NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533082 |
2khu   |
16882 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khu
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 719
_Distance_constraint_stats_list.Viol_count 599
_Distance_constraint_stats_list.Viol_total 590.518
_Distance_constraint_stats_list.Viol_max 0.355
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0394
_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 61 LYS 0.209 0.107 20 0 "[ . 1 . 2 .]"
1 62 ILE 1.422 0.084 24 0 "[ . 1 . 2 .]"
1 63 THR 0.022 0.022 24 0 "[ . 1 . 2 .]"
1 64 PHE 2.667 0.123 23 0 "[ . 1 . 2 .]"
1 65 PRO 2.504 0.090 17 0 "[ . 1 . 2 .]"
1 66 SER 0.026 0.021 21 0 "[ . 1 . 2 .]"
1 67 ASP 0.026 0.021 21 0 "[ . 1 . 2 .]"
1 68 ILE 2.637 0.101 20 0 "[ . 1 . 2 .]"
1 69 ASP 2.150 0.101 20 0 "[ . 1 . 2 .]"
1 70 PRO 0.998 0.058 19 0 "[ . 1 . 2 .]"
1 71 GLN 0.617 0.177 21 0 "[ . 1 . 2 .]"
1 72 VAL 0.372 0.059 15 0 "[ . 1 . 2 .]"
1 73 PHE 3.450 0.086 20 0 "[ . 1 . 2 .]"
1 74 TYR 1.461 0.084 20 0 "[ . 1 . 2 .]"
1 75 GLU 0.707 0.092 17 0 "[ . 1 . 2 .]"
1 76 LEU 0.743 0.089 20 0 "[ . 1 . 2 .]"
1 77 PRO 0.108 0.033 13 0 "[ . 1 . 2 .]"
1 78 GLU 0.694 0.083 7 0 "[ . 1 . 2 .]"
1 79 ALA 0.379 0.056 20 0 "[ . 1 . 2 .]"
1 80 VAL 0.543 0.081 8 0 "[ . 1 . 2 .]"
1 81 GLN 4.436 0.174 12 0 "[ . 1 . 2 .]"
1 82 LYS 1.919 0.087 5 0 "[ . 1 . 2 .]"
1 83 GLU 0.604 0.081 8 0 "[ . 1 . 2 .]"
1 84 LEU 1.795 0.087 5 0 "[ . 1 . 2 .]"
1 85 LEU 3.598 0.123 23 0 "[ . 1 . 2 .]"
1 86 ALA 0.062 0.034 13 0 "[ . 1 . 2 .]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 TRP 1.707 0.064 8 0 "[ . 1 . 2 .]"
1 89 LYS 0.347 0.052 21 0 "[ . 1 . 2 .]"
1 90 ARG 3.686 0.355 13 0 "[ . 1 . 2 .]"
1 91 THR 0.644 0.122 9 0 "[ . 1 . 2 .]"
1 92 GLY 0.093 0.043 21 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 61 LYS H 1 61 LYS QB 3.020 . 3.220 2.478 2.160 3.206 . 0 0 "[ . 1 . 2 .]" 1
2 1 61 LYS H 1 61 LYS QG 4.700 . 4.900 3.214 1.791 4.352 0.009 20 0 "[ . 1 . 2 .]" 1
3 1 61 LYS HA 1 61 LYS QD 4.000 . 4.200 3.557 2.138 4.307 0.107 20 0 "[ . 1 . 2 .]" 1
4 1 61 LYS HA 1 61 LYS QE 4.520 . 4.720 4.217 3.226 4.712 . 0 0 "[ . 1 . 2 .]" 1
5 1 61 LYS HA 1 61 LYS QG 3.560 . 3.760 2.455 2.151 3.305 . 0 0 "[ . 1 . 2 .]" 1
6 1 61 LYS HA 1 62 ILE H 2.660 . 2.860 2.209 2.141 2.248 . 0 0 "[ . 1 . 2 .]" 1
7 1 61 LYS HA 1 62 ILE HB 5.420 . 5.620 4.743 4.556 4.899 . 0 0 "[ . 1 . 2 .]" 1
8 1 61 LYS HA 1 62 ILE HG13 4.350 . 4.550 3.890 3.726 4.094 . 0 0 "[ . 1 . 2 .]" 1
9 1 61 LYS QE 1 61 LYS HG2 3.490 . 3.690 2.665 2.151 3.356 . 0 0 "[ . 1 . 2 .]" 1
10 1 61 LYS QE 1 61 LYS HG3 3.490 . 3.690 2.615 2.147 3.306 . 0 0 "[ . 1 . 2 .]" 1
11 1 61 LYS QB 1 61 LYS QG 2.290 . 2.490 2.080 2.036 2.108 . 0 0 "[ . 1 . 2 .]" 1
12 1 61 LYS QB 1 62 ILE H 3.900 . 4.100 3.639 3.344 3.904 . 0 0 "[ . 1 . 2 .]" 1
13 1 62 ILE H 1 62 ILE HB 3.010 . 3.210 2.693 2.445 3.093 . 0 0 "[ . 1 . 2 .]" 1
14 1 62 ILE H 1 62 ILE HG12 3.840 . 4.040 3.923 3.685 4.110 0.070 25 0 "[ . 1 . 2 .]" 1
15 1 62 ILE H 1 62 ILE HG13 3.310 . 3.510 2.790 2.470 3.242 . 0 0 "[ . 1 . 2 .]" 1
16 1 62 ILE H 1 62 ILE MD 4.670 . 4.870 3.972 3.634 4.471 . 0 0 "[ . 1 . 2 .]" 1
17 1 62 ILE HA 1 62 ILE HG12 3.160 . 3.360 2.553 2.513 2.611 . 0 0 "[ . 1 . 2 .]" 1
18 1 62 ILE HA 1 62 ILE HG13 3.340 . 3.540 3.030 2.806 3.217 . 0 0 "[ . 1 . 2 .]" 1
19 1 62 ILE HA 1 62 ILE MD 3.840 . 4.040 3.820 3.804 3.849 . 0 0 "[ . 1 . 2 .]" 1
20 1 62 ILE HA 1 62 ILE MG 2.930 . 3.130 2.311 2.231 2.394 . 0 0 "[ . 1 . 2 .]" 1
21 1 62 ILE HA 1 63 THR H 2.810 . 3.010 2.228 2.177 2.337 . 0 0 "[ . 1 . 2 .]" 1
22 1 62 ILE HB 1 62 ILE HG13 2.480 . 2.680 2.499 2.460 2.549 . 0 0 "[ . 1 . 2 .]" 1
23 1 62 ILE HB 1 62 ILE MD 2.960 . 3.160 2.306 2.230 2.361 . 0 0 "[ . 1 . 2 .]" 1
24 1 62 ILE HB 1 63 THR H 4.080 . 4.280 4.031 3.906 4.206 . 0 0 "[ . 1 . 2 .]" 1
25 1 62 ILE HB 1 63 THR HA 4.670 . 4.870 4.731 4.620 4.841 . 0 0 "[ . 1 . 2 .]" 1
26 1 62 ILE HB 1 64 PHE H 5.570 . 5.770 5.471 5.334 5.644 . 0 0 "[ . 1 . 2 .]" 1
27 1 62 ILE HB 1 64 PHE HZ 5.300 . 5.500 3.555 2.878 4.361 . 0 0 "[ . 1 . 2 .]" 1
28 1 62 ILE HB 1 64 PHE QD 4.930 . 5.130 4.781 4.424 5.074 . 0 0 "[ . 1 . 2 .]" 1
29 1 62 ILE HB 1 64 PHE QE 4.730 . 4.930 3.381 2.828 3.968 . 0 0 "[ . 1 . 2 .]" 1
30 1 62 ILE HG13 1 63 THR H 5.150 . 5.350 5.030 4.825 5.212 . 0 0 "[ . 1 . 2 .]" 1
31 1 62 ILE MD 1 64 PHE HZ 3.840 . 4.040 2.754 2.289 3.227 . 0 0 "[ . 1 . 2 .]" 1
32 1 62 ILE MD 1 64 PHE QE 3.850 . 4.050 3.474 3.121 3.727 . 0 0 "[ . 1 . 2 .]" 1
33 1 62 ILE MD 1 73 PHE QD 5.200 . 5.400 5.150 4.486 5.484 0.084 24 0 "[ . 1 . 2 .]" 1
34 1 62 ILE MD 1 74 TYR QD 5.000 . 5.200 5.054 4.541 5.279 0.079 15 0 "[ . 1 . 2 .]" 1
35 1 62 ILE MD 1 74 TYR QE 3.970 . 4.170 3.287 2.749 3.507 . 0 0 "[ . 1 . 2 .]" 1
36 1 62 ILE MD 1 88 TRP HZ3 5.200 . 5.400 5.142 4.616 5.452 0.052 10 0 "[ . 1 . 2 .]" 1
37 1 62 ILE HG12 1 62 ILE MG 2.780 . 2.980 2.363 2.313 2.415 . 0 0 "[ . 1 . 2 .]" 1
38 1 62 ILE HG13 1 62 ILE MG 3.330 . 3.530 3.194 3.182 3.204 . 0 0 "[ . 1 . 2 .]" 1
39 1 62 ILE MD 1 62 ILE MG 2.310 . 2.510 1.879 1.766 2.010 0.034 18 0 "[ . 1 . 2 .]" 1
40 1 62 ILE MG 1 63 THR H 3.740 . 3.940 2.367 2.038 2.760 . 0 0 "[ . 1 . 2 .]" 1
41 1 62 ILE MG 1 63 THR HA 4.310 . 4.510 3.666 3.486 3.853 . 0 0 "[ . 1 . 2 .]" 1
42 1 62 ILE MG 1 64 PHE H 4.560 . 4.760 3.850 3.651 4.116 . 0 0 "[ . 1 . 2 .]" 1
43 1 62 ILE MG 1 64 PHE HA 4.330 . 4.530 4.083 3.821 4.277 . 0 0 "[ . 1 . 2 .]" 1
44 1 62 ILE MG 1 64 PHE HZ 3.540 . 3.740 2.379 2.204 2.640 . 0 0 "[ . 1 . 2 .]" 1
45 1 62 ILE MG 1 64 PHE QD 3.240 . 3.440 3.348 3.190 3.492 0.052 24 0 "[ . 1 . 2 .]" 1
46 1 62 ILE MG 1 64 PHE QE 3.240 . 3.440 2.603 2.453 2.719 . 0 0 "[ . 1 . 2 .]" 1
47 1 62 ILE MG 1 73 PHE QD 5.360 . 5.560 4.565 4.119 4.837 . 0 0 "[ . 1 . 2 .]" 1
48 1 62 ILE MG 1 73 PHE QE 4.200 . 4.400 4.288 3.795 4.450 0.050 18 0 "[ . 1 . 2 .]" 1
49 1 62 ILE MG 1 74 TYR QE 6.000 . 6.200 4.129 3.858 4.378 . 0 0 "[ . 1 . 2 .]" 1
50 1 62 ILE MG 1 85 LEU MD2 2.790 . 2.990 2.822 2.423 3.028 0.038 16 0 "[ . 1 . 2 .]" 1
51 1 62 ILE MG 1 85 LEU QD 2.800 . 3.000 2.776 2.396 2.970 . 0 0 "[ . 1 . 2 .]" 1
52 1 62 ILE MG 1 88 TRP HE3 3.930 . 4.130 3.706 3.167 4.091 . 0 0 "[ . 1 . 2 .]" 1
53 1 62 ILE MG 1 88 TRP HH2 5.050 . 5.250 4.961 4.605 5.164 . 0 0 "[ . 1 . 2 .]" 1
54 1 62 ILE MG 1 88 TRP HZ3 3.780 . 3.980 3.162 2.751 3.384 . 0 0 "[ . 1 . 2 .]" 1
55 1 63 THR H 1 63 THR HB 3.780 . 3.980 3.256 2.662 3.826 . 0 0 "[ . 1 . 2 .]" 1
56 1 63 THR H 1 63 THR MG 4.000 . 4.200 3.512 2.830 3.940 . 0 0 "[ . 1 . 2 .]" 1
57 1 63 THR HA 1 63 THR MG 2.670 . 2.870 2.249 2.125 2.379 . 0 0 "[ . 1 . 2 .]" 1
58 1 63 THR HA 1 64 PHE H 2.650 . 2.850 2.185 2.175 2.197 . 0 0 "[ . 1 . 2 .]" 1
59 1 63 THR HB 1 64 PHE H 4.310 . 4.510 3.915 3.486 4.342 . 0 0 "[ . 1 . 2 .]" 1
60 1 63 THR MG 1 64 PHE H 3.910 . 4.110 3.429 2.670 4.132 0.022 24 0 "[ . 1 . 2 .]" 1
61 1 64 PHE H 1 64 PHE HB2 3.040 . 3.240 2.550 2.474 2.600 . 0 0 "[ . 1 . 2 .]" 1
62 1 64 PHE H 1 64 PHE HB3 3.860 . 4.060 3.692 3.668 3.708 . 0 0 "[ . 1 . 2 .]" 1
63 1 64 PHE H 1 64 PHE QD 3.800 . 4.000 2.652 2.320 2.930 . 0 0 "[ . 1 . 2 .]" 1
64 1 64 PHE H 1 65 PRO QG 6.000 . 6.200 6.126 6.107 6.153 . 0 0 "[ . 1 . 2 .]" 1
65 1 64 PHE H 1 85 LEU MD2 6.100 . 6.300 6.333 6.254 6.423 0.123 23 0 "[ . 1 . 2 .]" 1
66 1 64 PHE HA 1 64 PHE QD 3.490 . 3.690 2.638 2.445 2.857 . 0 0 "[ . 1 . 2 .]" 1
67 1 64 PHE HA 1 64 PHE QE 4.700 . 4.900 4.562 4.464 4.665 . 0 0 "[ . 1 . 2 .]" 1
68 1 64 PHE HA 1 65 PRO HD2 2.650 . 2.850 2.366 2.324 2.421 . 0 0 "[ . 1 . 2 .]" 1
69 1 64 PHE HA 1 68 ILE MG 4.500 . 4.700 3.826 3.702 3.948 . 0 0 "[ . 1 . 2 .]" 1
70 1 64 PHE HA 1 88 TRP HE1 5.700 . 5.900 5.914 5.784 5.964 0.064 8 0 "[ . 1 . 2 .]" 1
71 1 64 PHE HB2 1 68 ILE HB 4.010 . 4.210 3.947 3.639 4.175 . 0 0 "[ . 1 . 2 .]" 1
72 1 64 PHE HB2 1 68 ILE MG 3.880 . 4.080 3.818 3.602 3.983 . 0 0 "[ . 1 . 2 .]" 1
73 1 64 PHE HB2 1 70 PRO HD3 4.370 . 4.570 4.248 3.587 4.557 . 0 0 "[ . 1 . 2 .]" 1
74 1 64 PHE HB3 1 68 ILE HA 5.460 . 5.660 5.028 4.846 5.231 . 0 0 "[ . 1 . 2 .]" 1
75 1 64 PHE HB3 1 68 ILE HB 3.240 . 3.440 2.534 2.268 2.817 . 0 0 "[ . 1 . 2 .]" 1
76 1 64 PHE HB3 1 68 ILE MG 2.960 . 3.160 2.362 2.230 2.503 . 0 0 "[ . 1 . 2 .]" 1
77 1 64 PHE HB3 1 88 TRP HH2 5.320 . 5.520 4.087 3.875 4.412 . 0 0 "[ . 1 . 2 .]" 1
78 1 64 PHE HZ 1 70 PRO HA 4.650 . 4.850 4.397 4.072 4.654 . 0 0 "[ . 1 . 2 .]" 1
79 1 64 PHE HZ 1 70 PRO HB2 6.000 . 6.200 4.935 4.435 5.707 . 0 0 "[ . 1 . 2 .]" 1
80 1 64 PHE HZ 1 70 PRO HB3 6.000 . 6.200 3.958 3.480 4.220 . 0 0 "[ . 1 . 2 .]" 1
81 1 64 PHE HZ 1 73 PHE HB3 6.000 . 6.200 5.119 4.669 5.450 . 0 0 "[ . 1 . 2 .]" 1
82 1 64 PHE HZ 1 85 LEU MD2 6.000 . 6.200 5.185 4.890 5.504 . 0 0 "[ . 1 . 2 .]" 1
83 1 64 PHE QD 1 65 PRO HD2 3.930 . 4.130 3.464 3.245 3.623 . 0 0 "[ . 1 . 2 .]" 1
84 1 64 PHE QD 1 65 PRO HD3 5.120 . 5.320 4.188 3.981 4.389 . 0 0 "[ . 1 . 2 .]" 1
85 1 64 PHE QD 1 65 PRO QG 5.390 . 5.590 5.138 4.964 5.281 . 0 0 "[ . 1 . 2 .]" 1
86 1 64 PHE QD 1 68 ILE HB 4.430 . 4.630 4.044 3.724 4.300 . 0 0 "[ . 1 . 2 .]" 1
87 1 64 PHE QD 1 68 ILE HG13 5.840 . 6.040 4.786 4.442 5.175 . 0 0 "[ . 1 . 2 .]" 1
88 1 64 PHE QD 1 68 ILE MG 3.500 . 3.700 2.742 2.405 2.915 . 0 0 "[ . 1 . 2 .]" 1
89 1 64 PHE QD 1 70 PRO HA 4.500 . 4.700 4.019 3.725 4.210 . 0 0 "[ . 1 . 2 .]" 1
90 1 64 PHE QD 1 70 PRO HB3 4.000 . 4.200 3.746 3.487 4.215 0.015 19 0 "[ . 1 . 2 .]" 1
91 1 64 PHE QD 1 70 PRO HD3 5.330 . 5.530 4.367 3.879 4.573 . 0 0 "[ . 1 . 2 .]" 1
92 1 64 PHE QD 1 70 PRO HG2 6.000 . 6.200 5.727 4.012 6.047 . 0 0 "[ . 1 . 2 .]" 1
93 1 64 PHE QD 1 70 PRO HG3 4.560 . 4.760 4.364 2.583 4.680 . 0 0 "[ . 1 . 2 .]" 1
94 1 64 PHE QD 1 70 PRO QG 4.300 . 4.500 4.232 2.554 4.528 0.028 14 0 "[ . 1 . 2 .]" 1
95 1 64 PHE QD 1 88 TRP HE3 4.990 . 5.190 4.330 4.168 4.401 . 0 0 "[ . 1 . 2 .]" 1
96 1 64 PHE QD 1 88 TRP HZ3 4.450 . 4.650 2.298 2.251 2.463 . 0 0 "[ . 1 . 2 .]" 1
97 1 64 PHE QD 1 88 TRP QB 5.900 . 6.100 6.035 5.864 6.112 0.012 7 0 "[ . 1 . 2 .]" 1
98 1 64 PHE QE 1 68 ILE MG 5.470 . 5.670 4.251 3.864 4.489 . 0 0 "[ . 1 . 2 .]" 1
99 1 64 PHE QE 1 70 PRO HA 4.040 . 4.240 3.875 3.692 4.082 . 0 0 "[ . 1 . 2 .]" 1
100 1 64 PHE QE 1 70 PRO HB2 4.630 . 4.830 4.522 4.159 4.869 0.039 19 0 "[ . 1 . 2 .]" 1
101 1 64 PHE QE 1 70 PRO HB3 4.010 . 4.210 3.293 2.870 3.567 . 0 0 "[ . 1 . 2 .]" 1
102 1 64 PHE QE 1 70 PRO HG2 5.880 . 6.080 5.672 4.133 5.968 . 0 0 "[ . 1 . 2 .]" 1
103 1 64 PHE QE 1 70 PRO HG3 4.910 . 5.110 4.578 3.052 4.869 . 0 0 "[ . 1 . 2 .]" 1
104 1 64 PHE QE 1 70 PRO QG 4.400 . 4.600 4.393 2.976 4.656 0.056 3 0 "[ . 1 . 2 .]" 1
105 1 64 PHE QE 1 73 PHE HA 6.000 . 6.200 6.128 5.740 6.251 0.051 18 0 "[ . 1 . 2 .]" 1
106 1 64 PHE QE 1 73 PHE HB3 3.910 . 4.110 3.708 3.390 3.881 . 0 0 "[ . 1 . 2 .]" 1
107 1 64 PHE QE 1 73 PHE QD 3.500 . 3.700 2.412 2.273 2.625 . 0 0 "[ . 1 . 2 .]" 1
108 1 64 PHE QE 1 85 LEU MD2 3.730 . 3.930 3.839 3.580 3.970 0.040 16 0 "[ . 1 . 2 .]" 1
109 1 64 PHE QE 1 88 TRP HZ3 4.050 . 4.250 2.761 2.477 2.959 . 0 0 "[ . 1 . 2 .]" 1
110 1 65 PRO HA 1 66 SER H 2.950 . 3.150 2.331 2.299 2.358 . 0 0 "[ . 1 . 2 .]" 1
111 1 65 PRO HA 1 66 SER QB 4.390 . 4.590 4.297 4.154 4.591 0.001 13 0 "[ . 1 . 2 .]" 1
112 1 65 PRO HB2 1 66 SER H 4.060 . 4.260 3.457 3.379 3.566 . 0 0 "[ . 1 . 2 .]" 1
113 1 65 PRO HB2 1 67 ASP H 3.810 . 4.010 2.238 2.187 2.299 . 0 0 "[ . 1 . 2 .]" 1
114 1 65 PRO HB2 1 67 ASP QB 4.830 . 5.030 3.551 3.248 4.311 . 0 0 "[ . 1 . 2 .]" 1
115 1 65 PRO HB2 1 68 ILE HG12 4.370 . 4.570 2.279 2.263 2.310 . 0 0 "[ . 1 . 2 .]" 1
116 1 65 PRO HB2 1 88 TRP HE1 5.100 . 5.300 5.223 5.041 5.332 0.032 19 0 "[ . 1 . 2 .]" 1
117 1 65 PRO HB3 1 66 SER H 3.960 . 4.160 3.032 2.955 3.126 . 0 0 "[ . 1 . 2 .]" 1
118 1 65 PRO HB3 1 67 ASP H 4.820 . 5.020 3.192 3.131 3.255 . 0 0 "[ . 1 . 2 .]" 1
119 1 65 PRO HB3 1 68 ILE H 5.050 . 5.250 4.520 4.339 4.648 . 0 0 "[ . 1 . 2 .]" 1
120 1 65 PRO HB3 1 88 TRP HE1 5.420 . 5.620 5.112 4.774 5.258 . 0 0 "[ . 1 . 2 .]" 1
121 1 65 PRO HD2 1 68 ILE H 4.570 . 4.770 4.309 4.258 4.370 . 0 0 "[ . 1 . 2 .]" 1
122 1 65 PRO HD2 1 68 ILE HB 3.540 . 3.740 2.261 2.244 2.276 . 0 0 "[ . 1 . 2 .]" 1
123 1 65 PRO HD2 1 68 ILE HG12 4.350 . 4.550 3.341 3.074 3.604 . 0 0 "[ . 1 . 2 .]" 1
124 1 65 PRO HD2 1 68 ILE MG 3.820 . 4.020 2.910 2.841 2.965 . 0 0 "[ . 1 . 2 .]" 1
125 1 65 PRO HD2 1 88 TRP HE1 6.000 . 6.200 4.249 4.172 4.350 . 0 0 "[ . 1 . 2 .]" 1
126 1 65 PRO HD3 1 68 ILE HB 5.620 . 5.820 3.942 3.916 3.963 . 0 0 "[ . 1 . 2 .]" 1
127 1 65 PRO HD3 1 68 ILE HG12 5.000 . 5.200 4.713 4.489 4.939 . 0 0 "[ . 1 . 2 .]" 1
128 1 65 PRO HD3 1 68 ILE MG 4.690 . 4.890 4.316 4.254 4.363 . 0 0 "[ . 1 . 2 .]" 1
129 1 65 PRO HD3 1 88 TRP HE1 5.250 . 5.450 4.083 3.930 4.228 . 0 0 "[ . 1 . 2 .]" 1
130 1 65 PRO HD3 1 88 TRP HH2 5.930 . 6.130 4.364 4.149 4.586 . 0 0 "[ . 1 . 2 .]" 1
131 1 65 PRO HD3 1 88 TRP HZ2 6.000 . 6.200 3.986 3.761 4.261 . 0 0 "[ . 1 . 2 .]" 1
132 1 65 PRO QB 1 88 TRP HD1 6.000 . 6.200 5.396 5.120 5.626 . 0 0 "[ . 1 . 2 .]" 1
133 1 65 PRO QG 1 66 SER H 4.950 . 5.150 4.506 4.455 4.550 . 0 0 "[ . 1 . 2 .]" 1
134 1 65 PRO QG 1 67 ASP H 4.560 . 4.760 4.209 4.165 4.262 . 0 0 "[ . 1 . 2 .]" 1
135 1 65 PRO QG 1 68 ILE H 4.500 . 4.700 4.414 4.355 4.500 . 0 0 "[ . 1 . 2 .]" 1
136 1 65 PRO QG 1 68 ILE HA 4.840 . 5.040 5.086 5.052 5.121 0.081 16 0 "[ . 1 . 2 .]" 1
137 1 65 PRO QG 1 68 ILE HB 3.500 . 3.700 3.266 3.125 3.421 . 0 0 "[ . 1 . 2 .]" 1
138 1 65 PRO QG 1 68 ILE HG12 3.000 . 3.200 2.471 2.340 2.621 . 0 0 "[ . 1 . 2 .]" 1
139 1 65 PRO QG 1 69 ASP H 6.500 . 6.700 6.751 6.700 6.790 0.090 17 0 "[ . 1 . 2 .]" 1
140 1 65 PRO QG 1 88 TRP HD1 5.490 . 5.690 3.593 3.369 3.804 . 0 0 "[ . 1 . 2 .]" 1
141 1 65 PRO QG 1 88 TRP HE1 4.520 . 4.720 2.779 2.582 2.868 . 0 0 "[ . 1 . 2 .]" 1
142 1 65 PRO QG 1 88 TRP HH2 5.690 . 5.890 4.669 4.423 4.855 . 0 0 "[ . 1 . 2 .]" 1
143 1 66 SER H 1 66 SER HB2 3.720 . 3.920 2.695 2.063 3.609 . 0 0 "[ . 1 . 2 .]" 1
144 1 66 SER H 1 66 SER HB3 3.720 . 3.920 2.913 2.068 3.606 . 0 0 "[ . 1 . 2 .]" 1
145 1 66 SER H 1 67 ASP QB 4.660 . 4.860 4.481 4.268 4.881 0.021 21 0 "[ . 1 . 2 .]" 1
146 1 66 SER HA 1 66 SER QB 2.530 . 2.730 2.367 2.166 2.543 . 0 0 "[ . 1 . 2 .]" 1
147 1 66 SER HA 1 67 ASP H 3.420 . 3.620 3.334 3.323 3.345 . 0 0 "[ . 1 . 2 .]" 1
148 1 66 SER HB2 1 67 ASP H 4.580 . 4.780 4.041 3.497 4.573 . 0 0 "[ . 1 . 2 .]" 1
149 1 66 SER HB2 1 68 ILE H 6.000 . 6.200 5.670 5.373 5.935 . 0 0 "[ . 1 . 2 .]" 1
150 1 66 SER HB3 1 67 ASP H 4.580 . 4.780 3.952 3.565 4.331 . 0 0 "[ . 1 . 2 .]" 1
151 1 66 SER HB3 1 68 ILE H 6.000 . 6.200 5.576 5.311 5.895 . 0 0 "[ . 1 . 2 .]" 1
152 1 66 SER QB 1 68 ILE H 5.230 . 5.430 5.002 4.839 5.197 . 0 0 "[ . 1 . 2 .]" 1
153 1 67 ASP H 1 67 ASP HB2 3.820 . 4.020 2.869 2.462 3.858 . 0 0 "[ . 1 . 2 .]" 1
154 1 67 ASP H 1 67 ASP HB3 3.820 . 4.020 3.243 2.687 3.817 . 0 0 "[ . 1 . 2 .]" 1
155 1 67 ASP H 1 67 ASP QB 3.170 . 3.370 2.563 2.416 3.013 . 0 0 "[ . 1 . 2 .]" 1
156 1 67 ASP H 1 68 ILE H 3.280 . 3.480 2.232 2.177 2.272 . 0 0 "[ . 1 . 2 .]" 1
157 1 67 ASP H 1 68 ILE HB 4.200 . 4.400 4.005 3.942 4.049 . 0 0 "[ . 1 . 2 .]" 1
158 1 67 ASP H 1 68 ILE HG12 4.860 . 5.060 3.609 3.559 3.645 . 0 0 "[ . 1 . 2 .]" 1
159 1 67 ASP H 1 68 ILE MD 5.860 . 6.060 4.746 4.688 4.815 . 0 0 "[ . 1 . 2 .]" 1
160 1 67 ASP HA 1 67 ASP QB 2.460 . 2.660 2.420 2.169 2.542 . 0 0 "[ . 1 . 2 .]" 1
161 1 67 ASP HA 1 68 ILE H 3.470 . 3.670 3.200 3.164 3.218 . 0 0 "[ . 1 . 2 .]" 1
162 1 67 ASP HA 1 68 ILE MD 5.270 . 5.470 5.036 4.969 5.105 . 0 0 "[ . 1 . 2 .]" 1
163 1 67 ASP QB 1 68 ILE H 4.390 . 4.590 3.667 3.541 4.002 . 0 0 "[ . 1 . 2 .]" 1
164 1 68 ILE H 1 68 ILE HB 3.050 . 3.250 2.478 2.461 2.502 . 0 0 "[ . 1 . 2 .]" 1
165 1 68 ILE H 1 68 ILE HG12 3.480 . 3.680 3.089 3.046 3.124 . 0 0 "[ . 1 . 2 .]" 1
166 1 68 ILE H 1 68 ILE MG 3.990 . 4.190 3.760 3.753 3.771 . 0 0 "[ . 1 . 2 .]" 1
167 1 68 ILE H 1 69 ASP H 4.940 . 5.140 4.387 4.367 4.405 . 0 0 "[ . 1 . 2 .]" 1
168 1 68 ILE HA 1 68 ILE HG12 3.240 . 3.440 2.938 2.881 2.968 . 0 0 "[ . 1 . 2 .]" 1
169 1 68 ILE HA 1 68 ILE MD 3.120 . 3.320 2.029 2.022 2.057 . 0 0 "[ . 1 . 2 .]" 1
170 1 68 ILE HA 1 68 ILE MG 3.010 . 3.210 2.429 2.408 2.441 . 0 0 "[ . 1 . 2 .]" 1
171 1 68 ILE HA 1 69 ASP H 2.700 . 2.900 2.126 2.112 2.148 . 0 0 "[ . 1 . 2 .]" 1
172 1 68 ILE HA 1 69 ASP HB2 4.330 . 4.530 4.537 4.435 4.631 0.101 20 0 "[ . 1 . 2 .]" 1
173 1 68 ILE HA 1 69 ASP HB3 5.790 . 5.990 4.653 4.501 4.806 . 0 0 "[ . 1 . 2 .]" 1
174 1 68 ILE HB 1 68 ILE HG12 2.810 . 3.010 2.457 2.452 2.471 . 0 0 "[ . 1 . 2 .]" 1
175 1 68 ILE HB 1 68 ILE MD 3.350 . 3.550 3.216 3.213 3.223 . 0 0 "[ . 1 . 2 .]" 1
176 1 68 ILE HB 1 69 ASP H 4.290 . 4.490 4.267 4.242 4.286 . 0 0 "[ . 1 . 2 .]" 1
177 1 68 ILE HB 1 88 TRP HZ2 6.000 . 6.200 4.169 3.974 4.319 . 0 0 "[ . 1 . 2 .]" 1
178 1 68 ILE HG12 1 69 ASP H 4.820 . 5.020 4.956 4.885 4.989 . 0 0 "[ . 1 . 2 .]" 1
179 1 68 ILE HG13 1 69 ASP H 6.000 . 6.200 5.241 5.199 5.273 . 0 0 "[ . 1 . 2 .]" 1
180 1 68 ILE HG13 1 73 PHE QE 4.950 . 5.150 4.629 4.320 4.818 . 0 0 "[ . 1 . 2 .]" 1
181 1 68 ILE HG13 1 88 TRP HH2 5.870 . 6.070 3.758 3.564 3.975 . 0 0 "[ . 1 . 2 .]" 1
182 1 68 ILE HG13 1 88 TRP HZ2 4.170 . 4.370 2.288 2.261 2.350 . 0 0 "[ . 1 . 2 .]" 1
183 1 68 ILE MD 1 73 PHE HA 4.510 . 4.710 4.535 4.334 4.761 0.051 12 0 "[ . 1 . 2 .]" 1
184 1 68 ILE MD 1 73 PHE QD 3.580 . 3.780 3.311 3.134 3.481 . 0 0 "[ . 1 . 2 .]" 1
185 1 68 ILE MD 1 73 PHE QE 4.150 . 4.350 4.257 3.893 4.436 0.086 20 0 "[ . 1 . 2 .]" 1
186 1 68 ILE MD 1 88 TRP HH2 4.170 . 4.370 4.329 4.197 4.407 0.037 22 0 "[ . 1 . 2 .]" 1
187 1 68 ILE MD 1 88 TRP HZ2 3.100 . 3.300 3.216 3.016 3.326 0.026 2 0 "[ . 1 . 2 .]" 1
188 1 68 ILE HG13 1 68 ILE MG 3.360 . 3.560 2.254 2.228 2.282 . 0 0 "[ . 1 . 2 .]" 1
189 1 68 ILE MG 1 69 ASP H 3.480 . 3.680 2.498 2.406 2.563 . 0 0 "[ . 1 . 2 .]" 1
190 1 68 ILE MG 1 70 PRO HA 4.280 . 4.480 3.615 3.407 3.684 . 0 0 "[ . 1 . 2 .]" 1
191 1 68 ILE MG 1 73 PHE H 3.920 . 4.120 3.852 3.656 3.987 . 0 0 "[ . 1 . 2 .]" 1
192 1 68 ILE MG 1 73 PHE HA 3.900 . 4.100 3.753 3.672 3.864 . 0 0 "[ . 1 . 2 .]" 1
193 1 68 ILE MG 1 73 PHE HB2 3.400 . 3.600 2.271 2.098 2.469 . 0 0 "[ . 1 . 2 .]" 1
194 1 68 ILE MG 1 73 PHE QD 3.000 . 3.200 2.632 2.455 2.767 . 0 0 "[ . 1 . 2 .]" 1
195 1 68 ILE MG 1 73 PHE QE 3.900 . 4.100 3.775 3.572 3.981 . 0 0 "[ . 1 . 2 .]" 1
196 1 68 ILE MG 1 74 TYR H 5.740 . 5.940 5.160 4.963 5.350 . 0 0 "[ . 1 . 2 .]" 1
197 1 68 ILE MG 1 88 TRP HH2 2.920 . 3.120 2.361 2.254 2.443 . 0 0 "[ . 1 . 2 .]" 1
198 1 68 ILE MG 1 88 TRP HZ2 3.010 . 3.210 2.694 2.354 2.956 . 0 0 "[ . 1 . 2 .]" 1
199 1 68 ILE MG 1 88 TRP HZ3 4.520 . 4.720 4.207 4.104 4.330 . 0 0 "[ . 1 . 2 .]" 1
200 1 69 ASP H 1 69 ASP HB2 3.120 . 3.320 2.739 2.629 2.866 . 0 0 "[ . 1 . 2 .]" 1
201 1 69 ASP H 1 69 ASP HB3 3.030 . 3.230 2.547 2.423 2.688 . 0 0 "[ . 1 . 2 .]" 1
202 1 69 ASP H 1 70 PRO HD3 5.030 . 5.230 4.925 4.503 5.027 . 0 0 "[ . 1 . 2 .]" 1
203 1 69 ASP H 1 72 VAL H 5.280 . 5.480 4.596 4.350 4.725 . 0 0 "[ . 1 . 2 .]" 1
204 1 69 ASP H 1 72 VAL HB 4.100 . 4.300 3.366 3.169 3.527 . 0 0 "[ . 1 . 2 .]" 1
205 1 69 ASP H 1 72 VAL MG1 4.510 . 4.710 4.429 4.260 4.616 . 0 0 "[ . 1 . 2 .]" 1
206 1 69 ASP H 1 72 VAL MG2 4.810 . 5.010 4.046 3.851 4.296 . 0 0 "[ . 1 . 2 .]" 1
207 1 69 ASP H 1 73 PHE H 4.860 . 5.060 4.637 4.454 4.754 . 0 0 "[ . 1 . 2 .]" 1
208 1 69 ASP HA 1 69 ASP HB2 2.750 . 2.950 2.490 2.422 2.557 . 0 0 "[ . 1 . 2 .]" 1
209 1 69 ASP HA 1 70 PRO HD2 2.370 . 2.570 2.281 2.267 2.322 . 0 0 "[ . 1 . 2 .]" 1
210 1 69 ASP HA 1 70 PRO HD3 2.460 . 2.660 2.345 2.272 2.408 . 0 0 "[ . 1 . 2 .]" 1
211 1 69 ASP HA 1 70 PRO HG2 4.470 . 4.670 4.459 4.430 4.486 . 0 0 "[ . 1 . 2 .]" 1
212 1 69 ASP HA 1 70 PRO HG3 4.640 . 4.840 4.478 4.436 4.513 . 0 0 "[ . 1 . 2 .]" 1
213 1 69 ASP HB2 1 70 PRO HD2 4.050 . 4.250 3.903 3.709 4.296 0.046 17 0 "[ . 1 . 2 .]" 1
214 1 69 ASP HB2 1 70 PRO HD3 4.600 . 4.800 4.709 4.537 4.813 0.013 21 0 "[ . 1 . 2 .]" 1
215 1 69 ASP HB2 1 71 GLN H 4.890 . 5.090 4.901 4.775 5.007 . 0 0 "[ . 1 . 2 .]" 1
216 1 69 ASP HB2 1 72 VAL H 4.550 . 4.750 4.259 4.155 4.344 . 0 0 "[ . 1 . 2 .]" 1
217 1 69 ASP HB2 1 72 VAL MG2 3.110 . 3.310 3.133 2.959 3.309 . 0 0 "[ . 1 . 2 .]" 1
218 1 69 ASP HB2 1 73 PHE H 5.520 . 5.720 5.564 5.438 5.667 . 0 0 "[ . 1 . 2 .]" 1
219 1 69 ASP HB3 1 70 PRO HD2 4.390 . 4.590 4.085 3.930 4.600 0.010 17 0 "[ . 1 . 2 .]" 1
220 1 69 ASP HB3 1 70 PRO HD3 4.900 . 5.100 4.922 4.861 4.983 . 0 0 "[ . 1 . 2 .]" 1
221 1 69 ASP HB3 1 71 GLN H 4.160 . 4.360 4.025 3.803 4.240 . 0 0 "[ . 1 . 2 .]" 1
222 1 69 ASP HB3 1 71 GLN QB 4.760 . 4.960 4.494 4.254 4.726 . 0 0 "[ . 1 . 2 .]" 1
223 1 69 ASP HB3 1 72 VAL H 3.670 . 3.870 2.694 2.465 2.940 . 0 0 "[ . 1 . 2 .]" 1
224 1 69 ASP HB3 1 72 VAL HB 3.090 . 3.290 2.259 2.244 2.282 . 0 0 "[ . 1 . 2 .]" 1
225 1 69 ASP HB3 1 72 VAL MG2 2.660 . 2.860 2.160 2.026 2.380 . 0 0 "[ . 1 . 2 .]" 1
226 1 70 PRO HA 1 71 GLN H 3.540 . 3.740 3.565 3.554 3.577 . 0 0 "[ . 1 . 2 .]" 1
227 1 70 PRO HA 1 73 PHE H 3.790 . 3.990 3.437 3.360 3.511 . 0 0 "[ . 1 . 2 .]" 1
228 1 70 PRO HA 1 73 PHE HB2 3.390 . 3.590 3.265 3.062 3.475 . 0 0 "[ . 1 . 2 .]" 1
229 1 70 PRO HA 1 73 PHE HB3 3.080 . 3.280 2.696 2.444 2.888 . 0 0 "[ . 1 . 2 .]" 1
230 1 70 PRO HA 1 73 PHE QD 4.550 . 4.750 4.096 3.824 4.295 . 0 0 "[ . 1 . 2 .]" 1
231 1 70 PRO HA 1 74 TYR H 4.160 . 4.360 3.800 3.565 3.985 . 0 0 "[ . 1 . 2 .]" 1
232 1 70 PRO HA 1 74 TYR QD 4.840 . 5.040 3.928 3.621 4.518 . 0 0 "[ . 1 . 2 .]" 1
233 1 70 PRO HA 1 74 TYR QE 5.070 . 5.270 4.075 3.875 4.275 . 0 0 "[ . 1 . 2 .]" 1
234 1 70 PRO HB2 1 71 GLN H 3.440 . 3.640 3.125 2.590 3.232 . 0 0 "[ . 1 . 2 .]" 1
235 1 70 PRO HB2 1 74 TYR QD 4.130 . 4.330 3.538 3.239 4.212 . 0 0 "[ . 1 . 2 .]" 1
236 1 70 PRO HB2 1 74 TYR QE 3.800 . 4.000 3.446 2.375 4.045 0.045 23 0 "[ . 1 . 2 .]" 1
237 1 70 PRO HD2 1 71 GLN H 4.230 . 4.430 2.884 2.790 3.193 . 0 0 "[ . 1 . 2 .]" 1
238 1 70 PRO HD2 1 72 VAL H 5.740 . 5.940 4.429 4.314 4.852 . 0 0 "[ . 1 . 2 .]" 1
239 1 70 PRO HD3 1 71 GLN H 4.500 . 4.700 4.036 3.969 4.314 . 0 0 "[ . 1 . 2 .]" 1
240 1 70 PRO HG2 1 71 GLN H 3.830 . 4.030 2.692 2.364 4.088 0.058 19 0 "[ . 1 . 2 .]" 1
241 1 70 PRO HG2 1 74 TYR QE 6.000 . 6.200 5.576 4.472 5.979 . 0 0 "[ . 1 . 2 .]" 1
242 1 70 PRO HG3 1 71 GLN H 4.910 . 5.110 4.085 3.898 4.715 . 0 0 "[ . 1 . 2 .]" 1
243 1 71 GLN H 1 71 GLN HG2 4.400 . 4.600 3.886 2.210 4.676 0.076 8 0 "[ . 1 . 2 .]" 1
244 1 71 GLN H 1 71 GLN HG3 4.190 . 4.390 3.505 1.874 4.567 0.177 21 0 "[ . 1 . 2 .]" 1
245 1 71 GLN H 1 71 GLN QB 2.890 . 3.090 2.329 2.100 2.755 . 0 0 "[ . 1 . 2 .]" 1
246 1 71 GLN H 1 72 VAL H 3.030 . 3.230 2.509 2.452 2.581 . 0 0 "[ . 1 . 2 .]" 1
247 1 71 GLN H 1 72 VAL MG2 4.450 . 4.650 3.819 3.609 4.109 . 0 0 "[ . 1 . 2 .]" 1
248 1 71 GLN H 1 73 PHE H 3.830 . 4.030 3.824 3.738 3.884 . 0 0 "[ . 1 . 2 .]" 1
249 1 71 GLN HA 1 71 GLN HG2 4.160 . 4.360 2.759 2.263 3.718 . 0 0 "[ . 1 . 2 .]" 1
250 1 71 GLN HA 1 71 GLN HG3 4.160 . 4.360 2.877 2.278 3.728 . 0 0 "[ . 1 . 2 .]" 1
251 1 71 GLN HA 1 71 GLN QB 2.600 . 2.800 2.427 2.251 2.546 . 0 0 "[ . 1 . 2 .]" 1
252 1 71 GLN HA 1 71 GLN QG 3.500 . 3.700 2.368 2.187 3.136 . 0 0 "[ . 1 . 2 .]" 1
253 1 71 GLN HA 1 74 TYR H 4.220 . 4.420 3.888 3.768 4.009 . 0 0 "[ . 1 . 2 .]" 1
254 1 71 GLN HA 1 74 TYR HB2 3.580 . 3.780 3.422 3.297 3.572 . 0 0 "[ . 1 . 2 .]" 1
255 1 71 GLN HA 1 74 TYR QD 3.460 . 3.660 3.405 2.426 3.667 0.007 18 0 "[ . 1 . 2 .]" 1
256 1 71 GLN HA 1 74 TYR QE 5.800 . 6.000 5.426 3.961 5.783 . 0 0 "[ . 1 . 2 .]" 1
257 1 71 GLN HA 1 75 GLU H 4.950 . 5.150 4.573 4.416 4.743 . 0 0 "[ . 1 . 2 .]" 1
258 1 71 GLN QB 1 72 VAL H 3.590 . 3.790 2.832 2.701 2.934 . 0 0 "[ . 1 . 2 .]" 1
259 1 71 GLN QG 1 72 VAL H 4.870 . 5.070 4.184 3.464 4.644 . 0 0 "[ . 1 . 2 .]" 1
260 1 71 GLN QG 1 72 VAL MG2 4.780 . 4.980 4.448 3.049 4.967 . 0 0 "[ . 1 . 2 .]" 1
261 1 72 VAL H 1 72 VAL HB 2.970 . 3.170 2.601 2.527 2.659 . 0 0 "[ . 1 . 2 .]" 1
262 1 72 VAL H 1 72 VAL MG2 3.070 . 3.270 2.118 1.967 2.431 . 0 0 "[ . 1 . 2 .]" 1
263 1 72 VAL H 1 73 PHE H 3.040 . 3.240 2.340 2.311 2.364 . 0 0 "[ . 1 . 2 .]" 1
264 1 72 VAL H 1 74 TYR H 4.510 . 4.710 4.459 4.407 4.514 . 0 0 "[ . 1 . 2 .]" 1
265 1 72 VAL HA 1 72 VAL MG1 2.680 . 2.880 2.245 2.193 2.355 . 0 0 "[ . 1 . 2 .]" 1
266 1 72 VAL HA 1 72 VAL MG2 2.570 . 2.770 2.459 2.263 2.509 . 0 0 "[ . 1 . 2 .]" 1
267 1 72 VAL HA 1 75 GLU H 4.000 . 4.200 3.673 3.570 3.762 . 0 0 "[ . 1 . 2 .]" 1
268 1 72 VAL HA 1 75 GLU QB 2.840 . 3.040 2.559 2.393 2.777 . 0 0 "[ . 1 . 2 .]" 1
269 1 72 VAL HA 1 75 GLU QG 4.100 . 4.300 3.937 2.905 4.359 0.059 15 0 "[ . 1 . 2 .]" 1
270 1 72 VAL HB 1 73 PHE H 3.160 . 3.360 3.029 2.986 3.061 . 0 0 "[ . 1 . 2 .]" 1
271 1 72 VAL HB 1 74 TYR H 6.000 . 6.200 5.622 5.554 5.663 . 0 0 "[ . 1 . 2 .]" 1
272 1 72 VAL MG1 1 73 PHE H 3.940 . 4.140 3.914 3.805 3.963 . 0 0 "[ . 1 . 2 .]" 1
273 1 72 VAL MG1 1 73 PHE HA 3.780 . 3.980 3.925 3.713 4.035 0.055 12 0 "[ . 1 . 2 .]" 1
274 1 72 VAL MG1 1 74 TYR H 5.550 . 5.750 5.623 5.490 5.704 . 0 0 "[ . 1 . 2 .]" 1
275 1 72 VAL MG1 1 75 GLU H 4.740 . 4.940 4.605 4.445 4.731 . 0 0 "[ . 1 . 2 .]" 1
276 1 73 PHE H 1 73 PHE HB2 3.040 . 3.240 2.514 2.421 2.614 . 0 0 "[ . 1 . 2 .]" 1
277 1 73 PHE H 1 73 PHE HB3 3.010 . 3.210 2.556 2.467 2.655 . 0 0 "[ . 1 . 2 .]" 1
278 1 73 PHE H 1 73 PHE QD 4.380 . 4.580 4.171 4.138 4.197 . 0 0 "[ . 1 . 2 .]" 1
279 1 73 PHE H 1 74 TYR H 2.920 . 3.120 2.685 2.653 2.728 . 0 0 "[ . 1 . 2 .]" 1
280 1 73 PHE H 1 75 GLU H 4.690 . 4.890 3.638 3.580 3.692 . 0 0 "[ . 1 . 2 .]" 1
281 1 73 PHE HA 1 73 PHE HB2 2.870 . 3.070 2.523 2.474 2.566 . 0 0 "[ . 1 . 2 .]" 1
282 1 73 PHE HA 1 73 PHE QD 3.150 . 3.350 2.383 2.266 2.546 . 0 0 "[ . 1 . 2 .]" 1
283 1 73 PHE HA 1 73 PHE QE 4.630 . 4.830 4.369 4.281 4.479 . 0 0 "[ . 1 . 2 .]" 1
284 1 73 PHE HA 1 75 GLU H 4.400 . 4.600 3.786 3.688 3.844 . 0 0 "[ . 1 . 2 .]" 1
285 1 73 PHE HA 1 76 LEU H 4.620 . 4.820 3.761 3.601 3.904 . 0 0 "[ . 1 . 2 .]" 1
286 1 73 PHE HA 1 76 LEU HB2 3.680 . 3.880 3.749 3.404 3.891 0.011 14 0 "[ . 1 . 2 .]" 1
287 1 73 PHE HA 1 76 LEU HB3 5.300 . 5.500 4.994 4.803 5.182 . 0 0 "[ . 1 . 2 .]" 1
288 1 73 PHE HA 1 76 LEU HG 3.410 . 3.610 2.819 2.517 3.204 . 0 0 "[ . 1 . 2 .]" 1
289 1 73 PHE HA 1 76 LEU MD1 2.820 . 3.020 2.327 2.216 2.565 . 0 0 "[ . 1 . 2 .]" 1
290 1 73 PHE HB2 1 74 TYR H 3.740 . 3.940 3.609 3.549 3.678 . 0 0 "[ . 1 . 2 .]" 1
291 1 73 PHE HB2 1 76 LEU MD1 4.850 . 5.050 4.164 3.965 4.436 . 0 0 "[ . 1 . 2 .]" 1
292 1 73 PHE HB2 1 88 TRP HH2 6.000 . 6.200 3.634 3.431 3.858 . 0 0 "[ . 1 . 2 .]" 1
293 1 73 PHE HB3 1 74 TYR H 3.190 . 3.390 2.188 2.156 2.240 . 0 0 "[ . 1 . 2 .]" 1
294 1 73 PHE HB3 1 74 TYR QD 4.370 . 4.570 4.007 3.882 4.096 . 0 0 "[ . 1 . 2 .]" 1
295 1 73 PHE HZ 1 81 GLN HA 3.440 . 3.640 2.756 2.521 3.057 . 0 0 "[ . 1 . 2 .]" 1
296 1 73 PHE HZ 1 81 GLN HB3 5.100 . 5.300 5.129 4.854 5.339 0.039 17 0 "[ . 1 . 2 .]" 1
297 1 73 PHE HZ 1 81 GLN HG2 4.480 . 4.680 4.354 3.883 4.676 . 0 0 "[ . 1 . 2 .]" 1
298 1 73 PHE HZ 1 81 GLN HG3 3.220 . 3.420 2.672 2.285 2.936 . 0 0 "[ . 1 . 2 .]" 1
299 1 73 PHE HZ 1 84 LEU HB2 3.550 . 3.750 2.482 2.274 2.770 . 0 0 "[ . 1 . 2 .]" 1
300 1 73 PHE HZ 1 84 LEU MD1 3.780 . 3.980 3.545 3.393 3.755 . 0 0 "[ . 1 . 2 .]" 1
301 1 73 PHE HZ 1 85 LEU H 3.920 . 4.120 3.425 3.245 3.641 . 0 0 "[ . 1 . 2 .]" 1
302 1 73 PHE HZ 1 85 LEU HA 4.320 . 4.520 4.073 3.831 4.338 . 0 0 "[ . 1 . 2 .]" 1
303 1 73 PHE HZ 1 85 LEU HB2 4.490 . 4.690 4.563 4.481 4.649 . 0 0 "[ . 1 . 2 .]" 1
304 1 73 PHE HZ 1 85 LEU HB3 6.000 . 6.200 5.216 5.133 5.280 . 0 0 "[ . 1 . 2 .]" 1
305 1 73 PHE HZ 1 85 LEU HG 2.000 . 2.200 2.252 2.229 2.272 0.072 13 0 "[ . 1 . 2 .]" 1
306 1 73 PHE HZ 1 85 LEU MD1 3.300 . 3.500 3.438 3.239 3.562 0.062 16 0 "[ . 1 . 2 .]" 1
307 1 73 PHE HZ 1 85 LEU MD2 3.340 . 3.540 3.215 3.043 3.343 . 0 0 "[ . 1 . 2 .]" 1
308 1 73 PHE HZ 1 88 TRP HZ3 4.510 . 4.710 3.852 3.642 4.025 . 0 0 "[ . 1 . 2 .]" 1
309 1 73 PHE QD 1 74 TYR H 3.950 . 4.150 3.366 3.090 3.656 . 0 0 "[ . 1 . 2 .]" 1
310 1 73 PHE QD 1 74 TYR HA 5.090 . 5.290 3.670 3.354 3.939 . 0 0 "[ . 1 . 2 .]" 1
311 1 73 PHE QD 1 75 GLU H 5.980 . 6.180 5.168 5.035 5.268 . 0 0 "[ . 1 . 2 .]" 1
312 1 73 PHE QD 1 76 LEU H 5.450 . 5.650 5.074 5.015 5.142 . 0 0 "[ . 1 . 2 .]" 1
313 1 73 PHE QD 1 76 LEU HB2 4.710 . 4.910 4.438 4.256 4.574 . 0 0 "[ . 1 . 2 .]" 1
314 1 73 PHE QD 1 76 LEU HG 5.220 . 5.420 4.427 4.006 4.850 . 0 0 "[ . 1 . 2 .]" 1
315 1 73 PHE QD 1 76 LEU MD1 3.340 . 3.540 2.545 2.336 2.835 . 0 0 "[ . 1 . 2 .]" 1
316 1 73 PHE QD 1 76 LEU MD2 5.790 . 5.990 5.037 4.715 5.401 . 0 0 "[ . 1 . 2 .]" 1
317 1 73 PHE QD 1 81 GLN HA 5.040 . 5.240 4.766 4.595 4.890 . 0 0 "[ . 1 . 2 .]" 1
318 1 73 PHE QD 1 81 GLN HG3 4.130 . 4.330 4.207 4.064 4.347 0.017 18 0 "[ . 1 . 2 .]" 1
319 1 73 PHE QD 1 84 LEU HB2 5.190 . 5.390 4.802 4.674 4.927 . 0 0 "[ . 1 . 2 .]" 1
320 1 73 PHE QD 1 84 LEU HB3 6.000 . 6.200 4.743 4.461 4.938 . 0 0 "[ . 1 . 2 .]" 1
321 1 73 PHE QD 1 84 LEU MD1 3.370 . 3.570 3.239 3.021 3.453 . 0 0 "[ . 1 . 2 .]" 1
322 1 73 PHE QD 1 85 LEU HG 5.810 . 6.010 5.193 4.946 5.435 . 0 0 "[ . 1 . 2 .]" 1
323 1 73 PHE QD 1 85 LEU MD2 4.600 . 4.800 4.515 4.177 4.793 . 0 0 "[ . 1 . 2 .]" 1
324 1 73 PHE QD 1 88 TRP HH2 3.560 . 3.760 2.987 2.925 3.086 . 0 0 "[ . 1 . 2 .]" 1
325 1 73 PHE QE 1 76 LEU MD1 3.840 . 4.040 3.299 2.941 3.595 . 0 0 "[ . 1 . 2 .]" 1
326 1 73 PHE QE 1 81 GLN HA 3.640 . 3.840 3.384 3.157 3.586 . 0 0 "[ . 1 . 2 .]" 1
327 1 73 PHE QE 1 81 GLN HB3 5.210 . 5.410 5.020 4.924 5.126 . 0 0 "[ . 1 . 2 .]" 1
328 1 73 PHE QE 1 81 GLN HG2 4.140 . 4.340 3.584 3.471 3.721 . 0 0 "[ . 1 . 2 .]" 1
329 1 73 PHE QE 1 81 GLN HG3 3.530 . 3.730 2.366 2.259 2.523 . 0 0 "[ . 1 . 2 .]" 1
330 1 73 PHE QE 1 84 LEU HB2 2.970 . 3.170 2.499 2.338 2.653 . 0 0 "[ . 1 . 2 .]" 1
331 1 73 PHE QE 1 84 LEU HB3 2.820 . 3.020 2.531 2.311 2.742 . 0 0 "[ . 1 . 2 .]" 1
332 1 73 PHE QE 1 84 LEU HG 4.340 . 4.540 4.069 3.966 4.191 . 0 0 "[ . 1 . 2 .]" 1
333 1 73 PHE QE 1 84 LEU MD1 2.750 . 2.950 2.015 2.005 2.030 . 0 0 "[ . 1 . 2 .]" 1
334 1 73 PHE QE 1 84 LEU MD2 4.020 . 4.220 3.801 3.619 3.999 . 0 0 "[ . 1 . 2 .]" 1
335 1 73 PHE QE 1 85 LEU HB3 6.000 . 6.200 5.517 5.237 5.797 . 0 0 "[ . 1 . 2 .]" 1
336 1 73 PHE QE 1 85 LEU HG 3.790 . 3.990 3.022 2.671 3.375 . 0 0 "[ . 1 . 2 .]" 1
337 1 73 PHE QE 1 85 LEU MD1 3.120 . 3.320 2.760 2.568 3.095 . 0 0 "[ . 1 . 2 .]" 1
338 1 73 PHE QE 1 85 LEU MD2 3.010 . 3.210 2.893 2.479 3.250 0.040 19 0 "[ . 1 . 2 .]" 1
339 1 73 PHE QE 1 88 TRP HZ3 4.200 . 4.400 3.294 2.909 3.594 . 0 0 "[ . 1 . 2 .]" 1
340 1 74 TYR H 1 74 TYR HB2 3.280 . 3.480 2.430 2.384 2.697 . 0 0 "[ . 1 . 2 .]" 1
341 1 74 TYR H 1 74 TYR HB3 3.660 . 3.860 3.630 3.619 3.654 . 0 0 "[ . 1 . 2 .]" 1
342 1 74 TYR H 1 74 TYR QD 3.680 . 3.880 2.960 2.875 2.995 . 0 0 "[ . 1 . 2 .]" 1
343 1 74 TYR H 1 75 GLU H 3.370 . 3.570 2.714 2.671 2.751 . 0 0 "[ . 1 . 2 .]" 1
344 1 74 TYR H 1 75 GLU QB 4.530 . 4.730 4.448 4.348 4.643 . 0 0 "[ . 1 . 2 .]" 1
345 1 74 TYR HA 1 74 TYR HB3 2.760 . 2.960 2.565 2.440 2.586 . 0 0 "[ . 1 . 2 .]" 1
346 1 74 TYR HA 1 74 TYR QD 2.670 . 2.870 2.268 2.239 2.356 . 0 0 "[ . 1 . 2 .]" 1
347 1 74 TYR HA 1 74 TYR QE 4.380 . 4.580 4.293 4.253 4.484 . 0 0 "[ . 1 . 2 .]" 1
348 1 74 TYR HA 1 76 LEU H 4.700 . 4.900 3.410 3.315 3.543 . 0 0 "[ . 1 . 2 .]" 1
349 1 74 TYR HA 1 81 GLN HE22 3.940 . 4.140 1.807 1.766 1.930 0.034 12 0 "[ . 1 . 2 .]" 1
350 1 74 TYR HA 1 81 GLN HE21 3.580 . 3.780 3.213 2.845 3.530 . 0 0 "[ . 1 . 2 .]" 1
351 1 74 TYR HB2 1 75 GLU H 3.910 . 4.110 3.245 3.187 3.291 . 0 0 "[ . 1 . 2 .]" 1
352 1 74 TYR HB3 1 75 GLU H 4.420 . 4.620 3.987 3.936 4.175 . 0 0 "[ . 1 . 2 .]" 1
353 1 74 TYR HB3 1 76 LEU H 6.000 . 6.200 5.000 4.884 5.195 . 0 0 "[ . 1 . 2 .]" 1
354 1 74 TYR QD 1 81 GLN HE21 3.570 . 3.770 3.805 3.765 3.854 0.084 20 0 "[ . 1 . 2 .]" 1
355 1 75 GLU H 1 75 GLU HB2 3.630 . 3.830 2.213 2.109 2.457 . 0 0 "[ . 1 . 2 .]" 1
356 1 75 GLU H 1 75 GLU HB3 3.630 . 3.830 3.199 2.722 3.574 . 0 0 "[ . 1 . 2 .]" 1
357 1 75 GLU H 1 75 GLU HG2 4.510 . 4.710 4.093 2.715 4.704 . 0 0 "[ . 1 . 2 .]" 1
358 1 75 GLU H 1 75 GLU HG3 4.510 . 4.710 3.994 3.287 4.603 . 0 0 "[ . 1 . 2 .]" 1
359 1 75 GLU H 1 75 GLU QB 2.850 . 3.050 2.163 2.082 2.286 . 0 0 "[ . 1 . 2 .]" 1
360 1 75 GLU H 1 75 GLU QG 3.830 . 4.030 3.513 2.657 4.093 0.063 9 0 "[ . 1 . 2 .]" 1
361 1 75 GLU H 1 76 LEU HA 5.240 . 5.440 5.040 4.993 5.093 . 0 0 "[ . 1 . 2 .]" 1
362 1 75 GLU H 1 76 LEU HB2 4.630 . 4.830 4.682 4.519 4.821 . 0 0 "[ . 1 . 2 .]" 1
363 1 75 GLU H 1 81 GLN HE21 6.000 . 6.200 5.828 5.288 6.292 0.092 17 0 "[ . 1 . 2 .]" 1
364 1 75 GLU HA 1 75 GLU HG2 3.780 . 3.980 2.701 2.287 3.628 . 0 0 "[ . 1 . 2 .]" 1
365 1 75 GLU HA 1 75 GLU HG3 3.780 . 3.980 2.816 2.286 3.642 . 0 0 "[ . 1 . 2 .]" 1
366 1 75 GLU HA 1 75 GLU QB 2.530 . 2.730 2.510 2.452 2.548 . 0 0 "[ . 1 . 2 .]" 1
367 1 75 GLU HA 1 75 GLU QG 2.920 . 3.120 2.294 2.138 2.603 . 0 0 "[ . 1 . 2 .]" 1
368 1 75 GLU HA 1 76 LEU H 3.510 . 3.710 3.333 3.315 3.360 . 0 0 "[ . 1 . 2 .]" 1
369 1 75 GLU QB 1 75 GLU QG 2.290 . 2.490 2.069 2.031 2.108 . 0 0 "[ . 1 . 2 .]" 1
370 1 75 GLU QG 1 76 LEU H 5.100 . 5.300 4.585 4.355 4.841 . 0 0 "[ . 1 . 2 .]" 1
371 1 76 LEU H 1 76 LEU HB2 3.020 . 3.220 2.449 2.350 2.546 . 0 0 "[ . 1 . 2 .]" 1
372 1 76 LEU H 1 76 LEU HB3 3.690 . 3.890 3.649 3.617 3.668 . 0 0 "[ . 1 . 2 .]" 1
373 1 76 LEU H 1 76 LEU HG 2.900 . 3.100 2.455 2.262 2.663 . 0 0 "[ . 1 . 2 .]" 1
374 1 76 LEU H 1 76 LEU MD1 3.910 . 4.110 3.673 3.601 3.754 . 0 0 "[ . 1 . 2 .]" 1
375 1 76 LEU H 1 76 LEU MD2 3.780 . 3.980 3.574 3.312 3.794 . 0 0 "[ . 1 . 2 .]" 1
376 1 76 LEU H 1 77 PRO HD2 6.000 . 6.200 5.050 4.832 5.122 . 0 0 "[ . 1 . 2 .]" 1
377 1 76 LEU H 1 81 GLN HE21 5.780 . 5.980 4.338 3.747 5.041 . 0 0 "[ . 1 . 2 .]" 1
378 1 76 LEU HA 1 76 LEU HB3 2.820 . 3.020 2.496 2.444 2.557 . 0 0 "[ . 1 . 2 .]" 1
379 1 76 LEU HA 1 76 LEU HG 3.200 . 3.400 2.954 2.798 3.103 . 0 0 "[ . 1 . 2 .]" 1
380 1 76 LEU HA 1 76 LEU MD1 3.900 . 4.100 3.805 3.786 3.829 . 0 0 "[ . 1 . 2 .]" 1
381 1 76 LEU HA 1 76 LEU MD2 2.570 . 2.770 2.098 2.066 2.147 . 0 0 "[ . 1 . 2 .]" 1
382 1 76 LEU HA 1 77 PRO HD2 2.760 . 2.960 2.614 2.318 2.709 . 0 0 "[ . 1 . 2 .]" 1
383 1 76 LEU HA 1 77 PRO HD3 2.440 . 2.640 2.189 2.153 2.418 . 0 0 "[ . 1 . 2 .]" 1
384 1 76 LEU HA 1 77 PRO QG 4.150 . 4.350 4.003 3.993 4.023 . 0 0 "[ . 1 . 2 .]" 1
385 1 76 LEU HA 1 80 VAL QG 5.360 . 5.560 4.130 4.010 4.247 . 0 0 "[ . 1 . 2 .]" 1
386 1 76 LEU HB2 1 76 LEU HG 2.660 . 2.860 2.496 2.467 2.529 . 0 0 "[ . 1 . 2 .]" 1
387 1 76 LEU HB2 1 76 LEU MD1 2.610 . 2.810 2.299 2.227 2.425 . 0 0 "[ . 1 . 2 .]" 1
388 1 76 LEU HB2 1 76 LEU MD2 3.300 . 3.500 3.187 3.184 3.192 . 0 0 "[ . 1 . 2 .]" 1
389 1 76 LEU HB2 1 77 PRO HD2 3.700 . 3.900 3.829 3.754 3.907 0.007 25 0 "[ . 1 . 2 .]" 1
390 1 76 LEU HB2 1 81 GLN HE22 4.160 . 4.360 4.284 3.982 4.449 0.089 20 0 "[ . 1 . 2 .]" 1
391 1 76 LEU HB2 1 81 GLN HE21 5.150 . 5.350 3.874 3.155 4.911 . 0 0 "[ . 1 . 2 .]" 1
392 1 76 LEU HB3 1 76 LEU MD1 2.850 . 3.050 2.405 2.261 2.475 . 0 0 "[ . 1 . 2 .]" 1
393 1 76 LEU HB3 1 76 LEU MD2 2.480 . 2.680 2.226 2.199 2.266 . 0 0 "[ . 1 . 2 .]" 1
394 1 76 LEU HB3 1 77 PRO HA 5.250 . 5.450 5.040 4.966 5.110 . 0 0 "[ . 1 . 2 .]" 1
395 1 76 LEU HB3 1 77 PRO HD2 2.650 . 2.850 2.289 2.236 2.342 . 0 0 "[ . 1 . 2 .]" 1
396 1 76 LEU HB3 1 77 PRO HD3 3.480 . 3.680 3.461 3.390 3.713 0.033 13 0 "[ . 1 . 2 .]" 1
397 1 76 LEU HB3 1 81 GLN HA 4.810 . 5.010 4.878 4.666 5.020 0.010 2 0 "[ . 1 . 2 .]" 1
398 1 76 LEU MD1 1 77 PRO HD2 3.990 . 4.190 4.094 3.991 4.169 . 0 0 "[ . 1 . 2 .]" 1
399 1 76 LEU MD1 1 77 PRO HD3 5.020 . 5.220 5.016 4.910 5.247 0.027 13 0 "[ . 1 . 2 .]" 1
400 1 76 LEU MD1 1 81 GLN HA 4.200 . 4.400 4.276 4.029 4.426 0.026 10 0 "[ . 1 . 2 .]" 1
401 1 76 LEU MD2 1 77 PRO HD2 3.120 . 3.320 2.606 2.243 2.910 . 0 0 "[ . 1 . 2 .]" 1
402 1 76 LEU MD2 1 77 PRO HD3 3.040 . 3.240 3.035 2.762 3.196 . 0 0 "[ . 1 . 2 .]" 1
403 1 77 PRO HA 1 78 GLU H 2.950 . 3.150 2.365 2.351 2.380 . 0 0 "[ . 1 . 2 .]" 1
404 1 77 PRO HA 1 78 GLU HA 4.330 . 4.530 4.398 4.380 4.409 . 0 0 "[ . 1 . 2 .]" 1
405 1 77 PRO HA 1 79 ALA H 5.180 . 5.380 4.560 4.492 4.622 . 0 0 "[ . 1 . 2 .]" 1
406 1 77 PRO HA 1 80 VAL H 5.060 . 5.260 4.654 4.613 4.751 . 0 0 "[ . 1 . 2 .]" 1
407 1 77 PRO HA 1 80 VAL QG 5.510 . 5.710 4.560 4.365 4.823 . 0 0 "[ . 1 . 2 .]" 1
408 1 77 PRO HA 1 81 GLN H 5.920 . 6.120 5.145 5.061 5.255 . 0 0 "[ . 1 . 2 .]" 1
409 1 77 PRO HB2 1 78 GLU H 4.260 . 4.460 3.275 2.963 3.332 . 0 0 "[ . 1 . 2 .]" 1
410 1 77 PRO HB2 1 79 ALA H 3.860 . 4.060 3.220 2.980 3.350 . 0 0 "[ . 1 . 2 .]" 1
411 1 77 PRO HB2 1 80 VAL H 3.190 . 3.390 2.487 2.368 2.910 . 0 0 "[ . 1 . 2 .]" 1
412 1 77 PRO HB2 1 80 VAL QG 3.470 . 3.670 2.488 2.214 3.409 . 0 0 "[ . 1 . 2 .]" 1
413 1 77 PRO HB3 1 78 GLU H 4.250 . 4.450 3.114 3.061 3.457 . 0 0 "[ . 1 . 2 .]" 1
414 1 77 PRO HB3 1 79 ALA H 4.800 . 5.000 3.966 3.808 4.481 . 0 0 "[ . 1 . 2 .]" 1
415 1 77 PRO HB3 1 79 ALA MB 4.850 . 5.050 4.216 4.107 4.578 . 0 0 "[ . 1 . 2 .]" 1
416 1 77 PRO HB3 1 80 VAL H 4.750 . 4.950 4.162 4.023 4.583 . 0 0 "[ . 1 . 2 .]" 1
417 1 77 PRO HB3 1 80 VAL QG 4.180 . 4.380 3.814 3.600 4.317 . 0 0 "[ . 1 . 2 .]" 1
418 1 77 PRO HD2 1 80 VAL H 4.830 . 5.030 4.415 4.302 4.542 . 0 0 "[ . 1 . 2 .]" 1
419 1 77 PRO HD2 1 80 VAL HB 3.440 . 3.640 2.731 2.587 3.003 . 0 0 "[ . 1 . 2 .]" 1
420 1 77 PRO HD2 1 80 VAL MG1 4.190 . 4.390 3.267 3.083 3.573 . 0 0 "[ . 1 . 2 .]" 1
421 1 77 PRO HD2 1 80 VAL MG2 4.190 . 4.390 2.555 2.317 2.850 . 0 0 "[ . 1 . 2 .]" 1
422 1 77 PRO HD2 1 80 VAL QG 3.680 . 3.880 2.463 2.275 2.660 . 0 0 "[ . 1 . 2 .]" 1
423 1 77 PRO HD2 1 81 GLN H 4.900 . 5.100 5.023 4.873 5.120 0.020 5 0 "[ . 1 . 2 .]" 1
424 1 77 PRO HD3 1 80 VAL HB 4.550 . 4.750 4.363 4.221 4.677 . 0 0 "[ . 1 . 2 .]" 1
425 1 77 PRO HD3 1 80 VAL QG 3.870 . 4.070 3.724 3.602 3.833 . 0 0 "[ . 1 . 2 .]" 1
426 1 77 PRO QG 1 79 ALA H 5.000 . 5.200 5.011 4.478 5.137 . 0 0 "[ . 1 . 2 .]" 1
427 1 77 PRO QG 1 80 VAL H 4.170 . 4.370 3.905 2.991 4.135 . 0 0 "[ . 1 . 2 .]" 1
428 1 77 PRO QG 1 80 VAL QG 2.610 . 2.810 2.198 1.992 2.443 . 0 0 "[ . 1 . 2 .]" 1
429 1 78 GLU H 1 78 GLU HB2 3.670 . 3.870 2.703 2.092 3.613 . 0 0 "[ . 1 . 2 .]" 1
430 1 78 GLU H 1 78 GLU HB3 3.670 . 3.870 3.386 2.510 3.613 . 0 0 "[ . 1 . 2 .]" 1
431 1 78 GLU H 1 78 GLU QG 4.480 . 4.680 2.371 1.721 4.003 0.079 9 0 "[ . 1 . 2 .]" 1
432 1 78 GLU HA 1 78 GLU HG2 3.780 . 3.980 3.062 2.317 3.658 . 0 0 "[ . 1 . 2 .]" 1
433 1 78 GLU HA 1 78 GLU HG3 3.780 . 3.980 3.139 2.264 3.926 . 0 0 "[ . 1 . 2 .]" 1
434 1 78 GLU HA 1 78 GLU QG 3.020 . 3.220 2.636 2.148 3.303 0.083 7 0 "[ . 1 . 2 .]" 1
435 1 78 GLU HA 1 81 GLN H 3.620 . 3.820 3.059 2.995 3.141 . 0 0 "[ . 1 . 2 .]" 1
436 1 78 GLU HA 1 81 GLN HB2 3.230 . 3.430 2.682 2.501 2.821 . 0 0 "[ . 1 . 2 .]" 1
437 1 78 GLU HA 1 81 GLN HB3 2.760 . 2.960 2.404 2.296 2.508 . 0 0 "[ . 1 . 2 .]" 1
438 1 78 GLU HA 1 81 GLN HE22 4.720 . 4.920 4.840 4.661 4.949 0.029 10 0 "[ . 1 . 2 .]" 1
439 1 78 GLU HA 1 81 GLN HE21 5.230 . 5.430 3.747 3.011 4.379 . 0 0 "[ . 1 . 2 .]" 1
440 1 78 GLU HA 1 81 GLN HG2 4.380 . 4.580 4.234 4.096 4.418 . 0 0 "[ . 1 . 2 .]" 1
441 1 78 GLU HA 1 81 GLN HG3 5.200 . 5.400 5.036 4.970 5.123 . 0 0 "[ . 1 . 2 .]" 1
442 1 78 GLU HA 1 82 LYS H 4.600 . 4.800 3.764 3.586 3.910 . 0 0 "[ . 1 . 2 .]" 1
443 1 78 GLU HA 1 82 LYS QD 3.740 . 3.940 3.350 3.077 3.525 . 0 0 "[ . 1 . 2 .]" 1
444 1 78 GLU QB 1 78 GLU QG 2.300 . 2.500 2.066 1.970 2.109 . 0 0 "[ . 1 . 2 .]" 1
445 1 78 GLU QB 1 79 ALA H 3.340 . 3.540 2.539 2.301 3.317 . 0 0 "[ . 1 . 2 .]" 1
446 1 78 GLU QB 1 82 LYS QE 5.060 . 5.260 3.162 2.395 4.223 . 0 0 "[ . 1 . 2 .]" 1
447 1 79 ALA H 1 79 ALA MB 2.950 . 3.150 2.160 2.056 2.268 . 0 0 "[ . 1 . 2 .]" 1
448 1 79 ALA H 1 80 VAL H 3.450 . 3.650 2.803 2.769 2.833 . 0 0 "[ . 1 . 2 .]" 1
449 1 79 ALA H 1 80 VAL QG 4.880 . 5.080 4.251 3.896 4.505 . 0 0 "[ . 1 . 2 .]" 1
450 1 79 ALA H 1 81 GLN H 5.260 . 5.460 4.093 4.044 4.141 . 0 0 "[ . 1 . 2 .]" 1
451 1 79 ALA HA 1 81 GLN H 4.850 . 5.050 4.399 4.357 4.434 . 0 0 "[ . 1 . 2 .]" 1
452 1 79 ALA HA 1 82 LYS H 4.150 . 4.350 3.678 3.613 3.771 . 0 0 "[ . 1 . 2 .]" 1
453 1 79 ALA HA 1 82 LYS HG2 4.760 . 4.960 4.569 4.386 4.732 . 0 0 "[ . 1 . 2 .]" 1
454 1 79 ALA HA 1 82 LYS QB 3.530 . 3.730 2.902 2.782 2.998 . 0 0 "[ . 1 . 2 .]" 1
455 1 79 ALA HA 1 82 LYS QD 3.370 . 3.570 3.522 3.193 3.626 0.056 20 0 "[ . 1 . 2 .]" 1
456 1 79 ALA MB 1 80 VAL H 3.400 . 3.600 2.710 2.635 2.798 . 0 0 "[ . 1 . 2 .]" 1
457 1 79 ALA MB 1 80 VAL HA 4.070 . 4.270 3.860 3.794 3.928 . 0 0 "[ . 1 . 2 .]" 1
458 1 79 ALA MB 1 81 GLN H 4.660 . 4.860 4.479 4.441 4.510 . 0 0 "[ . 1 . 2 .]" 1
459 1 80 VAL H 1 80 VAL HB 2.830 . 3.030 2.453 2.333 2.697 . 0 0 "[ . 1 . 2 .]" 1
460 1 80 VAL H 1 80 VAL QG 2.900 . 3.100 2.297 1.886 2.585 . 0 0 "[ . 1 . 2 .]" 1
461 1 80 VAL H 1 81 GLN H 2.970 . 3.170 2.373 2.349 2.400 . 0 0 "[ . 1 . 2 .]" 1
462 1 80 VAL H 1 81 GLN HA 5.130 . 5.330 5.091 5.074 5.111 . 0 0 "[ . 1 . 2 .]" 1
463 1 80 VAL H 1 82 LYS H 4.630 . 4.830 4.142 4.038 4.219 . 0 0 "[ . 1 . 2 .]" 1
464 1 80 VAL H 1 83 GLU QG 5.140 . 5.340 5.103 4.794 5.342 0.002 2 0 "[ . 1 . 2 .]" 1
465 1 80 VAL HA 1 80 VAL MG1 2.910 . 3.110 2.331 2.221 2.416 . 0 0 "[ . 1 . 2 .]" 1
466 1 80 VAL HA 1 80 VAL MG2 2.910 . 3.110 2.329 2.207 2.504 . 0 0 "[ . 1 . 2 .]" 1
467 1 80 VAL HA 1 80 VAL QG 2.470 . 2.670 2.071 2.018 2.141 . 0 0 "[ . 1 . 2 .]" 1
468 1 80 VAL HA 1 82 LYS H 4.850 . 5.050 4.556 4.413 4.745 . 0 0 "[ . 1 . 2 .]" 1
469 1 80 VAL HA 1 83 GLU H 3.580 . 3.780 3.582 3.430 3.737 . 0 0 "[ . 1 . 2 .]" 1
470 1 80 VAL HA 1 83 GLU HB2 3.260 . 3.460 2.759 2.631 2.909 . 0 0 "[ . 1 . 2 .]" 1
471 1 80 VAL HA 1 83 GLU HG2 4.910 . 5.110 4.844 4.238 5.191 0.081 8 0 "[ . 1 . 2 .]" 1
472 1 80 VAL HA 1 83 GLU HG3 4.010 . 4.210 3.721 3.306 4.054 . 0 0 "[ . 1 . 2 .]" 1
473 1 80 VAL HA 1 83 GLU QG 3.700 . 3.900 3.598 3.243 3.881 . 0 0 "[ . 1 . 2 .]" 1
474 1 80 VAL MG1 1 81 GLN H 4.480 . 4.680 3.537 3.330 3.828 . 0 0 "[ . 1 . 2 .]" 1
475 1 80 VAL MG2 1 81 GLN H 4.480 . 4.680 3.853 3.551 3.982 . 0 0 "[ . 1 . 2 .]" 1
476 1 80 VAL QG 1 81 GLN H 3.910 . 4.110 3.260 3.170 3.328 . 0 0 "[ . 1 . 2 .]" 1
477 1 80 VAL QG 1 82 LYS H 4.850 . 5.050 4.738 4.625 4.856 . 0 0 "[ . 1 . 2 .]" 1
478 1 80 VAL QG 1 83 GLU H 4.610 . 4.810 4.458 4.341 4.566 . 0 0 "[ . 1 . 2 .]" 1
479 1 80 VAL QG 1 83 GLU HB2 3.900 . 4.100 3.615 3.491 3.714 . 0 0 "[ . 1 . 2 .]" 1
480 1 80 VAL QG 1 83 GLU HB3 4.770 . 4.970 4.705 4.493 4.865 . 0 0 "[ . 1 . 2 .]" 1
481 1 80 VAL QG 1 83 GLU QG 4.300 . 4.500 4.311 4.079 4.564 0.064 13 0 "[ . 1 . 2 .]" 1
482 1 80 VAL QG 1 84 LEU H 4.530 . 4.730 3.772 3.558 3.953 . 0 0 "[ . 1 . 2 .]" 1
483 1 81 GLN H 1 81 GLN HB2 2.780 . 2.980 2.420 2.320 2.498 . 0 0 "[ . 1 . 2 .]" 1
484 1 81 GLN H 1 81 GLN HB3 3.010 . 3.210 2.658 2.578 2.763 . 0 0 "[ . 1 . 2 .]" 1
485 1 81 GLN H 1 81 GLN HE22 5.500 . 5.700 5.504 5.344 5.619 . 0 0 "[ . 1 . 2 .]" 1
486 1 81 GLN H 1 82 LYS HA 5.350 . 5.550 5.373 5.341 5.396 . 0 0 "[ . 1 . 2 .]" 1
487 1 81 GLN H 1 82 LYS QD 3.940 . 4.140 3.996 3.798 4.159 0.019 16 0 "[ . 1 . 2 .]" 1
488 1 81 GLN H 1 83 GLU H 4.460 . 4.660 4.298 4.186 4.354 . 0 0 "[ . 1 . 2 .]" 1
489 1 81 GLN H 1 84 LEU MD1 4.780 . 4.980 4.600 4.473 4.769 . 0 0 "[ . 1 . 2 .]" 1
490 1 81 GLN HA 1 81 GLN HB2 2.820 . 3.020 2.538 2.495 2.591 . 0 0 "[ . 1 . 2 .]" 1
491 1 81 GLN HA 1 81 GLN HE22 4.660 . 4.860 4.762 4.575 4.904 0.044 12 0 "[ . 1 . 2 .]" 1
492 1 81 GLN HA 1 81 GLN HE21 6.000 . 6.200 3.659 2.990 4.624 . 0 0 "[ . 1 . 2 .]" 1
493 1 81 GLN HA 1 81 GLN HG2 3.560 . 3.760 3.510 3.392 3.576 . 0 0 "[ . 1 . 2 .]" 1
494 1 81 GLN HA 1 81 GLN HG3 2.820 . 3.020 2.272 2.254 2.304 . 0 0 "[ . 1 . 2 .]" 1
495 1 81 GLN HA 1 83 GLU H 5.100 . 5.300 4.818 4.732 4.857 . 0 0 "[ . 1 . 2 .]" 1
496 1 81 GLN HA 1 84 LEU H 4.110 . 4.310 3.755 3.619 3.814 . 0 0 "[ . 1 . 2 .]" 1
497 1 81 GLN HA 1 84 LEU HB2 3.230 . 3.430 2.992 2.836 3.085 . 0 0 "[ . 1 . 2 .]" 1
498 1 81 GLN HA 1 84 LEU HB3 4.720 . 4.920 4.642 4.463 4.730 . 0 0 "[ . 1 . 2 .]" 1
499 1 81 GLN HA 1 85 LEU H 4.770 . 4.970 4.002 3.881 4.151 . 0 0 "[ . 1 . 2 .]" 1
500 1 81 GLN HB2 1 81 GLN HE22 3.450 . 3.650 3.195 3.153 3.422 . 0 0 "[ . 1 . 2 .]" 1
501 1 81 GLN HB2 1 81 GLN HE21 3.710 . 3.910 1.970 1.851 2.664 . 0 0 "[ . 1 . 2 .]" 1
502 1 81 GLN HB2 1 81 GLN HG3 2.800 . 3.000 2.823 2.714 2.925 . 0 0 "[ . 1 . 2 .]" 1
503 1 81 GLN HB3 1 81 GLN HE22 4.200 . 4.400 4.444 4.330 4.574 0.174 12 0 "[ . 1 . 2 .]" 1
504 1 81 GLN HB3 1 81 GLN HG2 2.410 . 2.610 2.260 2.247 2.286 . 0 0 "[ . 1 . 2 .]" 1
505 1 81 GLN HB3 1 81 GLN HG3 3.000 . 3.200 2.884 2.783 2.966 . 0 0 "[ . 1 . 2 .]" 1
506 1 81 GLN HB3 1 82 LYS H 2.970 . 3.170 2.365 2.263 2.419 . 0 0 "[ . 1 . 2 .]" 1
507 1 81 GLN HB3 1 82 LYS HA 4.690 . 4.890 4.129 4.031 4.204 . 0 0 "[ . 1 . 2 .]" 1
508 1 81 GLN HE22 1 85 LEU MD1 4.930 . 5.130 5.100 4.776 5.240 0.110 17 0 "[ . 1 . 2 .]" 1
509 1 81 GLN HG2 1 85 LEU MD1 2.580 . 2.780 2.222 2.089 2.434 . 0 0 "[ . 1 . 2 .]" 1
510 1 81 GLN HG3 1 85 LEU HG 3.050 . 3.250 2.914 2.719 3.152 . 0 0 "[ . 1 . 2 .]" 1
511 1 82 LYS H 1 82 LYS HG3 4.070 . 4.270 3.850 3.586 3.960 . 0 0 "[ . 1 . 2 .]" 1
512 1 82 LYS H 1 82 LYS QB 2.710 . 2.910 2.183 2.137 2.265 . 0 0 "[ . 1 . 2 .]" 1
513 1 82 LYS H 1 82 LYS QD 3.070 . 3.270 2.119 1.915 2.247 . 0 0 "[ . 1 . 2 .]" 1
514 1 82 LYS H 1 82 LYS QE 5.690 . 5.890 4.152 3.868 4.296 . 0 0 "[ . 1 . 2 .]" 1
515 1 82 LYS H 1 83 GLU H 3.100 . 3.300 2.815 2.773 2.848 . 0 0 "[ . 1 . 2 .]" 1
516 1 82 LYS H 1 83 GLU QG 5.610 . 5.810 4.572 4.380 4.893 . 0 0 "[ . 1 . 2 .]" 1
517 1 82 LYS H 1 84 LEU H 3.940 . 4.140 4.188 4.143 4.227 0.087 5 0 "[ . 1 . 2 .]" 1
518 1 82 LYS H 1 84 LEU MD1 5.640 . 5.840 5.721 5.549 5.813 . 0 0 "[ . 1 . 2 .]" 1
519 1 82 LYS H 1 85 LEU MD1 5.100 . 5.300 3.916 3.692 4.078 . 0 0 "[ . 1 . 2 .]" 1
520 1 82 LYS HA 1 82 LYS HG2 3.800 . 4.000 3.545 3.531 3.557 . 0 0 "[ . 1 . 2 .]" 1
521 1 82 LYS HA 1 82 LYS HG3 2.860 . 3.060 2.271 2.245 2.296 . 0 0 "[ . 1 . 2 .]" 1
522 1 82 LYS HA 1 82 LYS QB 2.550 . 2.750 2.489 2.461 2.510 . 0 0 "[ . 1 . 2 .]" 1
523 1 82 LYS HA 1 82 LYS QD 2.930 . 3.130 2.500 2.352 2.813 . 0 0 "[ . 1 . 2 .]" 1
524 1 82 LYS HA 1 82 LYS QE 4.450 . 4.650 4.047 3.576 4.503 . 0 0 "[ . 1 . 2 .]" 1
525 1 82 LYS HA 1 84 LEU H 4.750 . 4.950 4.455 4.354 4.573 . 0 0 "[ . 1 . 2 .]" 1
526 1 82 LYS HA 1 84 LEU HG 6.500 . 6.700 6.687 6.594 6.747 0.047 5 0 "[ . 1 . 2 .]" 1
527 1 82 LYS HA 1 85 LEU H 3.610 . 3.810 3.409 3.329 3.493 . 0 0 "[ . 1 . 2 .]" 1
528 1 82 LYS HA 1 85 LEU HB2 2.780 . 2.980 2.454 2.327 2.553 . 0 0 "[ . 1 . 2 .]" 1
529 1 82 LYS HA 1 85 LEU MD1 2.970 . 3.170 2.612 2.419 2.827 . 0 0 "[ . 1 . 2 .]" 1
530 1 82 LYS HA 1 86 ALA H 4.000 . 4.200 3.835 3.669 4.044 . 0 0 "[ . 1 . 2 .]" 1
531 1 82 LYS QE 1 82 LYS HG2 3.550 . 3.750 2.458 2.222 3.098 . 0 0 "[ . 1 . 2 .]" 1
532 1 82 LYS QE 1 82 LYS HG3 2.910 . 3.110 2.563 2.240 3.114 0.004 18 0 "[ . 1 . 2 .]" 1
533 1 82 LYS QB 1 82 LYS HG2 2.310 . 2.510 2.196 2.192 2.200 . 0 0 "[ . 1 . 2 .]" 1
534 1 82 LYS QB 1 82 LYS QD 2.550 . 2.750 2.272 2.207 2.338 . 0 0 "[ . 1 . 2 .]" 1
535 1 82 LYS QB 1 83 GLU H 3.100 . 3.300 2.495 2.452 2.527 . 0 0 "[ . 1 . 2 .]" 1
536 1 82 LYS QB 1 83 GLU HA 3.870 . 4.070 3.779 3.744 3.825 . 0 0 "[ . 1 . 2 .]" 1
537 1 82 LYS QD 1 83 GLU H 4.350 . 4.550 4.167 4.012 4.266 . 0 0 "[ . 1 . 2 .]" 1
538 1 82 LYS QD 1 85 LEU MD1 3.330 . 3.530 3.036 2.801 3.443 . 0 0 "[ . 1 . 2 .]" 1
539 1 83 GLU H 1 83 GLU HB2 3.000 . 3.200 2.468 2.348 2.561 . 0 0 "[ . 1 . 2 .]" 1
540 1 83 GLU H 1 83 GLU HG2 3.760 . 3.960 2.928 2.164 3.629 . 0 0 "[ . 1 . 2 .]" 1
541 1 83 GLU H 1 83 GLU HG3 3.760 . 3.960 2.702 2.039 3.427 . 0 0 "[ . 1 . 2 .]" 1
542 1 83 GLU H 1 84 LEU H 3.150 . 3.350 2.787 2.764 2.822 . 0 0 "[ . 1 . 2 .]" 1
543 1 83 GLU H 1 84 LEU MD2 5.510 . 5.710 5.561 5.460 5.657 . 0 0 "[ . 1 . 2 .]" 1
544 1 83 GLU H 1 85 LEU H 4.540 . 4.740 4.128 4.033 4.202 . 0 0 "[ . 1 . 2 .]" 1
545 1 83 GLU H 1 86 ALA MB 4.630 . 4.830 4.577 4.446 4.705 . 0 0 "[ . 1 . 2 .]" 1
546 1 83 GLU HA 1 83 GLU HB3 2.470 . 2.670 2.527 2.485 2.595 . 0 0 "[ . 1 . 2 .]" 1
547 1 83 GLU HA 1 83 GLU HG2 3.890 . 4.090 2.459 2.280 2.744 . 0 0 "[ . 1 . 2 .]" 1
548 1 83 GLU HA 1 83 GLU HG3 3.890 . 4.090 3.314 2.723 3.730 . 0 0 "[ . 1 . 2 .]" 1
549 1 83 GLU HA 1 83 GLU QG 3.230 . 3.430 2.375 2.234 2.676 . 0 0 "[ . 1 . 2 .]" 1
550 1 83 GLU HA 1 85 LEU H 4.680 . 4.880 4.442 4.349 4.557 . 0 0 "[ . 1 . 2 .]" 1
551 1 83 GLU HA 1 86 ALA MB 3.040 . 3.240 2.630 2.432 2.768 . 0 0 "[ . 1 . 2 .]" 1
552 1 83 GLU HB2 1 83 GLU QG 2.630 . 2.830 2.270 2.169 2.468 . 0 0 "[ . 1 . 2 .]" 1
553 1 83 GLU HB2 1 84 LEU H 3.320 . 3.520 2.681 2.603 2.819 . 0 0 "[ . 1 . 2 .]" 1
554 1 83 GLU HB2 1 84 LEU MD2 4.200 . 4.400 4.098 3.956 4.367 . 0 0 "[ . 1 . 2 .]" 1
555 1 83 GLU HB3 1 84 LEU MD2 4.010 . 4.210 4.092 3.889 4.240 0.030 10 0 "[ . 1 . 2 .]" 1
556 1 84 LEU H 1 84 LEU HB2 3.080 . 3.280 2.436 2.389 2.471 . 0 0 "[ . 1 . 2 .]" 1
557 1 84 LEU H 1 84 LEU HB3 3.710 . 3.910 3.630 3.617 3.637 . 0 0 "[ . 1 . 2 .]" 1
558 1 84 LEU H 1 84 LEU HG 3.230 . 3.430 2.341 2.233 2.431 . 0 0 "[ . 1 . 2 .]" 1
559 1 84 LEU H 1 84 LEU MD2 3.440 . 3.640 3.514 3.436 3.622 . 0 0 "[ . 1 . 2 .]" 1
560 1 84 LEU HA 1 84 LEU HB3 2.860 . 3.060 2.520 2.501 2.542 . 0 0 "[ . 1 . 2 .]" 1
561 1 84 LEU HA 1 84 LEU HG 3.550 . 3.750 2.905 2.838 2.957 . 0 0 "[ . 1 . 2 .]" 1
562 1 84 LEU HA 1 84 LEU MD1 3.920 . 4.120 3.799 3.787 3.831 . 0 0 "[ . 1 . 2 .]" 1
563 1 84 LEU HA 1 84 LEU MD2 2.560 . 2.760 2.080 2.058 2.135 . 0 0 "[ . 1 . 2 .]" 1
564 1 84 LEU HA 1 86 ALA H 4.620 . 4.820 4.301 4.128 4.386 . 0 0 "[ . 1 . 2 .]" 1
565 1 84 LEU HA 1 87 GLU H 3.760 . 3.960 3.321 3.196 3.424 . 0 0 "[ . 1 . 2 .]" 1
566 1 84 LEU HA 1 87 GLU QB 3.080 . 3.280 2.760 2.605 2.883 . 0 0 "[ . 1 . 2 .]" 1
567 1 84 LEU HA 1 87 GLU QG 4.780 . 4.980 4.708 4.331 4.937 . 0 0 "[ . 1 . 2 .]" 1
568 1 84 LEU HA 1 88 TRP H 5.300 . 5.500 4.239 4.130 4.346 . 0 0 "[ . 1 . 2 .]" 1
569 1 84 LEU HB2 1 84 LEU HG 2.390 . 2.590 2.502 2.484 2.527 . 0 0 "[ . 1 . 2 .]" 1
570 1 84 LEU HB2 1 84 LEU MD1 3.110 . 3.310 2.322 2.253 2.382 . 0 0 "[ . 1 . 2 .]" 1
571 1 84 LEU HB2 1 84 LEU MD2 3.200 . 3.400 3.188 3.185 3.192 . 0 0 "[ . 1 . 2 .]" 1
572 1 84 LEU HB2 1 85 LEU H 3.170 . 3.370 2.774 2.723 2.836 . 0 0 "[ . 1 . 2 .]" 1
573 1 84 LEU HB2 1 85 LEU MD2 4.750 . 4.950 4.772 4.630 4.858 . 0 0 "[ . 1 . 2 .]" 1
574 1 84 LEU HB2 1 86 ALA H 5.270 . 5.470 5.071 5.001 5.164 . 0 0 "[ . 1 . 2 .]" 1
575 1 84 LEU HB2 1 88 TRP HE3 6.000 . 6.200 6.134 5.902 6.243 0.043 17 0 "[ . 1 . 2 .]" 1
576 1 84 LEU HB2 1 88 TRP HH2 5.790 . 5.990 4.932 4.668 5.146 . 0 0 "[ . 1 . 2 .]" 1
577 1 84 LEU HB2 1 88 TRP HZ2 4.510 . 4.710 4.300 4.045 4.575 . 0 0 "[ . 1 . 2 .]" 1
578 1 84 LEU HB3 1 84 LEU MD1 2.440 . 2.640 2.431 2.365 2.496 . 0 0 "[ . 1 . 2 .]" 1
579 1 84 LEU HB3 1 84 LEU MD2 2.470 . 2.670 2.221 2.202 2.246 . 0 0 "[ . 1 . 2 .]" 1
580 1 84 LEU HB3 1 85 LEU H 4.050 . 4.250 3.733 3.683 3.773 . 0 0 "[ . 1 . 2 .]" 1
581 1 84 LEU HB3 1 88 TRP HD1 6.500 . 6.700 4.856 4.587 5.131 . 0 0 "[ . 1 . 2 .]" 1
582 1 84 LEU HB3 1 88 TRP HE1 4.880 . 5.080 3.260 2.967 3.612 . 0 0 "[ . 1 . 2 .]" 1
583 1 84 LEU HB3 1 88 TRP HH2 4.590 . 4.790 4.506 4.143 4.730 . 0 0 "[ . 1 . 2 .]" 1
584 1 84 LEU HB3 1 88 TRP HZ2 4.260 . 4.460 3.079 2.814 3.338 . 0 0 "[ . 1 . 2 .]" 1
585 1 84 LEU MD2 1 85 LEU H 4.570 . 4.770 4.676 4.654 4.705 . 0 0 "[ . 1 . 2 .]" 1
586 1 84 LEU QD 1 88 TRP HZ2 3.400 . 3.600 3.259 2.935 3.479 . 0 0 "[ . 1 . 2 .]" 1
587 1 85 LEU H 1 85 LEU HB2 2.850 . 3.050 2.346 2.322 2.387 . 0 0 "[ . 1 . 2 .]" 1
588 1 85 LEU H 1 85 LEU HB3 3.590 . 3.790 3.602 3.587 3.615 . 0 0 "[ . 1 . 2 .]" 1
589 1 85 LEU H 1 85 LEU HG 2.950 . 3.150 2.560 2.458 2.615 . 0 0 "[ . 1 . 2 .]" 1
590 1 85 LEU H 1 85 LEU MD1 3.780 . 3.980 3.426 3.363 3.474 . 0 0 "[ . 1 . 2 .]" 1
591 1 85 LEU H 1 85 LEU MD2 3.900 . 4.100 3.860 3.785 3.899 . 0 0 "[ . 1 . 2 .]" 1
592 1 85 LEU H 1 86 ALA H 3.160 . 3.360 2.563 2.543 2.587 . 0 0 "[ . 1 . 2 .]" 1
593 1 85 LEU H 1 87 GLU QB 5.170 . 5.370 4.953 4.838 5.049 . 0 0 "[ . 1 . 2 .]" 1
594 1 85 LEU HA 1 85 LEU HB3 2.790 . 2.990 2.582 2.560 2.594 . 0 0 "[ . 1 . 2 .]" 1
595 1 85 LEU HA 1 85 LEU HG 3.050 . 3.250 2.673 2.638 2.722 . 0 0 "[ . 1 . 2 .]" 1
596 1 85 LEU HA 1 85 LEU MD1 3.930 . 4.130 3.814 3.805 3.836 . 0 0 "[ . 1 . 2 .]" 1
597 1 85 LEU HA 1 85 LEU MD2 2.580 . 2.780 2.187 2.180 2.193 . 0 0 "[ . 1 . 2 .]" 1
598 1 85 LEU HA 1 88 TRP H 3.860 . 4.060 3.182 3.092 3.309 . 0 0 "[ . 1 . 2 .]" 1
599 1 85 LEU HA 1 88 TRP HE1 6.000 . 6.200 5.293 5.099 5.500 . 0 0 "[ . 1 . 2 .]" 1
600 1 85 LEU HA 1 88 TRP HE3 3.160 . 3.360 3.090 2.947 3.159 . 0 0 "[ . 1 . 2 .]" 1
601 1 85 LEU HA 1 88 TRP HZ3 5.750 . 5.950 4.506 4.395 4.596 . 0 0 "[ . 1 . 2 .]" 1
602 1 85 LEU HA 1 88 TRP QB 2.990 . 3.190 2.608 2.422 2.840 . 0 0 "[ . 1 . 2 .]" 1
603 1 85 LEU HA 1 89 LYS H 5.090 . 5.290 4.076 3.866 4.261 . 0 0 "[ . 1 . 2 .]" 1
604 1 85 LEU HB2 1 85 LEU HG 2.590 . 2.790 2.577 2.552 2.589 . 0 0 "[ . 1 . 2 .]" 1
605 1 85 LEU HB2 1 85 LEU MD1 2.680 . 2.880 2.241 2.195 2.301 . 0 0 "[ . 1 . 2 .]" 1
606 1 85 LEU HB2 1 85 LEU MD2 3.220 . 3.420 3.173 3.168 3.184 . 0 0 "[ . 1 . 2 .]" 1
607 1 85 LEU HB2 1 86 ALA H 3.260 . 3.460 2.760 2.693 2.832 . 0 0 "[ . 1 . 2 .]" 1
608 1 85 LEU HB2 1 87 GLU H 5.150 . 5.350 5.001 4.912 5.128 . 0 0 "[ . 1 . 2 .]" 1
609 1 85 LEU HB2 1 88 TRP HE3 5.990 . 6.190 5.635 5.499 5.787 . 0 0 "[ . 1 . 2 .]" 1
610 1 85 LEU HB3 1 85 LEU MD1 2.810 . 3.010 2.515 2.461 2.548 . 0 0 "[ . 1 . 2 .]" 1
611 1 85 LEU HB3 1 85 LEU MD2 2.930 . 3.130 2.190 2.178 2.197 . 0 0 "[ . 1 . 2 .]" 1
612 1 85 LEU HB3 1 88 TRP HE3 5.640 . 5.840 4.671 4.525 4.809 . 0 0 "[ . 1 . 2 .]" 1
613 1 85 LEU HG 1 88 TRP HE3 4.210 . 4.410 4.175 3.949 4.430 0.020 18 0 "[ . 1 . 2 .]" 1
614 1 85 LEU MD1 1 86 ALA H 4.540 . 4.740 4.549 4.489 4.609 . 0 0 "[ . 1 . 2 .]" 1
615 1 85 LEU MD1 1 88 TRP HE3 5.010 . 5.210 4.798 4.659 5.028 . 0 0 "[ . 1 . 2 .]" 1
616 1 85 LEU MD2 1 88 TRP H 5.510 . 5.710 4.730 4.620 4.895 . 0 0 "[ . 1 . 2 .]" 1
617 1 85 LEU MD2 1 88 TRP HE3 2.890 . 3.090 2.204 2.087 2.380 . 0 0 "[ . 1 . 2 .]" 1
618 1 85 LEU MD2 1 88 TRP HH2 4.240 . 4.440 3.982 3.773 4.145 . 0 0 "[ . 1 . 2 .]" 1
619 1 85 LEU MD2 1 88 TRP HZ3 3.310 . 3.510 2.282 2.205 2.563 . 0 0 "[ . 1 . 2 .]" 1
620 1 85 LEU MD2 1 88 TRP QB 4.030 . 4.230 3.214 3.061 3.480 . 0 0 "[ . 1 . 2 .]" 1
621 1 86 ALA H 1 86 ALA MB 2.800 . 3.000 2.149 2.048 2.261 . 0 0 "[ . 1 . 2 .]" 1
622 1 86 ALA H 1 87 GLU H 2.960 . 3.160 2.599 2.563 2.636 . 0 0 "[ . 1 . 2 .]" 1
623 1 86 ALA H 1 87 GLU QB 4.560 . 4.760 4.431 4.388 4.477 . 0 0 "[ . 1 . 2 .]" 1
624 1 86 ALA H 1 88 TRP H 4.600 . 4.800 4.073 3.990 4.208 . 0 0 "[ . 1 . 2 .]" 1
625 1 86 ALA HA 1 89 LYS QB 3.200 . 3.400 2.621 2.401 2.912 . 0 0 "[ . 1 . 2 .]" 1
626 1 86 ALA HA 1 89 LYS QD 3.800 . 4.000 3.679 2.522 4.034 0.034 13 0 "[ . 1 . 2 .]" 1
627 1 86 ALA HA 1 89 LYS QE 6.000 . 6.200 4.964 2.537 6.078 . 0 0 "[ . 1 . 2 .]" 1
628 1 86 ALA HA 1 89 LYS QG 5.000 . 5.200 4.451 3.257 4.895 . 0 0 "[ . 1 . 2 .]" 1
629 1 86 ALA MB 1 87 GLU H 3.160 . 3.360 2.732 2.627 2.806 . 0 0 "[ . 1 . 2 .]" 1
630 1 86 ALA MB 1 87 GLU HA 3.940 . 4.140 3.847 3.778 3.919 . 0 0 "[ . 1 . 2 .]" 1
631 1 86 ALA MB 1 88 TRP H 4.600 . 4.800 4.549 4.471 4.653 . 0 0 "[ . 1 . 2 .]" 1
632 1 87 GLU H 1 87 GLU QB 2.710 . 2.910 2.300 2.270 2.316 . 0 0 "[ . 1 . 2 .]" 1
633 1 87 GLU H 1 87 GLU QG 4.170 . 4.370 4.010 3.957 4.075 . 0 0 "[ . 1 . 2 .]" 1
634 1 87 GLU H 1 88 TRP H 3.260 . 3.460 2.488 2.432 2.575 . 0 0 "[ . 1 . 2 .]" 1
635 1 87 GLU HA 1 87 GLU QB 2.440 . 2.640 2.402 2.339 2.453 . 0 0 "[ . 1 . 2 .]" 1
636 1 87 GLU HA 1 87 GLU QG 3.040 . 3.240 2.379 2.250 2.641 . 0 0 "[ . 1 . 2 .]" 1
637 1 87 GLU HA 1 88 TRP HD1 5.250 . 5.450 4.842 4.658 4.997 . 0 0 "[ . 1 . 2 .]" 1
638 1 87 GLU QB 1 87 GLU QG 2.350 . 2.550 2.082 2.044 2.108 . 0 0 "[ . 1 . 2 .]" 1
639 1 87 GLU QB 1 88 TRP H 3.110 . 3.310 2.627 2.496 2.705 . 0 0 "[ . 1 . 2 .]" 1
640 1 87 GLU QB 1 88 TRP HA 4.570 . 4.770 4.154 4.029 4.295 . 0 0 "[ . 1 . 2 .]" 1
641 1 87 GLU QB 1 88 TRP HD1 3.990 . 4.190 2.880 2.683 3.152 . 0 0 "[ . 1 . 2 .]" 1
642 1 87 GLU QB 1 88 TRP HE1 5.890 . 6.090 3.902 3.676 4.159 . 0 0 "[ . 1 . 2 .]" 1
643 1 87 GLU QB 1 89 LYS H 4.930 . 5.130 4.634 4.491 4.789 . 0 0 "[ . 1 . 2 .]" 1
644 1 87 GLU QG 1 88 TRP H 4.080 . 4.280 3.813 3.492 4.045 . 0 0 "[ . 1 . 2 .]" 1
645 1 87 GLU QG 1 88 TRP HA 4.350 . 4.550 3.911 3.537 4.275 . 0 0 "[ . 1 . 2 .]" 1
646 1 87 GLU QG 1 88 TRP HD1 3.680 . 3.880 3.296 2.610 3.864 . 0 0 "[ . 1 . 2 .]" 1
647 1 87 GLU QG 1 88 TRP HE1 5.410 . 5.610 4.766 4.135 5.323 . 0 0 "[ . 1 . 2 .]" 1
648 1 87 GLU QG 1 91 THR MG 3.610 . 3.810 2.870 2.612 3.514 . 0 0 "[ . 1 . 2 .]" 1
649 1 88 TRP H 1 88 TRP HD1 3.970 . 4.170 2.694 2.561 2.888 . 0 0 "[ . 1 . 2 .]" 1
650 1 88 TRP H 1 88 TRP HE3 4.810 . 5.010 4.865 4.749 4.941 . 0 0 "[ . 1 . 2 .]" 1
651 1 88 TRP H 1 88 TRP QB 2.870 . 3.070 2.489 2.427 2.549 . 0 0 "[ . 1 . 2 .]" 1
652 1 88 TRP H 1 89 LYS H 3.330 . 3.530 2.541 2.478 2.610 . 0 0 "[ . 1 . 2 .]" 1
653 1 88 TRP H 1 89 LYS QG 6.000 . 6.200 6.100 5.154 6.252 0.052 21 0 "[ . 1 . 2 .]" 1
654 1 88 TRP HA 1 88 TRP HD1 2.650 . 2.850 2.253 2.214 2.282 . 0 0 "[ . 1 . 2 .]" 1
655 1 88 TRP HA 1 88 TRP HE1 5.060 . 5.260 4.708 4.660 4.746 . 0 0 "[ . 1 . 2 .]" 1
656 1 88 TRP HA 1 88 TRP QB 2.510 . 2.710 2.362 2.338 2.386 . 0 0 "[ . 1 . 2 .]" 1
657 1 88 TRP HA 1 89 LYS QB 5.730 . 5.930 5.207 5.180 5.242 . 0 0 "[ . 1 . 2 .]" 1
658 1 88 TRP HA 1 90 ARG H 4.890 . 5.090 4.440 4.049 4.591 . 0 0 "[ . 1 . 2 .]" 1
659 1 88 TRP HA 1 90 ARG QB 6.000 . 6.200 5.119 4.939 5.288 . 0 0 "[ . 1 . 2 .]" 1
660 1 88 TRP HA 1 91 THR MG 4.250 . 4.450 3.483 2.367 3.956 . 0 0 "[ . 1 . 2 .]" 1
661 1 88 TRP HD1 1 89 LYS H 5.270 . 5.470 4.703 4.597 4.806 . 0 0 "[ . 1 . 2 .]" 1
662 1 88 TRP HD1 1 91 THR MG 5.670 . 5.870 4.399 3.633 4.812 . 0 0 "[ . 1 . 2 .]" 1
663 1 88 TRP HE3 1 89 LYS H 6.000 . 6.200 5.481 5.288 5.683 . 0 0 "[ . 1 . 2 .]" 1
664 1 88 TRP QB 1 88 TRP HD1 3.310 . 3.510 3.214 3.197 3.227 . 0 0 "[ . 1 . 2 .]" 1
665 1 88 TRP QB 1 88 TRP HE3 2.930 . 3.130 2.647 2.622 2.664 . 0 0 "[ . 1 . 2 .]" 1
666 1 88 TRP QB 1 89 LYS H 3.410 . 3.610 2.630 2.439 2.785 . 0 0 "[ . 1 . 2 .]" 1
667 1 88 TRP QB 1 91 THR MG 5.210 . 5.410 5.048 3.895 5.453 0.043 7 0 "[ . 1 . 2 .]" 1
668 1 89 LYS H 1 89 LYS QB 2.740 . 2.940 2.239 2.107 2.302 . 0 0 "[ . 1 . 2 .]" 1
669 1 89 LYS H 1 89 LYS QD 4.610 . 4.810 4.424 3.971 4.768 . 0 0 "[ . 1 . 2 .]" 1
670 1 89 LYS H 1 89 LYS QE 6.000 . 6.200 5.530 4.176 6.183 . 0 0 "[ . 1 . 2 .]" 1
671 1 89 LYS H 1 89 LYS QG 4.240 . 4.440 3.906 3.195 4.054 . 0 0 "[ . 1 . 2 .]" 1
672 1 89 LYS H 1 90 ARG H 2.730 . 2.930 2.574 2.419 2.656 . 0 0 "[ . 1 . 2 .]" 1
673 1 89 LYS HA 1 89 LYS HG2 3.860 . 4.060 3.072 2.351 3.687 . 0 0 "[ . 1 . 2 .]" 1
674 1 89 LYS HA 1 89 LYS HG3 3.860 . 4.060 2.662 2.311 3.509 . 0 0 "[ . 1 . 2 .]" 1
675 1 89 LYS HA 1 89 LYS QB 2.530 . 2.730 2.347 2.164 2.464 . 0 0 "[ . 1 . 2 .]" 1
676 1 89 LYS HA 1 89 LYS QE 6.000 . 6.200 4.597 3.531 5.304 . 0 0 "[ . 1 . 2 .]" 1
677 1 89 LYS HA 1 89 LYS QG 3.370 . 3.570 2.434 2.229 3.095 . 0 0 "[ . 1 . 2 .]" 1
678 1 89 LYS HA 1 90 ARG H 3.550 . 3.750 3.560 3.443 3.584 . 0 0 "[ . 1 . 2 .]" 1
679 1 89 LYS QE 1 89 LYS HG2 3.320 . 3.520 2.692 2.232 3.519 . 0 0 "[ . 1 . 2 .]" 1
680 1 89 LYS QE 1 89 LYS HG3 3.320 . 3.520 2.670 2.227 3.398 . 0 0 "[ . 1 . 2 .]" 1
681 1 89 LYS QB 1 89 LYS QD 2.240 . 2.440 2.140 2.086 2.293 . 0 0 "[ . 1 . 2 .]" 1
682 1 89 LYS QB 1 89 LYS QE 3.580 . 3.780 3.170 2.079 3.678 . 0 0 "[ . 1 . 2 .]" 1
683 1 89 LYS QB 1 89 LYS QG 2.330 . 2.530 2.097 2.050 2.112 . 0 0 "[ . 1 . 2 .]" 1
684 1 89 LYS QB 1 90 ARG H 3.370 . 3.570 2.755 2.582 3.283 . 0 0 "[ . 1 . 2 .]" 1
685 1 89 LYS QE 1 89 LYS QG 2.730 . 2.930 2.281 2.089 2.850 . 0 0 "[ . 1 . 2 .]" 1
686 1 89 LYS QG 1 90 ARG H 4.240 . 4.440 3.600 2.278 4.029 . 0 0 "[ . 1 . 2 .]" 1
687 1 89 LYS QG 1 90 ARG HA 3.950 . 4.150 3.617 2.909 4.172 0.022 6 0 "[ . 1 . 2 .]" 1
688 1 90 ARG H 1 90 ARG HD2 5.660 . 5.860 4.784 3.558 5.934 0.074 10 0 "[ . 1 . 2 .]" 1
689 1 90 ARG H 1 90 ARG HD3 5.660 . 5.860 4.451 2.408 5.887 0.027 24 0 "[ . 1 . 2 .]" 1
690 1 90 ARG H 1 90 ARG HG2 4.000 . 4.200 4.061 2.770 4.555 0.355 13 0 "[ . 1 . 2 .]" 1
691 1 90 ARG H 1 90 ARG HG3 4.000 . 4.200 3.716 2.364 4.435 0.235 20 0 "[ . 1 . 2 .]" 1
692 1 90 ARG H 1 90 ARG QB 2.750 . 2.950 2.175 2.062 2.380 . 0 0 "[ . 1 . 2 .]" 1
693 1 90 ARG H 1 90 ARG QD 4.980 . 5.180 3.986 2.392 4.988 . 0 0 "[ . 1 . 2 .]" 1
694 1 90 ARG H 1 90 ARG QG 3.800 . 4.000 3.352 2.336 3.960 . 0 0 "[ . 1 . 2 .]" 1
695 1 90 ARG H 1 91 THR H 3.260 . 3.460 2.723 2.572 2.779 . 0 0 "[ . 1 . 2 .]" 1
696 1 90 ARG H 1 91 THR MG 4.740 . 4.940 3.996 3.567 4.831 . 0 0 "[ . 1 . 2 .]" 1
697 1 90 ARG HA 1 90 ARG QB 2.460 . 2.660 2.472 2.291 2.549 . 0 0 "[ . 1 . 2 .]" 1
698 1 90 ARG HA 1 90 ARG QD 3.960 . 4.160 3.420 2.129 4.081 . 0 0 "[ . 1 . 2 .]" 1
699 1 90 ARG HA 1 90 ARG QG 2.900 . 3.100 2.311 2.147 2.969 . 0 0 "[ . 1 . 2 .]" 1
700 1 90 ARG HA 1 91 THR MG 5.040 . 5.240 4.608 4.331 5.119 . 0 0 "[ . 1 . 2 .]" 1
701 1 90 ARG HG2 1 91 THR H 5.210 . 5.410 4.626 3.245 5.154 . 0 0 "[ . 1 . 2 .]" 1
702 1 90 ARG HG3 1 91 THR H 5.210 . 5.410 4.716 3.502 5.147 . 0 0 "[ . 1 . 2 .]" 1
703 1 90 ARG QB 1 90 ARG HD2 3.200 . 3.400 2.888 2.166 3.469 0.069 11 0 "[ . 1 . 2 .]" 1
704 1 90 ARG QB 1 90 ARG HD3 3.200 . 3.400 2.488 2.153 3.336 . 0 0 "[ . 1 . 2 .]" 1
705 1 90 ARG QB 1 90 ARG HG2 2.590 . 2.790 2.333 2.170 2.508 . 0 0 "[ . 1 . 2 .]" 1
706 1 90 ARG QB 1 90 ARG HG3 2.590 . 2.790 2.349 2.176 2.469 . 0 0 "[ . 1 . 2 .]" 1
707 1 90 ARG QB 1 90 ARG QD 2.640 . 2.840 2.220 2.097 2.557 . 0 0 "[ . 1 . 2 .]" 1
708 1 90 ARG QB 1 90 ARG QG 2.180 . 2.380 2.074 2.011 2.109 . 0 0 "[ . 1 . 2 .]" 1
709 1 90 ARG QB 1 91 THR H 3.440 . 3.640 2.606 2.505 2.690 . 0 0 "[ . 1 . 2 .]" 1
710 1 90 ARG QB 1 91 THR HA 4.200 . 4.400 4.093 3.904 4.522 0.122 9 0 "[ . 1 . 2 .]" 1
711 1 90 ARG QB 1 91 THR MG 3.680 . 3.880 2.845 2.356 3.825 . 0 0 "[ . 1 . 2 .]" 1
712 1 90 ARG QB 1 92 GLY H 5.250 . 5.450 4.555 4.481 4.656 . 0 0 "[ . 1 . 2 .]" 1
713 1 90 ARG QD 1 90 ARG QG 2.310 . 2.510 2.058 1.964 2.109 . 0 0 "[ . 1 . 2 .]" 1
714 1 90 ARG QG 1 91 THR H 4.590 . 4.790 4.113 3.133 4.505 . 0 0 "[ . 1 . 2 .]" 1
715 1 91 THR H 1 91 THR HB 3.810 . 4.010 3.542 2.755 3.701 . 0 0 "[ . 1 . 2 .]" 1
716 1 91 THR H 1 91 THR MG 3.540 . 3.740 2.042 1.760 2.717 0.040 19 0 "[ . 1 . 2 .]" 1
717 1 91 THR HA 1 91 THR MG 3.300 . 3.500 2.689 2.264 3.196 . 0 0 "[ . 1 . 2 .]" 1
718 1 91 THR HA 1 92 GLY H 3.500 . 3.700 3.548 3.526 3.564 . 0 0 "[ . 1 . 2 .]" 1
719 1 91 THR MG 1 92 GLY H 4.950 . 5.150 3.037 1.757 3.992 0.043 21 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 17
_Distance_constraint_stats_list.Viol_count 198
_Distance_constraint_stats_list.Viol_total 2175.307
_Distance_constraint_stats_list.Viol_max 1.922
_Distance_constraint_stats_list.Viol_rms 0.5076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2047
_Distance_constraint_stats_list.Viol_average_violations_only 0.4395
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 65 PRO 0.019 0.016 22 0 "[ . 1 . 2 .]"
1 68 ILE 0.019 0.016 22 0 "[ . 1 . 2 .]"
1 69 ASP 77.252 1.922 13 24 "[***** ******+******-*****]"
1 70 PRO 0.262 0.047 8 0 "[ . 1 . 2 .]"
1 71 GLN 39.580 1.922 13 24 "[***** ******+******-*****]"
1 72 VAL 37.672 1.881 13 24 "[***** ******+***-********]"
1 73 PHE 0.647 0.069 24 0 "[ . 1 . 2 .]"
1 74 TYR 0.262 0.047 8 0 "[ . 1 . 2 .]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 GLU 0.304 0.047 11 0 "[ . 1 . 2 .]"
1 79 ALA 1.712 0.100 19 0 "[ . 1 . 2 .]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 GLN 0.693 0.069 24 0 "[ . 1 . 2 .]"
1 82 LYS 1.146 0.080 16 0 "[ . 1 . 2 .]"
1 83 GLU 4.924 0.158 19 0 "[ . 1 . 2 .]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 LEU 0.046 0.024 16 0 "[ . 1 . 2 .]"
1 86 ALA 0.974 0.080 16 0 "[ . 1 . 2 .]"
1 87 GLU 5.795 0.158 19 0 "[ . 1 . 2 .]"
1 88 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 90 ARG 0.132 0.030 13 0 "[ . 1 . 2 .]"
1 91 THR 2.584 0.138 15 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 65 PRO O 1 68 ILE H 2.000 . 2.200 2.071 2.000 2.216 0.016 22 0 "[ . 1 . 2 .]" 2
2 1 65 PRO O 1 68 ILE N 3.000 . 3.200 3.041 2.966 3.184 . 0 0 "[ . 1 . 2 .]" 2
3 1 69 ASP OD2 1 71 GLN H 2.000 . 2.200 3.781 2.152 4.122 1.922 13 24 "[***** ******+******-*****]" 2
4 1 69 ASP OD2 1 72 VAL H 2.500 . 2.700 4.189 2.264 4.581 1.881 13 24 "[***** ******+***-********]" 2
5 1 73 PHE O 1 81 GLN NE2 3.500 . 3.700 3.712 3.566 3.769 0.069 24 0 "[ . 1 . 2 .]" 2
6 1 70 PRO O 1 74 TYR H 2.000 . 2.200 2.181 2.030 2.247 0.047 8 0 "[ . 1 . 2 .]" 2
7 1 77 PRO O 1 81 GLN H 2.000 . 2.200 1.972 1.886 2.077 . 0 0 "[ . 1 . 2 .]" 2
8 1 78 GLU O 1 82 LYS H 2.000 . 2.200 1.810 1.753 1.915 0.047 11 0 "[ . 1 . 2 .]" 2
9 1 79 ALA O 1 83 GLU H 2.000 . 2.200 2.268 2.229 2.300 0.100 19 0 "[ . 1 . 2 .]" 2
10 1 80 VAL O 1 84 LEU H 2.000 . 2.200 2.017 1.883 2.139 . 0 0 "[ . 1 . 2 .]" 2
11 1 81 GLN O 1 85 LEU H 2.000 . 2.200 1.879 1.776 2.016 0.024 16 0 "[ . 1 . 2 .]" 2
12 1 82 LYS O 1 86 ALA H 2.000 . 2.200 1.783 1.720 1.943 0.080 16 0 "[ . 1 . 2 .]" 2
13 1 83 GLU O 1 87 GLU H 2.000 . 2.200 2.328 2.291 2.358 0.158 19 0 "[ . 1 . 2 .]" 2
14 1 84 LEU O 1 88 TRP H 2.000 . 2.200 2.095 1.980 2.194 . 0 0 "[ . 1 . 2 .]" 2
15 1 85 LEU O 1 89 LYS H 2.000 . 2.200 2.000 1.859 2.157 . 0 0 "[ . 1 . 2 .]" 2
16 1 86 ALA O 1 90 ARG H 2.000 . 2.200 2.124 1.897 2.230 0.030 13 0 "[ . 1 . 2 .]" 2
17 1 87 GLU O 1 91 THR H 2.000 . 2.200 2.303 2.268 2.338 0.138 15 0 "[ . 1 . 2 .]" 2
stop_
save_
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