NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450402 |
2rlw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rlw
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 466
_Distance_constraint_stats_list.Viol_count 789
_Distance_constraint_stats_list.Viol_total 509.365
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 VAL 0.127 0.041 8 0 "[ . 1 . 2]"
1 2 PHE 0.257 0.156 19 0 "[ . 1 . 2]"
1 3 HIS 0.146 0.041 8 0 "[ . 1 . 2]"
1 4 ALA 0.008 0.007 18 0 "[ . 1 . 2]"
1 5 TYR 0.017 0.007 17 0 "[ . 1 . 2]"
1 6 SER 0.057 0.012 6 0 "[ . 1 . 2]"
1 7 ALA 0.035 0.008 16 0 "[ . 1 . 2]"
1 8 ARG 0.134 0.017 6 0 "[ . 1 . 2]"
1 9 GLY 0.052 0.011 7 0 "[ . 1 . 2]"
1 10 VAL 0.505 0.022 10 0 "[ . 1 . 2]"
1 11 ARG 0.781 0.027 6 0 "[ . 1 . 2]"
1 12 ASN 1.597 0.086 19 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.907 0.052 10 0 "[ . 1 . 2]"
1 15 LYS 0.457 0.086 19 0 "[ . 1 . 2]"
1 16 SER 0.116 0.034 12 0 "[ . 1 . 2]"
1 17 ALA 0.904 0.047 8 0 "[ . 1 . 2]"
1 18 VAL 2.044 0.047 20 0 "[ . 1 . 2]"
1 19 GLY 4.522 0.124 10 0 "[ . 1 . 2]"
1 20 PRO 0.923 0.047 8 0 "[ . 1 . 2]"
1 21 ALA 3.658 0.124 10 0 "[ . 1 . 2]"
1 22 ASP 2.194 0.107 10 0 "[ . 1 . 2]"
1 23 TRP 2.850 0.075 20 0 "[ . 1 . 2]"
1 24 VAL 3.007 0.075 20 0 "[ . 1 . 2]"
1 25 ILE 3.865 0.111 4 0 "[ . 1 . 2]"
1 26 SER 2.912 0.111 4 0 "[ . 1 . 2]"
1 27 ALA 1.844 0.064 16 0 "[ . 1 . 2]"
1 28 VAL 1.204 0.041 10 0 "[ . 1 . 2]"
1 29 ARG 4.923 0.094 20 0 "[ . 1 . 2]"
1 30 GLY 0.095 0.014 17 0 "[ . 1 . 2]"
1 31 PHE 1.466 0.048 12 0 "[ . 1 . 2]"
1 32 ILE 2.078 0.056 4 0 "[ . 1 . 2]"
1 33 HIS 3.257 0.088 14 0 "[ . 1 . 2]"
1 34 GLY 2.666 0.059 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 PHE H . . 3.070 2.628 2.255 3.080 0.010 7 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 2 PHE QB . . 5.100 4.127 3.636 4.768 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 3 HIS H . . 4.770 4.238 3.214 4.755 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL HB 1 2 PHE H . . 3.520 2.588 1.947 3.372 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HB 1 3 HIS H . . 3.820 3.153 2.297 3.758 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL QG 1 2 PHE H . . 3.440 2.573 1.819 3.378 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 3 HIS H . . 3.770 3.293 2.338 3.811 0.041 8 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 4 ALA H . . 4.350 3.213 1.850 4.351 0.001 18 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 5 TYR H . . 4.590 3.349 2.430 4.590 . 0 0 "[ . 1 . 2]" 1
10 1 2 PHE H 1 2 PHE QB . . 3.210 2.787 1.963 3.209 . 0 0 "[ . 1 . 2]" 1
11 1 2 PHE H 1 2 PHE QD . . 3.830 3.147 2.152 3.986 0.156 19 0 "[ . 1 . 2]" 1
12 1 2 PHE H 1 3 HIS H . . 3.760 2.455 1.894 3.254 . 0 0 "[ . 1 . 2]" 1
13 1 2 PHE H 1 3 HIS QB . . 4.610 3.725 3.261 4.630 0.020 8 0 "[ . 1 . 2]" 1
14 1 2 PHE H 1 4 ALA H . . 5.140 3.322 2.721 4.216 . 0 0 "[ . 1 . 2]" 1
15 1 2 PHE H 1 5 TYR H . . 4.770 4.319 3.476 4.777 0.007 17 0 "[ . 1 . 2]" 1
16 1 2 PHE H 1 5 TYR QD . . 5.200 4.456 3.412 5.203 0.003 7 0 "[ . 1 . 2]" 1
17 1 2 PHE HA 1 2 PHE QD . . 3.810 3.039 1.947 3.756 . 0 0 "[ . 1 . 2]" 1
18 1 2 PHE HA 1 3 HIS H . . 3.290 2.909 2.687 3.278 . 0 0 "[ . 1 . 2]" 1
19 1 2 PHE QD 1 3 HIS H . . 5.190 4.619 4.014 5.021 . 0 0 "[ . 1 . 2]" 1
20 1 3 HIS H 1 3 HIS QB . . 3.110 2.945 2.670 2.963 . 0 0 "[ . 1 . 2]" 1
21 1 3 HIS H 1 3 HIS HD2 . . 5.430 4.376 4.186 4.887 . 0 0 "[ . 1 . 2]" 1
22 1 3 HIS H 1 4 ALA H . . 3.470 1.897 1.884 1.998 . 0 0 "[ . 1 . 2]" 1
23 1 3 HIS H 1 4 ALA HA . . 4.590 4.346 4.322 4.428 . 0 0 "[ . 1 . 2]" 1
24 1 3 HIS H 1 4 ALA MB . . 4.070 3.479 3.225 3.727 . 0 0 "[ . 1 . 2]" 1
25 1 3 HIS H 1 5 TYR H . . 4.670 2.542 2.332 2.848 . 0 0 "[ . 1 . 2]" 1
26 1 3 HIS H 1 5 TYR QD . . 3.920 2.632 2.180 3.250 . 0 0 "[ . 1 . 2]" 1
27 1 3 HIS H 1 5 TYR QE . . 5.180 3.865 3.292 4.696 . 0 0 "[ . 1 . 2]" 1
28 1 3 HIS HA 1 4 ALA MB . . 5.500 4.989 4.940 5.027 . 0 0 "[ . 1 . 2]" 1
29 1 3 HIS HA 1 5 TYR QD . . 5.110 3.423 2.351 5.007 . 0 0 "[ . 1 . 2]" 1
30 1 3 HIS QB 1 4 ALA H . . 2.960 2.907 2.829 2.960 . 9 0 "[ . 1 . 2]" 1
31 1 3 HIS HD2 1 4 ALA H . . 4.270 3.033 2.760 4.277 0.007 18 0 "[ . 1 . 2]" 1
32 1 3 HIS HD2 1 4 ALA MB . . 5.500 3.221 2.508 4.791 . 0 0 "[ . 1 . 2]" 1
33 1 3 HIS HD2 1 5 TYR H . . 5.040 4.861 4.587 5.040 . 0 0 "[ . 1 . 2]" 1
34 1 4 ALA H 1 4 ALA MB . . 2.920 2.066 1.932 2.168 . 0 0 "[ . 1 . 2]" 1
35 1 4 ALA H 1 5 TYR H . . 3.260 2.608 2.377 2.868 . 0 0 "[ . 1 . 2]" 1
36 1 4 ALA H 1 5 TYR QD . . 4.240 3.541 3.234 4.215 . 0 0 "[ . 1 . 2]" 1
37 1 4 ALA H 1 5 TYR QE . . 5.500 5.209 4.735 5.431 . 0 0 "[ . 1 . 2]" 1
38 1 4 ALA HA 1 5 TYR H . . 3.630 3.557 3.454 3.630 0.000 20 0 "[ . 1 . 2]" 1
39 1 4 ALA MB 1 5 TYR H . . 3.260 2.807 2.404 3.148 . 0 0 "[ . 1 . 2]" 1
40 1 5 TYR H 1 5 TYR QB . . 3.130 2.562 2.014 3.115 . 0 0 "[ . 1 . 2]" 1
41 1 5 TYR H 1 5 TYR QD . . 3.400 2.186 1.947 2.570 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR H 1 5 TYR QE . . 4.710 4.448 4.144 4.616 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR HA 1 5 TYR QD . . 3.950 3.271 2.573 3.745 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR HA 1 6 SER H . . 3.130 2.650 2.332 3.026 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR QB 1 6 SER H . . 3.320 2.296 1.949 2.938 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QD 1 6 SER H . . 3.780 3.276 2.457 3.737 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QE 1 6 SER H . . 5.500 5.190 4.037 5.494 . 0 0 "[ . 1 . 2]" 1
48 1 6 SER H 1 6 SER HB2 . . 3.950 3.188 2.372 3.541 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER H 1 6 SER QB . . 3.340 3.032 2.341 3.302 . 0 0 "[ . 1 . 2]" 1
50 1 6 SER H 1 6 SER HB3 . . 3.950 3.888 3.580 3.962 0.012 6 0 "[ . 1 . 2]" 1
51 1 6 SER H 1 7 ALA H . . 4.220 3.657 3.519 4.167 . 0 0 "[ . 1 . 2]" 1
52 1 6 SER HA 1 7 ALA H . . 3.290 2.293 2.275 2.336 . 0 0 "[ . 1 . 2]" 1
53 1 6 SER HA 1 8 ARG H . . 3.480 3.464 3.408 3.483 0.003 6 0 "[ . 1 . 2]" 1
54 1 6 SER HA 1 8 ARG HE . . 5.500 5.362 5.126 5.480 . 0 0 "[ . 1 . 2]" 1
55 1 6 SER HA 1 9 GLY H . . 4.670 4.113 4.066 4.137 . 0 0 "[ . 1 . 2]" 1
56 1 6 SER QB 1 7 ALA H . . 3.920 3.780 3.744 3.847 . 0 0 "[ . 1 . 2]" 1
57 1 6 SER QB 1 8 ARG H . . 3.660 3.419 3.341 3.561 . 0 0 "[ . 1 . 2]" 1
58 1 6 SER QB 1 8 ARG HE . . 5.340 5.338 5.295 5.350 0.010 6 0 "[ . 1 . 2]" 1
59 1 6 SER HB2 1 7 ALA H . . 4.620 4.550 4.506 4.580 . 0 0 "[ . 1 . 2]" 1
60 1 6 SER HB3 1 7 ALA H . . 4.620 4.039 3.995 4.134 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA H 1 7 ALA MB . . 3.170 2.059 1.933 2.152 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA H 1 8 ARG H . . 3.530 2.660 2.635 2.675 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA H 1 8 ARG QB . . 4.450 4.362 4.286 4.416 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA H 1 9 GLY H . . 4.940 3.963 3.950 3.997 . 0 0 "[ . 1 . 2]" 1
65 1 7 ALA H 1 10 VAL H . . 5.430 4.575 4.500 4.676 . 0 0 "[ . 1 . 2]" 1
66 1 7 ALA H 1 10 VAL MG1 . . 5.500 4.410 4.354 4.473 . 0 0 "[ . 1 . 2]" 1
67 1 7 ALA HA 1 9 GLY H . . 3.740 3.529 3.470 3.589 . 0 0 "[ . 1 . 2]" 1
68 1 7 ALA HA 1 10 VAL H . . 3.900 2.862 2.822 2.886 . 0 0 "[ . 1 . 2]" 1
69 1 7 ALA HA 1 10 VAL HB . . 4.390 2.678 2.550 2.876 . 0 0 "[ . 1 . 2]" 1
70 1 7 ALA HA 1 10 VAL MG1 . . 3.740 1.985 1.940 2.052 . 0 0 "[ . 1 . 2]" 1
71 1 7 ALA MB 1 8 ARG H . . 3.160 2.802 2.729 2.865 . 0 0 "[ . 1 . 2]" 1
72 1 7 ALA MB 1 8 ARG HE . . 5.130 2.580 2.212 2.712 . 0 0 "[ . 1 . 2]" 1
73 1 7 ALA MB 1 9 GLY H . . 4.400 4.199 4.173 4.238 . 0 0 "[ . 1 . 2]" 1
74 1 7 ALA MB 1 10 VAL H . . 4.280 4.271 4.228 4.288 0.008 16 0 "[ . 1 . 2]" 1
75 1 7 ALA MB 1 11 ARG H . . 4.400 4.125 3.933 4.213 . 0 0 "[ . 1 . 2]" 1
76 1 7 ALA MB 1 11 ARG HE . . 5.500 4.651 2.578 5.502 0.002 7 0 "[ . 1 . 2]" 1
77 1 8 ARG H 1 8 ARG QB . . 2.840 2.059 2.012 2.111 . 0 0 "[ . 1 . 2]" 1
78 1 8 ARG H 1 8 ARG HE . . 3.970 2.111 1.941 2.198 . 0 0 "[ . 1 . 2]" 1
79 1 8 ARG H 1 8 ARG QG . . 4.040 3.597 3.482 3.752 . 0 0 "[ . 1 . 2]" 1
80 1 8 ARG H 1 11 ARG QD . . 4.180 3.972 3.642 4.197 0.017 6 0 "[ . 1 . 2]" 1
81 1 8 ARG HA 1 8 ARG HE . . 4.250 2.138 2.046 2.270 . 0 0 "[ . 1 . 2]" 1
82 1 8 ARG HA 1 8 ARG QG . . 3.230 2.203 2.081 2.599 . 0 0 "[ . 1 . 2]" 1
83 1 8 ARG HA 1 11 ARG QD . . 3.800 2.082 1.823 2.325 . 0 0 "[ . 1 . 2]" 1
84 1 8 ARG HA 1 11 ARG HE . . 4.780 4.315 2.160 4.781 0.001 16 0 "[ . 1 . 2]" 1
85 1 8 ARG HA 1 11 ARG QG . . 3.300 2.663 2.529 2.796 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG HA 1 12 ASN HD22 . . 4.680 4.034 3.750 4.314 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG QB 1 8 ARG HE . . 3.430 2.841 2.738 3.016 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG QB 1 9 GLY H . . 3.230 3.222 3.149 3.241 0.011 7 0 "[ . 1 . 2]" 1
89 1 8 ARG QB 1 12 ASN HD21 . . 4.360 4.259 4.091 4.363 0.003 12 0 "[ . 1 . 2]" 1
90 1 8 ARG QB 1 12 ASN HD22 . . 4.890 4.270 4.180 4.373 . 0 0 "[ . 1 . 2]" 1
91 1 8 ARG HE 1 8 ARG QG . . 3.400 2.702 2.488 3.363 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG HE 1 11 ARG QD . . 2.810 2.764 2.440 2.818 0.008 6 0 "[ . 1 . 2]" 1
93 1 8 ARG HE 1 12 ASN HD21 . . 5.500 5.481 5.439 5.505 0.005 16 0 "[ . 1 . 2]" 1
94 1 8 ARG QG 1 12 ASN HD21 . . 4.620 4.241 3.994 4.555 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG QG 1 12 ASN HD22 . . 4.370 3.958 3.576 4.370 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLY H 1 9 GLY QA . . 2.680 2.277 2.255 2.296 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLY H 1 10 VAL H . . 3.310 2.053 1.970 2.138 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLY H 1 10 VAL HB . . 4.530 3.948 3.846 4.053 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLY H 1 10 VAL MG1 . . 4.690 3.885 3.856 3.943 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLY H 1 11 ARG QD . . 5.270 4.540 4.278 4.820 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLY H 1 12 ASN QB . . 4.810 4.441 4.250 4.595 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLY QA 1 12 ASN QB . . 4.900 2.226 2.020 2.404 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLY QA 1 12 ASN HD21 . . 4.640 3.787 3.652 3.947 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLY QA 1 12 ASN HD22 . . 4.800 4.740 4.647 4.809 0.009 6 0 "[ . 1 . 2]" 1
105 1 10 VAL H 1 10 VAL HA . . 2.920 2.821 2.800 2.828 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL H 1 10 VAL HB . . 3.040 2.133 2.105 2.145 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL H 1 10 VAL MG1 . . 3.050 2.555 2.538 2.591 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL H 1 10 VAL MG2 . . 3.680 3.594 3.576 3.601 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL H 1 11 ARG H . . 3.570 2.648 2.627 2.717 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL H 1 11 ARG QG . . 4.050 3.787 3.690 4.049 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL HA 1 10 VAL MG1 . . 3.350 3.157 3.156 3.159 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL HA 1 10 VAL MG2 . . 3.050 2.105 2.001 2.214 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL HA 1 12 ASN H . . 4.620 4.485 4.375 4.558 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL HA 1 12 ASN QB . . 5.230 4.960 4.804 5.072 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL HA 1 13 ASN H . . 4.090 3.532 3.447 3.643 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL HA 1 13 ASN QD . . 4.170 4.079 3.980 4.168 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL HB 1 11 ARG H . . 3.510 3.530 3.527 3.532 0.022 10 0 "[ . 1 . 2]" 1
118 1 10 VAL HB 1 12 ASN H . . 5.500 5.502 5.469 5.509 0.009 11 0 "[ . 1 . 2]" 1
119 1 10 VAL MG1 1 11 ARG H . . 3.440 1.862 1.858 1.866 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG1 1 11 ARG HA . . 3.750 2.790 2.753 2.827 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL MG1 1 11 ARG HB2 . . 5.140 4.116 4.056 4.166 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL MG1 1 11 ARG HB3 . . 3.900 2.913 2.863 2.980 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL MG1 1 12 ASN H . . 4.380 4.077 4.019 4.115 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL MG1 1 13 ASN H . . 4.980 4.465 4.405 4.535 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL MG2 1 12 ASN H . . 5.500 5.452 5.375 5.484 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL MG2 1 13 ASN H . . 5.050 4.672 4.501 4.797 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG H 1 11 ARG HB2 . . 3.640 3.548 3.519 3.558 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG H 1 11 ARG QB . . 3.160 2.444 2.271 2.524 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG H 1 11 ARG HB3 . . 3.640 2.492 2.299 2.582 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG H 1 11 ARG QD . . 3.760 3.304 3.151 3.713 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG H 1 11 ARG HE . . 5.060 4.584 2.504 5.052 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG H 1 11 ARG QG . . 3.710 2.064 1.931 2.408 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG H 1 12 ASN H . . 4.360 2.645 2.561 2.723 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG H 1 12 ASN HA . . 5.350 5.152 5.079 5.215 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG H 1 12 ASN QB . . 4.410 4.350 4.270 4.405 . 0 0 "[ . 1 . 2]" 1
136 1 11 ARG H 1 12 ASN HD21 . . 5.500 4.201 3.893 4.414 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG H 1 14 TYR QD . . 4.930 4.646 4.513 4.935 0.005 12 0 "[ . 1 . 2]" 1
138 1 11 ARG HA 1 12 ASN H . . 3.630 3.603 3.600 3.604 . 0 0 "[ . 1 . 2]" 1
139 1 11 ARG HA 1 12 ASN HD21 . . 5.420 5.262 5.027 5.421 0.001 16 0 "[ . 1 . 2]" 1
140 1 11 ARG HA 1 13 ASN H . . 4.720 3.680 3.677 3.682 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG HA 1 14 TYR HB3 . . 4.790 2.009 1.998 2.069 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HA 1 14 TYR QD . . 4.700 2.292 2.164 2.596 . 0 0 "[ . 1 . 2]" 1
143 1 11 ARG QB 1 12 ASN H . . 3.430 3.443 3.434 3.454 0.024 7 0 "[ . 1 . 2]" 1
144 1 11 ARG QB 1 13 ASN H . . 5.300 4.675 4.658 4.698 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG HB2 1 12 ASN H . . 3.950 3.815 3.772 3.954 0.004 10 0 "[ . 1 . 2]" 1
146 1 11 ARG HB2 1 14 TYR HB3 . . 4.820 3.853 3.820 3.884 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HB3 1 11 ARG QD . . 3.020 2.566 2.175 2.786 . 0 0 "[ . 1 . 2]" 1
148 1 11 ARG HB3 1 12 ASN H . . 3.950 3.925 3.798 3.977 0.027 6 0 "[ . 1 . 2]" 1
149 1 11 ARG QD 1 12 ASN H . . 4.660 3.859 3.825 4.043 . 0 0 "[ . 1 . 2]" 1
150 1 11 ARG QD 1 12 ASN HD21 . . 4.790 3.237 3.026 3.766 . 0 0 "[ . 1 . 2]" 1
151 1 11 ARG QD 1 12 ASN HD22 . . 5.500 3.792 3.361 4.592 . 0 0 "[ . 1 . 2]" 1
152 1 11 ARG HE 1 11 ARG QG . . 3.550 2.899 2.127 3.423 . 0 0 "[ . 1 . 2]" 1
153 1 11 ARG QG 1 12 ASN H . . 4.110 1.892 1.887 1.908 . 0 0 "[ . 1 . 2]" 1
154 1 12 ASN H 1 12 ASN QB . . 3.100 2.106 2.078 2.166 . 0 0 "[ . 1 . 2]" 1
155 1 12 ASN H 1 12 ASN HD21 . . 4.170 2.192 1.952 2.325 . 0 0 "[ . 1 . 2]" 1
156 1 12 ASN H 1 12 ASN HD22 . . 4.410 3.889 3.663 4.010 . 0 0 "[ . 1 . 2]" 1
157 1 12 ASN H 1 13 ASN H . . 3.470 2.641 2.619 2.648 . 0 0 "[ . 1 . 2]" 1
158 1 12 ASN H 1 13 ASN HA . . 5.440 5.151 5.127 5.158 . 0 0 "[ . 1 . 2]" 1
159 1 12 ASN H 1 13 ASN HD21 . . 5.500 4.207 3.925 4.913 . 0 0 "[ . 1 . 2]" 1
160 1 12 ASN H 1 13 ASN HD22 . . 5.500 5.287 4.818 5.500 . 0 0 "[ . 1 . 2]" 1
161 1 12 ASN H 1 14 TYR QD . . 5.500 4.555 4.490 4.709 . 0 0 "[ . 1 . 2]" 1
162 1 12 ASN HA 1 12 ASN HD21 . . 4.230 2.811 2.592 2.907 . 0 0 "[ . 1 . 2]" 1
163 1 12 ASN HA 1 12 ASN HD22 . . 4.280 3.602 3.494 3.668 . 0 0 "[ . 1 . 2]" 1
164 1 12 ASN HA 1 14 TYR H . . 4.520 3.896 3.807 3.931 . 0 0 "[ . 1 . 2]" 1
165 1 12 ASN HA 1 15 LYS H . . 4.890 3.605 3.584 3.677 . 0 0 "[ . 1 . 2]" 1
166 1 12 ASN QB 1 12 ASN HD22 . . 3.520 3.410 3.390 3.441 . 0 0 "[ . 1 . 2]" 1
167 1 12 ASN QB 1 13 ASN H . . 3.200 3.035 3.019 3.054 . 0 0 "[ . 1 . 2]" 1
168 1 12 ASN QB 1 13 ASN HD21 . . 4.160 2.785 2.621 3.146 . 0 0 "[ . 1 . 2]" 1
169 1 12 ASN QB 1 13 ASN QD . . 3.530 2.654 2.553 2.821 . 0 0 "[ . 1 . 2]" 1
170 1 12 ASN QB 1 13 ASN HD22 . . 4.160 3.497 3.187 3.653 . 0 0 "[ . 1 . 2]" 1
171 1 12 ASN QB 1 14 TYR H . . 4.510 4.555 4.538 4.562 0.052 10 0 "[ . 1 . 2]" 1
172 1 12 ASN QB 1 15 LYS H . . 5.180 5.189 5.168 5.266 0.086 19 0 "[ . 1 . 2]" 1
173 1 13 ASN H 1 13 ASN QB . . 3.360 2.286 2.172 2.593 . 0 0 "[ . 1 . 2]" 1
174 1 13 ASN H 1 13 ASN HD21 . . 4.140 2.561 2.325 3.089 . 0 0 "[ . 1 . 2]" 1
175 1 13 ASN H 1 13 ASN QD . . 3.610 2.507 2.310 2.923 . 0 0 "[ . 1 . 2]" 1
176 1 13 ASN H 1 13 ASN HD22 . . 4.140 3.925 3.607 4.082 . 0 0 "[ . 1 . 2]" 1
177 1 13 ASN H 1 14 TYR HA . . 5.040 4.775 4.747 4.790 . 0 0 "[ . 1 . 2]" 1
178 1 13 ASN H 1 14 TYR HB2 . . 5.500 5.192 5.124 5.223 . 0 0 "[ . 1 . 2]" 1
179 1 13 ASN H 1 14 TYR HB3 . . 4.220 3.727 3.704 3.742 . 0 0 "[ . 1 . 2]" 1
180 1 13 ASN HA 1 15 LYS H . . 5.020 4.559 4.534 4.629 . 0 0 "[ . 1 . 2]" 1
181 1 13 ASN HA 1 16 SER H . . 4.880 3.650 3.483 3.692 . 0 0 "[ . 1 . 2]" 1
182 1 13 ASN QB 1 14 TYR H . . 3.850 3.118 3.088 3.187 . 0 0 "[ . 1 . 2]" 1
183 1 13 ASN QB 1 15 LYS H . . 5.360 5.087 5.055 5.180 . 0 0 "[ . 1 . 2]" 1
184 1 13 ASN QD 1 14 TYR H . . 5.210 4.266 4.145 4.470 . 0 0 "[ . 1 . 2]" 1
185 1 14 TYR H 1 14 TYR HB2 . . 3.320 3.238 3.218 3.249 . 0 0 "[ . 1 . 2]" 1
186 1 14 TYR H 1 14 TYR HB3 . . 3.350 1.912 1.904 1.917 . 0 0 "[ . 1 . 2]" 1
187 1 14 TYR H 1 14 TYR QD . . 3.710 3.284 3.257 3.341 . 0 0 "[ . 1 . 2]" 1
188 1 14 TYR H 1 15 LYS H . . 3.320 2.455 2.448 2.483 . 0 0 "[ . 1 . 2]" 1
189 1 14 TYR HA 1 14 TYR QD . . 3.690 3.172 3.128 3.192 . 0 0 "[ . 1 . 2]" 1
190 1 14 TYR HA 1 18 VAL MG2 . . 4.500 4.420 4.028 4.489 . 0 0 "[ . 1 . 2]" 1
191 1 14 TYR HB2 1 15 LYS H . . 4.090 4.021 3.968 4.034 . 0 0 "[ . 1 . 2]" 1
192 1 14 TYR HB3 1 15 LYS H . . 4.140 3.092 3.008 3.119 . 0 0 "[ . 1 . 2]" 1
193 1 14 TYR HB3 1 16 SER H . . 4.980 4.878 4.773 4.901 . 0 0 "[ . 1 . 2]" 1
194 1 14 TYR QD 1 15 LYS H . . 3.190 2.995 2.930 3.015 . 0 0 "[ . 1 . 2]" 1
195 1 14 TYR QD 1 15 LYS HA . . 4.640 3.379 3.361 3.392 . 0 0 "[ . 1 . 2]" 1
196 1 14 TYR QD 1 16 SER H . . 5.110 4.627 4.608 4.667 . 0 0 "[ . 1 . 2]" 1
197 1 14 TYR QD 1 17 ALA H . . 5.450 4.650 4.570 5.158 . 0 0 "[ . 1 . 2]" 1
198 1 14 TYR QD 1 18 VAL MG1 . . 5.360 4.798 4.538 4.856 . 0 0 "[ . 1 . 2]" 1
199 1 14 TYR QD 1 18 VAL MG2 . . 4.800 2.206 2.057 2.258 . 0 0 "[ . 1 . 2]" 1
200 1 14 TYR QE 1 15 LYS H . . 4.330 4.131 4.086 4.155 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS H 1 15 LYS QB . . 3.120 2.519 2.116 2.642 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS H 1 15 LYS QD . . 4.200 3.677 2.144 4.202 0.002 5 0 "[ . 1 . 2]" 1
203 1 15 LYS H 1 15 LYS QG . . 3.490 2.211 1.880 3.519 0.029 12 0 "[ . 1 . 2]" 1
204 1 15 LYS H 1 16 SER H . . 3.500 2.670 2.576 2.694 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS H 1 18 VAL H . . 5.080 4.919 4.784 4.939 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS HA 1 18 VAL H . . 4.420 3.341 3.112 3.367 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS QB 1 16 SER H . . 3.750 3.746 3.718 3.757 0.007 8 0 "[ . 1 . 2]" 1
208 1 15 LYS QE 1 16 SER H . . 3.350 3.144 2.923 3.328 . 0 0 "[ . 1 . 2]" 1
209 1 15 LYS QE 1 16 SER HA . . 3.620 2.916 2.388 3.614 . 0 0 "[ . 1 . 2]" 1
210 1 15 LYS QE 1 17 ALA H . . 5.500 5.249 5.065 5.496 . 0 0 "[ . 1 . 2]" 1
211 1 15 LYS QG 1 16 SER H . . 3.400 2.610 2.453 3.434 0.034 12 0 "[ . 1 . 2]" 1
212 1 16 SER H 1 16 SER HA . . 2.890 2.817 2.801 2.819 . 0 0 "[ . 1 . 2]" 1
213 1 16 SER H 1 16 SER QB . . 3.190 2.114 2.023 2.669 . 0 0 "[ . 1 . 2]" 1
214 1 16 SER H 1 17 ALA H . . 4.220 2.601 2.521 2.731 . 0 0 "[ . 1 . 2]" 1
215 1 16 SER H 1 17 ALA MB . . 4.400 4.172 4.091 4.293 . 0 0 "[ . 1 . 2]" 1
216 1 16 SER H 1 18 VAL H . . 4.400 3.550 3.463 3.562 . 0 0 "[ . 1 . 2]" 1
217 1 16 SER H 1 18 VAL HB . . 4.440 4.401 4.228 4.434 . 0 0 "[ . 1 . 2]" 1
218 1 16 SER H 1 19 GLY H . . 5.100 4.887 4.785 4.906 . 0 0 "[ . 1 . 2]" 1
219 1 16 SER HA 1 19 GLY H . . 3.920 3.373 3.353 3.510 . 0 0 "[ . 1 . 2]" 1
220 1 16 SER QB 1 17 ALA H . . 3.600 2.624 2.227 3.265 . 0 0 "[ . 1 . 2]" 1
221 1 16 SER QB 1 18 VAL H . . 5.010 4.268 4.123 4.546 . 0 0 "[ . 1 . 2]" 1
222 1 17 ALA H 1 17 ALA MB . . 2.970 2.072 1.943 2.171 . 0 0 "[ . 1 . 2]" 1
223 1 17 ALA H 1 18 VAL H . . 3.550 2.609 2.427 2.620 . 0 0 "[ . 1 . 2]" 1
224 1 17 ALA H 1 18 VAL HB . . 4.580 4.491 4.291 4.503 . 0 0 "[ . 1 . 2]" 1
225 1 17 ALA H 1 18 VAL MG2 . . 4.810 4.301 4.144 4.323 . 0 0 "[ . 1 . 2]" 1
226 1 17 ALA H 1 19 GLY H . . 4.650 4.257 4.137 4.269 . 0 0 "[ . 1 . 2]" 1
227 1 17 ALA H 1 20 PRO QD . . 4.300 4.197 4.158 4.201 . 0 0 "[ . 1 . 2]" 1
228 1 17 ALA HA 1 18 VAL H . . 3.560 3.434 3.433 3.440 . 0 0 "[ . 1 . 2]" 1
229 1 17 ALA HA 1 20 PRO QB . . 4.520 4.565 4.562 4.567 0.047 8 0 "[ . 1 . 2]" 1
230 1 17 ALA HA 1 20 PRO QD . . 3.790 2.518 2.509 2.527 . 0 0 "[ . 1 . 2]" 1
231 1 17 ALA HA 1 20 PRO QG . . 3.650 2.554 2.552 2.556 . 0 0 "[ . 1 . 2]" 1
232 1 17 ALA HA 1 21 ALA H . . 4.560 4.227 4.225 4.231 . 0 0 "[ . 1 . 2]" 1
233 1 17 ALA MB 1 18 VAL H . . 3.430 3.169 3.143 3.208 . 0 0 "[ . 1 . 2]" 1
234 1 17 ALA MB 1 18 VAL MG2 . . 3.860 3.660 3.605 3.723 . 0 0 "[ . 1 . 2]" 1
235 1 18 VAL H 1 18 VAL HB . . 3.240 2.131 2.130 2.133 . 0 0 "[ . 1 . 2]" 1
236 1 18 VAL H 1 18 VAL MG1 . . 3.570 3.578 3.578 3.580 0.010 20 0 "[ . 1 . 2]" 1
237 1 18 VAL H 1 18 VAL MG2 . . 3.500 2.791 2.787 2.800 . 0 0 "[ . 1 . 2]" 1
238 1 18 VAL H 1 19 GLY H . . 4.010 2.386 2.383 2.387 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL H 1 19 GLY QA . . 5.410 4.248 4.245 4.249 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL H 1 20 PRO QD . . 3.950 3.270 3.267 3.274 . 0 0 "[ . 1 . 2]" 1
241 1 18 VAL H 1 21 ALA H . . 4.490 4.530 4.528 4.537 0.047 20 0 "[ . 1 . 2]" 1
242 1 18 VAL HA 1 18 VAL MG1 . . 3.650 2.598 2.596 2.600 . 0 0 "[ . 1 . 2]" 1
243 1 18 VAL HA 1 18 VAL MG2 . . 3.610 2.060 2.058 2.065 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL HA 1 21 ALA H . . 5.500 3.166 3.164 3.171 . 0 0 "[ . 1 . 2]" 1
245 1 18 VAL HA 1 21 ALA MB . . 3.740 1.862 1.861 1.863 . 0 0 "[ . 1 . 2]" 1
246 1 18 VAL HB 1 19 GLY H . . 3.480 3.053 3.045 3.068 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL HB 1 19 GLY QA . . 4.280 4.294 4.293 4.296 0.016 20 0 "[ . 1 . 2]" 1
248 1 18 VAL MG1 1 19 GLY H . . 3.950 3.406 3.397 3.424 . 0 0 "[ . 1 . 2]" 1
249 1 18 VAL MG1 1 19 GLY QA . . 3.590 3.325 3.320 3.334 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL MG1 1 21 ALA H . . 4.370 4.365 4.363 4.371 0.001 20 0 "[ . 1 . 2]" 1
251 1 18 VAL MG1 1 21 ALA MB . . 3.660 3.035 3.029 3.053 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL MG1 1 22 ASP H . . 4.320 4.328 4.327 4.331 0.011 10 0 "[ . 1 . 2]" 1
253 1 18 VAL MG2 1 19 GLY H . . 4.280 4.226 4.224 4.230 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL MG2 1 21 ALA H . . 4.800 4.831 4.828 4.836 0.036 20 0 "[ . 1 . 2]" 1
255 1 18 VAL MG2 1 21 ALA MB . . 4.180 3.111 3.104 3.121 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLY H 1 20 PRO QB . . 5.500 5.354 5.341 5.359 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLY H 1 20 PRO QD . . 3.260 2.224 2.211 2.230 . 0 0 "[ . 1 . 2]" 1
258 1 19 GLY H 1 20 PRO QG . . 4.460 4.188 4.174 4.194 . 0 0 "[ . 1 . 2]" 1
259 1 19 GLY H 1 21 ALA H . . 4.600 3.766 3.755 3.775 . 0 0 "[ . 1 . 2]" 1
260 1 19 GLY H 1 21 ALA MB . . 4.450 4.201 4.194 4.205 . 0 0 "[ . 1 . 2]" 1
261 1 19 GLY H 1 22 ASP H . . 5.500 5.184 5.160 5.190 . 0 0 "[ . 1 . 2]" 1
262 1 19 GLY H 1 22 ASP QB . . 5.500 5.601 5.595 5.607 0.107 10 0 "[ . 1 . 2]" 1
263 1 19 GLY QA 1 21 ALA MB . . 4.310 4.421 4.416 4.434 0.124 10 0 "[ . 1 . 2]" 1
264 1 20 PRO QB 1 21 ALA H . . 3.680 3.404 3.399 3.413 . 0 0 "[ . 1 . 2]" 1
265 1 20 PRO QD 1 21 ALA H . . 3.710 2.269 2.267 2.272 . 0 0 "[ . 1 . 2]" 1
266 1 20 PRO QD 1 22 ASP H . . 4.310 4.309 4.293 4.314 0.004 13 0 "[ . 1 . 2]" 1
267 1 20 PRO QD 1 23 TRP HD1 . . 4.810 4.736 4.731 4.740 . 0 0 "[ . 1 . 2]" 1
268 1 20 PRO QG 1 21 ALA H . . 4.240 3.064 3.057 3.075 . 0 0 "[ . 1 . 2]" 1
269 1 21 ALA H 1 21 ALA MB . . 3.010 2.157 2.156 2.158 . 0 0 "[ . 1 . 2]" 1
270 1 21 ALA H 1 22 ASP H . . 3.690 2.719 2.701 2.725 . 0 0 "[ . 1 . 2]" 1
271 1 21 ALA H 1 22 ASP QB . . 4.410 4.358 4.350 4.366 . 0 0 "[ . 1 . 2]" 1
272 1 21 ALA HA 1 23 TRP H . . 4.340 4.066 4.024 4.085 . 0 0 "[ . 1 . 2]" 1
273 1 21 ALA HA 1 23 TRP HE1 . . 5.270 5.130 5.127 5.134 . 0 0 "[ . 1 . 2]" 1
274 1 21 ALA HA 1 24 VAL H . . 3.910 3.275 3.261 3.322 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA HA 1 24 VAL HA . . 5.500 5.286 5.253 5.387 . 0 0 "[ . 1 . 2]" 1
276 1 21 ALA HA 1 24 VAL HB . . 3.790 2.746 2.716 2.845 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA HA 1 24 VAL MG1 . . 4.510 2.624 2.579 2.752 . 0 0 "[ . 1 . 2]" 1
278 1 21 ALA HA 1 24 VAL QG . . 3.150 2.597 2.554 2.719 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA HA 1 24 VAL MG2 . . 4.510 4.151 4.118 4.245 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 22 ASP HA . . 5.290 3.908 3.906 3.916 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 24 VAL QG . . 4.590 3.284 3.245 3.394 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASP H 1 22 ASP QB . . 3.610 2.060 2.057 2.083 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASP H 1 23 TRP H . . 3.810 2.480 2.436 2.491 . 0 0 "[ . 1 . 2]" 1
284 1 22 ASP H 1 23 TRP HA . . 5.140 5.067 5.023 5.079 . 0 0 "[ . 1 . 2]" 1
285 1 22 ASP H 1 23 TRP HD1 . . 5.500 4.691 4.679 4.709 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASP H 1 24 VAL H . . 4.340 4.174 4.157 4.204 . 0 0 "[ . 1 . 2]" 1
287 1 22 ASP H 1 24 VAL HB . . 5.370 5.224 5.199 5.280 . 0 0 "[ . 1 . 2]" 1
288 1 22 ASP H 1 25 ILE HB . . 5.390 5.170 5.151 5.188 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASP H 1 25 ILE MG . . 4.290 4.244 4.237 4.257 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASP HA 1 24 VAL QG . . 5.440 4.633 4.620 4.654 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP HA 1 25 ILE H . . 3.990 3.644 3.620 3.660 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASP HA 1 25 ILE HB . . 4.200 3.530 3.443 3.564 . 0 0 "[ . 1 . 2]" 1
293 1 22 ASP HA 1 26 SER H . . 4.080 3.809 3.782 3.855 . 0 0 "[ . 1 . 2]" 1
294 1 22 ASP QB 1 23 TRP H . . 3.840 2.762 2.731 2.898 . 0 0 "[ . 1 . 2]" 1
295 1 23 TRP H 1 23 TRP HB2 . . 4.030 3.516 3.510 3.519 . 0 0 "[ . 1 . 2]" 1
296 1 23 TRP H 1 23 TRP QB . . 3.330 2.244 2.231 2.250 . 0 0 "[ . 1 . 2]" 1
297 1 23 TRP H 1 23 TRP HB3 . . 4.030 2.271 2.257 2.277 . 0 0 "[ . 1 . 2]" 1
298 1 23 TRP H 1 23 TRP HD1 . . 4.130 3.242 3.227 3.273 . 0 0 "[ . 1 . 2]" 1
299 1 23 TRP H 1 23 TRP HE1 . . 5.450 5.282 5.263 5.322 . 0 0 "[ . 1 . 2]" 1
300 1 23 TRP H 1 23 TRP HE3 . . 5.010 4.878 4.874 4.885 . 0 0 "[ . 1 . 2]" 1
301 1 23 TRP H 1 24 VAL H . . 3.510 2.564 2.560 2.573 . 0 0 "[ . 1 . 2]" 1
302 1 23 TRP H 1 24 VAL HB . . 4.470 4.292 4.290 4.304 . 0 0 "[ . 1 . 2]" 1
303 1 23 TRP H 1 24 VAL MG1 . . 4.630 4.681 4.670 4.696 0.066 16 0 "[ . 1 . 2]" 1
304 1 23 TRP H 1 25 ILE MG . . 4.280 4.312 4.304 4.315 0.035 11 0 "[ . 1 . 2]" 1
305 1 23 TRP HA 1 23 TRP HD1 . . 4.870 4.848 4.844 4.857 . 0 0 "[ . 1 . 2]" 1
306 1 23 TRP HA 1 23 TRP HE3 . . 4.810 3.429 3.400 3.444 . 0 0 "[ . 1 . 2]" 1
307 1 23 TRP HA 1 26 SER H . . 4.100 3.303 3.282 3.340 . 0 0 "[ . 1 . 2]" 1
308 1 23 TRP HA 1 27 ALA H . . 4.550 3.991 3.983 4.006 . 0 0 "[ . 1 . 2]" 1
309 1 23 TRP HB2 1 23 TRP HD1 . . 3.900 3.671 3.666 3.674 . 0 0 "[ . 1 . 2]" 1
310 1 23 TRP HD1 1 24 VAL H . . 5.100 3.525 3.493 3.541 . 0 0 "[ . 1 . 2]" 1
311 1 23 TRP HE3 1 24 VAL H . . 4.110 3.620 3.613 3.635 . 0 0 "[ . 1 . 2]" 1
312 1 23 TRP HE3 1 24 VAL HA . . 3.520 2.779 2.766 2.809 . 0 0 "[ . 1 . 2]" 1
313 1 23 TRP HE3 1 24 VAL HB . . 5.500 4.732 4.716 4.763 . 0 0 "[ . 1 . 2]" 1
314 1 23 TRP HE3 1 24 VAL MG1 . . 5.220 5.178 5.168 5.198 . 0 0 "[ . 1 . 2]" 1
315 1 23 TRP HE3 1 24 VAL QG . . 4.180 3.913 3.904 3.935 . 0 0 "[ . 1 . 2]" 1
316 1 23 TRP HE3 1 24 VAL MG2 . . 4.920 4.050 4.040 4.075 . 0 0 "[ . 1 . 2]" 1
317 1 23 TRP HE3 1 25 ILE H . . 5.380 5.281 5.266 5.306 . 0 0 "[ . 1 . 2]" 1
318 1 23 TRP HE3 1 26 SER H . . 5.150 4.618 4.587 4.631 . 0 0 "[ . 1 . 2]" 1
319 1 23 TRP HE3 1 27 ALA H . . 4.790 3.340 3.258 3.382 . 0 0 "[ . 1 . 2]" 1
320 1 23 TRP HH2 1 24 VAL H . . 5.500 5.560 5.553 5.575 0.075 20 0 "[ . 1 . 2]" 1
321 1 23 TRP HH2 1 24 VAL HA . . 4.890 3.662 3.651 3.668 . 0 0 "[ . 1 . 2]" 1
322 1 23 TRP HH2 1 24 VAL QG . . 5.440 2.626 2.619 2.647 . 0 0 "[ . 1 . 2]" 1
323 1 24 VAL H 1 24 VAL HB . . 3.570 1.963 1.960 1.965 . 0 0 "[ . 1 . 2]" 1
324 1 24 VAL H 1 24 VAL MG1 . . 3.290 3.045 3.037 3.060 . 0 0 "[ . 1 . 2]" 1
325 1 24 VAL H 1 24 VAL MG2 . . 3.570 3.329 3.319 3.335 . 0 0 "[ . 1 . 2]" 1
326 1 24 VAL H 1 25 ILE H . . 5.310 2.824 2.818 2.833 . 0 0 "[ . 1 . 2]" 1
327 1 24 VAL H 1 25 ILE HA . . 5.500 5.338 5.334 5.343 . 0 0 "[ . 1 . 2]" 1
328 1 24 VAL H 1 25 ILE HB . . 5.500 4.812 4.801 4.816 . 0 0 "[ . 1 . 2]" 1
329 1 24 VAL H 1 26 SER H . . 4.260 3.859 3.844 3.885 . 0 0 "[ . 1 . 2]" 1
330 1 24 VAL HA 1 26 SER H . . 4.800 4.233 4.203 4.247 . 0 0 "[ . 1 . 2]" 1
331 1 24 VAL HA 1 27 ALA H . . 4.000 3.344 3.321 3.354 . 0 0 "[ . 1 . 2]" 1
332 1 24 VAL HB 1 25 ILE H . . 3.960 3.229 3.206 3.242 . 0 0 "[ . 1 . 2]" 1
333 1 24 VAL HB 1 25 ILE HA . . 5.500 5.290 5.272 5.301 . 0 0 "[ . 1 . 2]" 1
334 1 24 VAL HB 1 26 SER H . . 5.500 5.123 5.119 5.130 . 0 0 "[ . 1 . 2]" 1
335 1 24 VAL HB 1 27 ALA H . . 5.500 5.537 5.519 5.564 0.064 16 0 "[ . 1 . 2]" 1
336 1 24 VAL MG1 1 25 ILE H . . 3.920 1.891 1.880 1.897 . 0 0 "[ . 1 . 2]" 1
337 1 24 VAL MG1 1 27 ALA H . . 4.650 4.610 4.585 4.656 0.006 16 0 "[ . 1 . 2]" 1
338 1 25 ILE H 1 25 ILE HB . . 2.790 2.129 2.113 2.136 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE H 1 25 ILE MG . . 3.530 2.624 2.604 2.665 . 0 0 "[ . 1 . 2]" 1
340 1 25 ILE H 1 26 SER H . . 3.600 2.603 2.577 2.650 . 0 0 "[ . 1 . 2]" 1
341 1 25 ILE H 1 26 SER QB . . 5.500 4.319 4.276 4.406 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE HA 1 25 ILE MG . . 3.320 3.161 3.157 3.163 . 0 0 "[ . 1 . 2]" 1
343 1 25 ILE HA 1 26 SER HA . . 5.500 4.734 4.728 4.741 . 0 0 "[ . 1 . 2]" 1
344 1 25 ILE HA 1 27 ALA H . . 4.550 4.292 4.214 4.441 . 0 0 "[ . 1 . 2]" 1
345 1 25 ILE HA 1 28 VAL H . . 3.430 3.181 3.177 3.193 . 0 0 "[ . 1 . 2]" 1
346 1 25 ILE HA 1 28 VAL HB . . 4.040 2.472 2.306 2.563 . 0 0 "[ . 1 . 2]" 1
347 1 25 ILE HA 1 28 VAL QG . . 4.080 2.225 1.991 2.417 . 0 0 "[ . 1 . 2]" 1
348 1 25 ILE HA 1 29 ARG H . . 4.050 4.027 3.986 4.057 0.007 17 0 "[ . 1 . 2]" 1
349 1 25 ILE HA 1 29 ARG HE . . 5.500 5.503 5.454 5.515 0.015 14 0 "[ . 1 . 2]" 1
350 1 25 ILE HB 1 26 SER H . . 3.650 3.758 3.752 3.761 0.111 4 0 "[ . 1 . 2]" 1
351 1 25 ILE MG 1 26 SER H . . 3.160 2.107 2.032 2.149 . 0 0 "[ . 1 . 2]" 1
352 1 25 ILE MG 1 27 ALA H . . 4.300 4.345 4.338 4.360 0.060 20 0 "[ . 1 . 2]" 1
353 1 25 ILE MG 1 29 ARG HE . . 4.050 3.480 3.429 3.529 . 0 0 "[ . 1 . 2]" 1
354 1 26 SER H 1 26 SER QB . . 2.710 2.143 2.135 2.175 . 0 0 "[ . 1 . 2]" 1
355 1 26 SER H 1 27 ALA H . . 5.030 2.593 2.565 2.637 . 0 0 "[ . 1 . 2]" 1
356 1 26 SER H 1 28 VAL HB . . 5.140 4.964 4.802 5.052 . 0 0 "[ . 1 . 2]" 1
357 1 26 SER H 1 29 ARG QD . . 4.440 3.951 3.632 4.534 0.094 20 0 "[ . 1 . 2]" 1
358 1 26 SER HA 1 29 ARG H . . 3.920 3.503 3.457 3.590 . 0 0 "[ . 1 . 2]" 1
359 1 26 SER HA 1 29 ARG QD . . 3.970 1.885 1.872 1.910 . 0 0 "[ . 1 . 2]" 1
360 1 26 SER HA 1 29 ARG HE . . 4.620 4.036 3.551 4.294 . 0 0 "[ . 1 . 2]" 1
361 1 26 SER HA 1 30 GLY H . . 4.250 3.980 3.826 4.264 0.014 17 0 "[ . 1 . 2]" 1
362 1 26 SER QB 1 27 ALA H . . 3.250 2.769 2.680 2.829 . 0 0 "[ . 1 . 2]" 1
363 1 27 ALA H 1 28 VAL H . . 3.370 2.490 2.485 2.493 . 0 0 "[ . 1 . 2]" 1
364 1 27 ALA H 1 28 VAL HA . . 5.070 5.054 5.035 5.065 . 0 0 "[ . 1 . 2]" 1
365 1 27 ALA H 1 28 VAL HB . . 4.620 4.627 4.620 4.631 0.011 12 0 "[ . 1 . 2]" 1
366 1 27 ALA H 1 29 ARG H . . 4.580 4.332 4.308 4.377 . 0 0 "[ . 1 . 2]" 1
367 1 28 VAL H 1 28 VAL HB . . 3.280 2.364 2.360 2.373 . 0 0 "[ . 1 . 2]" 1
368 1 28 VAL H 1 28 VAL MG2 . . 3.010 2.252 2.178 2.332 . 0 0 "[ . 1 . 2]" 1
369 1 28 VAL H 1 29 ARG H . . 3.390 2.683 2.655 2.736 . 0 0 "[ . 1 . 2]" 1
370 1 28 VAL H 1 30 GLY H . . 4.300 3.635 3.601 3.698 . 0 0 "[ . 1 . 2]" 1
371 1 28 VAL H 1 31 PHE H . . 4.980 4.537 4.526 4.544 . 0 0 "[ . 1 . 2]" 1
372 1 28 VAL HA 1 28 VAL QG . . 3.130 2.147 2.119 2.176 . 0 0 "[ . 1 . 2]" 1
373 1 28 VAL HA 1 30 GLY H . . 4.480 4.191 4.186 4.195 . 0 0 "[ . 1 . 2]" 1
374 1 28 VAL HA 1 31 PHE H . . 3.790 3.512 3.472 3.535 . 0 0 "[ . 1 . 2]" 1
375 1 28 VAL HA 1 31 PHE QB . . 3.790 2.856 2.772 2.901 . 0 0 "[ . 1 . 2]" 1
376 1 28 VAL HA 1 31 PHE QD . . 4.940 3.108 3.043 3.143 . 0 0 "[ . 1 . 2]" 1
377 1 28 VAL HA 1 32 ILE H . . 4.360 4.356 4.339 4.362 0.002 3 0 "[ . 1 . 2]" 1
378 1 28 VAL HA 1 32 ILE MG . . 6.000 5.923 5.920 5.933 . 0 0 "[ . 1 . 2]" 1
379 1 28 VAL HB 1 29 ARG H . . 3.490 2.458 2.446 2.478 . 0 0 "[ . 1 . 2]" 1
380 1 28 VAL HB 1 29 ARG HE . . 5.190 5.226 5.219 5.231 0.041 10 0 "[ . 1 . 2]" 1
381 1 28 VAL HB 1 30 GLY H . . 4.760 4.617 4.606 4.639 . 0 0 "[ . 1 . 2]" 1
382 1 28 VAL HB 1 31 PHE H . . 5.500 5.458 5.430 5.473 . 0 0 "[ . 1 . 2]" 1
383 1 28 VAL QG 1 29 ARG QB . . 5.440 3.918 3.879 3.939 . 0 0 "[ . 1 . 2]" 1
384 1 28 VAL QG 1 31 PHE QB . . 5.440 3.902 3.837 3.943 . 0 0 "[ . 1 . 2]" 1
385 1 28 VAL QG 1 31 PHE QE . . 5.440 4.258 4.226 4.276 . 0 0 "[ . 1 . 2]" 1
386 1 28 VAL MG1 1 29 ARG H . . 3.330 3.336 3.334 3.339 0.009 16 0 "[ . 1 . 2]" 1
387 1 28 VAL MG1 1 30 GLY H . . 5.110 4.797 4.793 4.800 . 0 0 "[ . 1 . 2]" 1
388 1 28 VAL MG1 1 31 PHE QD . . 5.500 3.424 3.372 3.451 . 0 0 "[ . 1 . 2]" 1
389 1 28 VAL MG1 1 32 ILE H . . 4.330 4.339 4.334 4.342 0.012 12 0 "[ . 1 . 2]" 1
390 1 28 VAL MG2 1 29 ARG H . . 3.880 3.852 3.841 3.868 . 0 0 "[ . 1 . 2]" 1
391 1 28 VAL MG2 1 31 PHE QD . . 5.500 4.669 4.586 4.717 . 0 0 "[ . 1 . 2]" 1
392 1 29 ARG H 1 29 ARG QB . . 3.030 2.425 2.214 2.540 . 0 0 "[ . 1 . 2]" 1
393 1 29 ARG H 1 29 ARG QD . . 3.540 3.248 3.075 3.570 0.030 15 0 "[ . 1 . 2]" 1
394 1 29 ARG H 1 29 ARG HE . . 4.420 4.005 3.884 4.070 . 0 0 "[ . 1 . 2]" 1
395 1 29 ARG H 1 29 ARG QG . . 3.720 2.185 1.922 2.674 . 0 0 "[ . 1 . 2]" 1
396 1 29 ARG H 1 30 GLY H . . 3.460 2.512 2.510 2.516 . 0 0 "[ . 1 . 2]" 1
397 1 29 ARG H 1 31 PHE H . . 4.820 4.144 4.112 4.162 . 0 0 "[ . 1 . 2]" 1
398 1 29 ARG H 1 31 PHE QD . . 5.500 5.534 5.529 5.538 0.038 1 0 "[ . 1 . 2]" 1
399 1 29 ARG H 1 32 ILE H . . 5.050 4.711 4.705 4.722 . 0 0 "[ . 1 . 2]" 1
400 1 29 ARG HA 1 29 ARG QD . . 4.630 4.632 4.590 4.711 0.081 17 0 "[ . 1 . 2]" 1
401 1 29 ARG HA 1 29 ARG HE . . 4.680 4.584 4.521 4.699 0.019 16 0 "[ . 1 . 2]" 1
402 1 29 ARG HA 1 29 ARG QG . . 3.570 3.318 3.283 3.337 . 0 0 "[ . 1 . 2]" 1
403 1 29 ARG HA 1 32 ILE QG . . 4.970 4.419 4.397 4.462 . 0 0 "[ . 1 . 2]" 1
404 1 29 ARG HA 1 32 ILE MG . . 3.810 2.649 2.616 2.713 . 0 0 "[ . 1 . 2]" 1
405 1 29 ARG HA 1 33 HIS HD2 . . 4.710 4.794 4.792 4.798 0.088 14 0 "[ . 1 . 2]" 1
406 1 29 ARG QB 1 29 ARG HE . . 2.880 2.051 2.047 2.059 . 0 0 "[ . 1 . 2]" 1
407 1 29 ARG QB 1 30 GLY H . . 3.670 3.620 3.581 3.641 . 0 0 "[ . 1 . 2]" 1
408 1 29 ARG QD 1 30 GLY H . . 4.180 4.081 3.967 4.143 . 0 0 "[ . 1 . 2]" 1
409 1 29 ARG HE 1 29 ARG QG . . 3.380 3.327 3.318 3.332 . 0 0 "[ . 1 . 2]" 1
410 1 29 ARG HE 1 30 GLY H . . 6.000 5.616 5.404 5.730 . 0 0 "[ . 1 . 2]" 1
411 1 29 ARG QG 1 30 GLY H . . 4.320 2.174 2.139 2.193 . 0 0 "[ . 1 . 2]" 1
412 1 29 ARG QG 1 31 PHE H . . 4.500 4.390 4.344 4.415 . 0 0 "[ . 1 . 2]" 1
413 1 29 ARG QG 1 33 HIS HD2 . . 5.400 3.948 3.592 4.138 . 0 0 "[ . 1 . 2]" 1
414 1 30 GLY H 1 30 GLY QA . . 2.590 2.179 2.177 2.183 . 0 0 "[ . 1 . 2]" 1
415 1 30 GLY H 1 31 PHE H . . 3.280 2.507 2.480 2.523 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLY H 1 31 PHE HA . . 5.450 5.097 5.073 5.110 . 0 0 "[ . 1 . 2]" 1
417 1 30 GLY H 1 31 PHE QB . . 4.230 4.044 4.014 4.060 . 0 0 "[ . 1 . 2]" 1
418 1 30 GLY H 1 31 PHE QD . . 5.500 5.340 5.334 5.349 . 0 0 "[ . 1 . 2]" 1
419 1 30 GLY H 1 32 ILE MG . . 4.750 4.667 4.665 4.668 . 0 0 "[ . 1 . 2]" 1
420 1 30 GLY QA 1 31 PHE H . . 3.290 2.828 2.823 2.837 . 0 0 "[ . 1 . 2]" 1
421 1 30 GLY QA 1 33 HIS H . . 3.800 3.730 3.719 3.736 . 0 0 "[ . 1 . 2]" 1
422 1 31 PHE H 1 31 PHE QB . . 2.940 1.910 1.909 1.912 . 0 0 "[ . 1 . 2]" 1
423 1 31 PHE H 1 31 PHE QD . . 3.650 3.518 3.504 3.541 . 0 0 "[ . 1 . 2]" 1
424 1 31 PHE H 1 32 ILE HB . . 4.390 4.208 4.203 4.217 . 0 0 "[ . 1 . 2]" 1
425 1 31 PHE H 1 32 ILE MG . . 4.450 4.488 4.472 4.498 0.048 12 0 "[ . 1 . 2]" 1
426 1 31 PHE HA 1 31 PHE QD . . 3.440 3.190 3.165 3.203 . 0 0 "[ . 1 . 2]" 1
427 1 31 PHE HA 1 33 HIS H . . 4.230 4.108 4.102 4.112 . 0 0 "[ . 1 . 2]" 1
428 1 31 PHE HA 1 34 GLY H . . 4.010 2.869 2.858 2.875 . 0 0 "[ . 1 . 2]" 1
429 1 31 PHE QB 1 32 ILE H . . 3.280 3.039 3.034 3.047 . 0 0 "[ . 1 . 2]" 1
430 1 31 PHE QB 1 32 ILE HA . . 4.730 4.517 4.513 4.519 . 0 0 "[ . 1 . 2]" 1
431 1 31 PHE QD 1 32 ILE H . . 3.740 2.973 2.936 3.041 . 0 0 "[ . 1 . 2]" 1
432 1 31 PHE QD 1 32 ILE HA . . 5.500 3.364 3.345 3.399 . 0 0 "[ . 1 . 2]" 1
433 1 31 PHE QD 1 32 ILE MD . . 3.780 3.781 3.780 3.781 0.001 3 0 "[ . 1 . 2]" 1
434 1 31 PHE QD 1 33 HIS H . . 5.500 5.231 5.212 5.266 . 0 0 "[ . 1 . 2]" 1
435 1 31 PHE QD 1 34 GLY H . . 4.970 4.640 4.623 4.649 . 0 0 "[ . 1 . 2]" 1
436 1 31 PHE QE 1 32 ILE HA . . 5.500 3.746 3.718 3.800 . 0 0 "[ . 1 . 2]" 1
437 1 32 ILE H 1 32 ILE HB . . 3.290 2.064 2.058 2.072 . 0 0 "[ . 1 . 2]" 1
438 1 32 ILE H 1 32 ILE QG . . 3.820 3.774 3.763 3.794 . 0 0 "[ . 1 . 2]" 1
439 1 32 ILE H 1 32 ILE MG . . 3.150 2.757 2.732 2.770 . 0 0 "[ . 1 . 2]" 1
440 1 32 ILE H 1 33 HIS H . . 2.760 2.731 2.727 2.733 . 0 0 "[ . 1 . 2]" 1
441 1 32 ILE H 1 33 HIS HD2 . . 5.490 4.250 4.152 4.302 . 0 0 "[ . 1 . 2]" 1
442 1 32 ILE HA 1 32 ILE MD . . 3.540 3.365 3.325 3.386 . 0 0 "[ . 1 . 2]" 1
443 1 32 ILE HA 1 33 HIS H . . 3.610 3.599 3.598 3.600 . 0 0 "[ . 1 . 2]" 1
444 1 32 ILE HA 1 34 GLY H . . 4.070 3.909 3.905 3.916 . 0 0 "[ . 1 . 2]" 1
445 1 32 ILE HB 1 32 ILE MD . . 3.650 2.158 2.112 2.181 . 0 0 "[ . 1 . 2]" 1
446 1 32 ILE HB 1 33 HIS H . . 3.920 3.602 3.594 3.616 . 0 0 "[ . 1 . 2]" 1
447 1 32 ILE HB 1 33 HIS HB3 . . 5.500 5.396 5.386 5.413 . 0 0 "[ . 1 . 2]" 1
448 1 32 ILE HB 1 33 HIS HD2 . . 5.250 5.109 5.027 5.152 . 0 0 "[ . 1 . 2]" 1
449 1 32 ILE QG 1 32 ILE MG . . 3.190 2.132 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
450 1 32 ILE QG 1 33 HIS H . . 4.550 4.327 4.316 4.333 . 0 0 "[ . 1 . 2]" 1
451 1 32 ILE QG 1 34 GLY H . . 5.240 5.295 5.292 5.296 0.056 4 0 "[ . 1 . 2]" 1
452 1 32 ILE MG 1 33 HIS H . . 3.220 1.918 1.913 1.922 . 0 0 "[ . 1 . 2]" 1
453 1 32 ILE MG 1 33 HIS HD2 . . 4.930 3.081 2.982 3.134 . 0 0 "[ . 1 . 2]" 1
454 1 32 ILE MG 1 34 GLY H . . 4.490 3.951 3.943 3.956 . 0 0 "[ . 1 . 2]" 1
455 1 33 HIS H 1 33 HIS HB2 . . 3.600 3.594 3.592 3.596 . 0 0 "[ . 1 . 2]" 1
456 1 33 HIS H 1 33 HIS QB . . 2.810 2.543 2.536 2.556 . 0 0 "[ . 1 . 2]" 1
457 1 33 HIS H 1 33 HIS HB3 . . 3.300 2.600 2.593 2.616 . 0 0 "[ . 1 . 2]" 1
458 1 33 HIS H 1 33 HIS HD2 . . 3.940 2.710 2.632 2.752 . 0 0 "[ . 1 . 2]" 1
459 1 33 HIS H 1 34 GLY H . . 2.980 2.369 2.359 2.375 . 0 0 "[ . 1 . 2]" 1
460 1 33 HIS H 1 34 GLY QA . . 4.600 4.255 4.176 4.389 . 0 0 "[ . 1 . 2]" 1
461 1 33 HIS HA 1 33 HIS HD2 . . 5.140 4.693 4.661 4.711 . 0 0 "[ . 1 . 2]" 1
462 1 33 HIS HA 1 34 GLY H . . 3.410 3.431 3.428 3.433 0.023 3 0 "[ . 1 . 2]" 1
463 1 33 HIS HB2 1 34 GLY H . . 4.280 4.338 4.336 4.339 0.059 12 0 "[ . 1 . 2]" 1
464 1 33 HIS HB2 1 34 GLY QA . . 4.800 4.672 4.613 4.795 . 0 0 "[ . 1 . 2]" 1
465 1 33 HIS HB3 1 34 GLY H . . 4.280 4.268 4.263 4.276 . 0 0 "[ . 1 . 2]" 1
466 1 34 GLY H 1 34 GLY QA . . 2.500 2.279 2.154 2.495 . 0 0 "[ . 1 . 2]" 1
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