2]" 1
403 1 17 LYS H 1 17 LYS HB3 . . 2.900 2.788 2.626 2.873 . 0 0 "[ . 1 . 2]" 1
404 1 17 LYS H 1 17 LYS QG . . 4.510 3.978 3.901 4.044 . 0 0 "[ . 1 . 2]" 1
405 1 17 LYS H 1 18 HIS H . . 4.850 4.641 4.640 4.642 . 0 0 "[ . 1 . 2]" 1
406 1 17 LYS H 1 19 LEU QD . . 4.290 3.926 3.886 3.969 . 0 0 "[ . 1 . 2]" 1
407 1 17 LYS HA 1 17 LYS QE . . 5.500 3.747 2.509 4.668 . 0 0 "[ . 1 . 2]" 1
408 1 17 LYS HA 1 17 LYS HG2 . . 4.070 3.446 3.047 3.668 . 0 0 "[ . 1 . 2]" 1
409 1 17 LYS HA 1 17 LYS QG . . 3.370 2.261 2.190 2.559 . 0 0 "[ . 1 . 2]" 1
410 1 17 LYS HA 1 17 LYS HG3 . . 4.070 2.294 2.224 2.612 . 0 0 "[ . 1 . 2]" 1
411 1 17 LYS HA 1 18 HIS H . . 2.400 2.334 2.322 2.338 . 0 0 "[ . 1 . 2]" 1
412 1 17 LYS HA 1 18 HIS HD2 . . 4.890 4.862 4.686 4.893 0.003 12 0 "[ . 1 . 2]" 1
413 1 17 LYS HA 1 19 LEU H . . 3.410 3.184 3.180 3.194 . 0 0 "[ . 1 . 2]" 1
414 1 17 LYS HB2 1 18 HIS H . . 4.090 4.033 3.948 4.073 . 0 0 "[ . 1 . 2]" 1
415 1 17 LYS HB2 1 18 HIS HD2 . . 5.290 5.212 5.113 5.290 . 0 0 "[ . 1 . 2]" 1
416 1 17 LYS HB2 1 19 LEU H . . 5.500 5.498 5.472 5.509 0.009 2 0 "[ . 1 . 2]" 1
417 1 17 LYS HB3 1 18 HIS H . . 3.730 3.494 3.406 3.642 . 0 0 "[ . 1 . 2]" 1
418 1 17 LYS HB3 1 18 HIS HD2 . . 4.360 4.082 3.802 4.316 . 0 0 "[ . 1 . 2]" 1
419 1 17 LYS HB3 1 19 LEU H . . 5.200 5.061 5.010 5.150 . 0 0 "[ . 1 . 2]" 1
420 1 17 LYS QG 1 18 HIS H . . 3.170 2.034 1.930 2.206 . 0 0 "[ . 1 . 2]" 1
421 1 17 LYS QG 1 18 HIS QB . . 4.860 3.574 3.149 4.079 . 0 0 "[ . 1 . 2]" 1
422 1 17 LYS HG2 1 18 HIS H . . 3.660 2.952 2.315 3.656 . 0 0 "[ . 1 . 2]" 1
423 1 17 LYS HG2 1 18 HIS HD2 . . 4.160 2.636 2.257 3.508 . 0 0 "[ . 1 . 2]" 1
424 1 17 LYS HG3 1 18 HIS H . . 3.660 2.118 1.949 2.721 . 0 0 "[ . 1 . 2]" 1
425 1 17 LYS HG3 1 18 HIS HD2 . . 4.160 3.294 2.609 3.984 . 0 0 "[ . 1 . 2]" 1
426 1 18 HIS H 1 18 HIS HA . . 2.580 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
427 1 18 HIS H 1 18 HIS QB . . 3.660 3.173 3.130 3.414 . 0 0 "[ . 1 . 2]" 1
428 1 18 HIS H 1 19 LEU H . . 2.950 2.624 2.610 2.628 . 0 0 "[ . 1 . 2]" 1
429 1 18 HIS H 1 19 LEU HA . . 5.500 5.245 5.232 5.248 . 0 0 "[ . 1 . 2]" 1
430 1 18 HIS H 1 19 LEU HB2 . . 5.260 5.116 5.101 5.124 . 0 0 "[ . 1 . 2]" 1
431 1 18 HIS H 1 19 LEU QD . . 5.160 4.859 4.840 4.876 . 0 0 "[ . 1 . 2]" 1
432 1 18 HIS H 1 31 ASP HB2 . . 5.500 4.685 4.606 4.853 . 0 0 "[ . 1 . 2]" 1
433 1 18 HIS H 1 31 ASP HB3 . . 5.210 4.095 4.007 4.175 . 0 0 "[ . 1 . 2]" 1
434 1 18 HIS HA 1 18 HIS HD2 . . 3.780 2.925 2.587 3.122 . 0 0 "[ . 1 . 2]" 1
435 1 18 HIS HA 1 19 LEU H . . 3.410 3.033 3.028 3.041 . 0 0 "[ . 1 . 2]" 1
436 1 18 HIS HA 1 19 LEU QD . . 5.500 4.774 4.767 4.782 . 0 0 "[ . 1 . 2]" 1
437 1 18 HIS HA 1 30 TRP HE3 . . 4.970 4.882 4.859 4.906 . 0 0 "[ . 1 . 2]" 1
438 1 18 HIS HA 1 31 ASP H . . 4.990 3.813 3.701 3.920 . 0 0 "[ . 1 . 2]" 1
439 1 18 HIS HA 1 31 ASP HB2 . . 4.660 3.722 3.635 3.915 . 0 0 "[ . 1 . 2]" 1
440 1 18 HIS HA 1 31 ASP HB3 . . 4.420 2.506 2.424 2.557 . 0 0 "[ . 1 . 2]" 1
441 1 18 HIS QB 1 18 HIS HD2 . . 3.210 3.060 2.985 3.211 0.001 2 0 "[ . 1 . 2]" 1
442 1 18 HIS QB 1 19 LEU HA . . 5.190 4.360 4.354 4.388 . 0 0 "[ . 1 . 2]" 1
443 1 18 HIS QB 1 19 LEU QD . . 4.220 3.457 3.417 3.473 . 0 0 "[ . 1 . 2]" 1
444 1 18 HIS QB 1 19 LEU HG . . 4.370 3.097 2.976 3.124 . 0 0 "[ . 1 . 2]" 1
445 1 18 HIS QB 1 30 TRP HA . . 5.140 4.441 4.397 4.560 . 0 0 "[ . 1 . 2]" 1
446 1 18 HIS QB 1 30 TRP HE3 . . 3.320 3.067 2.991 3.276 . 0 0 "[ . 1 . 2]" 1
447 1 18 HIS QB 1 30 TRP HZ3 . . 3.380 3.057 2.935 3.175 . 0 0 "[ . 1 . 2]" 1
448 1 18 HIS QB 1 31 ASP H . . 4.120 3.907 3.798 4.008 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU H 1 19 LEU HB2 . . 2.980 2.797 2.792 2.801 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU H 1 19 LEU HB3 . . 3.960 3.868 3.864 3.869 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU H 1 19 LEU QD . . 3.700 3.600 3.590 3.607 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU H 1 19 LEU HG . . 3.300 3.230 3.217 3.242 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU H 1 20 VAL H . . 4.410 4.413 4.407 4.418 0.008 20 0 "[ . 1 . 2]" 1
454 1 19 LEU H 1 30 TRP HA . . 5.440 5.286 5.238 5.329 . 0 0 "[ . 1 . 2]" 1
455 1 19 LEU H 1 31 ASP H . . 4.070 3.979 3.899 4.057 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU HA 1 19 LEU QD . . 4.000 2.476 2.459 2.499 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU HA 1 19 LEU HG . . 3.250 2.826 2.811 2.840 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU HA 1 20 VAL H . . 2.690 2.355 2.334 2.378 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU HA 1 20 VAL HA . . 5.500 4.471 4.459 4.485 . 0 0 "[ . 1 . 2]" 1
460 1 19 LEU HA 1 20 VAL QG . . 3.880 3.169 3.111 3.222 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU HA 1 28 CYS HB3 . . 5.260 4.628 4.605 4.648 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU HA 1 29 VAL H . . 4.810 4.556 4.532 4.574 . 0 0 "[ . 1 . 2]" 1
463 1 19 LEU HA 1 29 VAL MG2 . . 5.000 4.478 4.461 4.498 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU HA 1 30 TRP H . . 5.080 4.775 4.733 4.816 . 0 0 "[ . 1 . 2]" 1
465 1 19 LEU HA 1 30 TRP HA . . 3.610 2.800 2.755 2.838 . 0 0 "[ . 1 . 2]" 1
466 1 19 LEU HA 1 30 TRP HB3 . . 5.310 5.065 5.012 5.109 . 0 0 "[ . 1 . 2]" 1
467 1 19 LEU HA 1 30 TRP HE3 . . 3.990 3.656 3.626 3.694 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU HA 1 30 TRP HZ3 . . 5.360 5.085 5.068 5.105 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU HA 1 31 ASP H . . 3.080 2.159 1.991 2.336 . 0 0 "[ . 1 . 2]" 1
470 1 19 LEU HA 1 31 ASP HA . . 5.500 3.979 3.895 4.053 . 0 0 "[ . 1 . 2]" 1
471 1 19 LEU HA 1 31 ASP HB2 . . 4.330 2.684 2.592 2.776 . 0 0 "[ . 1 . 2]" 1
472 1 19 LEU HA 1 31 ASP HB3 . . 4.080 3.618 3.440 3.707 . 0 0 "[ . 1 . 2]" 1
473 1 19 LEU HB2 1 19 LEU QD . . 2.940 2.044 1.971 2.090 . 0 0 "[ . 1 . 2]" 1
474 1 19 LEU HB2 1 20 VAL H . . 4.010 3.680 3.634 3.720 . 0 0 "[ . 1 . 2]" 1
475 1 19 LEU HB2 1 28 CYS HB2 . . 5.110 4.931 4.898 4.963 . 0 0 "[ . 1 . 2]" 1
476 1 19 LEU HB2 1 28 CYS HB3 . . 3.690 3.553 3.542 3.565 . 0 0 "[ . 1 . 2]" 1
477 1 19 LEU HB2 1 29 VAL H . . 5.500 5.507 5.504 5.511 0.011 6 0 "[ . 1 . 2]" 1
478 1 19 LEU HB2 1 30 TRP HA . . 5.500 5.302 5.286 5.322 . 0 0 "[ . 1 . 2]" 1
479 1 19 LEU HB2 1 30 TRP HE3 . . 5.500 5.395 5.364 5.431 . 0 0 "[ . 1 . 2]" 1
480 1 19 LEU HB2 1 30 TRP HZ3 . . 5.500 5.482 5.437 5.502 0.002 10 0 "[ . 1 . 2]" 1
481 1 19 LEU HB3 1 19 LEU QD . . 3.170 2.039 2.028 2.047 . 0 0 "[ . 1 . 2]" 1
482 1 19 LEU HB3 1 20 VAL H . . 3.070 2.531 2.476 2.584 . 0 0 "[ . 1 . 2]" 1
483 1 19 LEU HB3 1 20 VAL HA . . 4.780 4.387 4.361 4.412 . 0 0 "[ . 1 . 2]" 1
484 1 19 LEU HB3 1 28 CYS HA . . 4.380 4.185 4.172 4.206 . 0 0 "[ . 1 . 2]" 1
485 1 19 LEU HB3 1 28 CYS HB2 . . 3.870 3.790 3.750 3.827 . 0 0 "[ . 1 . 2]" 1
486 1 19 LEU HB3 1 28 CYS HB3 . . 3.020 2.364 2.348 2.381 . 0 0 "[ . 1 . 2]" 1
487 1 19 LEU HB3 1 29 VAL H . . 4.030 3.878 3.872 3.884 . 0 0 "[ . 1 . 2]" 1
488 1 19 LEU HB3 1 30 TRP HA . . 4.640 4.344 4.325 4.357 . 0 0 "[ . 1 . 2]" 1
489 1 19 LEU HB3 1 31 ASP H . . 4.760 4.544 4.382 4.723 . 0 0 "[ . 1 . 2]" 1
490 1 19 LEU QD 1 20 VAL H . . 4.420 3.422 3.398 3.441 . 0 0 "[ . 1 . 2]" 1
491 1 19 LEU QD 1 28 CYS H . . 5.190 5.038 5.014 5.066 . 0 0 "[ . 1 . 2]" 1
492 1 19 LEU QD 1 28 CYS HB2 . . 3.820 3.205 3.174 3.245 . 0 0 "[ . 1 . 2]" 1
493 1 19 LEU QD 1 28 CYS HB3 . . 3.430 2.825 2.797 2.849 . 0 0 "[ . 1 . 2]" 1
494 1 19 LEU QD 1 29 VAL H . . 4.910 3.924 3.907 3.940 . 0 0 "[ . 1 . 2]" 1
495 1 19 LEU QD 1 30 TRP HA . . 4.370 2.095 2.037 2.152 . 0 0 "[ . 1 . 2]" 1
496 1 19 LEU QD 1 30 TRP HE3 . . 4.140 2.282 2.256 2.326 . 0 0 "[ . 1 . 2]" 1
497 1 19 LEU QD 1 30 TRP HZ3 . . 2.980 2.519 2.462 2.579 . 0 0 "[ . 1 . 2]" 1
498 1 19 LEU HG 1 20 VAL H . . 5.150 4.730 4.708 4.750 . 0 0 "[ . 1 . 2]" 1
499 1 19 LEU HG 1 30 TRP HA . . 3.930 3.781 3.744 3.830 . 0 0 "[ . 1 . 2]" 1
500 1 19 LEU HG 1 30 TRP HE3 . . 3.360 3.056 3.014 3.111 . 0 0 "[ . 1 . 2]" 1
501 1 19 LEU HG 1 30 TRP HZ3 . . 3.390 2.898 2.849 2.919 . 0 0 "[ . 1 . 2]" 1
502 1 19 LEU HG 1 31 ASP H . . 4.360 3.935 3.870 4.006 . 0 0 "[ . 1 . 2]" 1
503 1 20 VAL H 1 20 VAL HB . . 3.910 3.837 3.820 3.856 . 0 0 "[ . 1 . 2]" 1
504 1 20 VAL H 1 20 VAL QG . . 2.770 2.075 2.036 2.125 . 0 0 "[ . 1 . 2]" 1
505 1 20 VAL H 1 21 CYS H . . 4.860 4.357 4.336 4.379 . 0 0 "[ . 1 . 2]" 1
506 1 20 VAL H 1 21 CYS HA . . 5.350 4.835 4.803 4.865 . 0 0 "[ . 1 . 2]" 1
507 1 20 VAL H 1 22 SER H . . 5.340 4.930 4.905 4.963 . 0 0 "[ . 1 . 2]" 1
508 1 20 VAL H 1 28 CYS HA . . 4.310 3.848 3.797 3.906 . 0 0 "[ . 1 . 2]" 1
509 1 20 VAL H 1 28 CYS HB2 . . 5.420 5.155 5.079 5.235 . 0 0 "[ . 1 . 2]" 1
510 1 20 VAL H 1 28 CYS HB3 . . 3.770 3.592 3.508 3.670 . 0 0 "[ . 1 . 2]" 1
511 1 20 VAL H 1 29 VAL H . . 3.380 2.668 2.636 2.704 . 0 0 "[ . 1 . 2]" 1
512 1 20 VAL H 1 29 VAL MG1 . . 5.500 4.959 4.937 4.977 . 0 0 "[ . 1 . 2]" 1
513 1 20 VAL H 1 29 VAL MG2 . . 3.460 3.154 3.134 3.175 . 0 0 "[ . 1 . 2]" 1
514 1 20 VAL H 1 30 TRP H . . 5.250 4.977 4.951 5.000 . 0 0 "[ . 1 . 2]" 1
515 1 20 VAL H 1 30 TRP HA . . 4.430 4.278 4.263 4.291 . 0 0 "[ . 1 . 2]" 1
516 1 20 VAL H 1 31 ASP H . . 4.190 3.946 3.755 4.183 . 0 0 "[ . 1 . 2]" 1
517 1 20 VAL H 1 31 ASP HB2 . . 4.650 3.562 3.402 3.691 . 0 0 "[ . 1 . 2]" 1
518 1 20 VAL HA 1 20 VAL HB . . 2.880 2.523 2.504 2.542 . 0 0 "[ . 1 . 2]" 1
519 1 20 VAL HA 1 20 VAL QG . . 2.850 2.221 2.133 2.291 . 0 0 "[ . 1 . 2]" 1
520 1 20 VAL HA 1 21 CYS H . . 2.530 2.222 2.216 2.229 . 0 0 "[ . 1 . 2]" 1
521 1 20 VAL HA 1 21 CYS QB . . 4.580 4.110 4.108 4.111 . 0 0 "[ . 1 . 2]" 1
522 1 20 VAL HA 1 29 VAL H . . 4.880 4.687 4.668 4.707 . 0 0 "[ . 1 . 2]" 1
523 1 20 VAL HB 1 21 CYS H . . 2.990 2.900 2.868 2.920 . 0 0 "[ . 1 . 2]" 1
524 1 20 VAL HB 1 29 VAL H . . 5.330 4.844 4.796 4.907 . 0 0 "[ . 1 . 2]" 1
525 1 20 VAL HB 1 29 VAL MG2 . . 4.660 3.835 3.791 3.881 . 0 0 "[ . 1 . 2]" 1
526 1 20 VAL HB 1 31 ASP HB2 . . 4.990 4.806 4.606 4.886 . 0 0 "[ . 1 . 2]" 1
527 1 20 VAL QG 1 21 CYS H . . 3.490 3.368 3.345 3.402 . 0 0 "[ . 1 . 2]" 1
528 1 20 VAL QG 1 21 CYS HA . . 4.660 4.380 4.324 4.423 . 0 0 "[ . 1 . 2]" 1
529 1 20 VAL QG 1 21 CYS HB2 . . 5.500 5.245 5.231 5.254 . 0 0 "[ . 1 . 2]" 1
530 1 20 VAL QG 1 21 CYS QB . . 4.800 4.479 4.465 4.490 . 0 0 "[ . 1 . 2]" 1
531 1 20 VAL QG 1 21 CYS HB3 . . 5.500 4.861 4.845 4.876 . 0 0 "[ . 1 . 2]" 1
532 1 20 VAL QG 1 22 SER H . . 4.360 3.923 3.797 4.021 . 0 0 "[ . 1 . 2]" 1
533 1 20 VAL QG 1 22 SER HB2 . . 4.550 3.633 3.494 3.763 . 0 0 "[ . 1 . 2]" 1
534 1 20 VAL QG 1 23 ARG H . . 5.490 5.443 5.356 5.494 0.004 11 0 "[ . 1 . 2]" 1
535 1 20 VAL QG 1 28 CYS HA . . 4.810 4.184 4.147 4.239 . 0 0 "[ . 1 . 2]" 1
536 1 20 VAL QG 1 29 VAL H . . 3.700 2.816 2.704 2.957 . 0 0 "[ . 1 . 2]" 1
537 1 20 VAL QG 1 29 VAL HA . . 4.880 4.409 4.350 4.477 . 0 0 "[ . 1 . 2]" 1
538 1 20 VAL QG 1 30 TRP H . . 5.260 4.458 4.417 4.501 . 0 0 "[ . 1 . 2]" 1
539 1 20 VAL QG 1 30 TRP HA . . 5.160 4.247 4.219 4.271 . 0 0 "[ . 1 . 2]" 1
540 1 20 VAL QG 1 30 TRP HE3 . . 5.500 5.515 5.511 5.518 0.018 14 0 "[ . 1 . 2]" 1
541 1 20 VAL QG 1 31 ASP H . . 3.810 3.474 3.369 3.590 . 0 0 "[ . 1 . 2]" 1
542 1 20 VAL QG 1 31 ASP HA . . 3.120 2.239 1.982 2.472 . 0 0 "[ . 1 . 2]" 1
543 1 20 VAL QG 1 31 ASP HB2 . . 3.240 1.961 1.928 2.002 . 0 0 "[ . 1 . 2]" 1
544 1 20 VAL QG 1 31 ASP HB3 . . 3.420 3.292 3.235 3.346 . 0 0 "[ . 1 . 2]" 1
545 1 20 VAL QG 1 32 GLY H . . 4.050 3.475 3.271 3.672 . 0 0 "[ . 1 . 2]" 1
546 1 20 VAL QG 1 34 PHE QD . . 4.320 2.675 2.153 2.882 . 0 0 "[ . 1 . 2]" 1
547 1 20 VAL QG 1 34 PHE QE . . 4.320 2.548 2.426 2.762 . 0 0 "[ . 1 . 2]" 1
548 1 21 CYS H 1 21 CYS HB2 . . 2.860 2.701 2.694 2.709 . 0 0 "[ . 1 . 2]" 1
549 1 21 CYS H 1 21 CYS HB3 . . 2.860 2.387 2.384 2.390 . 0 0 "[ . 1 . 2]" 1
550 1 21 CYS H 1 22 SER H . . 4.680 4.220 4.214 4.236 . 0 0 "[ . 1 . 2]" 1
551 1 21 CYS H 1 29 VAL MG2 . . 5.170 4.909 4.897 4.919 . 0 0 "[ . 1 . 2]" 1
552 1 21 CYS HA 1 22 SER H . . 2.620 2.211 2.205 2.213 . 0 0 "[ . 1 . 2]" 1
553 1 21 CYS HA 1 22 SER HB2 . . 5.500 4.521 4.511 4.527 . 0 0 "[ . 1 . 2]" 1
554 1 21 CYS HA 1 22 SER HB3 . . 5.100 4.894 4.883 4.902 . 0 0 "[ . 1 . 2]" 1
555 1 21 CYS HA 1 27 TRP H . . 5.500 5.353 5.342 5.364 . 0 0 "[ . 1 . 2]" 1
556 1 21 CYS HA 1 27 TRP HA . . 5.500 5.000 4.984 5.013 . 0 0 "[ . 1 . 2]" 1
557 1 21 CYS HA 1 28 CYS H . . 4.790 4.435 4.420 4.450 . 0 0 "[ . 1 . 2]" 1
558 1 21 CYS HA 1 28 CYS HA . . 5.290 2.542 2.527 2.554 . 0 0 "[ . 1 . 2]" 1
559 1 21 CYS HA 1 28 CYS HB3 . . 4.510 4.238 4.213 4.267 . 0 0 "[ . 1 . 2]" 1
560 1 21 CYS HA 1 29 VAL H . . 4.170 3.917 3.900 3.927 . 0 0 "[ . 1 . 2]" 1
561 1 21 CYS HB2 1 22 SER H . . 4.690 4.471 4.462 4.474 . 0 0 "[ . 1 . 2]" 1
562 1 21 CYS HB3 1 22 SER H . . 4.690 4.507 4.503 4.509 . 0 0 "[ . 1 . 2]" 1
563 1 22 SER H 1 22 SER HB2 . . 3.050 2.379 2.376 2.385 . 0 0 "[ . 1 . 2]" 1
564 1 22 SER H 1 22 SER HB3 . . 2.870 2.756 2.749 2.760 . 0 0 "[ . 1 . 2]" 1
565 1 22 SER H 1 27 TRP H . . 3.840 3.847 3.845 3.849 0.009 19 0 "[ . 1 . 2]" 1
566 1 22 SER H 1 28 CYS HA . . 3.480 2.510 2.494 2.530 . 0 0 "[ . 1 . 2]" 1
567 1 22 SER H 1 28 CYS HB3 . . 5.240 4.893 4.872 4.916 . 0 0 "[ . 1 . 2]" 1
568 1 22 SER H 1 29 VAL H . . 3.910 3.050 3.040 3.060 . 0 0 "[ . 1 . 2]" 1
569 1 22 SER H 1 29 VAL HA . . 5.500 5.519 5.516 5.522 0.022 19 0 "[ . 1 . 2]" 1
570 1 22 SER H 1 29 VAL MG1 . . 3.740 3.725 3.691 3.741 0.001 1 0 "[ . 1 . 2]" 1
571 1 22 SER H 1 29 VAL MG2 . . 3.400 3.049 3.030 3.066 . 0 0 "[ . 1 . 2]" 1
572 1 22 SER HA 1 23 ARG H . . 2.590 2.185 2.176 2.202 . 0 0 "[ . 1 . 2]" 1
573 1 22 SER HA 1 23 ARG HA . . 4.720 4.451 4.443 4.468 . 0 0 "[ . 1 . 2]" 1
574 1 22 SER HA 1 23 ARG QB . . 4.720 4.427 4.310 4.556 . 0 0 "[ . 1 . 2]" 1
575 1 22 SER HA 1 23 ARG QG . . 5.310 4.020 3.715 4.322 . 0 0 "[ . 1 . 2]" 1
576 1 22 SER HA 1 24 ARG H . . 3.890 3.334 3.290 3.378 . 0 0 "[ . 1 . 2]" 1
577 1 22 SER HA 1 25 HIS H . . 4.800 4.108 4.049 4.168 . 0 0 "[ . 1 . 2]" 1
578 1 22 SER HA 1 25 HIS HB2 . . 5.030 4.529 4.514 4.544 . 0 0 "[ . 1 . 2]" 1
579 1 22 SER HA 1 27 TRP H . . 5.090 5.019 5.009 5.033 . 0 0 "[ . 1 . 2]" 1
580 1 22 SER HA 1 29 VAL MG1 . . 5.300 4.240 4.192 4.278 . 0 0 "[ . 1 . 2]" 1
581 1 22 SER HA 1 29 VAL MG2 . . 3.780 3.390 3.369 3.407 . 0 0 "[ . 1 . 2]" 1
582 1 22 SER HB2 1 23 ARG H . . 4.840 4.580 4.570 4.595 . 0 0 "[ . 1 . 2]" 1
583 1 22 SER HB2 1 24 ARG H . . 5.370 4.820 4.754 4.878 . 0 0 "[ . 1 . 2]" 1
584 1 22 SER HB2 1 25 HIS HD2 . . 4.470 4.197 4.160 4.241 . 0 0 "[ . 1 . 2]" 1
585 1 22 SER HB2 1 27 TRP H . . 4.150 3.995 3.966 4.033 . 0 0 "[ . 1 . 2]" 1
586 1 22 SER HB2 1 27 TRP HE1 . . 5.020 5.028 5.023 5.032 0.012 12 0 "[ . 1 . 2]" 1
587 1 22 SER HB2 1 29 VAL H . . 4.710 3.120 3.100 3.138 . 0 0 "[ . 1 . 2]" 1
588 1 22 SER HB2 1 29 VAL HB . . 4.170 4.094 4.090 4.100 . 0 0 "[ . 1 . 2]" 1
589 1 22 SER HB2 1 29 VAL MG1 . . 2.970 2.103 2.008 2.174 . 0 0 "[ . 1 . 2]" 1
590 1 22 SER HB2 1 29 VAL MG2 . . 3.060 1.922 1.916 1.926 . 0 0 "[ . 1 . 2]" 1
591 1 22 SER HB2 1 34 PHE HB3 . . 5.500 5.222 4.929 5.493 . 0 0 "[ . 1 . 2]" 1
592 1 22 SER HB3 1 23 ARG H . . 4.340 4.308 4.292 4.334 . 0 0 "[ . 1 . 2]" 1
593 1 22 SER HB3 1 25 HIS H . . 3.270 2.913 2.836 2.988 . 0 0 "[ . 1 . 2]" 1
594 1 22 SER HB3 1 25 HIS HB2 . . 3.210 1.992 1.990 1.994 . 0 0 "[ . 1 . 2]" 1
595 1 22 SER HB3 1 25 HIS HB3 . . 4.200 3.403 3.379 3.429 . 0 0 "[ . 1 . 2]" 1
596 1 22 SER HB3 1 25 HIS HD2 . . 4.140 4.018 4.004 4.043 . 0 0 "[ . 1 . 2]" 1
597 1 22 SER HB3 1 27 TRP H . . 2.910 2.451 2.421 2.491 . 0 0 "[ . 1 . 2]" 1
598 1 22 SER HB3 1 27 TRP HA . . 5.180 4.792 4.767 4.822 . 0 0 "[ . 1 . 2]" 1
599 1 22 SER HB3 1 27 TRP HE1 . . 5.050 4.785 4.759 4.817 . 0 0 "[ . 1 . 2]" 1
600 1 22 SER HB3 1 28 CYS H . . 5.500 5.374 5.362 5.387 . 0 0 "[ . 1 . 2]" 1
601 1 22 SER HB3 1 28 CYS HA . . 5.450 4.475 4.464 4.487 . 0 0 "[ . 1 . 2]" 1
602 1 22 SER HB3 1 29 VAL H . . 5.050 4.390 4.377 4.401 . 0 0 "[ . 1 . 2]" 1
603 1 22 SER HB3 1 29 VAL MG2 . . 3.680 3.406 3.400 3.411 . 0 0 "[ . 1 . 2]" 1
604 1 23 ARG H 1 23 ARG QB . . 2.640 2.460 2.329 2.612 . 0 0 "[ . 1 . 2]" 1
605 1 23 ARG H 1 23 ARG HG2 . . 3.700 3.406 2.964 3.701 0.001 19 0 "[ . 1 . 2]" 1
606 1 23 ARG H 1 23 ARG QG . . 3.230 2.293 1.959 2.588 . 0 0 "[ . 1 . 2]" 1
607 1 23 ARG H 1 23 ARG HG3 . . 3.700 2.347 1.985 2.771 . 0 0 "[ . 1 . 2]" 1
608 1 23 ARG H 1 24 ARG H . . 3.050 2.550 2.524 2.602 . 0 0 "[ . 1 . 2]" 1
609 1 23 ARG H 1 24 ARG HB2 . . 4.780 4.594 4.495 4.708 . 0 0 "[ . 1 . 2]" 1
610 1 23 ARG H 1 24 ARG QG . . 4.710 4.444 4.274 4.582 . 0 0 "[ . 1 . 2]" 1
611 1 23 ARG H 1 25 HIS H . . 4.890 4.405 4.322 4.577 . 0 0 "[ . 1 . 2]" 1
612 1 23 ARG H 1 29 VAL MG2 . . 5.330 5.227 5.211 5.240 . 0 0 "[ . 1 . 2]" 1
613 1 23 ARG HA 1 23 ARG QB . . 2.530 2.360 2.292 2.420 . 0 0 "[ . 1 . 2]" 1
614 1 23 ARG HA 1 23 ARG QD . . 4.090 3.989 3.872 4.094 0.004 19 0 "[ . 1 . 2]" 1
615 1 23 ARG HA 1 23 ARG HG2 . . 3.530 2.693 2.270 3.484 . 0 0 "[ . 1 . 2]" 1
616 1 23 ARG HA 1 23 ARG HG3 . . 3.530 3.057 2.596 3.492 . 0 0 "[ . 1 . 2]" 1
617 1 23 ARG HA 1 25 HIS H . . 5.000 4.778 4.624 5.001 0.001 6 0 "[ . 1 . 2]" 1
618 1 23 ARG QB 1 23 ARG QD . . 3.400 2.108 1.980 2.228 . 0 0 "[ . 1 . 2]" 1
619 1 23 ARG QB 1 23 ARG HE . . 4.590 3.430 2.612 4.239 . 0 0 "[ . 1 . 2]" 1
620 1 23 ARG QB 1 23 ARG QG . . 2.270 2.065 2.022 2.087 . 0 0 "[ . 1 . 2]" 1
621 1 23 ARG QB 1 24 ARG H . . 3.240 3.022 2.983 3.094 . 0 0 "[ . 1 . 2]" 1
622 1 23 ARG QB 1 24 ARG HA . . 4.500 4.010 3.974 4.042 . 0 0 "[ . 1 . 2]" 1
623 1 23 ARG QB 1 24 ARG HB2 . . 5.230 4.714 4.617 4.814 . 0 0 "[ . 1 . 2]" 1
624 1 23 ARG QB 1 24 ARG QG . . 4.090 3.485 3.374 3.614 . 0 0 "[ . 1 . 2]" 1
625 1 23 ARG QB 1 25 HIS H . . 5.340 5.115 5.056 5.223 . 0 0 "[ . 1 . 2]" 1
626 1 23 ARG HB2 1 23 ARG QD . . 3.890 2.434 2.004 2.807 . 0 0 "[ . 1 . 2]" 1
627 1 23 ARG HB2 1 23 ARG HE . . 5.280 4.030 2.662 4.751 . 0 0 "[ . 1 . 2]" 1
628 1 23 ARG HB2 1 24 ARG HA . . 5.360 4.424 4.254 4.588 . 0 0 "[ . 1 . 2]" 1
629 1 23 ARG HB3 1 23 ARG QD . . 3.890 2.479 2.145 3.128 . 0 0 "[ . 1 . 2]" 1
630 1 23 ARG HB3 1 23 ARG HE . . 5.280 3.984 2.649 5.074 . 0 0 "[ . 1 . 2]" 1
631 1 23 ARG HB3 1 24 ARG HA . . 5.360 4.611 4.430 4.811 . 0 0 "[ . 1 . 2]" 1
632 1 23 ARG QG 1 24 ARG H . . 4.390 4.215 3.972 4.327 . 0 0 "[ . 1 . 2]" 1
633 1 24 ARG H 1 24 ARG HB2 . . 2.870 2.304 2.239 2.384 . 0 0 "[ . 1 . 2]" 1
634 1 24 ARG H 1 24 ARG QG . . 2.900 2.836 2.727 2.902 0.002 1 0 "[ . 1 . 2]" 1
635 1 24 ARG H 1 25 HIS H . . 3.190 2.438 2.337 2.523 . 0 0 "[ . 1 . 2]" 1
636 1 24 ARG H 1 25 HIS HA . . 5.500 5.085 5.016 5.131 . 0 0 "[ . 1 . 2]" 1
637 1 24 ARG H 1 26 GLY H . . 4.910 3.556 3.520 3.602 . 0 0 "[ . 1 . 2]" 1
638 1 24 ARG HA 1 24 ARG QD . . 3.880 3.118 2.212 3.864 . 0 0 "[ . 1 . 2]" 1
639 1 24 ARG HA 1 24 ARG HG2 . . 3.720 2.396 2.204 2.851 . 0 0 "[ . 1 . 2]" 1
640 1 24 ARG HA 1 24 ARG QG . . 3.210 2.355 2.175 2.760 . 0 0 "[ . 1 . 2]" 1
641 1 24 ARG HA 1 24 ARG HG3 . . 3.720 3.510 3.078 3.697 . 0 0 "[ . 1 . 2]" 1
642 1 24 ARG HB2 1 24 ARG HE . . 4.870 4.115 2.559 4.853 . 0 0 "[ . 1 . 2]" 1
643 1 24 ARG HB2 1 25 HIS H . . 3.540 2.551 2.407 2.655 . 0 0 "[ . 1 . 2]" 1
644 1 24 ARG HB2 1 25 HIS HD2 . . 4.140 3.345 3.102 3.553 . 0 0 "[ . 1 . 2]" 1
645 1 24 ARG HB2 1 26 GLY H . . 5.500 4.756 4.664 4.820 . 0 0 "[ . 1 . 2]" 1
646 1 24 ARG HB3 1 24 ARG QD . . 3.470 2.132 1.972 2.416 . 0 0 "[ . 1 . 2]" 1
647 1 24 ARG HB3 1 24 ARG HE . . 4.540 3.732 2.181 4.528 . 0 0 "[ . 1 . 2]" 1
648 1 24 ARG HB3 1 25 HIS H . . 3.720 3.314 3.113 3.454 . 0 0 "[ . 1 . 2]" 1
649 1 24 ARG HB3 1 25 HIS HD2 . . 4.100 4.101 4.100 4.102 0.002 7 0 "[ . 1 . 2]" 1
650 1 24 ARG QG 1 25 HIS H . . 5.010 4.153 4.028 4.248 . 0 0 "[ . 1 . 2]" 1
651 1 24 ARG QG 1 25 HIS HD2 . . 5.340 5.017 4.783 5.188 . 0 0 "[ . 1 . 2]" 1
652 1 25 HIS H 1 25 HIS HB2 . . 3.180 2.241 2.228 2.255 . 0 0 "[ . 1 . 2]" 1
653 1 25 HIS H 1 25 HIS HB3 . . 3.790 3.530 3.524 3.538 . 0 0 "[ . 1 . 2]" 1
654 1 25 HIS H 1 26 GLY H . . 2.860 2.473 2.384 2.586 . 0 0 "[ . 1 . 2]" 1
655 1 25 HIS H 1 26 GLY HA2 . . 4.910 4.769 4.685 4.880 . 0 0 "[ . 1 . 2]" 1
656 1 25 HIS HA 1 25 HIS HD2 . . 4.670 3.942 3.876 3.997 . 0 0 "[ . 1 . 2]" 1
657 1 25 HIS HA 1 26 GLY H . . 3.490 3.489 3.483 3.493 0.003 10 0 "[ . 1 . 2]" 1
658 1 25 HIS HB2 1 25 HIS HD2 . . 3.030 2.819 2.793 2.855 . 0 0 "[ . 1 . 2]" 1
659 1 25 HIS HB2 1 26 GLY H . . 3.760 2.996 2.974 3.029 . 0 0 "[ . 1 . 2]" 1
660 1 25 HIS HB3 1 26 GLY H . . 4.310 3.630 3.609 3.644 . 0 0 "[ . 1 . 2]" 1
661 1 25 HIS HB3 1 27 TRP H . . 4.200 3.266 3.243 3.290 . 0 0 "[ . 1 . 2]" 1
662 1 25 HIS HB3 1 27 TRP HD1 . . 4.840 3.903 3.888 3.915 . 0 0 "[ . 1 . 2]" 1
663 1 25 HIS HB3 1 27 TRP HE1 . . 4.610 3.079 3.076 3.082 . 0 0 "[ . 1 . 2]" 1
664 1 25 HIS HB3 1 27 TRP HE3 . . 4.490 4.468 4.456 4.479 . 0 0 "[ . 1 . 2]" 1
665 1 25 HIS HB3 1 27 TRP HZ2 . . 3.670 3.407 3.392 3.420 . 0 0 "[ . 1 . 2]" 1
666 1 25 HIS HB3 1 27 TRP HZ3 . . 4.880 4.906 4.905 4.907 0.027 7 0 "[ . 1 . 2]" 1
667 1 25 HIS HD2 1 29 VAL MG2 . . 4.620 4.039 3.997 4.113 . 0 0 "[ . 1 . 2]" 1
668 1 25 HIS HE1 1 27 TRP HH2 . . 5.500 5.272 5.171 5.399 . 0 0 "[ . 1 . 2]" 1
669 1 25 HIS HE1 1 27 TRP HZ2 . . 4.880 3.802 3.751 3.860 . 0 0 "[ . 1 . 2]" 1
670 1 26 GLY H 1 26 GLY HA2 . . 2.740 2.347 2.346 2.348 . 0 0 "[ . 1 . 2]" 1
671 1 26 GLY H 1 26 GLY HA3 . . 2.940 2.914 2.914 2.915 . 0 0 "[ . 1 . 2]" 1
672 1 26 GLY H 1 27 TRP H . . 3.230 2.319 2.318 2.322 . 0 0 "[ . 1 . 2]" 1
673 1 26 GLY HA2 1 27 TRP H . . 3.420 3.109 3.106 3.113 . 0 0 "[ . 1 . 2]" 1
674 1 26 GLY HA2 1 27 TRP HA . . 4.950 4.400 4.399 4.401 . 0 0 "[ . 1 . 2]" 1
675 1 26 GLY HA3 1 27 TRP HA . . 5.500 4.711 4.710 4.711 . 0 0 "[ . 1 . 2]" 1
676 1 27 TRP H 1 27 TRP HB3 . . 3.640 3.459 3.458 3.460 . 0 0 "[ . 1 . 2]" 1
677 1 27 TRP HA 1 27 TRP HB2 . . 2.970 2.468 2.467 2.468 . 0 0 "[ . 1 . 2]" 1
678 1 27 TRP HA 1 27 TRP HB3 . . 2.960 2.440 2.439 2.441 . 0 0 "[ . 1 . 2]" 1
679 1 27 TRP HA 1 27 TRP HE3 . . 4.860 4.665 4.661 4.669 . 0 0 "[ . 1 . 2]" 1
680 1 27 TRP HA 1 28 CYS H . . 2.760 2.396 2.385 2.407 . 0 0 "[ . 1 . 2]" 1
681 1 27 TRP HA 1 28 CYS HA . . 4.680 4.301 4.300 4.302 . 0 0 "[ . 1 . 2]" 1
682 1 27 TRP HA 1 28 CYS HB2 . . 5.110 4.939 4.928 4.952 . 0 0 "[ . 1 . 2]" 1
683 1 27 TRP HA 1 29 VAL MG1 . . 5.410 5.137 5.102 5.174 . 0 0 "[ . 1 . 2]" 1
684 1 27 TRP HB2 1 27 TRP HD1 . . 3.490 2.940 2.937 2.943 . 0 0 "[ . 1 . 2]" 1
685 1 27 TRP HB2 1 27 TRP HE1 . . 5.230 4.887 4.886 4.889 . 0 0 "[ . 1 . 2]" 1
686 1 27 TRP HB2 1 27 TRP HE3 . . 3.900 3.847 3.844 3.850 . 0 0 "[ . 1 . 2]" 1
687 1 27 TRP HB2 1 28 CYS H . . 2.950 2.460 2.435 2.488 . 0 0 "[ . 1 . 2]" 1
688 1 27 TRP HB2 1 29 VAL MG1 . . 4.630 4.619 4.600 4.630 0.000 12 0 "[ . 1 . 2]" 1
689 1 27 TRP HB3 1 27 TRP HE3 . . 2.920 2.400 2.400 2.401 . 0 0 "[ . 1 . 2]" 1
690 1 27 TRP HB3 1 28 CYS H . . 3.920 3.780 3.766 3.796 . 0 0 "[ . 1 . 2]" 1
691 1 27 TRP HD1 1 28 CYS H . . 3.860 3.521 3.498 3.548 . 0 0 "[ . 1 . 2]" 1
692 1 27 TRP HD1 1 28 CYS HA . . 4.440 3.981 3.962 4.002 . 0 0 "[ . 1 . 2]" 1
693 1 27 TRP HD1 1 28 CYS HB2 . . 5.020 4.541 4.529 4.550 . 0 0 "[ . 1 . 2]" 1
694 1 27 TRP HD1 1 29 VAL H . . 4.600 3.995 3.988 4.006 . 0 0 "[ . 1 . 2]" 1
695 1 27 TRP HD1 1 29 VAL HA . . 4.080 3.356 3.349 3.361 . 0 0 "[ . 1 . 2]" 1
696 1 27 TRP HD1 1 29 VAL HB . . 4.780 4.770 4.755 4.784 0.004 1 0 "[ . 1 . 2]" 1
697 1 27 TRP HD1 1 29 VAL MG1 . . 2.460 2.022 1.977 2.072 . 0 0 "[ . 1 . 2]" 1
698 1 27 TRP HD1 1 29 VAL MG2 . . 4.280 4.289 4.286 4.293 0.013 20 0 "[ . 1 . 2]" 1
699 1 27 TRP HE1 1 29 VAL HA . . 4.900 4.072 4.063 4.082 . 0 0 "[ . 1 . 2]" 1
700 1 27 TRP HE1 1 29 VAL HB . . 4.710 4.539 4.521 4.562 . 0 0 "[ . 1 . 2]" 1
701 1 27 TRP HE1 1 29 VAL MG1 . . 2.790 2.198 2.154 2.224 . 0 0 "[ . 1 . 2]" 1
702 1 27 TRP HE1 1 29 VAL MG2 . . 4.840 4.805 4.798 4.814 . 0 0 "[ . 1 . 2]" 1
703 1 28 CYS H 1 28 CYS HB2 . . 2.940 2.544 2.532 2.554 . 0 0 "[ . 1 . 2]" 1
704 1 28 CYS H 1 28 CYS HB3 . . 3.800 3.593 3.591 3.594 . 0 0 "[ . 1 . 2]" 1
705 1 28 CYS H 1 29 VAL H . . 4.580 4.534 4.530 4.537 . 0 0 "[ . 1 . 2]" 1
706 1 28 CYS H 1 29 VAL MG1 . . 4.690 4.632 4.619 4.647 . 0 0 "[ . 1 . 2]" 1
707 1 28 CYS HA 1 29 VAL H . . 2.560 2.147 2.146 2.149 . 0 0 "[ . 1 . 2]" 1
708 1 28 CYS HA 1 29 VAL MG1 . . 4.950 3.837 3.796 3.879 . 0 0 "[ . 1 . 2]" 1
709 1 28 CYS HA 1 29 VAL MG2 . . 3.890 3.556 3.546 3.566 . 0 0 "[ . 1 . 2]" 1
710 1 28 CYS HB2 1 29 VAL H . . 4.400 4.194 4.183 4.202 . 0 0 "[ . 1 . 2]" 1
711 1 28 CYS HB2 1 29 VAL MG1 . . 5.320 5.132 5.120 5.142 . 0 0 "[ . 1 . 2]" 1
712 1 28 CYS HB3 1 29 VAL H . . 3.530 3.330 3.316 3.344 . 0 0 "[ . 1 . 2]" 1
713 1 29 VAL H 1 29 VAL MG1 . . 3.250 2.901 2.864 2.932 . 0 0 "[ . 1 . 2]" 1
714 1 29 VAL H 1 29 VAL MG2 . . 2.650 1.918 1.917 1.920 . 0 0 "[ . 1 . 2]" 1
715 1 29 VAL H 1 30 TRP H . . 4.670 4.509 4.508 4.511 . 0 0 "[ . 1 . 2]" 1
716 1 29 VAL H 1 34 PHE HB3 . . 5.500 5.145 4.884 5.303 . 0 0 "[ . 1 . 2]" 1
717 1 29 VAL HA 1 29 VAL HB . . 2.770 2.494 2.490 2.497 . 0 0 "[ . 1 . 2]" 1
718 1 29 VAL HA 1 29 VAL MG1 . . 2.850 2.334 2.299 2.363 . 0 0 "[ . 1 . 2]" 1
719 1 29 VAL HA 1 29 VAL MG2 . . 3.560 3.199 3.198 3.200 . 0 0 "[ . 1 . 2]" 1
720 1 29 VAL HA 1 30 TRP H . . 2.920 2.377 2.367 2.387 . 0 0 "[ . 1 . 2]" 1
721 1 29 VAL HB 1 30 TRP H . . 2.760 2.436 2.412 2.460 . 0 0 "[ . 1 . 2]" 1
722 1 29 VAL HB 1 30 TRP HB3 . . 5.500 5.511 5.506 5.514 0.014 5 0 "[ . 1 . 2]" 1
723 1 29 VAL HB 1 30 TRP HD1 . . 5.430 5.245 5.183 5.297 . 0 0 "[ . 1 . 2]" 1
724 1 29 VAL HB 1 34 PHE QD . . 4.460 4.462 4.455 4.464 0.004 4 0 "[ . 1 . 2]" 1
725 1 29 VAL HB 1 35 SER H . . 5.500 5.131 3.385 5.502 0.002 2 0 "[ . 1 . 2]" 1
726 1 29 VAL MG1 1 30 TRP H . . 3.800 3.603 3.591 3.618 . 0 0 "[ . 1 . 2]" 1
727 1 29 VAL MG1 1 34 PHE HB2 . . 5.500 3.591 3.435 3.666 . 0 0 "[ . 1 . 2]" 1
728 1 29 VAL MG2 1 30 TRP H . . 3.810 3.542 3.515 3.565 . 0 0 "[ . 1 . 2]" 1
729 1 29 VAL MG2 1 30 TRP HB2 . . 4.980 4.762 4.724 4.794 . 0 0 "[ . 1 . 2]" 1
730 1 29 VAL MG2 1 31 ASP H . . 5.020 4.733 4.599 4.858 . 0 0 "[ . 1 . 2]" 1
731 1 29 VAL MG2 1 32 GLY H . . 5.200 5.018 4.776 5.200 . 0 0 "[ . 1 . 2]" 1
732 1 29 VAL MG2 1 34 PHE H . . 5.500 4.064 3.815 4.309 . 0 0 "[ . 1 . 2]" 1
733 1 29 VAL MG2 1 34 PHE HA . . 4.250 3.947 3.569 4.140 . 0 0 "[ . 1 . 2]" 1
734 1 29 VAL MG2 1 34 PHE HB2 . . 4.880 2.219 2.058 2.417 . 0 0 "[ . 1 . 2]" 1
735 1 29 VAL MG2 1 34 PHE QD . . 4.110 2.793 2.603 2.939 . 0 0 "[ . 1 . 2]" 1
736 1 30 TRP H 1 30 TRP HA . . 2.870 2.794 2.788 2.799 . 0 0 "[ . 1 . 2]" 1
737 1 30 TRP H 1 30 TRP HB2 . . 3.100 2.422 2.397 2.448 . 0 0 "[ . 1 . 2]" 1
738 1 30 TRP H 1 30 TRP HB3 . . 3.620 3.582 3.578 3.585 . 0 0 "[ . 1 . 2]" 1
739 1 30 TRP H 1 30 TRP HD1 . . 3.480 3.412 3.397 3.425 . 0 0 "[ . 1 . 2]" 1
740 1 30 TRP H 1 30 TRP HE1 . . 5.190 4.979 4.932 5.018 . 0 0 "[ . 1 . 2]" 1
741 1 30 TRP H 1 31 ASP H . . 4.680 4.503 4.456 4.551 . 0 0 "[ . 1 . 2]" 1
742 1 30 TRP HA 1 30 TRP HD1 . . 4.670 4.598 4.575 4.619 . 0 0 "[ . 1 . 2]" 1
743 1 30 TRP HA 1 30 TRP HE3 . . 2.860 2.018 1.999 2.042 . 0 0 "[ . 1 . 2]" 1
744 1 30 TRP HA 1 31 ASP H . . 2.630 2.144 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
745 1 30 TRP HA 1 31 ASP HB2 . . 4.670 4.487 4.447 4.588 . 0 0 "[ . 1 . 2]" 1
746 1 30 TRP HB2 1 30 TRP HD1 . . 3.140 2.552 2.550 2.553 . 0 0 "[ . 1 . 2]" 1
747 1 30 TRP HB2 1 31 ASP H . . 4.580 4.333 4.251 4.399 . 0 0 "[ . 1 . 2]" 1
748 1 30 TRP HB3 1 30 TRP HD1 . . 3.760 3.529 3.523 3.536 . 0 0 "[ . 1 . 2]" 1
749 1 30 TRP HB3 1 30 TRP HE3 . . 3.170 3.088 3.076 3.097 . 0 0 "[ . 1 . 2]" 1
750 1 30 TRP HB3 1 31 ASP H . . 3.670 3.429 3.287 3.555 . 0 0 "[ . 1 . 2]" 1
751 1 30 TRP HB3 1 31 ASP HB3 . . 5.500 5.467 5.401 5.510 0.010 19 0 "[ . 1 . 2]" 1
752 1 30 TRP HB3 1 32 GLY H . . 5.500 5.454 5.125 5.504 0.004 11 0 "[ . 1 . 2]" 1
753 1 30 TRP HB3 1 33 THR MG . . 4.590 2.432 2.188 2.678 . 0 0 "[ . 1 . 2]" 1
754 1 30 TRP HB3 1 34 PHE H . . 5.500 4.504 4.366 4.698 . 0 0 "[ . 1 . 2]" 1
755 1 30 TRP HB3 1 34 PHE QD . . 5.500 5.234 5.142 5.510 0.010 19 0 "[ . 1 . 2]" 1
756 1 30 TRP HE3 1 31 ASP H . . 3.530 3.066 3.012 3.107 . 0 0 "[ . 1 . 2]" 1
757 1 30 TRP HE3 1 31 ASP HB2 . . 5.500 5.377 5.271 5.496 . 0 0 "[ . 1 . 2]" 1
758 1 30 TRP HE3 1 31 ASP HB3 . . 5.500 5.097 4.994 5.174 . 0 0 "[ . 1 . 2]" 1
759 1 30 TRP HE3 1 33 THR MG . . 5.070 4.997 4.727 5.074 0.004 2 0 "[ . 1 . 2]" 1
760 1 31 ASP H 1 31 ASP HB2 . . 3.190 2.555 2.461 2.657 . 0 0 "[ . 1 . 2]" 1
761 1 31 ASP H 1 31 ASP HB3 . . 3.020 2.569 2.500 2.633 . 0 0 "[ . 1 . 2]" 1
762 1 31 ASP HA 1 31 ASP HB2 . . 2.930 2.498 2.457 2.528 . 0 0 "[ . 1 . 2]" 1
763 1 31 ASP HA 1 32 GLY H . . 2.990 2.146 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
764 1 31 ASP HA 1 32 GLY HA2 . . 5.110 4.391 4.350 4.403 . 0 0 "[ . 1 . 2]" 1
765 1 31 ASP HA 1 32 GLY QA . . 4.330 3.913 3.897 3.919 . 0 0 "[ . 1 . 2]" 1
766 1 31 ASP HA 1 32 GLY HA3 . . 5.110 4.394 4.392 4.401 . 0 0 "[ . 1 . 2]" 1
767 1 31 ASP HB2 1 32 GLY H . . 4.490 4.353 4.296 4.491 0.001 7 0 "[ . 1 . 2]" 1
768 1 31 ASP HB3 1 32 GLY H . . 4.370 4.232 4.182 4.322 . 0 0 "[ . 1 . 2]" 1
769 1 31 ASP HB3 1 34 PHE QE . . 5.500 4.960 4.840 5.508 0.008 19 0 "[ . 1 . 2]" 1
770 1 32 GLY QA 1 33 THR H . . 3.070 2.847 2.679 2.874 . 0 0 "[ . 1 . 2]" 1
771 1 32 GLY QA 1 33 THR MG . . 4.670 3.729 3.364 4.160 . 0 0 "[ . 1 . 2]" 1
772 1 33 THR H 1 33 THR HB . . 3.940 3.410 3.056 3.785 . 0 0 "[ . 1 . 2]" 1
773 1 33 THR H 1 33 THR MG . . 3.170 2.283 1.991 2.604 . 0 0 "[ . 1 . 2]" 1
774 1 33 THR H 1 34 PHE H . . 3.310 1.994 1.897 2.264 . 0 0 "[ . 1 . 2]" 1
775 1 33 THR H 1 34 PHE HB3 . . 5.180 4.101 3.994 4.340 . 0 0 "[ . 1 . 2]" 1
776 1 33 THR HA 1 33 THR MG . . 3.240 2.846 2.403 3.207 . 0 0 "[ . 1 . 2]" 1
777 1 33 THR HA 1 34 PHE QD . . 5.050 4.760 4.668 4.996 . 0 0 "[ . 1 . 2]" 1
778 1 33 THR MG 1 34 PHE H . . 3.710 2.970 1.943 3.713 0.003 6 0 "[ . 1 . 2]" 1
779 1 34 PHE H 1 34 PHE HB2 . . 3.750 3.567 3.563 3.578 . 0 0 "[ . 1 . 2]" 1
780 1 34 PHE H 1 34 PHE HB3 . . 3.130 2.374 2.330 2.698 . 0 0 "[ . 1 . 2]" 1
781 1 34 PHE H 1 34 PHE QD . . 3.880 2.039 1.945 2.817 . 0 0 "[ . 1 . 2]" 1
782 1 34 PHE HA 1 34 PHE QD . . 3.860 3.708 3.695 3.718 . 0 0 "[ . 1 . 2]" 1
783 1 34 PHE HA 1 35 SER H . . 3.050 2.442 2.325 2.470 . 0 0 "[ . 1 . 2]" 1
784 1 34 PHE HA 1 35 SER HA . . 5.500 4.437 4.305 4.564 . 0 0 "[ . 1 . 2]" 1
785 1 34 PHE HB2 1 35 SER H . . 3.850 2.429 2.376 2.629 . 0 0 "[ . 1 . 2]" 1
786 1 34 PHE HB3 1 35 SER H . . 3.860 3.819 3.639 3.860 . 0 0 "[ . 1 . 2]" 1
787 1 34 PHE QD 1 35 SER QB . . 5.460 3.959 2.561 5.096 . 0 0 "[ . 1 . 2]" 1
788 1 35 SER H 1 35 SER QB . . 3.430 2.746 2.212 3.201 . 0 0 "[ . 1 . 2]" 1
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