NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573704 |
2ly3   |
18707 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ly3
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 1267
_Distance_constraint_stats_list.Viol_count 1616
_Distance_constraint_stats_list.Viol_total 634.179
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.431 0.037 1 0 "[ . 1]"
1 3 VAL 0.650 0.097 1 0 "[ . 1]"
1 4 ARG 0.523 0.097 1 0 "[ . 1]"
1 5 LEU 1.067 0.117 4 0 "[ . 1]"
1 6 GLN 0.362 0.069 7 0 "[ . 1]"
1 7 VAL 0.155 0.034 3 0 "[ . 1]"
1 8 GLU 0.221 0.034 3 0 "[ . 1]"
1 9 GLY 1.188 0.132 1 0 "[ . 1]"
1 10 LEU 5.049 0.149 3 0 "[ . 1]"
1 11 SER 1.188 0.102 7 0 "[ . 1]"
1 12 GLY 0.020 0.010 3 0 "[ . 1]"
1 13 GLN 0.434 0.078 10 0 "[ . 1]"
1 14 LEU 8.445 0.178 8 0 "[ . 1]"
1 15 GLU 1.553 0.086 10 0 "[ . 1]"
1 16 LYS 0.707 0.078 10 0 "[ . 1]"
1 17 ASN 0.802 0.075 2 0 "[ . 1]"
1 18 VAL 0.200 0.042 7 0 "[ . 1]"
1 19 ARG 0.202 0.032 7 0 "[ . 1]"
1 20 ALA 0.034 0.012 1 0 "[ . 1]"
1 21 GLN 1.089 0.101 1 0 "[ . 1]"
1 22 LEU 1.655 0.139 6 0 "[ . 1]"
1 23 SER 0.026 0.014 3 0 "[ . 1]"
1 24 THR 0.413 0.079 10 0 "[ . 1]"
1 25 ILE 2.051 0.115 8 0 "[ . 1]"
1 26 GLU 0.567 0.124 5 0 "[ . 1]"
1 27 SER 0.897 0.116 5 0 "[ . 1]"
1 28 ASP 0.444 0.124 5 0 "[ . 1]"
1 29 GLU 0.677 0.120 7 0 "[ . 1]"
1 30 VAL 1.210 0.104 8 0 "[ . 1]"
1 31 THR 0.053 0.012 5 0 "[ . 1]"
1 32 PRO 0.194 0.025 6 0 "[ . 1]"
1 33 ASP 0.621 0.087 8 0 "[ . 1]"
1 34 ARG 0.275 0.024 2 0 "[ . 1]"
1 35 ARG 1.240 0.069 8 0 "[ . 1]"
1 36 PHE 2.493 0.104 8 0 "[ . 1]"
1 37 ARG 4.160 0.119 10 0 "[ . 1]"
1 38 ALA 0.068 0.013 7 0 "[ . 1]"
1 39 ARG 0.661 0.047 9 0 "[ . 1]"
1 40 VAL 2.316 0.115 8 0 "[ . 1]"
1 41 ASP 0.805 0.089 1 0 "[ . 1]"
1 42 ASP 1.169 0.051 9 0 "[ . 1]"
1 43 ALA 0.706 0.068 8 0 "[ . 1]"
1 44 ILE 2.321 0.103 8 0 "[ . 1]"
1 45 ARG 3.188 0.182 2 0 "[ . 1]"
1 46 GLU 1.963 0.127 3 0 "[ . 1]"
1 47 GLY 0.633 0.088 9 0 "[ . 1]"
1 48 LEU 9.113 0.182 2 0 "[ . 1]"
1 49 LYS 1.827 0.095 6 0 "[ . 1]"
1 50 ALA 1.882 0.121 1 0 "[ . 1]"
1 51 LEU 2.471 0.135 7 0 "[ . 1]"
1 52 GLY 2.565 0.134 6 0 "[ . 1]"
1 53 TYR 4.221 0.172 10 0 "[ . 1]"
1 54 TYR 1.061 0.089 9 0 "[ . 1]"
1 55 GLN 0.264 0.089 9 0 "[ . 1]"
1 56 PRO 3.790 0.172 6 0 "[ . 1]"
1 57 THR 0.068 0.016 4 0 "[ . 1]"
1 58 ILE 1.820 0.149 1 0 "[ . 1]"
1 59 GLU 0.504 0.074 6 0 "[ . 1]"
1 60 PHE 0.709 0.074 6 0 "[ . 1]"
1 61 ASP 0.230 0.058 9 0 "[ . 1]"
1 62 LEU 2.019 0.155 1 0 "[ . 1]"
1 63 ARG 3.484 0.194 10 0 "[ . 1]"
1 64 PRO 0.146 0.030 4 0 "[ . 1]"
1 65 PRO 1.197 0.087 4 0 "[ . 1]"
1 66 PRO 1.087 0.066 1 0 "[ . 1]"
1 67 LYS 1.523 0.196 2 0 "[ . 1]"
1 68 LYS 2.876 0.165 1 0 "[ . 1]"
1 69 GLY 1.848 0.165 1 0 "[ . 1]"
1 70 ARG 0.705 0.063 7 0 "[ . 1]"
1 71 GLN 1.117 0.193 4 0 "[ . 1]"
1 72 VAL 2.462 0.193 4 0 "[ . 1]"
1 73 LEU 1.252 0.111 2 0 "[ . 1]"
1 74 ILE 0.496 0.058 5 0 "[ . 1]"
1 75 ALA 0.067 0.016 7 0 "[ . 1]"
1 76 LYS 0.004 0.001 3 0 "[ . 1]"
1 77 VAL 0.464 0.060 6 0 "[ . 1]"
1 78 THR 0.098 0.027 5 0 "[ . 1]"
1 79 PRO 3.198 0.118 4 0 "[ . 1]"
1 80 GLY 0.219 0.054 9 0 "[ . 1]"
1 81 VAL 0.862 0.079 5 0 "[ . 1]"
1 82 LEU 0.605 0.076 6 0 "[ . 1]"
1 83 GLU 0.083 0.033 9 0 "[ . 1]"
1 84 HIS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HB3 1 3 VAL MG1 5.500 . 5.500 4.192 3.975 4.327 . 0 0 "[ . 1]" 1
2 1 2 ASN HA 1 3 VAL H . . 2.700 2.434 2.209 2.725 0.025 3 0 "[ . 1]" 1
3 1 2 ASN HA 1 3 VAL MG1 4.960 . 4.960 4.144 3.834 4.413 . 0 0 "[ . 1]" 1
4 1 2 ASN HA 1 70 ARG H 5.080 . 5.080 4.615 4.349 4.914 . 0 0 "[ . 1]" 1
5 1 2 ASN HB3 1 70 ARG HA 4.540 . 4.540 4.507 4.403 4.553 0.013 7 0 "[ . 1]" 1
6 1 2 ASN HB3 1 70 ARG H 4.450 . 4.450 2.419 2.066 3.044 . 0 0 "[ . 1]" 1
7 1 2 ASN HB3 1 70 ARG QD 4.150 . 4.150 2.893 1.954 4.170 0.020 3 0 "[ . 1]" 1
8 1 2 ASN HB3 1 70 ARG HG2 4.370 . 4.370 3.373 2.207 3.945 . 0 0 "[ . 1]" 1
9 1 2 ASN HB2 1 70 ARG HG2 4.360 . 4.360 2.356 1.929 2.584 . 0 0 "[ . 1]" 1
10 1 2 ASN HB2 1 70 ARG QB 5.500 . 5.500 2.394 1.907 3.838 . 0 0 "[ . 1]" 1
11 1 2 ASN HB2 1 70 ARG HG3 5.500 . 5.500 3.255 1.993 3.921 . 0 0 "[ . 1]" 1
12 1 2 ASN HB2 1 70 ARG HA 4.490 . 4.490 4.516 4.496 4.527 0.037 1 0 "[ . 1]" 1
13 1 2 ASN HA 1 70 ARG HG2 5.500 . 5.500 5.136 4.371 5.511 0.011 6 0 "[ . 1]" 1
14 1 3 VAL H 1 3 VAL MG1 3.970 . 3.970 3.093 2.888 3.190 . 0 0 "[ . 1]" 1
15 1 3 VAL H 1 3 VAL HB 3.960 . 3.960 3.923 3.820 3.957 . 0 0 "[ . 1]" 1
16 1 3 VAL HA 1 3 VAL MG2 3.590 . 3.590 3.199 3.187 3.205 . 0 0 "[ . 1]" 1
17 1 3 VAL H 1 3 VAL MG2 4.180 . 4.180 2.401 2.212 2.487 . 0 0 "[ . 1]" 1
18 1 3 VAL H 1 4 ARG H 4.710 . 4.710 4.353 4.219 4.454 . 0 0 "[ . 1]" 1
19 1 3 VAL HA 1 4 ARG HB2 5.500 . 5.500 4.626 4.084 5.570 0.070 4 0 "[ . 1]" 1
20 1 3 VAL MG2 1 4 ARG H 3.600 . 3.600 3.633 3.606 3.697 0.097 1 0 "[ . 1]" 1
21 1 3 VAL HA 1 4 ARG QG 4.950 . 4.950 4.047 3.312 4.864 . 0 0 "[ . 1]" 1
22 1 3 VAL HA 1 4 ARG H . . 2.700 2.250 2.141 2.278 . 0 0 "[ . 1]" 1
23 1 3 VAL MG2 1 5 LEU H 4.690 . 4.690 4.568 4.153 4.695 0.005 4 0 "[ . 1]" 1
24 1 3 VAL MG1 1 27 SER HB3 4.890 . 4.890 4.323 3.874 4.892 0.002 2 0 "[ . 1]" 1
25 1 3 VAL MG1 1 27 SER HB2 5.270 . 5.270 4.569 4.031 5.139 . 0 0 "[ . 1]" 1
26 1 3 VAL HB 1 27 SER HB3 4.370 . 4.370 3.865 3.020 4.318 . 0 0 "[ . 1]" 1
27 1 3 VAL HB 1 27 SER HB2 4.510 . 4.510 4.114 3.564 4.547 0.037 10 0 "[ . 1]" 1
28 1 3 VAL MG2 1 27 SER HB3 5.500 . 5.500 2.568 1.978 3.034 . 0 0 "[ . 1]" 1
29 1 3 VAL HA 1 70 ARG QB 4.860 . 4.860 4.549 3.929 4.862 0.002 6 0 "[ . 1]" 1
30 1 3 VAL MG1 1 70 ARG HA 5.440 . 5.440 5.119 4.125 5.464 0.024 10 0 "[ . 1]" 1
31 1 3 VAL HA 1 71 GLN H 3.910 . 3.910 3.454 3.127 3.705 . 0 0 "[ . 1]" 1
32 1 3 VAL HA 1 71 GLN HB2 5.500 . 5.500 4.798 4.403 5.166 . 0 0 "[ . 1]" 1
33 1 3 VAL HA 1 72 VAL HA 5.500 . 5.500 3.975 3.419 4.861 . 0 0 "[ . 1]" 1
34 1 4 ARG H 1 4 ARG HD2 5.040 . 5.040 4.565 3.418 5.043 0.003 10 0 "[ . 1]" 1
35 1 4 ARG H 1 4 ARG HD3 5.130 . 5.130 4.574 2.850 5.123 . 0 0 "[ . 1]" 1
36 1 4 ARG H 1 4 ARG HB3 3.900 . 3.900 3.718 3.496 3.874 . 0 0 "[ . 1]" 1
37 1 4 ARG H 1 4 ARG HB2 4.080 . 4.080 3.096 2.750 3.843 . 0 0 "[ . 1]" 1
38 1 4 ARG HA 1 5 LEU HB2 5.170 . 5.170 4.227 4.160 4.319 . 0 0 "[ . 1]" 1
39 1 4 ARG HB2 1 5 LEU H 4.790 . 4.790 4.113 3.312 4.564 . 0 0 "[ . 1]" 1
40 1 4 ARG QG 1 5 LEU H 4.480 . 4.480 4.219 3.813 4.483 0.003 10 0 "[ . 1]" 1
41 1 4 ARG HA 1 5 LEU H . . 2.700 2.159 2.148 2.208 . 0 0 "[ . 1]" 1
42 1 5 LEU H 1 5 LEU HB3 3.500 . 3.500 3.296 3.029 3.488 . 0 0 "[ . 1]" 1
43 1 5 LEU H 1 5 LEU HB2 3.530 . 3.530 2.137 2.092 2.186 . 0 0 "[ . 1]" 1
44 1 5 LEU H 1 5 LEU MD2 4.980 . 4.980 3.681 2.862 4.354 . 0 0 "[ . 1]" 1
45 1 5 LEU HB3 1 5 LEU MD2 3.020 . 3.020 2.594 2.150 3.137 0.117 4 0 "[ . 1]" 1
46 1 5 LEU HB2 1 5 LEU MD2 3.250 . 3.250 2.266 2.025 2.595 . 0 0 "[ . 1]" 1
47 1 5 LEU H 1 5 LEU MD1 4.200 . 4.200 3.124 2.337 4.139 . 0 0 "[ . 1]" 1
48 1 5 LEU HA 1 5 LEU MD1 3.550 . 3.550 2.065 1.882 2.572 . 0 0 "[ . 1]" 1
49 1 5 LEU HA 1 5 LEU MD2 4.410 . 4.410 3.404 2.461 3.808 . 0 0 "[ . 1]" 1
50 1 5 LEU HB3 1 6 GLN H 4.540 . 4.540 3.407 3.033 3.974 . 0 0 "[ . 1]" 1
51 1 5 LEU HB2 1 6 GLN H 4.690 . 4.690 4.357 4.146 4.558 . 0 0 "[ . 1]" 1
52 1 5 LEU MD2 1 6 GLN H 4.890 . 4.890 4.407 3.604 4.914 0.024 5 0 "[ . 1]" 1
53 1 5 LEU MD1 1 6 GLN H 3.810 . 3.810 3.359 1.865 3.879 0.069 7 0 "[ . 1]" 1
54 1 5 LEU HA 1 6 GLN H . . 2.700 2.182 2.146 2.272 . 0 0 "[ . 1]" 1
55 1 5 LEU H 1 22 LEU HA 5.170 . 5.170 5.119 5.001 5.200 0.030 8 0 "[ . 1]" 1
56 1 5 LEU HB2 1 22 LEU HB3 4.740 . 4.740 2.455 1.968 3.131 . 0 0 "[ . 1]" 1
57 1 5 LEU HB3 1 22 LEU HB3 3.570 . 3.570 2.778 1.927 3.438 . 0 0 "[ . 1]" 1
58 1 5 LEU MD2 1 22 LEU MD2 3.150 . 3.150 2.429 1.883 3.213 0.063 6 0 "[ . 1]" 1
59 1 5 LEU MD2 1 22 LEU HA 5.420 . 5.420 2.882 2.027 3.911 . 0 0 "[ . 1]" 1
60 1 5 LEU HB2 1 22 LEU HA 3.390 . 3.390 3.370 3.262 3.460 0.070 1 0 "[ . 1]" 1
61 1 5 LEU HA 1 73 LEU H 4.420 . 4.420 3.416 2.605 4.091 . 0 0 "[ . 1]" 1
62 1 5 LEU MD1 1 73 LEU HB3 4.040 . 4.040 2.146 1.835 3.326 . 0 0 "[ . 1]" 1
63 1 5 LEU HA 1 73 LEU HB3 3.950 . 3.950 3.156 2.424 3.480 . 0 0 "[ . 1]" 1
64 1 5 LEU HA 1 73 LEU MD1 4.650 . 4.650 3.451 2.960 3.890 . 0 0 "[ . 1]" 1
65 1 6 GLN H 1 6 GLN QG 4.580 . 4.580 3.564 2.642 4.049 . 0 0 "[ . 1]" 1
66 1 6 GLN HA 1 6 GLN QG 3.770 . 3.770 2.265 2.078 2.585 . 0 0 "[ . 1]" 1
67 1 6 GLN QG 1 7 VAL H 4.200 . 4.200 3.285 2.207 4.209 0.009 4 0 "[ . 1]" 1
68 1 6 GLN HA 1 7 VAL MG2 4.030 . 4.030 3.463 3.402 3.564 . 0 0 "[ . 1]" 1
69 1 6 GLN HA 1 7 VAL H . . 2.700 2.186 2.140 2.286 . 0 0 "[ . 1]" 1
70 1 6 GLN H 1 73 LEU H 4.320 . 4.320 4.127 3.436 4.345 0.025 4 0 "[ . 1]" 1
71 1 7 VAL H 1 7 VAL HB 4.060 . 4.060 3.489 2.567 3.634 . 0 0 "[ . 1]" 1
72 1 7 VAL H 1 7 VAL MG2 3.470 . 3.470 1.946 1.856 2.249 . 0 0 "[ . 1]" 1
73 1 7 VAL HA 1 7 VAL MG2 3.320 . 3.320 3.088 2.367 3.182 . 0 0 "[ . 1]" 1
74 1 7 VAL H 1 7 VAL MG1 3.940 . 3.940 3.193 2.985 3.788 . 0 0 "[ . 1]" 1
75 1 7 VAL HA 1 7 VAL MG1 3.260 . 3.260 2.117 2.030 2.391 . 0 0 "[ . 1]" 1
76 1 7 VAL HB 1 8 GLU H 4.640 . 4.640 3.239 2.770 4.301 . 0 0 "[ . 1]" 1
77 1 7 VAL HA 1 8 GLU H . . 2.700 2.177 2.148 2.281 . 0 0 "[ . 1]" 1
78 1 7 VAL MG1 1 8 GLU H 3.530 . 3.530 3.458 2.830 3.564 0.034 3 0 "[ . 1]" 1
79 1 7 VAL MG1 1 10 LEU HB2 4.410 . 4.410 3.943 2.174 4.417 0.007 9 0 "[ . 1]" 1
80 1 7 VAL MG1 1 10 LEU HG 4.400 . 4.400 4.098 2.932 4.400 0.000 8 0 "[ . 1]" 1
81 1 7 VAL MG2 1 15 GLU QG 4.800 . 4.800 4.199 2.958 4.803 0.003 4 0 "[ . 1]" 1
82 1 7 VAL MG1 1 15 GLU HA 4.730 . 4.730 3.534 2.670 4.061 . 0 0 "[ . 1]" 1
83 1 7 VAL MG2 1 15 GLU HA 4.560 . 4.560 4.227 3.935 4.470 . 0 0 "[ . 1]" 1
84 1 8 GLU H 1 8 GLU QG 3.920 . 3.920 3.705 3.599 3.864 . 0 0 "[ . 1]" 1
85 1 8 GLU HA 1 8 GLU QG 3.310 . 3.310 2.141 2.046 2.230 . 0 0 "[ . 1]" 1
86 1 8 GLU H 1 8 GLU HB2 3.720 . 3.720 2.696 2.576 2.783 . 0 0 "[ . 1]" 1
87 1 8 GLU HB3 1 9 GLY H 3.940 . 3.940 3.466 3.377 3.513 . 0 0 "[ . 1]" 1
88 1 8 GLU HA 1 9 GLY H . . 2.700 2.144 2.132 2.174 . 0 0 "[ . 1]" 1
89 1 8 GLU HB2 1 9 GLY H 4.430 . 4.430 4.436 4.399 4.459 0.029 5 0 "[ . 1]" 1
90 1 8 GLU QG 1 9 GLY HA2 5.500 . 5.500 5.475 5.327 5.503 0.003 4 0 "[ . 1]" 1
91 1 8 GLU QG 1 9 GLY H 3.940 . 3.940 3.634 3.378 3.822 . 0 0 "[ . 1]" 1
92 1 8 GLU QG 1 74 ILE MG 3.780 . 3.780 3.195 2.676 3.724 . 0 0 "[ . 1]" 1
93 1 8 GLU HB2 1 74 ILE MG 4.050 . 4.050 3.390 3.145 3.588 . 0 0 "[ . 1]" 1
94 1 8 GLU H 1 76 LYS HA 4.000 . 4.000 3.172 3.029 3.457 . 0 0 "[ . 1]" 1
95 1 8 GLU HB3 1 76 LYS HG3 4.270 . 4.270 3.368 2.782 4.267 . 0 0 "[ . 1]" 1
96 1 8 GLU HB3 1 76 LYS HB3 4.320 . 4.320 2.973 2.437 3.441 . 0 0 "[ . 1]" 1
97 1 8 GLU HB3 1 76 LYS HA 4.330 . 4.330 2.547 2.254 3.048 . 0 0 "[ . 1]" 1
98 1 8 GLU HB2 1 76 LYS HA 3.580 . 3.580 2.099 1.984 2.363 . 0 0 "[ . 1]" 1
99 1 8 GLU HB2 1 77 VAL H 4.160 . 4.160 3.849 3.712 4.061 . 0 0 "[ . 1]" 1
100 1 9 GLY H 1 10 LEU MD2 5.450 . 5.450 5.051 4.918 5.179 . 0 0 "[ . 1]" 1
101 1 9 GLY HA3 1 10 LEU HG 5.500 . 5.500 3.688 3.607 3.791 . 0 0 "[ . 1]" 1
102 1 9 GLY HA3 1 77 VAL H 4.140 . 4.140 3.003 2.933 3.064 . 0 0 "[ . 1]" 1
103 1 9 GLY HA2 1 77 VAL H 4.640 . 4.640 4.651 4.606 4.676 0.036 1 0 "[ . 1]" 1
104 1 10 LEU H 1 10 LEU HB2 4.050 . 4.050 2.912 2.856 3.006 . 0 0 "[ . 1]" 1
105 1 10 LEU H 1 10 LEU MD2 3.880 . 3.880 3.889 3.816 3.909 0.029 8 0 "[ . 1]" 1
106 1 10 LEU H 1 10 LEU HB3 3.810 . 3.810 3.891 3.871 3.919 0.109 6 0 "[ . 1]" 1
107 1 10 LEU H 1 10 LEU MD1 4.200 . 4.200 3.921 3.850 4.001 . 0 0 "[ . 1]" 1
108 1 10 LEU HB3 1 10 LEU MD1 3.530 . 3.530 2.473 2.429 2.530 . 0 0 "[ . 1]" 1
109 1 10 LEU H 1 10 LEU HG 4.000 . 4.000 2.872 2.803 2.935 . 0 0 "[ . 1]" 1
110 1 10 LEU HA 1 10 LEU MD2 3.140 . 3.140 2.382 2.143 2.548 . 0 0 "[ . 1]" 1
111 1 10 LEU HA 1 10 LEU MD1 3.850 . 3.850 3.946 3.930 3.971 0.121 6 0 "[ . 1]" 1
112 1 10 LEU HA 1 11 SER H . . 2.700 2.330 2.265 2.432 . 0 0 "[ . 1]" 1
113 1 10 LEU HB2 1 11 SER H 3.820 . 3.820 3.551 3.229 3.777 . 0 0 "[ . 1]" 1
114 1 10 LEU MD2 1 11 SER H 3.690 . 3.690 3.717 3.664 3.764 0.074 6 0 "[ . 1]" 1
115 1 10 LEU HB2 1 14 LEU HB3 4.350 . 4.350 4.422 4.376 4.499 0.149 3 0 "[ . 1]" 1
116 1 10 LEU HA 1 14 LEU MD1 4.100 . 4.100 3.812 2.997 4.199 0.099 10 0 "[ . 1]" 1
117 1 10 LEU MD2 1 14 LEU HA 4.100 . 4.100 3.993 3.771 4.117 0.017 6 0 "[ . 1]" 1
118 1 10 LEU MD2 1 14 LEU HB3 3.460 . 3.460 2.339 2.114 2.624 . 0 0 "[ . 1]" 1
119 1 10 LEU HB2 1 15 GLU H 4.270 . 4.270 3.563 3.149 3.786 . 0 0 "[ . 1]" 1
120 1 10 LEU MD2 1 15 GLU H 5.090 . 5.090 4.125 3.925 4.308 . 0 0 "[ . 1]" 1
121 1 10 LEU HA 1 15 GLU H 4.280 . 4.280 4.178 3.987 4.343 0.063 6 0 "[ . 1]" 1
122 1 10 LEU H 1 15 GLU HB3 5.270 . 5.270 4.780 4.292 5.299 0.029 6 0 "[ . 1]" 1
123 1 10 LEU HB3 1 15 GLU H 5.180 . 5.180 2.664 2.470 2.799 . 0 0 "[ . 1]" 1
124 1 10 LEU HB3 1 15 GLU HB2 3.710 . 3.710 3.384 2.813 3.735 0.025 3 0 "[ . 1]" 1
125 1 10 LEU HB2 1 15 GLU HB2 3.940 . 3.940 2.418 1.960 2.825 . 0 0 "[ . 1]" 1
126 1 10 LEU HB2 1 15 GLU QG 4.350 . 4.350 4.117 3.626 4.371 0.021 4 0 "[ . 1]" 1
127 1 10 LEU MD1 1 15 GLU H 5.070 . 5.070 4.143 3.900 4.300 . 0 0 "[ . 1]" 1
128 1 10 LEU MD1 1 15 GLU HA 3.620 . 3.620 1.942 1.912 1.972 . 0 0 "[ . 1]" 1
129 1 10 LEU HA 1 15 GLU HA 4.770 . 4.770 4.463 4.343 4.628 . 0 0 "[ . 1]" 1
130 1 10 LEU HB3 1 15 GLU HA 3.830 . 3.830 2.201 2.007 2.475 . 0 0 "[ . 1]" 1
131 1 10 LEU HB2 1 15 GLU HA 3.570 . 3.570 2.183 1.941 2.365 . 0 0 "[ . 1]" 1
132 1 10 LEU MD1 1 17 ASN H 5.500 . 5.500 5.312 5.052 5.521 0.021 4 0 "[ . 1]" 1
133 1 10 LEU MD2 1 18 VAL H 4.680 . 4.680 4.328 4.158 4.529 . 0 0 "[ . 1]" 1
134 1 10 LEU MD1 1 18 VAL MG2 3.310 . 3.310 1.782 1.758 1.792 0.042 7 0 "[ . 1]" 1
135 1 10 LEU MD1 1 18 VAL HB 3.560 . 3.560 1.962 1.898 2.038 . 0 0 "[ . 1]" 1
136 1 10 LEU MD2 1 18 VAL MG2 3.060 . 3.060 1.929 1.798 2.114 0.002 5 0 "[ . 1]" 1
137 1 10 LEU MD2 1 18 VAL MG1 3.460 . 3.460 3.235 2.916 3.473 0.013 1 0 "[ . 1]" 1
138 1 10 LEU MD2 1 77 VAL H 4.410 . 4.410 4.424 4.389 4.470 0.060 6 0 "[ . 1]" 1
139 1 10 LEU MD2 1 77 VAL HA 5.430 . 5.430 5.063 4.937 5.151 . 0 0 "[ . 1]" 1
140 1 11 SER H 1 11 SER HB2 4.200 . 4.200 2.877 2.688 3.106 . 0 0 "[ . 1]" 1
141 1 11 SER HA 1 11 SER HB2 2.980 . 2.980 2.992 2.980 3.010 0.030 6 0 "[ . 1]" 1
142 1 11 SER H 1 11 SER HB3 4.050 . 4.050 3.844 3.761 3.957 . 0 0 "[ . 1]" 1
143 1 11 SER HA 1 11 SER HB3 2.940 . 2.940 2.599 2.318 2.666 . 0 0 "[ . 1]" 1
144 1 11 SER HB2 1 12 GLY H 4.130 . 4.130 3.827 3.486 4.140 0.010 3 0 "[ . 1]" 1
145 1 11 SER HB3 1 12 GLY H 4.160 . 4.160 2.553 2.029 3.250 . 0 0 "[ . 1]" 1
146 1 11 SER H 1 14 LEU HB2 5.060 . 5.060 1.850 1.742 1.982 0.058 1 0 "[ . 1]" 1
147 1 11 SER H 1 14 LEU HB3 4.150 . 4.150 3.011 2.789 3.235 . 0 0 "[ . 1]" 1
148 1 11 SER HB2 1 14 LEU H 5.500 . 5.500 5.277 5.160 5.384 . 0 0 "[ . 1]" 1
149 1 11 SER HB2 1 14 LEU HB3 5.500 . 5.500 5.533 5.494 5.602 0.102 7 0 "[ . 1]" 1
150 1 11 SER H 1 14 LEU MD1 4.680 . 4.680 3.820 2.745 4.416 . 0 0 "[ . 1]" 1
151 1 11 SER H 1 15 GLU HA 5.200 . 5.200 4.228 4.015 4.606 . 0 0 "[ . 1]" 1
152 1 11 SER H 1 15 GLU HB3 3.950 . 3.950 3.236 2.800 3.912 . 0 0 "[ . 1]" 1
153 1 11 SER HA 1 15 GLU QG 4.100 . 4.100 3.556 2.727 4.165 0.065 7 0 "[ . 1]" 1
154 1 11 SER H 1 15 GLU HB2 4.550 . 4.550 4.363 3.936 4.580 0.030 4 0 "[ . 1]" 1
155 1 11 SER HA 1 15 GLU HB3 4.360 . 4.360 2.598 2.413 2.943 . 0 0 "[ . 1]" 1
156 1 11 SER HA 1 15 GLU HB2 3.900 . 3.900 3.760 3.379 3.925 0.025 1 0 "[ . 1]" 1
157 1 12 GLY HA2 1 14 LEU H 5.500 . 5.500 4.569 4.368 4.788 . 0 0 "[ . 1]" 1
158 1 12 GLY HA3 1 14 LEU H 5.500 . 5.500 3.557 3.443 3.642 . 0 0 "[ . 1]" 1
159 1 13 GLN HA 1 13 GLN QG 3.290 . 3.290 2.239 2.074 2.775 . 0 0 "[ . 1]" 1
160 1 13 GLN QG 1 14 LEU H 5.500 . 5.500 4.507 4.368 4.692 . 0 0 "[ . 1]" 1
161 1 13 GLN HB3 1 14 LEU H 4.100 . 4.100 3.366 2.879 3.835 . 0 0 "[ . 1]" 1
162 1 13 GLN HB2 1 14 LEU H 3.950 . 3.950 3.637 3.024 3.953 0.003 7 0 "[ . 1]" 1
163 1 13 GLN HA 1 14 LEU MD2 4.960 . 4.960 4.388 4.214 4.590 . 0 0 "[ . 1]" 1
164 1 13 GLN HA 1 15 GLU H . . 4.900 4.669 4.522 4.855 . 0 0 "[ . 1]" 1
165 1 13 GLN QG 1 16 LYS QB 4.300 . 4.300 3.651 3.032 4.170 . 0 0 "[ . 1]" 1
166 1 13 GLN HB2 1 16 LYS HG3 5.500 . 5.500 4.618 4.305 4.904 . 0 0 "[ . 1]" 1
167 1 13 GLN HA 1 16 LYS H 3.550 . 3.550 3.390 3.336 3.485 . 0 0 "[ . 1]" 1
168 1 13 GLN HA 1 16 LYS QB 2.970 . 2.970 2.851 2.430 3.048 0.078 10 0 "[ . 1]" 1
169 1 13 GLN HA 1 17 ASN H 4.380 . 4.380 3.828 3.590 4.101 . 0 0 "[ . 1]" 1
170 1 14 LEU H 1 14 LEU HB3 3.520 . 3.520 3.553 3.538 3.594 0.074 1 0 "[ . 1]" 1
171 1 14 LEU H 1 14 LEU HB2 3.840 . 3.840 2.441 2.278 2.770 . 0 0 "[ . 1]" 1
172 1 14 LEU H 1 14 LEU HG 4.130 . 4.130 3.062 2.104 3.745 . 0 0 "[ . 1]" 1
173 1 14 LEU HA 1 14 LEU HG 3.520 . 3.520 3.648 3.550 3.698 0.178 8 0 "[ . 1]" 1
174 1 14 LEU HB3 1 14 LEU MD1 3.140 . 3.140 2.138 2.055 2.214 . 0 0 "[ . 1]" 1
175 1 14 LEU H 1 14 LEU MD1 5.100 . 5.100 3.919 3.694 4.065 . 0 0 "[ . 1]" 1
176 1 14 LEU H 1 14 LEU MD2 3.190 . 3.190 2.152 1.909 2.589 . 0 0 "[ . 1]" 1
177 1 14 LEU HB3 1 14 LEU MD2 3.330 . 3.330 2.947 2.572 3.161 . 0 0 "[ . 1]" 1
178 1 14 LEU HA 1 14 LEU MD2 3.220 . 3.220 1.980 1.790 2.095 0.010 1 0 "[ . 1]" 1
179 1 14 LEU HA 1 14 LEU MD1 3.820 . 3.820 2.897 2.319 3.748 . 0 0 "[ . 1]" 1
180 1 14 LEU H 1 15 GLU H . . 3.300 2.736 2.454 2.938 . 0 0 "[ . 1]" 1
181 1 14 LEU HB3 1 15 GLU H 3.750 . 3.750 3.267 3.057 3.498 . 0 0 "[ . 1]" 1
182 1 14 LEU HB2 1 15 GLU H 4.190 . 4.190 2.309 2.030 2.539 . 0 0 "[ . 1]" 1
183 1 14 LEU HG 1 15 GLU H 5.180 . 5.180 4.343 3.644 4.807 . 0 0 "[ . 1]" 1
184 1 14 LEU MD2 1 15 GLU H 4.360 . 4.360 4.084 3.981 4.238 . 0 0 "[ . 1]" 1
185 1 14 LEU H 1 16 LYS HG3 4.140 . 4.140 4.174 4.154 4.194 0.054 6 0 "[ . 1]" 1
186 1 14 LEU H 1 17 ASN H 5.190 . 5.190 4.557 4.464 4.730 . 0 0 "[ . 1]" 1
187 1 14 LEU MD2 1 17 ASN H 4.690 . 4.690 4.725 4.698 4.762 0.072 6 0 "[ . 1]" 1
188 1 14 LEU HA 1 17 ASN HB2 4.060 . 4.060 2.991 2.900 3.161 . 0 0 "[ . 1]" 1
189 1 14 LEU MD2 1 17 ASN HB2 3.980 . 3.980 4.012 3.943 4.055 0.075 2 0 "[ . 1]" 1
190 1 14 LEU HA 1 17 ASN HB3 4.280 . 4.280 3.647 3.445 3.890 . 0 0 "[ . 1]" 1
191 1 14 LEU HB3 1 48 LEU MD2 3.610 . 3.610 2.637 2.610 2.691 . 0 0 "[ . 1]" 1
192 1 14 LEU HB2 1 48 LEU MD2 3.900 . 3.900 4.009 3.946 4.034 0.134 1 0 "[ . 1]" 1
193 1 14 LEU MD2 1 48 LEU HA 5.500 . 5.500 4.180 3.780 4.364 . 0 0 "[ . 1]" 1
194 1 14 LEU MD2 1 48 LEU MD2 3.410 . 3.410 3.433 3.213 3.518 0.108 4 0 "[ . 1]" 1
195 1 14 LEU HB2 1 51 LEU HB2 5.240 . 5.240 5.281 5.141 5.375 0.135 7 0 "[ . 1]" 1
196 1 14 LEU MD1 1 51 LEU HB3 5.340 . 5.340 3.890 3.036 5.358 0.018 6 0 "[ . 1]" 1
197 1 14 LEU MD1 1 51 LEU HB2 5.500 . 5.500 2.699 1.986 3.937 . 0 0 "[ . 1]" 1
198 1 14 LEU HA 1 51 LEU MD1 5.500 . 5.500 2.114 1.854 2.505 . 0 0 "[ . 1]" 1
199 1 14 LEU MD1 1 52 GLY HA2 5.310 . 5.310 5.394 5.367 5.444 0.134 6 0 "[ . 1]" 1
200 1 14 LEU MD1 1 52 GLY HA3 5.500 . 5.500 4.113 3.884 4.314 . 0 0 "[ . 1]" 1
201 1 14 LEU MD2 1 53 TYR HB2 5.500 . 5.500 5.257 4.436 5.526 0.026 5 0 "[ . 1]" 1
202 1 14 LEU HG 1 53 TYR QE 4.420 . 4.420 3.299 2.299 4.482 0.062 6 0 "[ . 1]" 1
203 1 14 LEU MD1 1 53 TYR QE 3.470 . 3.470 2.002 1.795 2.788 0.005 5 0 "[ . 1]" 1
204 1 14 LEU MD2 1 53 TYR QE 3.480 . 3.480 3.580 3.471 3.652 0.172 10 0 "[ . 1]" 1
205 1 15 GLU H 1 15 GLU HB3 3.180 . 3.180 2.213 2.053 2.407 . 0 0 "[ . 1]" 1
206 1 15 GLU H 1 15 GLU QG 3.910 . 3.910 3.017 2.264 3.972 0.062 6 0 "[ . 1]" 1
207 1 15 GLU HA 1 15 GLU QG 3.320 . 3.320 3.244 2.897 3.389 0.069 9 0 "[ . 1]" 1
208 1 15 GLU H 1 15 GLU HB2 3.470 . 3.470 3.339 2.927 3.556 0.086 10 0 "[ . 1]" 1
209 1 15 GLU QG 1 16 LYS H 4.040 . 4.040 2.658 2.236 3.686 . 0 0 "[ . 1]" 1
210 1 15 GLU QG 1 16 LYS HA 4.750 . 4.750 3.237 3.037 3.686 . 0 0 "[ . 1]" 1
211 1 15 GLU H 1 16 LYS QB 5.500 . 5.500 4.892 4.534 5.106 . 0 0 "[ . 1]" 1
212 1 15 GLU HB2 1 16 LYS H 4.160 . 4.160 4.111 4.006 4.204 0.044 8 0 "[ . 1]" 1
213 1 15 GLU H 1 17 ASN H . . 4.700 4.365 4.199 4.543 . 0 0 "[ . 1]" 1
214 1 15 GLU HA 1 17 ASN H . . 4.900 4.681 4.495 4.901 0.001 3 0 "[ . 1]" 1
215 1 15 GLU HA 1 18 VAL HB 3.540 . 3.540 3.013 2.870 3.155 . 0 0 "[ . 1]" 1
216 1 15 GLU HA 1 18 VAL H . . 3.900 3.773 3.657 3.878 . 0 0 "[ . 1]" 1
217 1 15 GLU HA 1 19 ARG H 4.590 . 4.590 4.082 3.968 4.268 . 0 0 "[ . 1]" 1
218 1 15 GLU QG 1 19 ARG H 5.130 . 5.130 4.855 4.333 5.071 . 0 0 "[ . 1]" 1
219 1 16 LYS H 1 16 LYS HG2 3.890 . 3.890 2.808 2.157 3.630 . 0 0 "[ . 1]" 1
220 1 16 LYS H 1 16 LYS QB 3.030 . 3.030 2.609 2.325 2.738 . 0 0 "[ . 1]" 1
221 1 16 LYS H 1 16 LYS QD 4.760 . 4.760 3.915 3.817 4.038 . 0 0 "[ . 1]" 1
222 1 16 LYS H 1 16 LYS HG3 3.950 . 3.950 2.279 1.972 2.601 . 0 0 "[ . 1]" 1
223 1 16 LYS HA 1 16 LYS HG3 3.920 . 3.920 3.658 3.502 3.801 . 0 0 "[ . 1]" 1
224 1 16 LYS H 1 17 ASN H . . 3.300 2.611 2.509 2.684 . 0 0 "[ . 1]" 1
225 1 16 LYS QE 1 17 ASN H 5.170 . 5.170 4.868 4.133 5.176 0.006 8 0 "[ . 1]" 1
226 1 16 LYS QB 1 17 ASN H 3.420 . 3.420 2.666 2.272 3.404 . 0 0 "[ . 1]" 1
227 1 16 LYS HG3 1 17 ASN H 5.430 . 5.430 3.132 1.888 3.891 . 0 0 "[ . 1]" 1
228 1 16 LYS HG3 1 17 ASN HB2 5.500 . 5.500 4.671 3.140 5.495 . 0 0 "[ . 1]" 1
229 1 16 LYS HG2 1 17 ASN H 5.160 . 5.160 4.157 3.594 4.524 . 0 0 "[ . 1]" 1
230 1 16 LYS QB 1 17 ASN HA 5.220 . 5.220 3.987 3.714 4.565 . 0 0 "[ . 1]" 1
231 1 17 ASN H 1 17 ASN HB3 3.200 . 3.200 3.154 3.074 3.237 0.037 10 0 "[ . 1]" 1
232 1 17 ASN H 1 17 ASN HB2 3.240 . 3.240 2.091 2.062 2.126 . 0 0 "[ . 1]" 1
233 1 17 ASN H 1 18 VAL H . . 3.300 2.793 2.677 2.889 . 0 0 "[ . 1]" 1
234 1 17 ASN HB3 1 18 VAL H 3.830 . 3.830 2.579 2.382 2.796 . 0 0 "[ . 1]" 1
235 1 17 ASN HB2 1 18 VAL H 3.860 . 3.860 3.214 3.083 3.345 . 0 0 "[ . 1]" 1
236 1 17 ASN H 1 18 VAL MG2 5.240 . 5.240 4.176 4.033 4.325 . 0 0 "[ . 1]" 1
237 1 17 ASN HA 1 19 ARG H . . 4.900 4.386 4.199 4.635 . 0 0 "[ . 1]" 1
238 1 17 ASN HA 1 20 ALA H 3.820 . 3.820 3.550 3.438 3.683 . 0 0 "[ . 1]" 1
239 1 17 ASN HB3 1 20 ALA MB 5.500 . 5.500 4.906 4.707 5.047 . 0 0 "[ . 1]" 1
240 1 17 ASN H 1 20 ALA MB 5.500 . 5.500 4.996 4.869 5.082 . 0 0 "[ . 1]" 1
241 1 17 ASN HA 1 20 ALA MB 3.390 . 3.390 2.886 2.712 3.064 . 0 0 "[ . 1]" 1
242 1 17 ASN HA 1 21 GLN HE22 5.120 . 5.120 4.208 3.703 5.124 0.004 1 0 "[ . 1]" 1
243 1 17 ASN HA 1 21 GLN H . . 4.700 4.505 4.410 4.562 . 0 0 "[ . 1]" 1
244 1 18 VAL H 1 18 VAL HB 3.100 . 3.100 2.643 2.597 2.700 . 0 0 "[ . 1]" 1
245 1 18 VAL H 1 18 VAL MG2 3.250 . 3.250 2.108 1.981 2.184 . 0 0 "[ . 1]" 1
246 1 18 VAL HA 1 18 VAL MG2 3.020 . 3.020 2.382 2.311 2.463 . 0 0 "[ . 1]" 1
247 1 18 VAL H 1 18 VAL MG1 4.110 . 4.110 3.763 3.755 3.768 . 0 0 "[ . 1]" 1
248 1 18 VAL HA 1 18 VAL MG1 3.140 . 3.140 2.289 2.197 2.348 . 0 0 "[ . 1]" 1
249 1 18 VAL MG2 1 19 ARG H 4.400 . 4.400 3.757 3.637 3.850 . 0 0 "[ . 1]" 1
250 1 18 VAL MG1 1 19 ARG H 4.290 . 4.290 3.607 3.486 3.738 . 0 0 "[ . 1]" 1
251 1 18 VAL HA 1 21 GLN H . . 3.900 3.290 3.221 3.385 . 0 0 "[ . 1]" 1
252 1 18 VAL HA 1 21 GLN HG3 5.400 . 5.400 4.212 3.060 4.931 . 0 0 "[ . 1]" 1
253 1 18 VAL HA 1 21 GLN HB3 4.730 . 4.730 4.183 3.900 4.485 . 0 0 "[ . 1]" 1
254 1 18 VAL HA 1 21 GLN HB2 3.830 . 3.830 2.599 2.298 3.012 . 0 0 "[ . 1]" 1
255 1 18 VAL HA 1 22 LEU HG 5.500 . 5.500 4.233 3.987 4.439 . 0 0 "[ . 1]" 1
256 1 19 ARG H 1 19 ARG QB 3.410 . 3.410 2.141 2.049 2.200 . 0 0 "[ . 1]" 1
257 1 19 ARG HA 1 19 ARG QD 3.940 . 3.940 3.157 1.989 3.946 0.006 10 0 "[ . 1]" 1
258 1 19 ARG H 1 20 ALA MB 4.770 . 4.770 4.357 4.275 4.500 . 0 0 "[ . 1]" 1
259 1 19 ARG HA 1 20 ALA MB 5.410 . 5.410 5.021 5.004 5.031 . 0 0 "[ . 1]" 1
260 1 19 ARG HA 1 22 LEU HB3 3.850 . 3.850 3.853 3.782 3.882 0.032 7 0 "[ . 1]" 1
261 1 19 ARG HA 1 22 LEU HG 3.620 . 3.620 2.181 1.973 2.290 . 0 0 "[ . 1]" 1
262 1 19 ARG HA 1 22 LEU MD2 3.860 . 3.860 3.839 3.664 3.891 0.031 6 0 "[ . 1]" 1
263 1 19 ARG HA 1 22 LEU H 3.870 . 3.870 3.316 3.154 3.427 . 0 0 "[ . 1]" 1
264 1 19 ARG HA 1 22 LEU HB2 2.880 . 2.880 2.420 2.315 2.491 . 0 0 "[ . 1]" 1
265 1 20 ALA H 1 20 ALA MB 2.890 . 2.890 2.096 2.080 2.124 . 0 0 "[ . 1]" 1
266 1 20 ALA H 1 21 GLN H . . 3.300 2.707 2.645 2.777 . 0 0 "[ . 1]" 1
267 1 20 ALA MB 1 21 GLN H 3.420 . 3.420 2.543 2.370 2.658 . 0 0 "[ . 1]" 1
268 1 20 ALA MB 1 21 GLN HG3 5.490 . 5.490 3.911 2.956 4.805 . 0 0 "[ . 1]" 1
269 1 20 ALA H 1 22 LEU H . . 4.700 3.930 3.809 4.117 . 0 0 "[ . 1]" 1
270 1 20 ALA H 1 22 LEU HG 5.500 . 5.500 4.864 4.608 5.010 . 0 0 "[ . 1]" 1
271 1 20 ALA MB 1 22 LEU H 5.500 . 5.500 4.370 4.252 4.517 . 0 0 "[ . 1]" 1
272 1 20 ALA MB 1 23 SER QB 5.420 . 5.420 4.306 4.114 4.829 . 0 0 "[ . 1]" 1
273 1 20 ALA MB 1 24 THR H 5.500 . 5.500 4.825 4.771 4.893 . 0 0 "[ . 1]" 1
274 1 20 ALA MB 1 24 THR MG 4.370 . 4.370 3.979 3.055 4.382 0.012 1 0 "[ . 1]" 1
275 1 21 GLN H 1 21 GLN HG2 4.180 . 4.180 3.578 1.921 4.180 . 0 0 "[ . 1]" 1
276 1 21 GLN H 1 21 GLN HG3 3.380 . 3.380 3.063 2.275 3.481 0.101 1 0 "[ . 1]" 1
277 1 21 GLN HE22 1 21 GLN HG2 3.660 . 3.660 3.610 3.519 3.751 0.091 2 0 "[ . 1]" 1
278 1 21 GLN H 1 21 GLN HB3 3.600 . 3.600 3.563 3.530 3.597 . 0 0 "[ . 1]" 1
279 1 21 GLN H 1 21 GLN HB2 3.480 . 3.480 2.455 2.250 2.750 . 0 0 "[ . 1]" 1
280 1 21 GLN HA 1 21 GLN HG3 3.970 . 3.970 2.648 2.182 3.814 . 0 0 "[ . 1]" 1
281 1 21 GLN HA 1 21 GLN HG2 3.980 . 3.980 3.337 3.118 3.468 . 0 0 "[ . 1]" 1
282 1 21 GLN HG3 1 22 LEU H 5.230 . 5.230 4.721 4.393 4.948 . 0 0 "[ . 1]" 1
283 1 21 GLN HB3 1 22 LEU H 4.070 . 4.070 3.688 3.455 3.995 . 0 0 "[ . 1]" 1
284 1 21 GLN HB2 1 22 LEU H 3.960 . 3.960 2.744 2.441 2.841 . 0 0 "[ . 1]" 1
285 1 21 GLN H 1 22 LEU HA 5.160 . 5.160 5.187 5.135 5.232 0.072 1 0 "[ . 1]" 1
286 1 21 GLN HA 1 23 SER H 4.460 . 4.460 4.085 3.946 4.348 . 0 0 "[ . 1]" 1
287 1 21 GLN HA 1 24 THR MG 3.730 . 3.730 2.107 1.865 3.746 0.016 3 0 "[ . 1]" 1
288 1 21 GLN HE21 1 43 ALA MB 5.500 . 5.500 4.780 3.910 5.506 0.006 3 0 "[ . 1]" 1
289 1 21 GLN HB3 1 43 ALA MB 4.390 . 4.390 2.259 1.839 2.792 . 0 0 "[ . 1]" 1
290 1 21 GLN HB2 1 43 ALA MB 5.060 . 5.060 3.545 2.806 4.132 . 0 0 "[ . 1]" 1
291 1 21 GLN HG2 1 43 ALA MB 4.970 . 4.970 3.050 2.302 4.296 . 0 0 "[ . 1]" 1
292 1 21 GLN HE21 1 44 ILE HA 4.990 . 4.990 3.612 2.053 5.013 0.023 2 0 "[ . 1]" 1
293 1 21 GLN HG2 1 47 GLY H 4.270 . 4.270 3.840 3.357 4.317 0.047 1 0 "[ . 1]" 1
294 1 21 GLN HG3 1 47 GLY H 5.170 . 5.170 4.572 2.887 5.194 0.024 3 0 "[ . 1]" 1
295 1 21 GLN HE22 1 47 GLY H 5.360 . 5.360 4.020 3.628 4.487 . 0 0 "[ . 1]" 1
296 1 21 GLN HG2 1 47 GLY HA2 5.180 . 5.180 5.160 5.034 5.207 0.027 10 0 "[ . 1]" 1
297 1 21 GLN HG3 1 47 GLY HA3 4.620 . 4.620 4.249 3.003 4.629 0.009 9 0 "[ . 1]" 1
298 1 21 GLN HG2 1 47 GLY HA3 4.820 . 4.820 3.837 3.465 4.031 . 0 0 "[ . 1]" 1
299 1 21 GLN HB2 1 47 GLY HA3 5.500 . 5.500 5.296 4.914 5.508 0.008 2 0 "[ . 1]" 1
300 1 22 LEU H 1 22 LEU HB2 3.710 . 3.710 2.452 2.386 2.533 . 0 0 "[ . 1]" 1
301 1 22 LEU H 1 22 LEU HB3 3.650 . 3.650 3.579 3.570 3.591 . 0 0 "[ . 1]" 1
302 1 22 LEU H 1 22 LEU HG 3.840 . 3.840 2.698 2.623 2.833 . 0 0 "[ . 1]" 1
303 1 22 LEU H 1 22 LEU MD2 4.010 . 4.010 2.418 2.131 2.754 . 0 0 "[ . 1]" 1
304 1 22 LEU HA 1 22 LEU MD2 4.210 . 4.210 1.899 1.863 1.953 . 0 0 "[ . 1]" 1
305 1 22 LEU HB2 1 22 LEU MD2 3.270 . 3.270 3.099 3.061 3.136 . 0 0 "[ . 1]" 1
306 1 22 LEU H 1 22 LEU MD1 4.110 . 4.110 4.029 3.964 4.099 . 0 0 "[ . 1]" 1
307 1 22 LEU HA 1 22 LEU MD1 3.390 . 3.390 3.453 3.396 3.529 0.139 6 0 "[ . 1]" 1
308 1 22 LEU MD1 1 23 SER H 4.970 . 4.970 4.903 4.770 4.984 0.014 3 0 "[ . 1]" 1
309 1 22 LEU MD2 1 23 SER H 4.840 . 4.840 4.283 4.148 4.417 . 0 0 "[ . 1]" 1
310 1 22 LEU HB2 1 23 SER H 4.160 . 4.160 2.721 2.531 2.826 . 0 0 "[ . 1]" 1
311 1 22 LEU HB3 1 23 SER H 4.530 . 4.530 3.660 3.508 3.827 . 0 0 "[ . 1]" 1
312 1 22 LEU H 1 23 SER HA 5.380 . 5.380 5.303 5.253 5.388 0.008 1 0 "[ . 1]" 1
313 1 22 LEU HB2 1 23 SER HA 5.500 . 5.500 4.426 4.321 4.494 . 0 0 "[ . 1]" 1
314 1 22 LEU H 1 24 THR H . . 4.700 3.974 3.789 4.191 . 0 0 "[ . 1]" 1
315 1 22 LEU MD2 1 25 ILE HG13 3.840 . 3.840 3.469 3.256 3.768 . 0 0 "[ . 1]" 1
316 1 22 LEU HA 1 25 ILE HG13 3.540 . 3.540 2.559 1.968 3.541 0.001 2 0 "[ . 1]" 1
317 1 22 LEU HA 1 25 ILE HG12 3.550 . 3.550 2.804 2.124 3.555 0.005 1 0 "[ . 1]" 1
318 1 22 LEU MD2 1 44 ILE HG12 4.080 . 4.080 2.965 2.236 3.830 . 0 0 "[ . 1]" 1
319 1 23 SER H 1 23 SER QB 2.940 . 2.940 2.262 2.155 2.451 . 0 0 "[ . 1]" 1
320 1 23 SER HA 1 23 SER QB 2.800 . 2.800 2.434 2.184 2.504 . 0 0 "[ . 1]" 1
321 1 23 SER H 1 24 THR MG 5.500 . 5.500 4.142 3.572 4.863 . 0 0 "[ . 1]" 1
322 1 23 SER QB 1 24 THR H 4.570 . 4.570 3.007 2.754 3.487 . 0 0 "[ . 1]" 1
323 1 24 THR HA 1 24 THR MG 3.180 . 3.180 2.875 2.063 3.207 0.027 4 0 "[ . 1]" 1
324 1 24 THR H 1 24 THR MG 3.380 . 3.380 2.534 2.263 3.184 . 0 0 "[ . 1]" 1
325 1 24 THR H 1 25 ILE HG13 5.500 . 5.500 4.435 3.590 5.579 0.079 10 0 "[ . 1]" 1
326 1 25 ILE H 1 25 ILE HB 3.240 . 3.240 2.634 2.505 2.747 . 0 0 "[ . 1]" 1
327 1 25 ILE H 1 25 ILE HG12 3.770 . 3.770 2.710 2.230 3.196 . 0 0 "[ . 1]" 1
328 1 25 ILE H 1 25 ILE HG13 3.890 . 3.890 2.693 1.914 3.836 . 0 0 "[ . 1]" 1
329 1 25 ILE HA 1 25 ILE HG13 4.030 . 4.030 3.355 3.104 3.618 . 0 0 "[ . 1]" 1
330 1 25 ILE HA 1 25 ILE HG12 4.090 . 4.090 2.838 2.454 3.481 . 0 0 "[ . 1]" 1
331 1 25 ILE HG12 1 25 ILE MG 3.750 . 3.750 2.756 2.476 3.164 . 0 0 "[ . 1]" 1
332 1 25 ILE H 1 25 ILE MG 4.490 . 4.490 3.769 3.764 3.778 . 0 0 "[ . 1]" 1
333 1 25 ILE HA 1 25 ILE MG 3.260 . 3.260 2.352 2.294 2.476 . 0 0 "[ . 1]" 1
334 1 25 ILE H 1 25 ILE MD 4.880 . 4.880 3.181 2.347 3.662 . 0 0 "[ . 1]" 1
335 1 25 ILE HA 1 25 ILE MD 3.670 . 3.670 3.039 1.901 3.767 0.097 3 0 "[ . 1]" 1
336 1 25 ILE H 1 26 GLU H 5.250 . 5.250 4.641 4.631 4.652 . 0 0 "[ . 1]" 1
337 1 25 ILE HB 1 26 GLU HA 5.500 . 5.500 5.143 5.042 5.337 . 0 0 "[ . 1]" 1
338 1 25 ILE HA 1 26 GLU QG 4.360 . 4.360 3.552 3.445 4.088 . 0 0 "[ . 1]" 1
339 1 25 ILE HG13 1 26 GLU H 5.230 . 5.230 4.786 4.469 4.967 . 0 0 "[ . 1]" 1
340 1 25 ILE HA 1 26 GLU HA 4.300 . 4.300 4.309 4.302 4.315 0.015 4 0 "[ . 1]" 1
341 1 25 ILE HA 1 26 GLU H 2.890 . 2.890 2.374 2.350 2.391 . 0 0 "[ . 1]" 1
342 1 25 ILE MG 1 26 GLU H 3.740 . 3.740 1.839 1.828 1.859 . 0 0 "[ . 1]" 1
343 1 25 ILE MG 1 26 GLU QG 5.500 . 5.500 3.065 2.142 3.261 . 0 0 "[ . 1]" 1
344 1 25 ILE MD 1 26 GLU H 4.810 . 4.810 4.043 3.291 4.401 . 0 0 "[ . 1]" 1
345 1 25 ILE HA 1 27 SER H 4.720 . 4.720 3.922 3.903 3.961 . 0 0 "[ . 1]" 1
346 1 25 ILE MG 1 27 SER HA 5.360 . 5.360 3.771 3.626 3.855 . 0 0 "[ . 1]" 1
347 1 25 ILE MG 1 27 SER HB2 5.500 . 5.500 3.870 2.580 4.346 . 0 0 "[ . 1]" 1
348 1 25 ILE MG 1 36 PHE QE 3.980 . 3.980 2.264 2.093 2.494 . 0 0 "[ . 1]" 1
349 1 25 ILE MG 1 36 PHE HZ 3.560 . 3.560 2.150 1.942 2.326 . 0 0 "[ . 1]" 1
350 1 25 ILE HB 1 40 VAL MG2 5.500 . 5.500 3.976 3.661 4.174 . 0 0 "[ . 1]" 1
351 1 25 ILE HG12 1 40 VAL HB 5.500 . 5.500 5.562 5.524 5.615 0.115 8 0 "[ . 1]" 1
352 1 25 ILE HG12 1 40 VAL MG1 3.720 . 3.720 2.890 2.751 3.474 . 0 0 "[ . 1]" 1
353 1 25 ILE MD 1 40 VAL MG1 3.320 . 3.320 2.018 1.744 2.758 0.056 3 0 "[ . 1]" 1
354 1 25 ILE MG 1 40 VAL MG2 3.930 . 3.930 1.774 1.708 1.875 0.092 8 0 "[ . 1]" 1
355 1 25 ILE MD 1 40 VAL MG2 3.770 . 3.770 2.479 2.022 3.245 . 0 0 "[ . 1]" 1
356 1 25 ILE MD 1 40 VAL HA 3.530 . 3.530 2.836 1.821 3.539 0.009 3 0 "[ . 1]" 1
357 1 26 GLU H 1 26 GLU QG 3.520 . 3.520 2.014 1.953 2.147 . 0 0 "[ . 1]" 1
358 1 26 GLU HA 1 26 GLU QG 3.390 . 3.390 2.716 2.509 3.372 . 0 0 "[ . 1]" 1
359 1 26 GLU HB3 1 26 GLU QG 2.720 . 2.720 2.484 2.391 2.524 . 0 0 "[ . 1]" 1
360 1 26 GLU H 1 26 GLU HB2 3.480 . 3.480 2.726 2.619 3.539 0.059 5 0 "[ . 1]" 1
361 1 26 GLU HA 1 26 GLU HB3 3.020 . 3.020 2.383 2.301 2.399 . 0 0 "[ . 1]" 1
362 1 26 GLU HB3 1 27 SER H 4.380 . 4.380 4.402 4.386 4.496 0.116 5 0 "[ . 1]" 1
363 1 26 GLU QG 1 27 SER H 4.220 . 4.220 4.107 3.013 4.233 0.013 10 0 "[ . 1]" 1
364 1 26 GLU HB3 1 28 ASP H 4.740 . 4.740 4.424 4.285 4.864 0.124 5 0 "[ . 1]" 1
365 1 26 GLU HB2 1 28 ASP H 5.500 . 5.500 4.631 4.030 4.742 . 0 0 "[ . 1]" 1
366 1 26 GLU HA 1 28 ASP H 3.880 . 3.880 3.031 2.967 3.053 . 0 0 "[ . 1]" 1
367 1 26 GLU QG 1 30 VAL MG1 4.590 . 4.590 4.167 3.445 4.460 . 0 0 "[ . 1]" 1
368 1 26 GLU QG 1 30 VAL MG2 5.500 . 5.500 3.666 2.185 3.929 . 0 0 "[ . 1]" 1
369 1 27 SER H 1 27 SER HB3 3.680 . 3.680 3.152 2.954 3.413 . 0 0 "[ . 1]" 1
370 1 27 SER H 1 27 SER HB2 3.710 . 3.710 3.080 2.136 3.483 . 0 0 "[ . 1]" 1
371 1 27 SER H 1 28 ASP H 2.970 . 2.970 2.950 2.884 3.007 0.037 5 0 "[ . 1]" 1
372 1 27 SER HB2 1 28 ASP H 4.470 . 4.470 4.057 3.870 4.246 . 0 0 "[ . 1]" 1
373 1 27 SER H 1 28 ASP QB 4.740 . 4.740 4.638 4.468 4.789 0.049 10 0 "[ . 1]" 1
374 1 27 SER HB3 1 28 ASP H 4.970 . 4.970 4.458 3.596 4.656 . 0 0 "[ . 1]" 1
375 1 27 SER HA 1 28 ASP H 3.480 . 3.480 3.202 3.186 3.299 . 0 0 "[ . 1]" 1
376 1 27 SER HA 1 30 VAL MG1 3.900 . 3.900 3.933 3.910 3.973 0.073 10 0 "[ . 1]" 1
377 1 27 SER H 1 30 VAL MG2 4.110 . 4.110 4.098 3.991 4.133 0.023 1 0 "[ . 1]" 1
378 1 27 SER HA 1 30 VAL MG2 4.130 . 4.130 2.920 2.822 3.029 . 0 0 "[ . 1]" 1
379 1 27 SER HB2 1 36 PHE HZ 5.390 . 5.390 3.277 1.964 3.744 . 0 0 "[ . 1]" 1
380 1 27 SER HA 1 36 PHE HZ 4.660 . 4.660 2.404 2.288 2.518 . 0 0 "[ . 1]" 1
381 1 27 SER HB3 1 36 PHE HZ 5.320 . 5.320 2.551 1.995 3.516 . 0 0 "[ . 1]" 1
382 1 28 ASP H 1 28 ASP QB 3.180 . 3.180 2.269 2.166 2.540 . 0 0 "[ . 1]" 1
383 1 28 ASP H 1 29 GLU H 4.520 . 4.520 3.150 3.106 3.225 . 0 0 "[ . 1]" 1
384 1 28 ASP QB 1 29 GLU H 4.010 . 4.010 3.878 3.819 4.049 0.039 10 0 "[ . 1]" 1
385 1 28 ASP QB 1 29 GLU HA 5.500 . 5.500 5.375 5.246 5.551 0.051 10 0 "[ . 1]" 1
386 1 28 ASP HA 1 29 GLU H 3.060 . 3.060 2.887 2.875 2.890 . 0 0 "[ . 1]" 1
387 1 28 ASP QB 1 30 VAL MG1 5.500 . 5.500 3.495 3.295 4.153 . 0 0 "[ . 1]" 1
388 1 28 ASP H 1 30 VAL MG1 5.500 . 5.500 3.171 3.129 3.361 . 0 0 "[ . 1]" 1
389 1 28 ASP QB 1 30 VAL MG2 5.500 . 5.500 4.969 4.788 5.504 0.004 10 0 "[ . 1]" 1
390 1 29 GLU H 1 29 GLU QG 3.880 . 3.880 3.811 2.810 3.925 0.045 8 0 "[ . 1]" 1
391 1 29 GLU HA 1 29 GLU QG 3.610 . 3.610 2.138 2.039 2.614 . 0 0 "[ . 1]" 1
392 1 29 GLU H 1 29 GLU HB3 3.970 . 3.970 3.983 3.970 4.090 0.120 7 0 "[ . 1]" 1
393 1 29 GLU H 1 30 VAL MG2 5.290 . 5.290 3.833 3.763 3.917 . 0 0 "[ . 1]" 1
394 1 29 GLU HA 1 30 VAL H 2.980 . 2.980 2.390 2.353 2.449 . 0 0 "[ . 1]" 1
395 1 29 GLU QG 1 30 VAL H 5.430 . 5.430 4.141 4.040 4.516 . 0 0 "[ . 1]" 1
396 1 29 GLU HA 1 30 VAL MG2 5.500 . 5.500 4.393 4.366 4.433 . 0 0 "[ . 1]" 1
397 1 30 VAL H 1 30 VAL HB 3.920 . 3.920 3.907 3.882 3.931 0.011 10 0 "[ . 1]" 1
398 1 30 VAL H 1 30 VAL MG1 3.780 . 3.780 2.736 2.691 2.767 . 0 0 "[ . 1]" 1
399 1 30 VAL HA 1 30 VAL MG1 3.350 . 3.350 2.471 2.447 2.494 . 0 0 "[ . 1]" 1
400 1 30 VAL H 1 30 VAL MG2 3.440 . 3.440 2.310 2.263 2.365 . 0 0 "[ . 1]" 1
401 1 30 VAL MG1 1 31 THR H 4.420 . 4.420 3.635 3.625 3.650 . 0 0 "[ . 1]" 1
402 1 30 VAL HB 1 31 THR HB 5.060 . 5.060 4.560 4.222 4.826 . 0 0 "[ . 1]" 1
403 1 30 VAL HB 1 31 THR H 3.440 . 3.440 1.970 1.953 1.996 . 0 0 "[ . 1]" 1
404 1 30 VAL HA 1 31 THR HA 5.500 . 5.500 4.395 4.386 4.421 . 0 0 "[ . 1]" 1
405 1 30 VAL HA 1 31 THR H 2.950 . 2.950 2.753 2.704 2.763 . 0 0 "[ . 1]" 1
406 1 30 VAL MG2 1 31 THR HB 4.790 . 4.790 4.468 4.058 4.787 . 0 0 "[ . 1]" 1
407 1 30 VAL MG2 1 32 PRO HA 5.500 . 5.500 3.454 3.402 3.555 . 0 0 "[ . 1]" 1
408 1 30 VAL MG2 1 32 PRO HD2 5.210 . 5.210 4.420 4.251 4.802 . 0 0 "[ . 1]" 1
409 1 30 VAL HB 1 36 PHE QD 4.970 . 4.970 4.145 3.942 4.312 . 0 0 "[ . 1]" 1
410 1 30 VAL MG1 1 36 PHE QE 3.930 . 3.930 3.509 3.448 3.595 . 0 0 "[ . 1]" 1
411 1 30 VAL HA 1 36 PHE QE 5.500 . 5.500 5.578 5.561 5.604 0.104 8 0 "[ . 1]" 1
412 1 30 VAL MG2 1 36 PHE QE 4.310 . 4.310 1.808 1.796 1.825 0.004 7 0 "[ . 1]" 1
413 1 31 THR H 1 31 THR HB 3.550 . 3.550 2.734 2.459 2.985 . 0 0 "[ . 1]" 1
414 1 31 THR H 1 31 THR MG 4.360 . 4.360 2.698 1.956 3.799 . 0 0 "[ . 1]" 1
415 1 31 THR HA 1 31 THR MG 3.680 . 3.680 2.885 2.387 3.218 . 0 0 "[ . 1]" 1
416 1 31 THR HA 1 32 PRO HD3 3.350 . 3.350 2.464 1.934 2.676 . 0 0 "[ . 1]" 1
417 1 31 THR HA 1 32 PRO HD2 3.300 . 3.300 2.149 1.951 2.657 . 0 0 "[ . 1]" 1
418 1 31 THR MG 1 33 ASP HB3 5.430 . 5.430 4.618 4.214 5.038 . 0 0 "[ . 1]" 1
419 1 31 THR MG 1 33 ASP HB2 3.590 . 3.590 3.378 2.868 3.597 0.007 2 0 "[ . 1]" 1
420 1 31 THR MG 1 35 ARG HG3 5.500 . 5.500 4.788 4.328 5.462 . 0 0 "[ . 1]" 1
421 1 31 THR MG 1 35 ARG HG2 5.090 . 5.090 4.816 4.429 5.102 0.012 5 0 "[ . 1]" 1
422 1 32 PRO HA 1 33 ASP H 3.250 . 3.250 2.140 2.133 2.145 . 0 0 "[ . 1]" 1
423 1 32 PRO HB2 1 36 PHE HB3 5.500 . 5.500 4.040 3.739 4.608 . 0 0 "[ . 1]" 1
424 1 32 PRO QG 1 36 PHE HB3 5.500 . 5.500 5.089 4.710 5.202 . 0 0 "[ . 1]" 1
425 1 32 PRO HB2 1 36 PHE HB2 5.300 . 5.300 4.824 4.599 5.303 0.003 9 0 "[ . 1]" 1
426 1 32 PRO HB3 1 36 PHE QD 5.500 . 5.500 3.691 3.584 3.930 . 0 0 "[ . 1]" 1
427 1 32 PRO HA 1 36 PHE HB2 3.390 . 3.390 2.265 2.173 2.445 . 0 0 "[ . 1]" 1
428 1 32 PRO HA 1 36 PHE QE 4.770 . 4.770 4.191 4.123 4.308 . 0 0 "[ . 1]" 1
429 1 32 PRO HA 1 36 PHE QD 3.490 . 3.490 2.654 2.518 2.862 . 0 0 "[ . 1]" 1
430 1 32 PRO HA 1 36 PHE HB3 3.730 . 3.730 2.397 2.350 2.463 . 0 0 "[ . 1]" 1
431 1 32 PRO QG 1 36 PHE QD 4.890 . 4.890 4.652 3.848 4.915 0.025 6 0 "[ . 1]" 1
432 1 32 PRO HB3 1 62 LEU MD1 3.940 . 3.940 3.570 3.118 3.955 0.015 6 0 "[ . 1]" 1
433 1 32 PRO HB2 1 62 LEU MD1 4.540 . 4.540 3.645 3.215 4.290 . 0 0 "[ . 1]" 1
434 1 32 PRO HD3 1 62 LEU MD2 5.500 . 5.500 4.625 4.255 5.309 . 0 0 "[ . 1]" 1
435 1 32 PRO QG 1 62 LEU MD1 3.280 . 3.280 3.191 2.901 3.299 0.019 3 0 "[ . 1]" 1
436 1 32 PRO HA 1 62 LEU MD2 5.380 . 5.380 4.398 4.000 4.723 . 0 0 "[ . 1]" 1
437 1 33 ASP H 1 33 ASP HB3 3.770 . 3.770 3.479 3.188 3.723 . 0 0 "[ . 1]" 1
438 1 33 ASP H 1 33 ASP HB2 3.660 . 3.660 2.824 2.697 2.982 . 0 0 "[ . 1]" 1
439 1 33 ASP HB3 1 34 ARG HB3 5.210 . 5.210 4.607 4.084 5.210 . 0 0 "[ . 1]" 1
440 1 33 ASP HB2 1 35 ARG H 4.830 . 4.830 3.664 3.279 4.073 . 0 0 "[ . 1]" 1
441 1 33 ASP HB3 1 35 ARG HG3 5.280 . 5.280 3.621 2.217 4.778 . 0 0 "[ . 1]" 1
442 1 33 ASP HB3 1 35 ARG HG2 3.650 . 3.650 2.947 2.164 3.653 0.003 8 0 "[ . 1]" 1
443 1 33 ASP HA 1 35 ARG H . . 4.900 4.253 4.242 4.267 . 0 0 "[ . 1]" 1
444 1 33 ASP H 1 36 PHE QD 4.460 . 4.460 3.711 3.671 3.777 . 0 0 "[ . 1]" 1
445 1 33 ASP H 1 36 PHE HB3 4.080 . 4.080 1.908 1.857 1.975 . 0 0 "[ . 1]" 1
446 1 33 ASP H 1 36 PHE HB2 3.840 . 3.840 2.058 1.997 2.189 . 0 0 "[ . 1]" 1
447 1 33 ASP HB2 1 36 PHE H 5.500 . 5.500 3.823 3.449 4.240 . 0 0 "[ . 1]" 1
448 1 33 ASP HA 1 36 PHE HB2 5.430 . 5.430 4.953 4.891 5.078 . 0 0 "[ . 1]" 1
449 1 34 ARG HA 1 34 ARG QD 3.910 . 3.910 3.246 2.486 3.911 0.001 4 0 "[ . 1]" 1
450 1 34 ARG HB2 1 34 ARG QD 3.680 . 3.680 2.549 2.042 3.314 . 0 0 "[ . 1]" 1
451 1 34 ARG HB2 1 34 ARG QG 2.610 . 2.610 2.339 2.132 2.522 . 0 0 "[ . 1]" 1
452 1 34 ARG HA 1 35 ARG H 3.460 . 3.460 3.480 3.476 3.484 0.024 2 0 "[ . 1]" 1
453 1 34 ARG HA 1 35 ARG HA 4.940 . 4.940 4.711 4.694 4.725 . 0 0 "[ . 1]" 1
454 1 34 ARG HA 1 37 ARG H . . 3.900 3.661 3.592 3.745 . 0 0 "[ . 1]" 1
455 1 34 ARG HA 1 37 ARG HD2 5.500 . 5.500 5.377 4.333 5.516 0.016 8 0 "[ . 1]" 1
456 1 34 ARG HA 1 37 ARG HD3 4.640 . 4.640 4.063 3.737 4.644 0.004 8 0 "[ . 1]" 1
457 1 34 ARG HA 1 37 ARG HB3 4.430 . 4.430 3.602 3.447 3.687 . 0 0 "[ . 1]" 1
458 1 34 ARG HA 1 37 ARG HB2 4.540 . 4.540 2.667 2.440 2.925 . 0 0 "[ . 1]" 1
459 1 34 ARG HA 1 38 ALA MB 5.500 . 5.500 4.916 4.728 5.068 . 0 0 "[ . 1]" 1
460 1 35 ARG QD 1 35 ARG HG3 2.800 . 2.800 2.250 2.142 2.530 . 0 0 "[ . 1]" 1
461 1 35 ARG H 1 35 ARG QD 4.780 . 4.780 3.365 2.059 4.012 . 0 0 "[ . 1]" 1
462 1 35 ARG H 1 35 ARG HG3 4.060 . 4.060 2.863 1.925 3.512 . 0 0 "[ . 1]" 1
463 1 35 ARG QB 1 36 PHE HB3 5.500 . 5.500 5.544 5.527 5.559 0.059 6 0 "[ . 1]" 1
464 1 35 ARG HA 1 37 ARG HB3 5.500 . 5.500 5.555 5.539 5.569 0.069 8 0 "[ . 1]" 1
465 1 35 ARG HA 1 38 ALA MB 3.620 . 3.620 2.856 2.495 3.249 . 0 0 "[ . 1]" 1
466 1 36 PHE H 1 36 PHE HB3 3.590 . 3.590 2.567 2.528 2.616 . 0 0 "[ . 1]" 1
467 1 36 PHE H 1 36 PHE HB2 3.560 . 3.560 2.468 2.432 2.498 . 0 0 "[ . 1]" 1
468 1 36 PHE H 1 36 PHE QD 4.380 . 4.380 4.181 4.178 4.184 . 0 0 "[ . 1]" 1
469 1 36 PHE HA 1 36 PHE QD 3.460 . 3.460 3.181 3.156 3.196 . 0 0 "[ . 1]" 1
470 1 36 PHE QD 1 37 ARG H 4.500 . 4.500 3.343 3.232 3.499 . 0 0 "[ . 1]" 1
471 1 36 PHE HB3 1 37 ARG H 4.590 . 4.590 2.440 2.392 2.530 . 0 0 "[ . 1]" 1
472 1 36 PHE HB2 1 37 ARG H 3.890 . 3.890 3.717 3.673 3.750 . 0 0 "[ . 1]" 1
473 1 36 PHE QD 1 37 ARG HB2 5.500 . 5.500 4.605 4.397 4.857 . 0 0 "[ . 1]" 1
474 1 36 PHE H 1 37 ARG HB3 5.420 . 5.420 5.491 5.460 5.524 0.104 6 0 "[ . 1]" 1
475 1 36 PHE QD 1 37 ARG HG3 5.260 . 5.260 4.782 4.353 5.096 . 0 0 "[ . 1]" 1
476 1 36 PHE QE 1 37 ARG HA 4.830 . 4.830 4.635 4.477 4.844 0.014 6 0 "[ . 1]" 1
477 1 36 PHE QD 1 37 ARG HA 3.730 . 3.730 2.855 2.746 3.004 . 0 0 "[ . 1]" 1
478 1 36 PHE QD 1 39 ARG QB 5.340 . 5.340 4.180 4.014 4.308 . 0 0 "[ . 1]" 1
479 1 36 PHE HA 1 39 ARG HG2 4.520 . 4.520 4.231 3.568 4.547 0.027 6 0 "[ . 1]" 1
480 1 36 PHE HA 1 39 ARG H . . 3.900 3.509 3.302 3.629 . 0 0 "[ . 1]" 1
481 1 36 PHE HA 1 39 ARG QB 3.490 . 3.490 2.574 2.273 2.955 . 0 0 "[ . 1]" 1
482 1 36 PHE QE 1 40 VAL MG2 3.720 . 3.720 1.951 1.894 2.080 . 0 0 "[ . 1]" 1
483 1 36 PHE HA 1 40 VAL MG2 5.490 . 5.490 3.926 3.757 4.057 . 0 0 "[ . 1]" 1
484 1 36 PHE QD 1 40 VAL MG2 3.770 . 3.770 2.148 1.985 2.412 . 0 0 "[ . 1]" 1
485 1 36 PHE HZ 1 40 VAL MG2 3.630 . 3.630 3.654 3.612 3.681 0.051 8 0 "[ . 1]" 1
486 1 36 PHE QE 1 62 LEU MD2 5.500 . 5.500 5.477 5.343 5.514 0.014 4 0 "[ . 1]" 1
487 1 36 PHE QE 1 62 LEU MD1 5.500 . 5.500 5.051 4.633 5.349 . 0 0 "[ . 1]" 1
488 1 36 PHE QE 1 73 LEU MD1 3.090 . 3.090 2.962 2.580 3.107 0.017 2 0 "[ . 1]" 1
489 1 37 ARG H 1 37 ARG HD3 4.990 . 4.990 3.367 2.719 4.735 . 0 0 "[ . 1]" 1
490 1 37 ARG H 1 37 ARG HB2 3.950 . 3.950 1.988 1.977 2.025 . 0 0 "[ . 1]" 1
491 1 37 ARG H 1 37 ARG HG3 4.140 . 4.140 4.088 3.675 4.229 0.089 4 0 "[ . 1]" 1
492 1 37 ARG HB3 1 37 ARG HD2 4.180 . 4.180 3.893 3.564 4.211 0.031 8 0 "[ . 1]" 1
493 1 37 ARG HB2 1 37 ARG HD2 4.120 . 4.120 3.372 2.512 3.810 . 0 0 "[ . 1]" 1
494 1 37 ARG HA 1 37 ARG HD3 4.500 . 4.500 3.329 2.495 4.507 0.007 2 0 "[ . 1]" 1
495 1 37 ARG HB3 1 37 ARG HD3 4.030 . 4.030 3.420 2.699 3.823 . 0 0 "[ . 1]" 1
496 1 37 ARG HB2 1 37 ARG HD3 3.800 . 3.800 2.459 2.187 2.773 . 0 0 "[ . 1]" 1
497 1 37 ARG H 1 37 ARG HB3 3.810 . 3.810 3.205 3.112 3.255 . 0 0 "[ . 1]" 1
498 1 37 ARG H 1 37 ARG HG2 4.200 . 4.200 4.288 4.255 4.319 0.119 10 0 "[ . 1]" 1
499 1 37 ARG HA 1 37 ARG HG3 3.610 . 3.610 2.418 2.297 2.750 . 0 0 "[ . 1]" 1
500 1 37 ARG HB3 1 38 ALA H 3.950 . 3.950 2.605 2.311 2.891 . 0 0 "[ . 1]" 1
501 1 37 ARG HB2 1 38 ALA H 4.380 . 4.380 3.042 2.794 3.341 . 0 0 "[ . 1]" 1
502 1 37 ARG HG3 1 38 ALA H 5.500 . 5.500 4.747 4.487 5.148 . 0 0 "[ . 1]" 1
503 1 37 ARG HA 1 38 ALA H 3.610 . 3.610 3.557 3.532 3.572 . 0 0 "[ . 1]" 1
504 1 37 ARG H 1 39 ARG H . . 4.700 4.235 4.090 4.308 . 0 0 "[ . 1]" 1
505 1 37 ARG HA 1 39 ARG H 4.550 . 4.550 4.559 4.539 4.570 0.020 7 0 "[ . 1]" 1
506 1 37 ARG HA 1 40 VAL H . . 3.900 3.715 3.632 3.798 . 0 0 "[ . 1]" 1
507 1 37 ARG HA 1 40 VAL MG2 3.990 . 3.990 2.709 2.452 2.936 . 0 0 "[ . 1]" 1
508 1 37 ARG HA 1 40 VAL HB 3.450 . 3.450 3.432 3.207 3.490 0.040 8 0 "[ . 1]" 1
509 1 37 ARG HA 1 41 ASP H 4.460 . 4.460 4.130 4.023 4.257 . 0 0 "[ . 1]" 1
510 1 37 ARG HD2 1 60 PHE QD 4.400 . 4.400 3.545 3.098 3.901 . 0 0 "[ . 1]" 1
511 1 37 ARG HB2 1 60 PHE QD 4.610 . 4.610 4.648 4.624 4.667 0.057 6 0 "[ . 1]" 1
512 1 37 ARG HG2 1 60 PHE QD 5.500 . 5.500 2.965 1.922 3.613 . 0 0 "[ . 1]" 1
513 1 37 ARG HG3 1 60 PHE QD 4.780 . 4.780 2.242 1.866 3.590 . 0 0 "[ . 1]" 1
514 1 37 ARG HD2 1 62 LEU MD2 4.810 . 4.810 4.714 4.410 4.819 0.009 9 0 "[ . 1]" 1
515 1 37 ARG HD3 1 62 LEU MD2 4.760 . 4.760 4.712 4.346 4.775 0.015 6 0 "[ . 1]" 1
516 1 37 ARG HA 1 73 LEU MD1 4.400 . 4.400 4.399 4.270 4.435 0.035 6 0 "[ . 1]" 1
517 1 38 ALA H 1 38 ALA MB 2.890 . 2.890 2.173 2.099 2.234 . 0 0 "[ . 1]" 1
518 1 38 ALA H 1 39 ARG H . . 3.300 2.735 2.563 2.803 . 0 0 "[ . 1]" 1
519 1 38 ALA MB 1 39 ARG H 3.870 . 3.870 2.531 2.472 2.661 . 0 0 "[ . 1]" 1
520 1 38 ALA MB 1 41 ASP H 5.050 . 5.050 4.575 4.500 4.634 . 0 0 "[ . 1]" 1
521 1 38 ALA MB 1 41 ASP HB3 4.960 . 4.960 4.149 3.830 4.350 . 0 0 "[ . 1]" 1
522 1 38 ALA HA 1 41 ASP H 3.380 . 3.380 3.381 3.343 3.393 0.013 7 0 "[ . 1]" 1
523 1 38 ALA HA 1 41 ASP HB3 3.200 . 3.200 2.875 2.458 3.204 0.004 9 0 "[ . 1]" 1
524 1 38 ALA HA 1 41 ASP HB2 3.540 . 3.540 2.815 2.475 3.524 . 0 0 "[ . 1]" 1
525 1 39 ARG H 1 39 ARG QB 3.000 . 3.000 2.229 2.052 2.559 . 0 0 "[ . 1]" 1
526 1 39 ARG HA 1 39 ARG HD2 4.300 . 4.300 3.611 2.936 4.309 0.009 6 0 "[ . 1]" 1
527 1 39 ARG QB 1 39 ARG HD2 3.170 . 3.170 2.246 1.964 2.624 . 0 0 "[ . 1]" 1
528 1 39 ARG H 1 39 ARG HG3 3.980 . 3.980 3.475 2.906 3.982 0.002 4 0 "[ . 1]" 1
529 1 39 ARG HA 1 39 ARG HG3 3.860 . 3.860 2.645 2.061 3.821 . 0 0 "[ . 1]" 1
530 1 39 ARG H 1 39 ARG HG2 4.840 . 4.840 3.684 2.028 4.446 . 0 0 "[ . 1]" 1
531 1 39 ARG HA 1 39 ARG HG2 3.580 . 3.580 3.114 2.484 3.500 . 0 0 "[ . 1]" 1
532 1 39 ARG H 1 40 VAL MG2 4.810 . 4.810 4.071 3.947 4.187 . 0 0 "[ . 1]" 1
533 1 39 ARG QB 1 40 VAL H 3.640 . 3.640 2.566 2.463 2.746 . 0 0 "[ . 1]" 1
534 1 39 ARG HG3 1 40 VAL H 4.870 . 4.870 4.782 4.505 4.884 0.014 9 0 "[ . 1]" 1
535 1 39 ARG HA 1 40 VAL HA 4.750 . 4.750 4.750 4.726 4.770 0.020 9 0 "[ . 1]" 1
536 1 39 ARG QB 1 40 VAL MG2 4.100 . 4.100 2.984 2.910 3.060 . 0 0 "[ . 1]" 1
537 1 39 ARG H 1 41 ASP H . . 4.700 4.204 4.030 4.390 . 0 0 "[ . 1]" 1
538 1 39 ARG H 1 42 ASP HB3 5.500 . 5.500 5.531 5.513 5.547 0.047 9 0 "[ . 1]" 1
539 1 39 ARG HA 1 42 ASP HB2 3.540 . 3.540 3.542 3.487 3.560 0.020 10 0 "[ . 1]" 1
540 1 39 ARG HA 1 42 ASP HB3 3.550 . 3.550 3.207 3.122 3.357 . 0 0 "[ . 1]" 1
541 1 40 VAL H 1 40 VAL HB 3.330 . 3.330 2.735 2.618 2.863 . 0 0 "[ . 1]" 1
542 1 40 VAL H 1 40 VAL MG2 3.210 . 3.210 2.068 1.975 2.170 . 0 0 "[ . 1]" 1
543 1 40 VAL HA 1 40 VAL MG2 3.150 . 3.150 2.491 2.434 2.566 . 0 0 "[ . 1]" 1
544 1 40 VAL H 1 40 VAL MG1 4.080 . 4.080 3.757 3.735 3.772 . 0 0 "[ . 1]" 1
545 1 40 VAL HA 1 40 VAL MG1 3.370 . 3.370 2.167 2.077 2.238 . 0 0 "[ . 1]" 1
546 1 40 VAL MG1 1 41 ASP H 4.660 . 4.660 3.649 3.434 3.886 . 0 0 "[ . 1]" 1
547 1 40 VAL H 1 41 ASP HB2 5.000 . 5.000 4.582 4.442 4.990 . 0 0 "[ . 1]" 1
548 1 40 VAL HB 1 41 ASP H 3.400 . 3.400 2.475 2.308 2.670 . 0 0 "[ . 1]" 1
549 1 40 VAL HB 1 41 ASP HA 5.120 . 5.120 3.992 3.941 4.033 . 0 0 "[ . 1]" 1
550 1 40 VAL HB 1 41 ASP HB2 5.270 . 5.270 4.088 3.937 4.223 . 0 0 "[ . 1]" 1
551 1 40 VAL MG2 1 41 ASP HA 5.210 . 5.210 5.267 5.227 5.299 0.089 1 0 "[ . 1]" 1
552 1 40 VAL MG2 1 41 ASP H 4.280 . 4.280 3.539 3.461 3.603 . 0 0 "[ . 1]" 1
553 1 40 VAL MG1 1 41 ASP HA 4.810 . 4.810 3.851 3.612 4.157 . 0 0 "[ . 1]" 1
554 1 40 VAL HA 1 43 ALA MB 3.600 . 3.600 2.487 2.300 2.676 . 0 0 "[ . 1]" 1
555 1 40 VAL MG2 1 43 ALA MB 5.500 . 5.500 4.180 4.037 4.366 . 0 0 "[ . 1]" 1
556 1 40 VAL HA 1 43 ALA HA 5.500 . 5.500 5.225 4.999 5.501 0.001 3 0 "[ . 1]" 1
557 1 40 VAL HA 1 44 ILE H . . 4.700 3.927 3.526 4.067 . 0 0 "[ . 1]" 1
558 1 40 VAL HA 1 44 ILE MD 5.500 . 5.500 3.369 2.807 3.706 . 0 0 "[ . 1]" 1
559 1 40 VAL HB 1 60 PHE QE 4.850 . 4.850 2.865 2.336 3.354 . 0 0 "[ . 1]" 1
560 1 40 VAL HB 1 60 PHE HZ 4.170 . 4.170 2.736 2.515 3.304 . 0 0 "[ . 1]" 1
561 1 40 VAL MG1 1 60 PHE QE 3.470 . 3.470 2.199 1.972 2.723 . 0 0 "[ . 1]" 1
562 1 40 VAL MG1 1 60 PHE HZ 3.870 . 3.870 2.480 2.116 3.276 . 0 0 "[ . 1]" 1
563 1 41 ASP H 1 41 ASP HB3 3.180 . 3.180 2.972 2.573 3.195 0.015 9 0 "[ . 1]" 1
564 1 41 ASP H 1 41 ASP HB2 3.420 . 3.420 2.191 2.071 2.492 . 0 0 "[ . 1]" 1
565 1 41 ASP HB3 1 42 ASP H 3.460 . 3.460 2.631 2.476 2.775 . 0 0 "[ . 1]" 1
566 1 41 ASP HB2 1 42 ASP H 4.020 . 4.020 3.473 3.185 3.945 . 0 0 "[ . 1]" 1
567 1 41 ASP HA 1 44 ILE H . . 3.900 3.873 3.740 3.918 0.018 7 0 "[ . 1]" 1
568 1 41 ASP HA 1 44 ILE MD 4.220 . 4.220 2.525 2.141 4.248 0.028 8 0 "[ . 1]" 1
569 1 41 ASP HA 1 58 ILE HG12 5.500 . 5.500 5.077 4.720 5.226 . 0 0 "[ . 1]" 1
570 1 41 ASP HA 1 58 ILE MG 4.170 . 4.170 2.809 2.525 3.255 . 0 0 "[ . 1]" 1
571 1 41 ASP HB2 1 58 ILE MG 4.780 . 4.780 4.433 3.785 4.789 0.009 7 0 "[ . 1]" 1
572 1 41 ASP HB3 1 58 ILE MG 5.460 . 5.460 5.061 4.717 5.444 . 0 0 "[ . 1]" 1
573 1 41 ASP HA 1 58 ILE MD 3.660 . 3.660 3.428 3.102 3.665 0.005 9 0 "[ . 1]" 1
574 1 41 ASP H 1 60 PHE QE 4.950 . 4.950 2.560 1.988 3.391 . 0 0 "[ . 1]" 1
575 1 41 ASP H 1 60 PHE HZ 4.470 . 4.470 2.927 2.702 3.289 . 0 0 "[ . 1]" 1
576 1 41 ASP HB2 1 60 PHE QE 4.590 . 4.590 2.001 1.859 2.375 . 0 0 "[ . 1]" 1
577 1 41 ASP HA 1 60 PHE QE 4.510 . 4.510 2.853 2.554 3.213 . 0 0 "[ . 1]" 1
578 1 41 ASP HA 1 60 PHE HZ 3.620 . 3.620 1.996 1.902 2.393 . 0 0 "[ . 1]" 1
579 1 41 ASP HB2 1 60 PHE HZ 3.750 . 3.750 3.334 2.133 3.761 0.011 8 0 "[ . 1]" 1
580 1 42 ASP H 1 42 ASP HB3 3.100 . 3.100 2.772 2.713 2.863 . 0 0 "[ . 1]" 1
581 1 42 ASP H 1 42 ASP HB2 3.260 . 3.260 2.309 2.263 2.373 . 0 0 "[ . 1]" 1
582 1 42 ASP HB3 1 43 ALA H 3.640 . 3.640 2.529 2.399 2.774 . 0 0 "[ . 1]" 1
583 1 42 ASP HB2 1 43 ALA H 3.590 . 3.590 3.618 3.594 3.641 0.051 9 0 "[ . 1]" 1
584 1 42 ASP HB2 1 43 ALA HA 5.500 . 5.500 5.496 5.452 5.514 0.014 9 0 "[ . 1]" 1
585 1 42 ASP HA 1 45 ARG H . . 3.900 3.783 3.693 3.891 . 0 0 "[ . 1]" 1
586 1 42 ASP HA 1 45 ARG HB2 3.670 . 3.670 3.711 3.698 3.719 0.049 9 0 "[ . 1]" 1
587 1 42 ASP H 1 60 PHE HZ 5.190 . 5.190 4.792 4.611 5.108 . 0 0 "[ . 1]" 1
588 1 43 ALA H 1 43 ALA MB 3.050 . 3.050 2.142 2.075 2.215 . 0 0 "[ . 1]" 1
589 1 43 ALA MB 1 44 ILE HA 5.270 . 5.270 3.710 3.654 3.793 . 0 0 "[ . 1]" 1
590 1 43 ALA MB 1 44 ILE H 3.660 . 3.660 2.279 2.146 2.460 . 0 0 "[ . 1]" 1
591 1 43 ALA H 1 44 ILE MD 5.500 . 5.500 4.270 3.776 4.645 . 0 0 "[ . 1]" 1
592 1 43 ALA H 1 45 ARG H . . 4.700 4.424 4.322 4.536 . 0 0 "[ . 1]" 1
593 1 43 ALA HA 1 46 GLU H . . 3.900 3.610 3.348 3.869 . 0 0 "[ . 1]" 1
594 1 43 ALA MB 1 46 GLU H 5.460 . 5.460 4.556 4.367 4.788 . 0 0 "[ . 1]" 1
595 1 43 ALA HA 1 46 GLU HG3 4.610 . 4.610 3.678 2.849 4.384 . 0 0 "[ . 1]" 1
596 1 43 ALA HA 1 46 GLU HG2 4.600 . 4.600 3.926 2.826 4.593 . 0 0 "[ . 1]" 1
597 1 43 ALA HA 1 46 GLU HB2 3.680 . 3.680 3.049 2.581 3.748 0.068 8 0 "[ . 1]" 1
598 1 44 ILE H 1 44 ILE HG13 4.450 . 4.450 2.576 2.288 3.971 . 0 0 "[ . 1]" 1
599 1 44 ILE H 1 44 ILE HB 3.400 . 3.400 2.515 2.416 2.572 . 0 0 "[ . 1]" 1
600 1 44 ILE H 1 44 ILE HG12 3.740 . 3.740 3.736 3.356 3.802 0.062 9 0 "[ . 1]" 1
601 1 44 ILE HA 1 44 ILE HG12 4.020 . 4.020 3.177 2.924 3.684 . 0 0 "[ . 1]" 1
602 1 44 ILE HA 1 44 ILE HG13 3.030 . 3.030 2.463 2.295 2.918 . 0 0 "[ . 1]" 1
603 1 44 ILE HA 1 44 ILE MG 3.380 . 3.380 2.455 2.422 2.552 . 0 0 "[ . 1]" 1
604 1 44 ILE H 1 44 ILE MD 4.070 . 4.070 2.531 1.908 2.969 . 0 0 "[ . 1]" 1
605 1 44 ILE HA 1 44 ILE MD 4.150 . 4.150 3.536 1.941 3.824 . 0 0 "[ . 1]" 1
606 1 44 ILE HB 1 44 ILE MD 3.400 . 3.400 2.134 1.987 2.809 . 0 0 "[ . 1]" 1
607 1 44 ILE HB 1 45 ARG H 3.200 . 3.200 2.251 2.198 2.396 . 0 0 "[ . 1]" 1
608 1 44 ILE MG 1 45 ARG H 3.930 . 3.930 2.999 2.890 3.093 . 0 0 "[ . 1]" 1
609 1 44 ILE HB 1 45 ARG HB3 4.720 . 4.720 4.775 4.751 4.794 0.074 7 0 "[ . 1]" 1
610 1 44 ILE HG13 1 48 LEU HG 4.950 . 4.950 4.907 4.197 5.008 0.058 3 0 "[ . 1]" 1
611 1 44 ILE MG 1 48 LEU HB3 3.620 . 3.620 3.702 3.685 3.723 0.103 8 0 "[ . 1]" 1
612 1 44 ILE MG 1 48 LEU HG 3.820 . 3.820 1.869 1.813 2.051 . 0 0 "[ . 1]" 1
613 1 44 ILE MD 1 48 LEU HG 5.500 . 5.500 5.154 4.530 5.521 0.021 6 0 "[ . 1]" 1
614 1 44 ILE HB 1 58 ILE MD 3.150 . 3.150 1.962 1.904 2.124 . 0 0 "[ . 1]" 1
615 1 44 ILE HB 1 58 ILE MG 5.500 . 5.500 2.851 2.632 3.162 . 0 0 "[ . 1]" 1
616 1 44 ILE MG 1 58 ILE HG13 4.380 . 4.380 3.470 3.342 3.726 . 0 0 "[ . 1]" 1
617 1 44 ILE MG 1 58 ILE MG 4.790 . 4.790 2.373 2.126 2.641 . 0 0 "[ . 1]" 1
618 1 44 ILE MD 1 58 ILE MG 4.020 . 4.020 2.127 1.785 3.972 0.015 10 0 "[ . 1]" 1
619 1 44 ILE MD 1 60 PHE QE 4.650 . 4.650 2.202 1.926 3.743 . 0 0 "[ . 1]" 1
620 1 44 ILE MD 1 60 PHE HZ 4.700 . 4.700 2.238 1.846 3.576 . 0 0 "[ . 1]" 1
621 1 44 ILE HG12 1 75 ALA MB 3.990 . 3.990 3.725 3.398 4.006 0.016 7 0 "[ . 1]" 1
622 1 45 ARG H 1 45 ARG HD2 5.090 . 5.090 4.888 4.621 5.121 0.031 8 0 "[ . 1]" 1
623 1 45 ARG H 1 45 ARG HB3 3.780 . 3.780 2.600 2.459 2.655 . 0 0 "[ . 1]" 1
624 1 45 ARG H 1 45 ARG HG3 4.320 . 4.320 4.357 4.332 4.394 0.074 8 0 "[ . 1]" 1
625 1 45 ARG HB3 1 45 ARG HG2 2.810 . 2.810 2.399 2.270 2.598 . 0 0 "[ . 1]" 1
626 1 45 ARG HA 1 45 ARG HG3 3.710 . 3.710 2.507 2.417 2.774 . 0 0 "[ . 1]" 1
627 1 45 ARG HA 1 45 ARG HD2 5.310 . 5.310 4.389 3.891 4.657 . 0 0 "[ . 1]" 1
628 1 45 ARG HA 1 45 ARG HD3 5.060 . 5.060 4.663 4.296 4.857 . 0 0 "[ . 1]" 1
629 1 45 ARG HB3 1 46 GLU H 4.280 . 4.280 2.705 2.465 2.840 . 0 0 "[ . 1]" 1
630 1 45 ARG HG3 1 48 LEU HB3 5.160 . 5.160 4.867 4.701 5.176 0.016 3 0 "[ . 1]" 1
631 1 45 ARG HA 1 48 LEU HB2 5.460 . 5.460 2.059 1.999 2.161 . 0 0 "[ . 1]" 1
632 1 45 ARG HA 1 48 LEU H . . 3.900 3.539 3.439 3.623 . 0 0 "[ . 1]" 1
633 1 45 ARG HA 1 48 LEU HB3 3.180 . 3.180 3.328 3.281 3.362 0.182 2 0 "[ . 1]" 1
634 1 45 ARG HG3 1 58 ILE MD 4.780 . 4.780 3.505 3.200 3.810 . 0 0 "[ . 1]" 1
635 1 45 ARG HG2 1 58 ILE MD 4.680 . 4.680 4.523 4.186 4.692 0.012 6 0 "[ . 1]" 1
636 1 45 ARG HD3 1 58 ILE MD 5.430 . 5.430 4.660 3.887 5.234 . 0 0 "[ . 1]" 1
637 1 45 ARG HD2 1 58 ILE MD 4.730 . 4.730 4.186 3.465 4.705 . 0 0 "[ . 1]" 1
638 1 46 GLU H 1 46 GLU HB2 3.370 . 3.370 2.596 2.187 3.318 . 0 0 "[ . 1]" 1
639 1 46 GLU H 1 46 GLU HG3 3.930 . 3.930 3.693 3.221 4.057 0.127 3 0 "[ . 1]" 1
640 1 46 GLU HA 1 46 GLU HG3 3.920 . 3.920 3.556 3.299 3.729 . 0 0 "[ . 1]" 1
641 1 46 GLU HA 1 46 GLU HG2 3.950 . 3.950 2.932 2.403 3.959 0.009 3 0 "[ . 1]" 1
642 1 46 GLU H 1 46 GLU HG2 3.870 . 3.870 2.972 2.469 3.404 . 0 0 "[ . 1]" 1
643 1 46 GLU HB3 1 46 GLU HG3 2.970 . 2.970 2.740 2.486 2.975 0.005 8 0 "[ . 1]" 1
644 1 46 GLU HB3 1 47 GLY H 3.910 . 3.910 3.026 2.842 3.248 . 0 0 "[ . 1]" 1
645 1 46 GLU H 1 47 GLY H . . 3.300 2.814 2.773 2.842 . 0 0 "[ . 1]" 1
646 1 46 GLU HG3 1 47 GLY H 5.070 . 5.070 3.981 2.457 4.746 . 0 0 "[ . 1]" 1
647 1 46 GLU HG2 1 47 GLY H 5.010 . 5.010 3.803 2.004 4.669 . 0 0 "[ . 1]" 1
648 1 46 GLU HB2 1 47 GLY H 3.720 . 3.720 2.833 2.293 3.808 0.088 9 0 "[ . 1]" 1
649 1 46 GLU HA 1 49 LYS QE 4.600 . 4.600 4.606 4.436 4.656 0.056 8 0 "[ . 1]" 1
650 1 46 GLU HA 1 49 LYS HB2 3.800 . 3.800 3.575 3.383 3.806 0.006 8 0 "[ . 1]" 1
651 1 46 GLU HA 1 49 LYS QD 3.780 . 3.780 3.473 3.064 3.798 0.018 3 0 "[ . 1]" 1
652 1 46 GLU HA 1 49 LYS HG2 4.600 . 4.600 4.628 4.611 4.647 0.047 1 0 "[ . 1]" 1
653 1 46 GLU HA 1 49 LYS H 3.860 . 3.860 3.497 3.320 3.654 . 0 0 "[ . 1]" 1
654 1 46 GLU HA 1 50 ALA H . . 4.700 4.755 4.733 4.777 0.077 9 0 "[ . 1]" 1
655 1 47 GLY HA2 1 48 LEU MD2 5.500 . 5.500 5.283 5.135 5.515 0.015 6 0 "[ . 1]" 1
656 1 47 GLY HA2 1 50 ALA H . . 3.900 3.414 3.283 3.576 . 0 0 "[ . 1]" 1
657 1 47 GLY HA2 1 50 ALA MB 4.830 . 4.830 2.776 2.465 3.069 . 0 0 "[ . 1]" 1
658 1 47 GLY HA3 1 50 ALA MB 4.620 . 4.620 4.209 3.936 4.432 . 0 0 "[ . 1]" 1
659 1 48 LEU H 1 48 LEU MD2 3.980 . 3.980 3.323 3.128 3.769 . 0 0 "[ . 1]" 1
660 1 48 LEU H 1 48 LEU HB2 3.930 . 3.930 2.268 2.170 2.316 . 0 0 "[ . 1]" 1
661 1 48 LEU H 1 48 LEU HG 3.830 . 3.830 2.839 2.720 3.185 . 0 0 "[ . 1]" 1
662 1 48 LEU H 1 48 LEU MD1 4.640 . 4.640 4.047 3.995 4.110 . 0 0 "[ . 1]" 1
663 1 48 LEU HA 1 48 LEU MD1 4.230 . 4.230 3.675 3.639 3.731 . 0 0 "[ . 1]" 1
664 1 48 LEU HB2 1 48 LEU MD1 3.070 . 3.070 2.482 2.392 2.532 . 0 0 "[ . 1]" 1
665 1 48 LEU HA 1 48 LEU MD2 3.040 . 3.040 1.836 1.778 1.900 0.022 2 0 "[ . 1]" 1
666 1 48 LEU HB3 1 48 LEU MD2 3.470 . 3.470 2.562 2.455 2.622 . 0 0 "[ . 1]" 1
667 1 48 LEU MD2 1 49 LYS H 4.490 . 4.490 4.527 4.501 4.585 0.095 6 0 "[ . 1]" 1
668 1 48 LEU H 1 49 LYS H . . 3.300 2.532 2.365 2.663 . 0 0 "[ . 1]" 1
669 1 48 LEU HB3 1 49 LYS H 4.730 . 4.730 3.563 3.452 3.658 . 0 0 "[ . 1]" 1
670 1 48 LEU HB2 1 49 LYS H 4.850 . 4.850 2.869 2.701 3.144 . 0 0 "[ . 1]" 1
671 1 48 LEU MD1 1 49 LYS H 5.170 . 5.170 4.871 4.744 4.989 . 0 0 "[ . 1]" 1
672 1 48 LEU H 1 50 ALA H . . 4.700 3.927 3.808 4.012 . 0 0 "[ . 1]" 1
673 1 48 LEU MD2 1 51 LEU H 5.500 . 5.500 4.485 4.354 4.603 . 0 0 "[ . 1]" 1
674 1 48 LEU HA 1 51 LEU HB3 5.010 . 5.010 4.639 4.440 4.841 . 0 0 "[ . 1]" 1
675 1 48 LEU HA 1 51 LEU HB2 4.870 . 4.870 3.559 2.981 4.681 . 0 0 "[ . 1]" 1
676 1 48 LEU HA 1 51 LEU HG 3.540 . 3.540 3.151 2.077 3.605 0.065 9 0 "[ . 1]" 1
677 1 48 LEU HA 1 51 LEU H 3.980 . 3.980 3.387 3.276 3.474 . 0 0 "[ . 1]" 1
678 1 48 LEU HB2 1 53 TYR H 5.490 . 5.490 5.608 5.537 5.650 0.160 7 0 "[ . 1]" 1
679 1 48 LEU HB3 1 53 TYR HB2 4.150 . 4.150 2.379 2.141 2.534 . 0 0 "[ . 1]" 1
680 1 48 LEU HB3 1 53 TYR QD 5.500 . 5.500 2.443 1.796 3.369 0.004 3 0 "[ . 1]" 1
681 1 48 LEU HB2 1 53 TYR QD 5.080 . 5.080 4.018 3.413 4.772 . 0 0 "[ . 1]" 1
682 1 48 LEU HB2 1 53 TYR HB3 4.570 . 4.570 4.497 3.847 4.656 0.086 4 0 "[ . 1]" 1
683 1 48 LEU HB2 1 53 TYR HB2 4.040 . 4.040 3.745 3.659 3.817 . 0 0 "[ . 1]" 1
684 1 48 LEU HB3 1 53 TYR HB3 4.850 . 4.850 3.166 2.155 3.479 . 0 0 "[ . 1]" 1
685 1 48 LEU MD2 1 53 TYR QD 3.860 . 3.860 2.512 1.965 3.266 . 0 0 "[ . 1]" 1
686 1 48 LEU MD2 1 53 TYR HB3 5.240 . 5.240 4.656 3.023 5.211 . 0 0 "[ . 1]" 1
687 1 48 LEU MD2 1 53 TYR HB2 4.620 . 4.620 3.602 2.039 4.188 . 0 0 "[ . 1]" 1
688 1 48 LEU HA 1 53 TYR HB2 4.430 . 4.430 3.546 2.768 3.857 . 0 0 "[ . 1]" 1
689 1 48 LEU HA 1 53 TYR QD 4.430 . 4.430 3.416 2.560 4.519 0.089 6 0 "[ . 1]" 1
690 1 48 LEU HB2 1 56 PRO HB2 4.180 . 4.180 4.281 4.246 4.352 0.172 6 0 "[ . 1]" 1
691 1 48 LEU HB2 1 56 PRO HD3 5.500 . 5.500 4.649 4.547 4.917 . 0 0 "[ . 1]" 1
692 1 48 LEU HB3 1 58 ILE MD 3.710 . 3.710 3.827 3.797 3.859 0.149 1 0 "[ . 1]" 1
693 1 49 LYS H 1 49 LYS HB3 3.020 . 3.020 2.356 2.297 2.381 . 0 0 "[ . 1]" 1
694 1 49 LYS H 1 49 LYS HB2 3.390 . 3.390 2.709 2.663 2.793 . 0 0 "[ . 1]" 1
695 1 49 LYS HB3 1 49 LYS QD 2.890 . 2.890 2.503 2.296 2.668 . 0 0 "[ . 1]" 1
696 1 49 LYS H 1 49 LYS HG3 4.550 . 4.550 4.490 4.455 4.536 . 0 0 "[ . 1]" 1
697 1 49 LYS HA 1 49 LYS HG3 4.180 . 4.180 2.604 2.530 2.728 . 0 0 "[ . 1]" 1
698 1 49 LYS H 1 49 LYS HG2 4.590 . 4.590 4.344 4.271 4.375 . 0 0 "[ . 1]" 1
699 1 49 LYS HA 1 49 LYS QE 5.490 . 5.490 4.083 3.330 4.910 . 0 0 "[ . 1]" 1
700 1 49 LYS H 1 50 ALA MB 4.100 . 4.100 4.128 4.112 4.142 0.042 8 0 "[ . 1]" 1
701 1 49 LYS H 1 50 ALA H . . 3.300 2.523 2.469 2.580 . 0 0 "[ . 1]" 1
702 1 49 LYS HB3 1 50 ALA H 3.920 . 3.920 3.100 2.955 3.221 . 0 0 "[ . 1]" 1
703 1 49 LYS HG2 1 50 ALA MB 4.180 . 4.180 4.123 3.999 4.238 0.058 8 0 "[ . 1]" 1
704 1 49 LYS H 1 53 TYR H 5.500 . 5.500 4.860 4.745 4.966 . 0 0 "[ . 1]" 1
705 1 49 LYS HA 1 53 TYR HB2 5.130 . 5.130 3.108 2.408 4.106 . 0 0 "[ . 1]" 1
706 1 49 LYS HA 1 54 TYR HB2 5.500 . 5.500 5.454 5.332 5.517 0.017 2 0 "[ . 1]" 1
707 1 49 LYS HG3 1 54 TYR QD 5.110 . 5.110 3.199 2.949 3.461 . 0 0 "[ . 1]" 1
708 1 49 LYS HG3 1 54 TYR HB3 5.500 . 5.500 4.893 4.448 5.482 . 0 0 "[ . 1]" 1
709 1 49 LYS HG2 1 54 TYR QD 4.610 . 4.610 4.625 4.613 4.636 0.026 1 0 "[ . 1]" 1
710 1 49 LYS HG2 1 54 TYR HA 5.220 . 5.220 4.219 3.732 4.813 . 0 0 "[ . 1]" 1
711 1 49 LYS QE 1 54 TYR HA 3.850 . 3.850 2.930 1.957 3.904 0.054 7 0 "[ . 1]" 1
712 1 49 LYS QD 1 54 TYR QD 4.460 . 4.460 3.770 2.894 4.486 0.026 10 0 "[ . 1]" 1
713 1 49 LYS QE 1 54 TYR QE 4.000 . 4.000 4.007 3.915 4.038 0.038 1 0 "[ . 1]" 1
714 1 50 ALA H 1 50 ALA MB 2.830 . 2.830 2.181 2.091 2.340 . 0 0 "[ . 1]" 1
715 1 50 ALA H 1 51 LEU HG 3.920 . 3.920 3.321 3.060 3.477 . 0 0 "[ . 1]" 1
716 1 50 ALA MB 1 51 LEU H 4.260 . 4.260 3.302 3.287 3.322 . 0 0 "[ . 1]" 1
717 1 50 ALA MB 1 51 LEU MD1 5.070 . 5.070 4.202 3.875 4.904 . 0 0 "[ . 1]" 1
718 1 50 ALA HA 1 51 LEU HA 4.690 . 4.690 4.516 4.486 4.537 . 0 0 "[ . 1]" 1
719 1 50 ALA HA 1 51 LEU HG 4.770 . 4.770 4.661 4.493 4.891 0.121 1 0 "[ . 1]" 1
720 1 50 ALA HA 1 51 LEU MD1 5.500 . 5.500 5.561 5.545 5.587 0.087 10 0 "[ . 1]" 1
721 1 50 ALA MB 1 51 LEU HA 5.390 . 5.390 4.029 3.992 4.099 . 0 0 "[ . 1]" 1
722 1 50 ALA MB 1 52 GLY H 5.500 . 5.500 4.601 4.539 4.697 . 0 0 "[ . 1]" 1
723 1 51 LEU H 1 51 LEU HG 3.720 . 3.720 2.247 1.814 2.454 . 0 0 "[ . 1]" 1
724 1 51 LEU H 1 51 LEU HB3 4.020 . 4.020 3.622 3.267 3.780 . 0 0 "[ . 1]" 1
725 1 51 LEU H 1 51 LEU HB2 3.960 . 3.960 3.047 2.731 3.667 . 0 0 "[ . 1]" 1
726 1 51 LEU H 1 51 LEU MD2 3.950 . 3.950 3.804 3.531 3.927 . 0 0 "[ . 1]" 1
727 1 51 LEU HA 1 51 LEU HG 3.770 . 3.770 3.104 2.863 3.560 . 0 0 "[ . 1]" 1
728 1 51 LEU HB2 1 52 GLY H 4.650 . 4.650 3.960 3.749 4.336 . 0 0 "[ . 1]" 1
729 1 51 LEU HG 1 52 GLY H 4.340 . 4.340 4.298 3.885 4.462 0.122 3 0 "[ . 1]" 1
730 1 52 GLY H 1 53 TYR HB2 5.250 . 5.250 4.555 4.455 4.707 . 0 0 "[ . 1]" 1
731 1 52 GLY HA2 1 81 VAL MG1 5.500 . 5.500 5.555 5.539 5.579 0.079 5 0 "[ . 1]" 1
732 1 52 GLY HA2 1 82 LEU MD2 4.970 . 4.970 5.008 4.987 5.046 0.076 6 0 "[ . 1]" 1
733 1 52 GLY HA2 1 82 LEU MD1 3.520 . 3.520 3.412 2.913 3.538 0.018 6 0 "[ . 1]" 1
734 1 52 GLY HA3 1 82 LEU MD1 4.130 . 4.130 2.041 1.794 2.143 0.006 8 0 "[ . 1]" 1
735 1 52 GLY HA2 1 82 LEU HA 4.880 . 4.880 3.905 3.674 4.161 . 0 0 "[ . 1]" 1
736 1 52 GLY HA2 1 83 GLU H 4.470 . 4.470 2.481 2.094 3.163 . 0 0 "[ . 1]" 1
737 1 52 GLY HA3 1 83 GLU QB 5.010 . 5.010 3.651 2.662 5.018 0.008 9 0 "[ . 1]" 1
738 1 52 GLY HA2 1 83 GLU QB 5.290 . 5.290 2.700 1.972 4.132 . 0 0 "[ . 1]" 1
739 1 52 GLY HA3 1 83 GLU H 5.130 . 5.130 2.425 2.115 3.205 . 0 0 "[ . 1]" 1
740 1 52 GLY HA2 1 83 GLU QG 5.500 . 5.500 2.505 1.866 4.996 . 0 0 "[ . 1]" 1
741 1 53 TYR H 1 53 TYR QD 3.610 . 3.610 3.215 2.637 3.636 0.026 10 0 "[ . 1]" 1
742 1 53 TYR H 1 53 TYR HB3 3.830 . 3.830 3.647 3.532 3.705 . 0 0 "[ . 1]" 1
743 1 53 TYR H 1 53 TYR HB2 3.900 . 3.900 2.452 2.278 2.535 . 0 0 "[ . 1]" 1
744 1 53 TYR HA 1 53 TYR QD 3.820 . 3.820 2.232 2.010 2.513 . 0 0 "[ . 1]" 1
745 1 53 TYR QD 1 54 TYR H 5.500 . 5.500 3.794 3.409 4.445 . 0 0 "[ . 1]" 1
746 1 53 TYR H 1 54 TYR H 4.740 . 4.740 4.436 4.156 4.539 . 0 0 "[ . 1]" 1
747 1 53 TYR HB3 1 54 TYR H 4.960 . 4.960 2.576 2.239 3.900 . 0 0 "[ . 1]" 1
748 1 53 TYR HA 1 54 TYR H 3.220 . 3.220 2.424 2.192 2.493 . 0 0 "[ . 1]" 1
749 1 53 TYR HB3 1 56 PRO QG 4.070 . 4.070 1.768 1.681 1.817 0.119 6 0 "[ . 1]" 1
750 1 53 TYR HB2 1 56 PRO QG 4.080 . 4.080 2.665 2.545 2.955 . 0 0 "[ . 1]" 1
751 1 53 TYR HB3 1 79 PRO HB3 5.500 . 5.500 3.164 2.941 3.562 . 0 0 "[ . 1]" 1
752 1 53 TYR QD 1 79 PRO HB3 3.830 . 3.830 3.429 3.142 3.549 . 0 0 "[ . 1]" 1
753 1 53 TYR HA 1 79 PRO HB3 4.790 . 4.790 4.542 4.225 4.798 0.008 5 0 "[ . 1]" 1
754 1 53 TYR HB2 1 79 PRO HB3 5.500 . 5.500 4.726 4.461 5.224 . 0 0 "[ . 1]" 1
755 1 53 TYR QD 1 79 PRO HG3 4.990 . 4.990 2.909 1.919 3.358 . 0 0 "[ . 1]" 1
756 1 53 TYR QE 1 79 PRO HG2 5.090 . 5.090 2.440 2.059 2.860 . 0 0 "[ . 1]" 1
757 1 53 TYR QD 1 79 PRO HG2 3.790 . 3.790 2.942 2.600 3.270 . 0 0 "[ . 1]" 1
758 1 53 TYR QD 1 79 PRO HB2 3.950 . 3.950 3.055 2.334 3.966 0.016 9 0 "[ . 1]" 1
759 1 53 TYR QE 1 79 PRO HG3 3.300 . 3.300 3.171 2.501 3.418 0.118 4 0 "[ . 1]" 1
760 1 53 TYR QE 1 80 GLY H 4.790 . 4.790 3.646 2.775 4.824 0.034 8 0 "[ . 1]" 1
761 1 53 TYR QD 1 81 VAL H 5.380 . 5.380 4.278 3.570 5.437 0.057 6 0 "[ . 1]" 1
762 1 53 TYR HA 1 81 VAL MG1 5.500 . 5.500 3.767 3.311 4.103 . 0 0 "[ . 1]" 1
763 1 53 TYR QE 1 82 LEU HB3 4.200 . 4.200 4.097 3.626 4.235 0.035 6 0 "[ . 1]" 1
764 1 53 TYR QE 1 82 LEU HB2 3.970 . 3.970 2.483 1.986 2.718 . 0 0 "[ . 1]" 1
765 1 53 TYR QE 1 82 LEU MD2 3.940 . 3.940 3.436 1.842 3.950 0.010 3 0 "[ . 1]" 1
766 1 53 TYR HA 1 82 LEU HA 4.930 . 4.930 3.708 3.426 4.019 . 0 0 "[ . 1]" 1
767 1 53 TYR QE 1 82 LEU HA 4.010 . 4.010 3.674 3.282 3.974 . 0 0 "[ . 1]" 1
768 1 53 TYR QD 1 82 LEU MD1 4.160 . 4.160 2.758 1.949 2.941 . 0 0 "[ . 1]" 1
769 1 53 TYR QD 1 82 LEU HA 4.320 . 4.320 3.388 3.036 3.635 . 0 0 "[ . 1]" 1
770 1 53 TYR QE 1 82 LEU MD1 3.370 . 3.370 2.495 1.796 3.158 0.004 6 0 "[ . 1]" 1
771 1 54 TYR H 1 54 TYR HB3 3.850 . 3.850 3.558 3.428 3.637 . 0 0 "[ . 1]" 1
772 1 54 TYR H 1 54 TYR HB2 3.720 . 3.720 2.401 2.116 2.512 . 0 0 "[ . 1]" 1
773 1 54 TYR H 1 54 TYR QD 3.610 . 3.610 3.647 3.597 3.690 0.080 1 0 "[ . 1]" 1
774 1 54 TYR HA 1 54 TYR QD 3.700 . 3.700 2.361 1.971 2.654 . 0 0 "[ . 1]" 1
775 1 54 TYR H 1 55 GLN H 3.340 . 3.340 2.396 1.978 3.429 0.089 9 0 "[ . 1]" 1
776 1 54 TYR HB2 1 55 GLN H 4.260 . 4.260 2.640 2.434 2.899 . 0 0 "[ . 1]" 1
777 1 54 TYR HB2 1 55 GLN QG 4.620 . 4.620 3.686 2.942 4.625 0.005 4 0 "[ . 1]" 1
778 1 54 TYR HB3 1 55 GLN H 4.880 . 4.880 2.859 1.998 3.326 . 0 0 "[ . 1]" 1
779 1 54 TYR H 1 55 GLN QG 5.500 . 5.500 4.578 3.905 5.245 . 0 0 "[ . 1]" 1
780 1 54 TYR HB3 1 55 GLN QG 4.620 . 4.620 2.655 2.225 3.511 . 0 0 "[ . 1]" 1
781 1 55 GLN H 1 55 GLN QG 4.520 . 4.520 2.809 2.258 3.609 . 0 0 "[ . 1]" 1
782 1 55 GLN HA 1 55 GLN QG 3.630 . 3.630 2.800 2.298 3.375 . 0 0 "[ . 1]" 1
783 1 55 GLN H 1 55 GLN HB2 3.830 . 3.830 3.268 2.739 3.870 0.040 7 0 "[ . 1]" 1
784 1 55 GLN HA 1 55 GLN HB3 3.040 . 3.040 2.413 2.307 2.639 . 0 0 "[ . 1]" 1
785 1 56 PRO HB2 1 57 THR H 4.000 . 4.000 3.904 3.536 4.011 0.011 10 0 "[ . 1]" 1
786 1 56 PRO HA 1 57 THR H 3.210 . 3.210 2.184 2.160 2.256 . 0 0 "[ . 1]" 1
787 1 56 PRO HB3 1 57 THR H 4.170 . 4.170 3.464 3.040 3.602 . 0 0 "[ . 1]" 1
788 1 56 PRO HB2 1 57 THR HA 5.500 . 5.500 4.845 4.591 4.946 . 0 0 "[ . 1]" 1
789 1 56 PRO HB2 1 77 VAL MG2 3.960 . 3.960 1.925 1.865 2.060 . 0 0 "[ . 1]" 1
790 1 56 PRO HB3 1 77 VAL MG2 4.130 . 4.130 1.922 1.890 1.958 . 0 0 "[ . 1]" 1
791 1 56 PRO HD3 1 77 VAL MG2 5.500 . 5.500 4.866 4.806 4.933 . 0 0 "[ . 1]" 1
792 1 56 PRO HB2 1 78 THR H 5.500 . 5.500 3.895 3.775 4.014 . 0 0 "[ . 1]" 1
793 1 56 PRO HB2 1 79 PRO HA 4.600 . 4.600 4.632 4.617 4.655 0.055 6 0 "[ . 1]" 1
794 1 56 PRO HA 1 79 PRO HB3 4.550 . 4.550 1.955 1.881 2.160 . 0 0 "[ . 1]" 1
795 1 56 PRO QG 1 79 PRO HB3 3.430 . 3.430 1.759 1.739 1.801 0.061 6 0 "[ . 1]" 1
796 1 56 PRO HD3 1 79 PRO HB2 4.350 . 4.350 4.371 4.362 4.393 0.043 8 0 "[ . 1]" 1
797 1 56 PRO QG 1 79 PRO HB2 3.140 . 3.140 2.990 2.913 3.142 0.002 8 0 "[ . 1]" 1
798 1 56 PRO QG 1 79 PRO HG3 3.450 . 3.450 2.206 2.137 2.302 . 0 0 "[ . 1]" 1
799 1 56 PRO QG 1 79 PRO HG2 3.220 . 3.220 3.285 3.212 3.335 0.115 5 0 "[ . 1]" 1
800 1 56 PRO QG 1 79 PRO HA 3.750 . 3.750 3.827 3.771 3.843 0.093 5 0 "[ . 1]" 1
801 1 56 PRO HB3 1 79 PRO HA 3.410 . 3.410 3.409 3.374 3.427 0.017 3 0 "[ . 1]" 1
802 1 57 THR H 1 57 THR HB 3.620 . 3.620 2.776 2.652 2.875 . 0 0 "[ . 1]" 1
803 1 57 THR HA 1 57 THR MG 3.600 . 3.600 2.223 2.111 2.370 . 0 0 "[ . 1]" 1
804 1 57 THR MG 1 58 ILE H 3.970 . 3.970 3.276 3.188 3.383 . 0 0 "[ . 1]" 1
805 1 57 THR HB 1 58 ILE H 5.090 . 5.090 4.274 4.215 4.334 . 0 0 "[ . 1]" 1
806 1 57 THR HA 1 58 ILE H 2.660 . 2.660 2.175 2.170 2.181 . 0 0 "[ . 1]" 1
807 1 57 THR H 1 58 ILE MD 4.730 . 4.730 4.688 4.483 4.746 0.016 4 0 "[ . 1]" 1
808 1 57 THR H 1 77 VAL MG2 4.910 . 4.910 3.530 3.066 3.974 . 0 0 "[ . 1]" 1
809 1 57 THR H 1 78 THR HB 4.660 . 4.660 3.954 3.660 4.034 . 0 0 "[ . 1]" 1
810 1 57 THR H 1 78 THR MG 4.600 . 4.600 4.435 4.283 4.566 . 0 0 "[ . 1]" 1
811 1 57 THR H 1 79 PRO HA 4.620 . 4.620 2.614 2.460 2.830 . 0 0 "[ . 1]" 1
812 1 58 ILE H 1 58 ILE HB 3.430 . 3.430 2.596 2.572 2.613 . 0 0 "[ . 1]" 1
813 1 58 ILE H 1 58 ILE HG13 4.040 . 4.040 2.825 2.797 2.851 . 0 0 "[ . 1]" 1
814 1 58 ILE HA 1 58 ILE HG13 3.730 . 3.730 2.515 2.491 2.536 . 0 0 "[ . 1]" 1
815 1 58 ILE H 1 58 ILE HG12 4.160 . 4.160 4.185 4.168 4.204 0.044 4 0 "[ . 1]" 1
816 1 58 ILE HA 1 58 ILE HG12 3.590 . 3.590 3.054 3.007 3.158 . 0 0 "[ . 1]" 1
817 1 58 ILE HA 1 58 ILE MG 3.350 . 3.350 2.350 2.289 2.426 . 0 0 "[ . 1]" 1
818 1 58 ILE HG12 1 58 ILE MG 2.980 . 2.980 2.050 1.931 2.173 . 0 0 "[ . 1]" 1
819 1 58 ILE H 1 58 ILE MD 3.690 . 3.690 3.004 2.807 3.098 . 0 0 "[ . 1]" 1
820 1 58 ILE HB 1 58 ILE MD 3.320 . 3.320 2.238 2.211 2.253 . 0 0 "[ . 1]" 1
821 1 58 ILE MD 1 58 ILE MG 3.280 . 3.280 2.656 2.561 2.801 . 0 0 "[ . 1]" 1
822 1 58 ILE HB 1 59 GLU H 4.370 . 4.370 4.341 4.224 4.396 0.026 5 0 "[ . 1]" 1
823 1 58 ILE HG13 1 59 GLU H 4.610 . 4.610 4.631 4.616 4.647 0.037 10 0 "[ . 1]" 1
824 1 58 ILE HA 1 59 GLU HB2 4.710 . 4.710 4.437 4.152 4.711 0.001 5 0 "[ . 1]" 1
825 1 58 ILE HA 1 59 GLU H . . 2.700 2.129 2.114 2.150 . 0 0 "[ . 1]" 1
826 1 58 ILE MG 1 59 GLU H 3.640 . 3.640 2.921 2.753 3.210 . 0 0 "[ . 1]" 1
827 1 58 ILE HB 1 60 PHE QE 5.070 . 5.070 4.132 3.622 4.568 . 0 0 "[ . 1]" 1
828 1 58 ILE MG 1 60 PHE QE 3.870 . 3.870 2.534 2.058 2.933 . 0 0 "[ . 1]" 1
829 1 58 ILE MG 1 60 PHE HA 5.500 . 5.500 4.729 4.577 4.830 . 0 0 "[ . 1]" 1
830 1 58 ILE MD 1 60 PHE QE 5.500 . 5.500 4.840 4.329 5.182 . 0 0 "[ . 1]" 1
831 1 58 ILE MG 1 60 PHE HZ 4.040 . 4.040 2.483 2.257 2.925 . 0 0 "[ . 1]" 1
832 1 58 ILE MG 1 75 ALA MB 3.870 . 3.870 2.772 2.435 3.034 . 0 0 "[ . 1]" 1
833 1 58 ILE MG 1 76 LYS H 4.430 . 4.430 3.423 3.173 3.598 . 0 0 "[ . 1]" 1
834 1 58 ILE MD 1 77 VAL MG2 2.960 . 2.960 2.228 2.122 2.359 . 0 0 "[ . 1]" 1
835 1 58 ILE MG 1 77 VAL MG1 4.030 . 4.030 4.009 3.918 4.041 0.011 7 0 "[ . 1]" 1
836 1 58 ILE HG13 1 77 VAL MG1 4.480 . 4.480 4.194 4.092 4.412 . 0 0 "[ . 1]" 1
837 1 58 ILE MG 1 77 VAL MG2 4.270 . 4.270 3.505 3.396 3.666 . 0 0 "[ . 1]" 1
838 1 58 ILE HG13 1 78 THR H 5.500 . 5.500 3.203 2.935 3.314 . 0 0 "[ . 1]" 1
839 1 59 GLU HA 1 59 GLU QG 3.540 . 3.540 2.357 2.057 2.543 . 0 0 "[ . 1]" 1
840 1 59 GLU H 1 59 GLU QG 3.960 . 3.960 3.159 2.492 3.971 0.011 8 0 "[ . 1]" 1
841 1 59 GLU H 1 59 GLU HB3 3.890 . 3.890 3.545 3.114 3.683 . 0 0 "[ . 1]" 1
842 1 59 GLU H 1 59 GLU HB2 3.640 . 3.640 2.419 2.229 2.569 . 0 0 "[ . 1]" 1
843 1 59 GLU QG 1 60 PHE H 4.160 . 4.160 3.502 2.236 4.052 . 0 0 "[ . 1]" 1
844 1 59 GLU HB3 1 60 PHE H 3.930 . 3.930 2.299 2.103 2.680 . 0 0 "[ . 1]" 1
845 1 59 GLU HB2 1 60 PHE H 3.960 . 3.960 3.589 3.366 3.976 0.016 4 0 "[ . 1]" 1
846 1 59 GLU HA 1 60 PHE HA 4.680 . 4.680 4.502 4.456 4.539 . 0 0 "[ . 1]" 1
847 1 59 GLU HA 1 60 PHE H . . 2.700 2.535 2.425 2.594 . 0 0 "[ . 1]" 1
848 1 59 GLU HB3 1 60 PHE QD 5.010 . 5.010 5.004 4.841 5.084 0.074 6 0 "[ . 1]" 1
849 1 59 GLU H 1 75 ALA HA 4.780 . 4.780 4.777 4.724 4.790 0.010 4 0 "[ . 1]" 1
850 1 59 GLU HB3 1 76 LYS QE 5.500 . 5.500 4.053 2.656 5.501 0.001 10 0 "[ . 1]" 1
851 1 59 GLU QG 1 76 LYS QE 5.270 . 5.270 4.937 4.409 5.271 0.001 3 0 "[ . 1]" 1
852 1 60 PHE H 1 60 PHE HB2 3.720 . 3.720 2.894 2.762 3.107 . 0 0 "[ . 1]" 1
853 1 60 PHE HA 1 60 PHE QD 3.670 . 3.670 2.639 2.018 2.922 . 0 0 "[ . 1]" 1
854 1 60 PHE H 1 60 PHE QD 3.820 . 3.820 3.333 3.123 3.737 . 0 0 "[ . 1]" 1
855 1 60 PHE QD 1 61 ASP H 4.470 . 4.470 3.941 3.759 4.217 . 0 0 "[ . 1]" 1
856 1 60 PHE HA 1 61 ASP HB3 5.270 . 5.270 4.570 4.465 4.756 . 0 0 "[ . 1]" 1
857 1 60 PHE HA 1 61 ASP HB2 5.500 . 5.500 4.355 4.166 4.505 . 0 0 "[ . 1]" 1
858 1 60 PHE HB3 1 61 ASP H 4.430 . 4.430 2.793 2.561 3.158 . 0 0 "[ . 1]" 1
859 1 60 PHE HB2 1 61 ASP H 4.440 . 4.440 3.777 3.422 4.121 . 0 0 "[ . 1]" 1
860 1 60 PHE HA 1 61 ASP H . . 2.700 2.243 2.146 2.302 . 0 0 "[ . 1]" 1
861 1 60 PHE HA 1 61 ASP HA 4.630 . 4.630 4.429 4.397 4.474 . 0 0 "[ . 1]" 1
862 1 60 PHE HA 1 62 LEU H 5.500 . 5.500 5.454 5.304 5.532 0.032 3 0 "[ . 1]" 1
863 1 60 PHE H 1 73 LEU MD2 5.410 . 5.410 4.825 4.647 5.098 . 0 0 "[ . 1]" 1
864 1 60 PHE HB3 1 73 LEU MD2 4.270 . 4.270 1.844 1.796 1.981 0.004 3 0 "[ . 1]" 1
865 1 60 PHE QD 1 73 LEU MD1 3.260 . 3.260 2.572 1.954 3.271 0.011 4 0 "[ . 1]" 1
866 1 60 PHE HB2 1 73 LEU MD1 5.010 . 5.010 3.667 3.214 4.166 . 0 0 "[ . 1]" 1
867 1 60 PHE QD 1 73 LEU MD2 3.440 . 3.440 3.231 3.011 3.442 0.002 1 0 "[ . 1]" 1
868 1 60 PHE HA 1 73 LEU MD2 3.950 . 3.950 3.229 3.077 3.442 . 0 0 "[ . 1]" 1
869 1 60 PHE HB2 1 73 LEU MD2 3.180 . 3.180 2.864 2.416 3.213 0.033 4 0 "[ . 1]" 1
870 1 60 PHE QD 1 74 ILE H 5.500 . 5.500 5.105 4.733 5.516 0.016 1 0 "[ . 1]" 1
871 1 60 PHE HA 1 74 ILE H 5.210 . 5.210 4.576 4.381 4.724 . 0 0 "[ . 1]" 1
872 1 60 PHE HA 1 74 ILE HB 5.120 . 5.120 4.014 3.655 4.298 . 0 0 "[ . 1]" 1
873 1 60 PHE HA 1 74 ILE MG 5.500 . 5.500 4.168 3.877 4.425 . 0 0 "[ . 1]" 1
874 1 60 PHE QD 1 75 ALA H 5.500 . 5.500 4.310 4.077 4.510 . 0 0 "[ . 1]" 1
875 1 60 PHE HB3 1 75 ALA HA 4.640 . 4.640 4.020 3.566 4.603 . 0 0 "[ . 1]" 1
876 1 60 PHE HZ 1 75 ALA MB 5.250 . 5.250 3.998 3.592 4.494 . 0 0 "[ . 1]" 1
877 1 60 PHE HA 1 75 ALA HA 3.430 . 3.430 2.585 2.399 2.889 . 0 0 "[ . 1]" 1
878 1 60 PHE HA 1 75 ALA MB 4.530 . 4.530 3.921 3.678 4.139 . 0 0 "[ . 1]" 1
879 1 60 PHE QD 1 75 ALA HA 4.200 . 4.200 2.196 1.950 2.486 . 0 0 "[ . 1]" 1
880 1 60 PHE QD 1 75 ALA MB 2.940 . 2.940 2.132 1.930 2.682 . 0 0 "[ . 1]" 1
881 1 60 PHE QE 1 75 ALA MB 3.020 . 3.020 2.032 1.826 2.361 . 0 0 "[ . 1]" 1
882 1 60 PHE QD 1 76 LYS H 4.870 . 4.870 4.039 3.517 4.409 . 0 0 "[ . 1]" 1
883 1 60 PHE HA 1 76 LYS H 4.160 . 4.160 3.401 3.191 3.617 . 0 0 "[ . 1]" 1
884 1 61 ASP H 1 61 ASP HB3 3.950 . 3.950 2.769 2.651 2.900 . 0 0 "[ . 1]" 1
885 1 61 ASP H 1 61 ASP HB2 3.940 . 3.940 3.137 3.003 3.319 . 0 0 "[ . 1]" 1
886 1 61 ASP HA 1 62 LEU H 2.990 . 2.990 2.210 2.182 2.217 . 0 0 "[ . 1]" 1
887 1 61 ASP H 1 62 LEU H 5.050 . 5.050 3.801 3.649 3.948 . 0 0 "[ . 1]" 1
888 1 61 ASP HB3 1 62 LEU H 5.020 . 5.020 4.430 4.347 4.461 . 0 0 "[ . 1]" 1
889 1 61 ASP HB2 1 62 LEU H 4.520 . 4.520 4.540 4.530 4.578 0.058 9 0 "[ . 1]" 1
890 1 61 ASP H 1 73 LEU MD2 4.560 . 4.560 2.271 1.978 2.737 . 0 0 "[ . 1]" 1
891 1 61 ASP HB3 1 74 ILE H 4.830 . 4.830 3.389 3.145 3.692 . 0 0 "[ . 1]" 1
892 1 61 ASP HB2 1 74 ILE H 5.500 . 5.500 4.797 4.385 5.010 . 0 0 "[ . 1]" 1
893 1 61 ASP HB2 1 74 ILE HB 3.590 . 3.590 3.424 3.054 3.597 0.007 5 0 "[ . 1]" 1
894 1 61 ASP H 1 74 ILE HB 4.040 . 4.040 2.649 2.367 2.852 . 0 0 "[ . 1]" 1
895 1 61 ASP HB3 1 74 ILE HB 3.290 . 3.290 2.161 1.991 2.438 . 0 0 "[ . 1]" 1
896 1 61 ASP H 1 74 ILE MG 4.060 . 4.060 3.887 3.716 4.062 0.002 9 0 "[ . 1]" 1
897 1 61 ASP HB3 1 74 ILE MG 3.890 . 3.890 3.576 3.375 3.895 0.005 3 0 "[ . 1]" 1
898 1 61 ASP HB2 1 74 ILE MG 5.230 . 5.230 4.338 4.085 4.548 . 0 0 "[ . 1]" 1
899 1 61 ASP HB3 1 74 ILE MD 4.040 . 4.040 2.269 1.866 2.894 . 0 0 "[ . 1]" 1
900 1 61 ASP HB2 1 74 ILE MD 4.760 . 4.760 3.567 3.084 4.193 . 0 0 "[ . 1]" 1
901 1 62 LEU H 1 62 LEU MD2 3.950 . 3.950 4.044 4.001 4.105 0.155 1 0 "[ . 1]" 1
902 1 62 LEU H 1 62 LEU HB3 3.370 . 3.370 2.527 2.288 2.790 . 0 0 "[ . 1]" 1
903 1 62 LEU H 1 62 LEU HB2 3.710 . 3.710 2.532 2.245 2.926 . 0 0 "[ . 1]" 1
904 1 62 LEU HA 1 62 LEU MD2 4.080 . 4.080 3.805 3.616 3.979 . 0 0 "[ . 1]" 1
905 1 62 LEU HB3 1 62 LEU MD2 3.170 . 3.170 2.296 1.950 2.631 . 0 0 "[ . 1]" 1
906 1 62 LEU HB2 1 62 LEU MD2 3.350 . 3.350 2.307 1.997 2.719 . 0 0 "[ . 1]" 1
907 1 62 LEU HA 1 63 ARG H 3.160 . 3.160 2.193 2.151 2.240 . 0 0 "[ . 1]" 1
908 1 62 LEU MD1 1 63 ARG H 3.470 . 3.470 2.319 1.807 2.854 . 0 0 "[ . 1]" 1
909 1 62 LEU HA 1 63 ARG QG 5.500 . 5.500 3.741 3.084 4.815 . 0 0 "[ . 1]" 1
910 1 62 LEU MD1 1 63 ARG QG 4.980 . 4.980 4.187 3.645 5.077 0.097 9 0 "[ . 1]" 1
911 1 62 LEU HG 1 63 ARG H 4.770 . 4.770 2.789 2.340 3.441 . 0 0 "[ . 1]" 1
912 1 62 LEU HA 1 63 ARG HD3 4.990 . 4.990 3.711 2.748 4.826 . 0 0 "[ . 1]" 1
913 1 62 LEU MD1 1 64 PRO HB3 5.500 . 5.500 5.290 4.935 5.509 0.009 3 0 "[ . 1]" 1
914 1 62 LEU MD1 1 64 PRO HD3 5.500 . 5.500 3.828 3.497 4.252 . 0 0 "[ . 1]" 1
915 1 62 LEU MD1 1 71 GLN HG2 4.660 . 4.660 4.292 2.467 4.710 0.050 6 0 "[ . 1]" 1
916 1 62 LEU HG 1 71 GLN HE21 4.440 . 4.440 3.346 2.698 4.456 0.016 8 0 "[ . 1]" 1
917 1 62 LEU HG 1 71 GLN HE22 4.150 . 4.150 3.174 1.994 4.151 0.001 10 0 "[ . 1]" 1
918 1 62 LEU MD2 1 71 GLN HE22 4.290 . 4.290 2.592 1.870 3.041 . 0 0 "[ . 1]" 1
919 1 62 LEU MD2 1 71 GLN HE21 3.900 . 3.900 3.404 2.212 3.903 0.003 2 0 "[ . 1]" 1
920 1 62 LEU MD1 1 71 GLN HE22 4.120 . 4.120 3.077 2.702 3.427 . 0 0 "[ . 1]" 1
921 1 62 LEU MD1 1 71 GLN HE21 4.270 . 4.270 3.078 2.435 4.107 . 0 0 "[ . 1]" 1
922 1 62 LEU MD1 1 73 LEU H 3.910 . 3.910 3.868 3.707 3.940 0.030 7 0 "[ . 1]" 1
923 1 62 LEU MD1 1 73 LEU HB3 3.370 . 3.370 3.376 3.274 3.409 0.039 3 0 "[ . 1]" 1
924 1 63 ARG H 1 63 ARG HD3 4.300 . 4.300 3.459 2.314 4.315 0.015 9 0 "[ . 1]" 1
925 1 63 ARG HB2 1 63 ARG HD3 3.960 . 3.960 3.731 2.083 4.154 0.194 10 0 "[ . 1]" 1
926 1 63 ARG HB2 1 63 ARG HD2 3.490 . 3.490 3.335 2.520 3.515 0.025 10 0 "[ . 1]" 1
927 1 63 ARG H 1 63 ARG HD2 4.780 . 4.780 3.465 2.495 4.118 . 0 0 "[ . 1]" 1
928 1 63 ARG H 1 63 ARG HB2 3.770 . 3.770 3.401 2.633 3.785 0.015 10 0 "[ . 1]" 1
929 1 63 ARG H 1 63 ARG QG 3.870 . 3.870 2.530 1.975 3.871 0.001 9 0 "[ . 1]" 1
930 1 63 ARG H 1 63 ARG HB3 4.110 . 4.110 3.697 3.488 3.798 . 0 0 "[ . 1]" 1
931 1 63 ARG HA 1 63 ARG HD2 3.410 . 3.410 3.401 3.096 3.468 0.058 8 0 "[ . 1]" 1
932 1 63 ARG H 1 65 PRO HD3 5.240 . 5.240 5.284 5.218 5.325 0.085 4 0 "[ . 1]" 1
933 1 63 ARG QG 1 65 PRO HD3 5.500 . 5.500 5.047 4.573 5.381 . 0 0 "[ . 1]" 1
934 1 63 ARG HA 1 65 PRO HD3 3.130 . 3.130 3.176 3.107 3.217 0.087 4 0 "[ . 1]" 1
935 1 63 ARG H 1 65 PRO HD2 5.280 . 5.280 4.814 4.693 4.916 . 0 0 "[ . 1]" 1
936 1 63 ARG HA 1 65 PRO HD2 3.400 . 3.400 2.966 2.804 3.190 . 0 0 "[ . 1]" 1
937 1 63 ARG QG 1 65 PRO HD2 4.180 . 4.180 3.904 3.279 4.241 0.061 6 0 "[ . 1]" 1
938 1 63 ARG HB3 1 65 PRO HD2 3.620 . 3.620 3.079 2.584 3.488 . 0 0 "[ . 1]" 1
939 1 63 ARG QG 1 72 VAL H 4.750 . 4.750 3.725 2.660 4.794 0.044 9 0 "[ . 1]" 1
940 1 63 ARG HD3 1 72 VAL MG2 4.080 . 4.080 4.013 3.698 4.260 0.180 3 0 "[ . 1]" 1
941 1 63 ARG QG 1 72 VAL HB 3.670 . 3.670 3.161 1.894 3.755 0.085 8 0 "[ . 1]" 1
942 1 63 ARG HD3 1 72 VAL HB 5.020 . 5.020 4.411 2.816 5.040 0.020 8 0 "[ . 1]" 1
943 1 63 ARG HD2 1 74 ILE MD 4.070 . 4.070 3.330 2.659 4.087 0.017 2 0 "[ . 1]" 1
944 1 63 ARG HD3 1 74 ILE MD 3.710 . 3.710 2.727 1.971 3.712 0.002 3 0 "[ . 1]" 1
945 1 64 PRO HB3 1 71 GLN HG2 4.260 . 4.260 3.444 3.194 4.125 . 0 0 "[ . 1]" 1
946 1 64 PRO HG3 1 71 GLN HE21 4.570 . 4.570 3.382 2.402 4.560 . 0 0 "[ . 1]" 1
947 1 64 PRO HG2 1 71 GLN HE21 5.150 . 5.150 4.607 3.842 5.168 0.018 6 0 "[ . 1]" 1
948 1 64 PRO HG2 1 71 GLN HE22 5.500 . 5.500 4.947 4.139 5.511 0.011 6 0 "[ . 1]" 1
949 1 64 PRO HG3 1 71 GLN HE22 5.500 . 5.500 3.430 2.402 4.379 . 0 0 "[ . 1]" 1
950 1 64 PRO HA 1 71 GLN HE22 3.980 . 3.980 3.184 2.957 4.010 0.030 4 0 "[ . 1]" 1
951 1 64 PRO HD3 1 71 GLN HE22 4.510 . 4.510 3.844 2.857 4.521 0.011 4 0 "[ . 1]" 1
952 1 64 PRO HD3 1 71 GLN HE21 4.450 . 4.450 3.607 3.038 4.240 . 0 0 "[ . 1]" 1
953 1 64 PRO HD2 1 71 GLN HE21 4.860 . 4.860 4.771 4.507 4.881 0.021 2 0 "[ . 1]" 1
954 1 66 PRO HA 1 67 LYS H 3.440 . 3.440 2.479 2.448 2.488 . 0 0 "[ . 1]" 1
955 1 66 PRO HB3 1 68 LYS H 4.130 . 4.130 4.158 4.136 4.179 0.049 10 0 "[ . 1]" 1
956 1 66 PRO HB2 1 68 LYS H 3.870 . 3.870 2.605 2.568 2.632 . 0 0 "[ . 1]" 1
957 1 66 PRO HG3 1 68 LYS H 5.080 . 5.080 5.116 5.078 5.146 0.066 1 0 "[ . 1]" 1
958 1 66 PRO HB2 1 68 LYS HA 5.500 . 5.500 4.888 4.794 4.969 . 0 0 "[ . 1]" 1
959 1 66 PRO HG3 1 69 GLY HA2 5.500 . 5.500 4.702 4.509 4.913 . 0 0 "[ . 1]" 1
960 1 66 PRO HG3 1 69 GLY HA3 5.500 . 5.500 3.455 3.260 3.661 . 0 0 "[ . 1]" 1
961 1 66 PRO HG2 1 71 GLN HA 4.560 . 4.560 4.011 3.832 4.214 . 0 0 "[ . 1]" 1
962 1 66 PRO HG3 1 71 GLN HA 4.490 . 4.490 2.623 2.395 2.874 . 0 0 "[ . 1]" 1
963 1 66 PRO HD2 1 71 GLN H 5.500 . 5.500 4.558 4.425 4.643 . 0 0 "[ . 1]" 1
964 1 66 PRO HD3 1 71 GLN HA 3.230 . 3.230 1.997 1.930 2.073 . 0 0 "[ . 1]" 1
965 1 66 PRO HD2 1 71 GLN HA 3.110 . 3.110 3.155 3.135 3.171 0.061 7 0 "[ . 1]" 1
966 1 66 PRO HD3 1 72 VAL MG1 5.500 . 5.500 4.335 3.562 5.361 . 0 0 "[ . 1]" 1
967 1 66 PRO HD3 1 72 VAL H 4.700 . 4.700 2.657 2.503 3.024 . 0 0 "[ . 1]" 1
968 1 66 PRO HD2 1 72 VAL H 5.500 . 5.500 4.374 4.150 4.727 . 0 0 "[ . 1]" 1
969 1 67 LYS H 1 67 LYS QB 3.320 . 3.320 2.640 2.377 2.880 . 0 0 "[ . 1]" 1
970 1 67 LYS HA 1 67 LYS QD 3.990 . 3.990 3.815 3.644 4.004 0.014 2 0 "[ . 1]" 1
971 1 67 LYS H 1 67 LYS HG2 4.880 . 4.880 3.369 2.972 3.870 . 0 0 "[ . 1]" 1
972 1 67 LYS H 1 67 LYS HG3 4.920 . 4.920 2.729 1.740 4.095 0.060 2 0 "[ . 1]" 1
973 1 67 LYS HA 1 67 LYS QE 5.370 . 5.370 5.207 4.495 5.378 0.008 6 0 "[ . 1]" 1
974 1 67 LYS HA 1 67 LYS HG2 3.930 . 3.930 3.872 3.521 4.126 0.196 2 0 "[ . 1]" 1
975 1 67 LYS QD 1 68 LYS HB3 2.400 . 2.400 2.439 2.414 2.473 0.073 2 0 "[ . 1]" 1
976 1 67 LYS QD 1 68 LYS HB2 2.400 . 2.400 1.978 1.849 2.182 . 0 0 "[ . 1]" 1
977 1 67 LYS QB 1 68 LYS HA 5.500 . 5.500 4.639 4.462 4.866 . 0 0 "[ . 1]" 1
978 1 68 LYS HA 1 68 LYS QE 5.440 . 5.440 4.198 3.035 4.989 . 0 0 "[ . 1]" 1
979 1 68 LYS H 1 68 LYS HB2 4.030 . 4.030 3.033 2.944 3.103 . 0 0 "[ . 1]" 1
980 1 68 LYS H 1 68 LYS HB3 4.030 . 4.030 2.795 2.746 2.857 . 0 0 "[ . 1]" 1
981 1 68 LYS H 1 68 LYS QG 4.630 . 4.630 4.183 4.115 4.239 . 0 0 "[ . 1]" 1
982 1 68 LYS HA 1 68 LYS QG 3.820 . 3.820 2.448 2.243 2.850 . 0 0 "[ . 1]" 1
983 1 68 LYS QG 1 69 GLY H 5.330 . 5.330 4.390 4.303 4.520 . 0 0 "[ . 1]" 1
984 1 68 LYS HB3 1 69 GLY HA2 4.950 . 4.950 4.994 4.955 5.022 0.072 9 0 "[ . 1]" 1
985 1 68 LYS HB3 1 69 GLY H 4.710 . 4.710 4.128 4.117 4.141 . 0 0 "[ . 1]" 1
986 1 68 LYS QG 1 69 GLY HA3 5.500 . 5.500 4.932 4.737 5.202 . 0 0 "[ . 1]" 1
987 1 68 LYS HA 1 69 GLY H 3.340 2.100 3.340 2.908 2.893 2.917 . 0 0 "[ . 1]" 1
988 1 68 LYS HA 1 69 GLY HA3 4.650 . 4.650 4.790 4.766 4.815 0.165 1 0 "[ . 1]" 1
989 1 69 GLY HA2 1 70 ARG H 3.190 . 3.190 2.854 2.823 2.877 . 0 0 "[ . 1]" 1
990 1 69 GLY HA3 1 70 ARG H 3.320 . 3.320 2.300 2.289 2.321 . 0 0 "[ . 1]" 1
991 1 70 ARG H 1 70 ARG HB2 3.360 . 3.360 2.370 2.248 2.768 . 0 0 "[ . 1]" 1
992 1 70 ARG H 1 70 ARG QD 4.330 . 4.330 3.008 2.174 4.306 . 0 0 "[ . 1]" 1
993 1 70 ARG QB 1 70 ARG QD 3.310 . 3.310 2.346 2.191 2.907 . 0 0 "[ . 1]" 1
994 1 70 ARG H 1 70 ARG HG3 4.100 . 4.100 3.982 2.652 4.163 0.063 7 0 "[ . 1]" 1
995 1 70 ARG H 1 70 ARG HG2 4.440 . 4.440 3.748 2.821 4.402 . 0 0 "[ . 1]" 1
996 1 70 ARG HA 1 70 ARG HG2 3.970 . 3.970 3.315 2.657 3.689 . 0 0 "[ . 1]" 1
997 1 70 ARG HA 1 70 ARG HG3 3.720 . 3.720 2.892 2.276 3.714 . 0 0 "[ . 1]" 1
998 1 70 ARG HA 1 70 ARG QD 4.110 . 4.110 2.751 1.974 4.111 0.001 1 0 "[ . 1]" 1
999 1 71 GLN HA 1 71 GLN HG2 3.870 . 3.870 2.203 2.054 2.396 . 0 0 "[ . 1]" 1
1000 1 71 GLN HA 1 71 GLN HG3 4.010 . 4.010 3.276 2.835 3.481 . 0 0 "[ . 1]" 1
1001 1 71 GLN H 1 71 GLN HB2 3.960 . 3.960 2.786 2.731 2.884 . 0 0 "[ . 1]" 1
1002 1 71 GLN HG2 1 72 VAL H 4.530 . 4.530 3.869 2.829 4.392 . 0 0 "[ . 1]" 1
1003 1 71 GLN HB3 1 72 VAL H 5.460 . 5.460 3.436 3.006 3.657 . 0 0 "[ . 1]" 1
1004 1 71 GLN HB2 1 72 VAL H 5.500 . 5.500 4.379 4.092 4.520 . 0 0 "[ . 1]" 1
1005 1 71 GLN HA 1 72 VAL H 3.060 . 3.060 2.186 2.126 2.268 . 0 0 "[ . 1]" 1
1006 1 71 GLN HA 1 72 VAL MG1 5.130 . 5.130 4.525 4.125 5.323 0.193 4 0 "[ . 1]" 1
1007 1 72 VAL H 1 72 VAL HB 3.460 . 3.460 3.074 2.153 3.637 0.177 7 0 "[ . 1]" 1
1008 1 72 VAL H 1 72 VAL MG1 3.430 . 3.430 3.150 2.540 3.604 0.174 4 0 "[ . 1]" 1
1009 1 72 VAL HA 1 72 VAL MG2 3.510 . 3.510 2.638 2.020 3.171 . 0 0 "[ . 1]" 1
1010 1 72 VAL HA 1 73 LEU H . . 2.700 2.206 2.154 2.269 . 0 0 "[ . 1]" 1
1011 1 72 VAL HA 1 73 LEU HB3 5.500 . 5.500 4.599 4.353 4.853 . 0 0 "[ . 1]" 1
1012 1 72 VAL HB 1 73 LEU H . . 5.200 3.565 2.760 4.538 . 0 0 "[ . 1]" 1
1013 1 72 VAL MG2 1 73 LEU H 3.910 . 3.910 3.522 2.253 4.021 0.111 2 0 "[ . 1]" 1
1014 1 73 LEU H 1 73 LEU HB3 3.930 . 3.930 2.803 2.662 3.000 . 0 0 "[ . 1]" 1
1015 1 73 LEU HA 1 73 LEU MD1 4.680 . 4.680 3.577 3.360 3.774 . 0 0 "[ . 1]" 1
1016 1 73 LEU H 1 73 LEU MD1 4.760 . 4.760 4.209 3.953 4.612 . 0 0 "[ . 1]" 1
1017 1 73 LEU HB3 1 73 LEU MD1 3.290 . 3.290 2.139 2.001 2.200 . 0 0 "[ . 1]" 1
1018 1 73 LEU HB3 1 73 LEU MD2 3.560 . 3.560 3.058 2.834 3.163 . 0 0 "[ . 1]" 1
1019 1 73 LEU HB2 1 74 ILE H . . 5.200 4.378 4.301 4.487 . 0 0 "[ . 1]" 1
1020 1 73 LEU HG 1 74 ILE H 4.730 . 4.730 4.644 4.249 4.761 0.031 9 0 "[ . 1]" 1
1021 1 73 LEU MD1 1 74 ILE HA 4.630 . 4.630 4.115 3.595 4.674 0.044 5 0 "[ . 1]" 1
1022 1 73 LEU MD2 1 74 ILE H 3.570 . 3.570 2.128 1.831 2.254 . 0 0 "[ . 1]" 1
1023 1 73 LEU HA 1 74 ILE H . . 2.700 2.147 2.122 2.176 . 0 0 "[ . 1]" 1
1024 1 74 ILE H 1 74 ILE HB 3.400 . 3.400 2.592 2.548 2.639 . 0 0 "[ . 1]" 1
1025 1 74 ILE H 1 74 ILE HG13 3.860 . 3.860 2.313 2.049 2.637 . 0 0 "[ . 1]" 1
1026 1 74 ILE HA 1 74 ILE HG13 4.170 . 4.170 2.890 2.592 3.173 . 0 0 "[ . 1]" 1
1027 1 74 ILE H 1 74 ILE HG12 4.180 . 4.180 3.645 3.238 4.020 . 0 0 "[ . 1]" 1
1028 1 74 ILE HA 1 74 ILE HG12 4.140 . 4.140 2.786 2.569 3.097 . 0 0 "[ . 1]" 1
1029 1 74 ILE HA 1 74 ILE MG 3.360 . 3.360 2.296 2.237 2.363 . 0 0 "[ . 1]" 1
1030 1 74 ILE H 1 74 ILE MD 4.420 . 4.420 3.331 2.830 3.723 . 0 0 "[ . 1]" 1
1031 1 74 ILE HA 1 74 ILE MD 3.840 . 3.840 3.861 3.842 3.898 0.058 5 0 "[ . 1]" 1
1032 1 74 ILE MG 1 75 ALA H 3.430 . 3.430 2.026 1.926 2.132 . 0 0 "[ . 1]" 1
1033 1 74 ILE HB 1 76 LYS HG3 5.500 . 5.500 4.455 3.948 5.119 . 0 0 "[ . 1]" 1
1034 1 74 ILE MG 1 76 LYS QD 4.990 . 4.990 2.415 1.865 3.262 . 0 0 "[ . 1]" 1
1035 1 74 ILE MG 1 76 LYS HG3 3.600 . 3.600 2.364 2.178 2.779 . 0 0 "[ . 1]" 1
1036 1 75 ALA H 1 75 ALA MB 3.260 . 3.260 2.579 2.477 2.667 . 0 0 "[ . 1]" 1
1037 1 75 ALA MB 1 76 LYS H 3.790 . 3.790 3.388 3.292 3.469 . 0 0 "[ . 1]" 1
1038 1 75 ALA HA 1 76 LYS H . . 2.700 2.158 2.145 2.178 . 0 0 "[ . 1]" 1
1039 1 76 LYS H 1 76 LYS HB2 3.500 . 3.500 2.690 2.603 2.777 . 0 0 "[ . 1]" 1
1040 1 76 LYS HB2 1 76 LYS QE 4.990 . 4.990 2.515 1.967 3.244 . 0 0 "[ . 1]" 1
1041 1 76 LYS H 1 76 LYS QD 5.500 . 5.500 2.860 1.981 4.487 . 0 0 "[ . 1]" 1
1042 1 76 LYS QE 1 76 LYS HG3 3.850 . 3.850 3.006 2.166 3.453 . 0 0 "[ . 1]" 1
1043 1 76 LYS H 1 76 LYS HG3 3.970 . 3.970 2.836 2.310 3.225 . 0 0 "[ . 1]" 1
1044 1 76 LYS HA 1 76 LYS HG3 3.710 . 3.710 2.752 2.468 3.209 . 0 0 "[ . 1]" 1
1045 1 76 LYS HB2 1 77 VAL H 5.070 . 5.070 4.077 3.682 4.242 . 0 0 "[ . 1]" 1
1046 1 76 LYS HB2 1 77 VAL HA 5.320 . 5.320 4.705 4.416 4.873 . 0 0 "[ . 1]" 1
1047 1 76 LYS HA 1 77 VAL H 2.780 . 2.780 2.168 2.143 2.279 . 0 0 "[ . 1]" 1
1048 1 76 LYS HA 1 77 VAL MG1 4.140 . 4.140 3.811 3.744 3.869 . 0 0 "[ . 1]" 1
1049 1 77 VAL H 1 77 VAL HB 3.320 . 3.320 2.986 2.921 3.235 . 0 0 "[ . 1]" 1
1050 1 77 VAL HA 1 77 VAL MG2 3.390 . 3.390 2.283 2.238 2.431 . 0 0 "[ . 1]" 1
1051 1 77 VAL H 1 77 VAL MG1 3.540 . 3.540 2.114 1.940 2.335 . 0 0 "[ . 1]" 1
1052 1 77 VAL HA 1 77 VAL MG1 3.310 . 3.310 3.190 3.183 3.194 . 0 0 "[ . 1]" 1
1053 1 77 VAL HB 1 78 THR H 4.920 . 4.920 3.985 3.923 4.036 . 0 0 "[ . 1]" 1
1054 1 77 VAL MG2 1 78 THR HB 5.500 . 5.500 4.548 4.506 4.581 . 0 0 "[ . 1]" 1
1055 1 77 VAL MG2 1 78 THR H 3.740 . 3.740 1.922 1.866 2.118 . 0 0 "[ . 1]" 1
1056 1 77 VAL HA 1 78 THR HB 5.270 . 5.270 4.503 4.471 4.577 . 0 0 "[ . 1]" 1
1057 1 77 VAL HA 1 78 THR H 2.960 . 2.960 2.255 2.237 2.280 . 0 0 "[ . 1]" 1
1058 1 77 VAL MG2 1 78 THR HA 4.200 . 4.200 3.465 3.133 3.579 . 0 0 "[ . 1]" 1
1059 1 77 VAL HB 1 79 PRO HD3 5.100 . 5.100 5.051 4.943 5.116 0.016 9 0 "[ . 1]" 1
1060 1 77 VAL MG2 1 79 PRO HG2 4.030 . 4.030 3.957 3.677 4.049 0.019 4 0 "[ . 1]" 1
1061 1 77 VAL MG2 1 79 PRO HD3 3.850 . 3.850 2.405 2.021 2.541 . 0 0 "[ . 1]" 1
1062 1 78 THR H 1 78 THR HB 3.850 . 3.850 2.966 2.864 3.052 . 0 0 "[ . 1]" 1
1063 1 78 THR H 1 78 THR MG 4.230 . 4.230 3.993 3.955 4.034 . 0 0 "[ . 1]" 1
1064 1 78 THR HA 1 78 THR MG 3.160 . 3.160 2.389 2.278 2.473 . 0 0 "[ . 1]" 1
1065 1 78 THR H 1 79 PRO HA 5.220 . 5.220 4.410 4.362 4.516 . 0 0 "[ . 1]" 1
1066 1 78 THR HA 1 79 PRO HG3 4.320 . 4.320 4.307 4.222 4.347 0.027 5 0 "[ . 1]" 1
1067 1 78 THR HA 1 79 PRO HD3 3.090 . 3.090 2.113 2.046 2.148 . 0 0 "[ . 1]" 1
1068 1 78 THR HA 1 79 PRO HD2 3.250 . 3.250 2.604 2.529 2.704 . 0 0 "[ . 1]" 1
1069 1 78 THR MG 1 79 PRO HD2 4.280 . 4.280 3.610 3.510 3.794 . 0 0 "[ . 1]" 1
1070 1 78 THR MG 1 79 PRO HD3 4.510 . 4.510 3.970 3.892 4.010 . 0 0 "[ . 1]" 1
1071 1 78 THR MG 1 80 GLY HA2 5.180 . 5.180 4.524 4.366 4.894 . 0 0 "[ . 1]" 1
1072 1 78 THR HA 1 80 GLY H 5.090 . 5.090 4.848 4.724 4.983 . 0 0 "[ . 1]" 1
1073 1 79 PRO HB3 1 80 GLY H 3.700 . 3.700 3.467 3.428 3.503 . 0 0 "[ . 1]" 1
1074 1 79 PRO HB2 1 80 GLY H 4.460 . 4.460 2.015 1.951 2.096 . 0 0 "[ . 1]" 1
1075 1 79 PRO HG3 1 80 GLY H 4.040 . 4.040 3.660 3.570 3.853 . 0 0 "[ . 1]" 1
1076 1 79 PRO HG2 1 80 GLY H 4.820 . 4.820 2.305 2.150 2.644 . 0 0 "[ . 1]" 1
1077 1 79 PRO HD2 1 80 GLY H 4.190 . 4.190 2.521 2.251 2.714 . 0 0 "[ . 1]" 1
1078 1 79 PRO HD3 1 80 GLY H 4.700 . 4.700 3.912 3.718 4.040 . 0 0 "[ . 1]" 1
1079 1 80 GLY H 1 80 GLY HA3 2.960 . 2.960 2.911 2.879 2.953 . 0 0 "[ . 1]" 1
1080 1 80 GLY HA3 1 81 VAL H 3.280 . 3.280 2.674 2.498 3.049 . 0 0 "[ . 1]" 1
1081 1 80 GLY HA2 1 81 VAL MG1 5.470 . 5.470 5.301 5.160 5.444 . 0 0 "[ . 1]" 1
1082 1 80 GLY H 1 81 VAL HB 5.500 . 5.500 5.471 5.305 5.535 0.035 4 0 "[ . 1]" 1
1083 1 80 GLY H 1 81 VAL MG1 5.480 . 5.480 4.562 4.108 4.753 . 0 0 "[ . 1]" 1
1084 1 80 GLY HA3 1 81 VAL MG1 4.470 . 4.470 4.335 4.228 4.524 0.054 9 0 "[ . 1]" 1
1085 1 81 VAL H 1 81 VAL HB 3.000 . 3.000 2.849 2.783 2.945 . 0 0 "[ . 1]" 1
1086 1 81 VAL HA 1 81 VAL MG2 3.270 . 3.270 2.173 2.107 2.277 . 0 0 "[ . 1]" 1
1087 1 81 VAL H 1 81 VAL MG1 2.990 . 2.990 2.231 2.094 2.366 . 0 0 "[ . 1]" 1
1088 1 81 VAL HA 1 81 VAL MG1 3.270 . 3.270 3.198 3.186 3.204 . 0 0 "[ . 1]" 1
1089 1 81 VAL HA 1 82 LEU H 2.550 . 2.550 2.284 2.216 2.340 . 0 0 "[ . 1]" 1
1090 1 81 VAL MG2 1 82 LEU MD1 5.500 . 5.500 5.174 4.644 5.414 . 0 0 "[ . 1]" 1
1091 1 81 VAL MG1 1 83 GLU HA 5.500 . 5.500 5.215 4.737 5.533 0.033 9 0 "[ . 1]" 1
1092 1 82 LEU H 1 82 LEU HB3 3.270 . 3.270 2.825 2.744 2.894 . 0 0 "[ . 1]" 1
1093 1 82 LEU H 1 82 LEU HB2 3.510 . 3.510 3.233 3.029 3.368 . 0 0 "[ . 1]" 1
1094 1 82 LEU H 1 82 LEU MD2 5.060 . 5.060 4.529 4.345 4.758 . 0 0 "[ . 1]" 1
1095 1 82 LEU HA 1 82 LEU MD2 4.050 . 4.050 3.811 3.470 3.910 . 0 0 "[ . 1]" 1
1096 1 82 LEU HB3 1 82 LEU MD2 3.280 . 3.280 2.152 1.969 2.710 . 0 0 "[ . 1]" 1
1097 1 82 LEU HB2 1 82 LEU MD2 3.360 . 3.360 2.586 2.012 2.796 . 0 0 "[ . 1]" 1
1098 1 82 LEU H 1 82 LEU MD1 5.360 . 5.360 4.421 4.100 4.634 . 0 0 "[ . 1]" 1
1099 1 82 LEU HA 1 82 LEU MD1 3.370 . 3.370 2.335 1.899 2.602 . 0 0 "[ . 1]" 1
1100 1 82 LEU HB3 1 82 LEU MD1 3.610 . 3.610 3.121 3.094 3.150 . 0 0 "[ . 1]" 1
1101 1 82 LEU HB2 1 82 LEU MD1 3.290 . 3.290 2.301 2.117 2.792 . 0 0 "[ . 1]" 1
1102 1 82 LEU HB3 1 83 GLU H 4.670 . 4.670 4.072 3.817 4.425 . 0 0 "[ . 1]" 1
1103 1 82 LEU MD2 1 83 GLU H 4.640 . 4.640 4.111 3.745 4.660 0.020 9 0 "[ . 1]" 1
1104 1 82 LEU MD1 1 83 GLU H 3.490 . 3.490 2.998 2.180 3.408 . 0 0 "[ . 1]" 1
1105 1 82 LEU MD1 1 83 GLU HA 5.500 . 5.500 4.995 3.396 5.503 0.003 2 0 "[ . 1]" 1
1106 1 82 LEU HA 1 83 GLU H 2.850 . 2.850 2.193 2.140 2.268 . 0 0 "[ . 1]" 1
1107 1 82 LEU HA 1 83 GLU QB 4.920 . 4.920 4.416 4.331 4.485 . 0 0 "[ . 1]" 1
1108 1 82 LEU HA 1 83 GLU QG 5.500 . 5.500 3.900 3.621 4.199 . 0 0 "[ . 1]" 1
1109 1 83 GLU H 1 83 GLU HG3 3.710 . 3.710 2.831 2.038 3.721 0.011 9 0 "[ . 1]" 1
1110 1 83 GLU H 1 83 GLU QB 3.210 . 3.210 2.508 2.210 2.888 . 0 0 "[ . 1]" 1
1111 1 83 GLU QB 1 83 GLU QG 2.400 . 2.400 2.053 2.014 2.085 . 0 0 "[ . 1]" 1
1112 1 83 GLU HA 1 83 GLU QG 3.450 . 3.450 2.791 2.296 3.414 . 0 0 "[ . 1]" 1
1113 1 83 GLU QB 1 84 HIS H 4.340 . 4.340 3.006 2.292 3.480 . 0 0 "[ . 1]" 1
1114 1 13 GLN HA 1 14 LEU H 4.000 . 4.000 3.426 3.363 3.509 . 0 0 "[ . 1]" 1
1115 1 13 GLN H 1 14 LEU H 3.300 . 3.300 2.472 2.171 2.890 . 0 0 "[ . 1]" 1
1116 1 13 GLN H 1 15 GLU H 4.700 . 4.700 4.609 4.415 4.778 0.078 6 0 "[ . 1]" 1
1117 1 13 GLN HA 1 16 LYS HB2 5.600 . 5.600 3.225 2.456 4.185 . 0 0 "[ . 1]" 1
1118 1 14 LEU HA 1 15 GLU H 4.000 . 4.000 3.555 3.542 3.563 . 0 0 "[ . 1]" 1
1119 1 14 LEU HA 1 16 LYS H 4.900 . 4.900 4.213 4.067 4.361 . 0 0 "[ . 1]" 1
1120 1 14 LEU H 1 16 LYS H 4.700 . 4.700 3.801 3.597 3.945 . 0 0 "[ . 1]" 1
1121 1 14 LEU HA 1 17 ASN H 3.900 . 3.900 3.522 3.466 3.589 . 0 0 "[ . 1]" 1
1122 1 14 LEU HA 1 18 VAL H 4.700 . 4.700 3.958 3.815 4.128 . 0 0 "[ . 1]" 1
1123 1 15 GLU HA 1 16 LYS H 4.000 . 4.000 3.496 3.483 3.507 . 0 0 "[ . 1]" 1
1124 1 15 GLU H 1 16 LYS H 3.300 . 3.300 2.660 2.539 2.758 . 0 0 "[ . 1]" 1
1125 1 16 LYS HA 1 17 ASN H 4.000 . 4.000 3.558 3.540 3.570 . 0 0 "[ . 1]" 1
1126 1 16 LYS HB2 1 17 ASN H 4.900 . 4.900 2.843 2.294 3.947 . 0 0 "[ . 1]" 1
1127 1 16 LYS HA 1 18 VAL H 4.900 . 4.900 4.643 4.514 4.864 . 0 0 "[ . 1]" 1
1128 1 16 LYS H 1 18 VAL H 4.700 . 4.700 4.154 4.022 4.376 . 0 0 "[ . 1]" 1
1129 1 16 LYS HA 1 19 ARG H 3.900 . 3.900 3.492 3.402 3.618 . 0 0 "[ . 1]" 1
1130 1 16 LYS HA 1 19 ARG HB2 5.600 . 5.600 2.568 2.404 2.887 . 0 0 "[ . 1]" 1
1131 1 16 LYS HA 1 20 ALA H 4.700 . 4.700 4.398 4.292 4.465 . 0 0 "[ . 1]" 1
1132 1 17 ASN HA 1 18 VAL H 4.000 . 4.000 3.556 3.544 3.570 . 0 0 "[ . 1]" 1
1133 1 17 ASN H 1 19 ARG H 4.700 . 4.700 4.094 3.943 4.340 . 0 0 "[ . 1]" 1
1134 1 18 VAL HA 1 19 ARG H 4.000 . 4.000 3.536 3.514 3.562 . 0 0 "[ . 1]" 1
1135 1 18 VAL H 1 19 ARG H 3.300 . 3.300 2.714 2.661 2.775 . 0 0 "[ . 1]" 1
1136 1 18 VAL HB 1 19 ARG H 4.900 . 4.900 2.622 2.420 2.778 . 0 0 "[ . 1]" 1
1137 1 18 VAL HA 1 20 ALA H 4.900 . 4.900 4.342 4.138 4.432 . 0 0 "[ . 1]" 1
1138 1 18 VAL H 1 20 ALA H 4.700 . 4.700 4.296 4.132 4.410 . 0 0 "[ . 1]" 1
1139 1 18 VAL HA 1 22 LEU H 4.700 . 4.700 3.966 3.859 4.080 . 0 0 "[ . 1]" 1
1140 1 19 ARG HA 1 20 ALA H 4.000 . 4.000 3.548 3.519 3.558 . 0 0 "[ . 1]" 1
1141 1 19 ARG H 1 20 ALA H 3.300 . 3.300 2.782 2.720 2.896 . 0 0 "[ . 1]" 1
1142 1 19 ARG HB2 1 20 ALA H 4.900 . 4.900 3.141 2.743 3.637 . 0 0 "[ . 1]" 1
1143 1 19 ARG HA 1 21 GLN H 4.900 . 4.900 4.506 4.320 4.717 . 0 0 "[ . 1]" 1
1144 1 19 ARG H 1 21 GLN H 4.700 . 4.700 4.218 4.018 4.398 . 0 0 "[ . 1]" 1
1145 1 19 ARG HA 1 23 SER H 4.700 . 4.700 4.396 4.320 4.435 . 0 0 "[ . 1]" 1
1146 1 20 ALA HA 1 21 GLN H 4.000 . 4.000 3.547 3.524 3.564 . 0 0 "[ . 1]" 1
1147 1 20 ALA HA 1 22 LEU H 4.900 . 4.900 4.302 4.163 4.570 . 0 0 "[ . 1]" 1
1148 1 20 ALA HA 1 23 SER H 3.900 . 3.900 3.523 3.481 3.576 . 0 0 "[ . 1]" 1
1149 1 20 ALA HA 1 23 SER HB2 5.600 . 5.600 3.334 2.912 4.935 . 0 0 "[ . 1]" 1
1150 1 20 ALA HA 1 24 THR H 4.700 . 4.700 4.578 4.531 4.641 . 0 0 "[ . 1]" 1
1151 1 21 GLN HA 1 22 LEU H 4.000 . 4.000 3.510 3.492 3.542 . 0 0 "[ . 1]" 1
1152 1 21 GLN H 1 22 LEU H 3.300 . 3.300 2.573 2.510 2.642 . 0 0 "[ . 1]" 1
1153 1 21 GLN H 1 23 SER H 4.700 . 4.700 4.114 4.018 4.319 . 0 0 "[ . 1]" 1
1154 1 21 GLN HA 1 24 THR H 3.900 . 3.900 3.087 2.987 3.203 . 0 0 "[ . 1]" 1
1155 1 21 GLN HA 1 24 THR HB 5.600 . 5.600 3.453 2.769 4.001 . 0 0 "[ . 1]" 1
1156 1 21 GLN HA 1 25 ILE H 4.700 . 4.700 4.276 4.096 4.372 . 0 0 "[ . 1]" 1
1157 1 22 LEU HA 1 23 SER H 4.000 . 4.000 3.508 3.493 3.539 . 0 0 "[ . 1]" 1
1158 1 22 LEU H 1 23 SER H 3.300 . 3.300 2.684 2.618 2.797 . 0 0 "[ . 1]" 1
1159 1 22 LEU HA 1 24 THR H 4.900 . 4.900 4.266 4.062 4.478 . 0 0 "[ . 1]" 1
1160 1 22 LEU HA 1 25 ILE H 3.900 . 3.900 3.671 3.589 3.746 . 0 0 "[ . 1]" 1
1161 1 22 LEU HA 1 25 ILE HB 5.600 . 5.600 3.860 3.543 4.055 . 0 0 "[ . 1]" 1
1162 1 23 SER HA 1 24 THR H 4.000 . 4.000 3.478 3.417 3.524 . 0 0 "[ . 1]" 1
1163 1 23 SER H 1 24 THR H 3.300 . 3.300 2.418 2.332 2.491 . 0 0 "[ . 1]" 1
1164 1 23 SER HB2 1 24 THR H 4.900 . 4.900 3.349 2.974 3.971 . 0 0 "[ . 1]" 1
1165 1 23 SER HA 1 25 ILE H 4.900 . 4.900 3.934 3.838 4.045 . 0 0 "[ . 1]" 1
1166 1 23 SER H 1 25 ILE H 4.700 . 4.700 3.914 3.823 4.127 . 0 0 "[ . 1]" 1
1167 1 24 THR HA 1 25 ILE H 4.000 . 4.000 3.404 3.359 3.467 . 0 0 "[ . 1]" 1
1168 1 24 THR H 1 25 ILE H 3.300 . 3.300 2.432 2.258 2.553 . 0 0 "[ . 1]" 1
1169 1 24 THR HB 1 25 ILE H 4.900 . 4.900 4.068 3.702 4.174 . 0 0 "[ . 1]" 1
1170 1 33 ASP HA 1 34 ARG H 4.000 . 4.000 2.624 2.619 2.632 . 0 0 "[ . 1]" 1
1171 1 33 ASP HB2 1 34 ARG H 4.900 . 4.900 3.659 3.545 3.755 . 0 0 "[ . 1]" 1
1172 1 33 ASP H 1 35 ARG H 4.700 . 4.700 3.947 3.914 4.008 . 0 0 "[ . 1]" 1
1173 1 33 ASP HA 1 37 ARG H 4.700 . 4.700 4.760 4.735 4.787 0.087 8 0 "[ . 1]" 1
1174 1 34 ARG H 1 35 ARG H 3.300 . 3.300 2.847 2.810 2.876 . 0 0 "[ . 1]" 1
1175 1 34 ARG HB2 1 35 ARG H 4.900 . 4.900 3.532 2.898 3.972 . 0 0 "[ . 1]" 1
1176 1 34 ARG HA 1 36 PHE H 4.900 . 4.900 4.509 4.461 4.647 . 0 0 "[ . 1]" 1
1177 1 34 ARG H 1 36 PHE H 4.700 . 4.700 4.373 4.333 4.456 . 0 0 "[ . 1]" 1
1178 1 34 ARG HA 1 38 ALA H 4.700 . 4.700 4.273 4.142 4.512 . 0 0 "[ . 1]" 1
1179 1 35 ARG HA 1 36 PHE H 4.000 . 4.000 3.528 3.522 3.546 . 0 0 "[ . 1]" 1
1180 1 35 ARG H 1 36 PHE H 3.300 . 3.300 2.466 2.445 2.515 . 0 0 "[ . 1]" 1
1181 1 35 ARG HB2 1 36 PHE H 4.900 . 4.900 3.597 3.501 3.668 . 0 0 "[ . 1]" 1
1182 1 35 ARG HA 1 37 ARG H 4.900 . 4.900 4.429 4.332 4.492 . 0 0 "[ . 1]" 1
1183 1 35 ARG H 1 37 ARG H 4.700 . 4.700 3.955 3.849 4.005 . 0 0 "[ . 1]" 1
1184 1 35 ARG HA 1 38 ALA H 3.900 . 3.900 3.499 3.361 3.720 . 0 0 "[ . 1]" 1
1185 1 35 ARG HA 1 39 ARG H 4.700 . 4.700 4.194 4.016 4.431 . 0 0 "[ . 1]" 1
1186 1 36 PHE HA 1 37 ARG H 4.000 . 4.000 3.520 3.502 3.527 . 0 0 "[ . 1]" 1
1187 1 36 PHE H 1 37 ARG H 3.300 . 3.300 2.585 2.525 2.669 . 0 0 "[ . 1]" 1
1188 1 36 PHE HA 1 38 ALA H 4.900 . 4.900 4.563 4.205 4.906 0.006 6 0 "[ . 1]" 1
1189 1 36 PHE H 1 38 ALA H 4.700 . 4.700 4.248 4.045 4.543 . 0 0 "[ . 1]" 1
1190 1 36 PHE HA 1 39 ARG HB2 5.600 . 5.600 2.604 2.294 3.000 . 0 0 "[ . 1]" 1
1191 1 36 PHE HA 1 40 VAL H 4.700 . 4.700 4.294 4.155 4.396 . 0 0 "[ . 1]" 1
1192 1 37 ARG H 1 38 ALA H 3.300 . 3.300 2.865 2.732 3.011 . 0 0 "[ . 1]" 1
1193 1 38 ALA HA 1 39 ARG H 4.000 . 4.000 3.546 3.538 3.551 . 0 0 "[ . 1]" 1
1194 1 38 ALA HA 1 40 VAL H 4.900 . 4.900 4.421 4.128 4.594 . 0 0 "[ . 1]" 1
1195 1 38 ALA H 1 40 VAL H 4.700 . 4.700 4.305 4.012 4.438 . 0 0 "[ . 1]" 1
1196 1 38 ALA HA 1 42 ASP H 4.700 . 4.700 3.765 3.575 3.886 . 0 0 "[ . 1]" 1
1197 1 39 ARG HA 1 40 VAL H 4.000 . 4.000 3.544 3.502 3.563 . 0 0 "[ . 1]" 1
1198 1 39 ARG H 1 40 VAL H 3.300 . 3.300 2.799 2.671 2.878 . 0 0 "[ . 1]" 1
1199 1 39 ARG HB2 1 40 VAL H 4.900 . 4.900 2.749 2.504 3.028 . 0 0 "[ . 1]" 1
1200 1 39 ARG HA 1 41 ASP H 4.900 . 4.900 4.672 4.448 4.917 0.017 6 0 "[ . 1]" 1
1201 1 39 ARG HA 1 42 ASP H 3.900 . 3.900 3.716 3.600 3.858 . 0 0 "[ . 1]" 1
1202 1 39 ARG HA 1 43 ALA H 4.700 . 4.700 4.061 3.892 4.257 . 0 0 "[ . 1]" 1
1203 1 40 VAL HA 1 41 ASP H 4.000 . 4.000 3.546 3.522 3.560 . 0 0 "[ . 1]" 1
1204 1 40 VAL H 1 41 ASP H 3.300 . 3.300 2.613 2.585 2.677 . 0 0 "[ . 1]" 1
1205 1 40 VAL HA 1 42 ASP H 4.900 . 4.900 4.405 4.223 4.658 . 0 0 "[ . 1]" 1
1206 1 40 VAL H 1 42 ASP H 4.700 . 4.700 4.082 3.902 4.278 . 0 0 "[ . 1]" 1
1207 1 40 VAL HA 1 43 ALA H 3.900 . 3.900 3.403 3.227 3.547 . 0 0 "[ . 1]" 1
1208 1 41 ASP HA 1 42 ASP H 4.000 . 4.000 3.528 3.510 3.548 . 0 0 "[ . 1]" 1
1209 1 41 ASP H 1 42 ASP H 3.300 . 3.300 2.733 2.668 2.818 . 0 0 "[ . 1]" 1
1210 1 41 ASP HA 1 43 ALA H 4.900 . 4.900 4.561 4.336 4.794 . 0 0 "[ . 1]" 1
1211 1 41 ASP H 1 43 ALA H 4.700 . 4.700 4.166 4.059 4.384 . 0 0 "[ . 1]" 1
1212 1 41 ASP HA 1 44 ILE HB 5.600 . 5.600 3.233 2.964 3.459 . 0 0 "[ . 1]" 1
1213 1 41 ASP HA 1 45 ARG H 4.700 . 4.700 4.011 3.653 4.212 . 0 0 "[ . 1]" 1
1214 1 42 ASP HA 1 43 ALA H 4.000 . 4.000 3.539 3.505 3.559 . 0 0 "[ . 1]" 1
1215 1 42 ASP H 1 43 ALA H 3.300 . 3.300 2.615 2.462 2.715 . 0 0 "[ . 1]" 1
1216 1 42 ASP HA 1 44 ILE H 4.900 . 4.900 4.787 4.607 4.907 0.007 5 0 "[ . 1]" 1
1217 1 42 ASP H 1 44 ILE H 4.700 . 4.700 4.440 4.162 4.620 . 0 0 "[ . 1]" 1
1218 1 42 ASP HA 1 46 GLU H 4.700 . 4.700 3.933 3.713 4.124 . 0 0 "[ . 1]" 1
1219 1 43 ALA HA 1 44 ILE H 4.000 . 4.000 3.574 3.558 3.593 . 0 0 "[ . 1]" 1
1220 1 43 ALA H 1 44 ILE H 3.300 . 3.300 2.920 2.827 3.045 . 0 0 "[ . 1]" 1
1221 1 43 ALA HA 1 45 ARG H 4.900 . 4.900 4.885 4.714 4.936 0.036 6 0 "[ . 1]" 1
1222 1 43 ALA HA 1 47 GLY H 4.700 . 4.700 4.093 3.966 4.340 . 0 0 "[ . 1]" 1
1223 1 44 ILE HA 1 45 ARG H 4.000 . 4.000 3.556 3.550 3.563 . 0 0 "[ . 1]" 1
1224 1 44 ILE H 1 45 ARG H 3.300 . 3.300 2.889 2.802 2.998 . 0 0 "[ . 1]" 1
1225 1 44 ILE HA 1 46 GLU H 4.900 . 4.900 4.267 4.079 4.522 . 0 0 "[ . 1]" 1
1226 1 44 ILE H 1 46 GLU H 4.700 . 4.700 4.057 3.894 4.368 . 0 0 "[ . 1]" 1
1227 1 44 ILE HA 1 47 GLY H 3.900 . 3.900 3.714 3.640 3.787 . 0 0 "[ . 1]" 1
1228 1 44 ILE HA 1 48 LEU H 4.700 . 4.700 3.688 3.599 3.835 . 0 0 "[ . 1]" 1
1229 1 45 ARG HA 1 46 GLU H 4.000 . 4.000 3.533 3.499 3.573 . 0 0 "[ . 1]" 1
1230 1 45 ARG H 1 46 GLU H 3.300 . 3.300 2.797 2.694 2.977 . 0 0 "[ . 1]" 1
1231 1 45 ARG HB2 1 46 GLU H 4.900 . 4.900 3.906 3.826 3.994 . 0 0 "[ . 1]" 1
1232 1 45 ARG HA 1 47 GLY H 4.900 . 4.900 4.902 4.871 4.916 0.016 2 0 "[ . 1]" 1
1233 1 45 ARG H 1 47 GLY H 4.700 . 4.700 4.678 4.579 4.721 0.021 9 0 "[ . 1]" 1
1234 1 45 ARG HA 1 49 LYS H 4.700 . 4.700 3.592 3.430 3.931 . 0 0 "[ . 1]" 1
1235 1 46 GLU HA 1 47 GLY H 4.000 . 4.000 3.572 3.559 3.582 . 0 0 "[ . 1]" 1
1236 1 46 GLU HA 1 48 LEU H 4.900 . 4.900 4.466 4.125 4.685 . 0 0 "[ . 1]" 1
1237 1 46 GLU H 1 48 LEU H 4.700 . 4.700 3.791 3.657 3.903 . 0 0 "[ . 1]" 1
1238 1 47 GLY HA2 1 48 LEU H 4.000 . 4.000 3.507 3.470 3.527 . 0 0 "[ . 1]" 1
1239 1 47 GLY H 1 48 LEU H 3.300 . 3.300 2.589 2.545 2.632 . 0 0 "[ . 1]" 1
1240 1 47 GLY HA2 1 49 LYS H 4.900 . 4.900 4.150 4.082 4.312 . 0 0 "[ . 1]" 1
1241 1 47 GLY H 1 49 LYS H 4.700 . 4.700 3.950 3.888 4.027 . 0 0 "[ . 1]" 1
1242 1 48 LEU HA 1 49 LYS H 4.000 . 4.000 3.479 3.452 3.498 . 0 0 "[ . 1]" 1
1243 1 48 LEU HA 1 50 ALA H 4.900 . 4.900 3.839 3.707 4.002 . 0 0 "[ . 1]" 1
1244 1 49 LYS HA 1 50 ALA H 4.000 . 4.000 3.431 3.393 3.457 . 0 0 "[ . 1]" 1
1245 1 49 LYS HB2 1 50 ALA H 4.900 . 4.900 4.208 4.129 4.265 . 0 0 "[ . 1]" 1
1246 1 2 ASN H 1 3 VAL H 4.800 . 4.800 3.411 3.064 4.237 . 0 0 "[ . 1]" 1
1247 1 2 ASN HB2 1 3 VAL H 5.200 . 5.200 4.525 4.312 4.667 . 0 0 "[ . 1]" 1
1248 1 3 VAL HB 1 4 ARG H 5.200 . 5.200 2.766 2.664 3.249 . 0 0 "[ . 1]" 1
1249 1 4 ARG H 1 5 LEU H 4.800 . 4.800 4.055 3.746 4.169 . 0 0 "[ . 1]" 1
1250 1 5 LEU H 1 6 GLN H 4.800 . 4.800 4.556 4.431 4.621 . 0 0 "[ . 1]" 1
1251 1 6 GLN H 1 7 VAL H 4.800 . 4.800 4.499 4.342 4.598 . 0 0 "[ . 1]" 1
1252 1 6 GLN HB2 1 7 VAL H 5.200 . 5.200 4.319 4.090 4.579 . 0 0 "[ . 1]" 1
1253 1 7 VAL H 1 8 GLU H 4.800 . 4.800 4.493 4.397 4.568 . 0 0 "[ . 1]" 1
1254 1 8 GLU H 1 9 GLY H 4.800 . 4.800 4.170 4.094 4.234 . 0 0 "[ . 1]" 1
1255 1 9 GLY HA2 1 10 LEU H 2.700 . 2.700 2.793 2.737 2.832 0.132 1 0 "[ . 1]" 1
1256 1 9 GLY H 1 10 LEU H 4.800 . 4.800 2.338 2.173 2.551 . 0 0 "[ . 1]" 1
1257 1 10 LEU H 1 11 SER H 4.800 . 4.800 4.392 4.372 4.408 . 0 0 "[ . 1]" 1
1258 1 57 THR H 1 58 ILE H 4.800 . 4.800 4.277 4.203 4.300 . 0 0 "[ . 1]" 1
1259 1 58 ILE H 1 59 GLU H 4.800 . 4.800 4.224 4.109 4.368 . 0 0 "[ . 1]" 1
1260 1 59 GLU H 1 60 PHE H 4.800 . 4.800 4.509 4.455 4.551 . 0 0 "[ . 1]" 1
1261 1 60 PHE H 1 61 ASP H 4.800 . 4.800 4.372 4.301 4.427 . 0 0 "[ . 1]" 1
1262 1 72 VAL H 1 73 LEU H 4.800 . 4.800 4.466 4.436 4.516 . 0 0 "[ . 1]" 1
1263 1 73 LEU H 1 74 ILE H 4.800 . 4.800 4.146 4.100 4.283 . 0 0 "[ . 1]" 1
1264 1 74 ILE HA 1 75 ALA H 2.700 . 2.700 2.285 2.253 2.309 . 0 0 "[ . 1]" 1
1265 1 74 ILE H 1 75 ALA H 4.800 . 4.800 4.591 4.523 4.621 . 0 0 "[ . 1]" 1
1266 1 74 ILE HB 1 75 ALA H 5.200 . 5.200 3.747 3.703 3.811 . 0 0 "[ . 1]" 1
1267 1 75 ALA H 1 76 LYS H 4.800 . 4.800 3.994 3.892 4.154 . 0 0 "[ . 1]" 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 64
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 39.633
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0225
_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 6 GLN 0.145 0.023 7 0 "[ . 1]"
1 8 GLU 0.227 0.047 3 0 "[ . 1]"
1 13 GLN 0.031 0.023 1 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.187 0.039 7 0 "[ . 1]"
1 16 LYS 0.269 0.049 8 0 "[ . 1]"
1 17 ASN 0.399 0.048 1 0 "[ . 1]"
1 18 VAL 0.000 0.000 . 0 "[ . 1]"
1 19 ARG 0.494 0.047 7 0 "[ . 1]"
1 20 ALA 0.820 0.073 10 0 "[ . 1]"
1 21 GLN 0.461 0.048 1 0 "[ . 1]"
1 22 LEU 0.000 0.000 . 0 "[ . 1]"
1 23 SER 0.307 0.047 7 0 "[ . 1]"
1 24 THR 0.551 0.073 10 0 "[ . 1]"
1 25 ILE 0.093 0.026 3 0 "[ . 1]"
1 33 ASP 0.000 0.000 . 0 "[ . 1]"
1 35 ARG 0.039 0.014 1 0 "[ . 1]"
1 36 PHE 0.018 0.014 8 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 ARG 0.065 0.016 3 0 "[ . 1]"
1 40 VAL 0.018 0.014 8 0 "[ . 1]"
1 41 ASP 0.000 0.000 . 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 43 ALA 0.043 0.017 5 0 "[ . 1]"
1 44 ILE 0.314 0.047 9 0 "[ . 1]"
1 45 ARG 0.000 0.000 . 0 "[ . 1]"
1 46 GLU 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.017 0.017 5 0 "[ . 1]"
1 48 LEU 0.314 0.047 9 0 "[ . 1]"
1 49 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 THR 0.309 0.042 8 0 "[ . 1]"
1 59 GLU 0.219 0.028 4 0 "[ . 1]"
1 61 ASP 0.169 0.021 9 0 "[ . 1]"
1 63 ARG 0.674 0.141 8 0 "[ . 1]"
1 72 VAL 0.674 0.141 8 0 "[ . 1]"
1 73 LEU 0.054 0.023 7 0 "[ . 1]"
1 74 ILE 0.169 0.021 9 0 "[ . 1]"
1 75 ALA 0.319 0.047 3 0 "[ . 1]"
1 76 LYS 0.219 0.028 4 0 "[ . 1]"
1 77 VAL 0.000 0.000 . 0 "[ . 1]"
1 78 THR 0.309 0.042 8 0 "[ . 1]"
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 13 GLN O 1 17 ASN H 1.600 . 2.200 1.887 1.641 2.223 0.023 1 0 "[ . 1]" 2
2 1 13 GLN O 1 17 ASN N 2.600 2.400 3.100 2.819 2.605 3.092 . 0 0 "[ . 1]" 2
3 1 14 LEU O 1 18 VAL H 1.600 . 2.200 1.956 1.821 2.076 . 0 0 "[ . 1]" 2
4 1 14 LEU O 1 18 VAL N 2.600 2.400 3.100 2.930 2.798 3.056 . 0 0 "[ . 1]" 2
5 1 15 GLU O 1 19 ARG H 1.600 . 2.200 2.205 2.111 2.239 0.039 7 0 "[ . 1]" 2
6 1 15 GLU O 1 19 ARG N 2.600 2.400 3.100 3.063 3.026 3.124 0.024 3 0 "[ . 1]" 2
7 1 16 LYS O 1 20 ALA H 1.600 . 2.200 2.205 2.185 2.220 0.020 10 0 "[ . 1]" 2
8 1 16 LYS O 1 20 ALA N 2.600 2.400 3.100 3.118 3.071 3.149 0.049 8 0 "[ . 1]" 2
9 1 17 ASN O 1 21 GLN H 1.600 . 2.200 2.190 2.154 2.214 0.014 4 0 "[ . 1]" 2
10 1 17 ASN O 1 21 GLN N 2.600 2.400 3.100 3.132 3.112 3.148 0.048 1 0 "[ . 1]" 2
11 1 18 VAL O 1 22 LEU H 1.600 . 2.200 1.719 1.626 1.830 . 0 0 "[ . 1]" 2
12 1 18 VAL O 1 22 LEU N 2.600 2.400 3.100 2.608 2.556 2.707 . 0 0 "[ . 1]" 2
13 1 19 ARG O 1 23 SER H 1.600 . 2.200 2.230 2.215 2.247 0.047 7 0 "[ . 1]" 2
14 1 19 ARG O 1 23 SER N 2.600 2.400 3.100 3.058 3.000 3.106 0.006 5 0 "[ . 1]" 2
15 1 20 ALA O 1 24 THR H 1.600 . 2.200 2.251 2.234 2.273 0.073 10 0 "[ . 1]" 2
16 1 20 ALA O 1 24 THR N 2.600 2.400 3.100 3.039 2.898 3.119 0.019 1 0 "[ . 1]" 2
17 1 21 GLN O 1 25 ILE H 1.600 . 2.200 2.164 2.039 2.226 0.026 3 0 "[ . 1]" 2
18 1 21 GLN O 1 25 ILE N 2.600 2.400 3.100 2.861 2.785 2.994 . 0 0 "[ . 1]" 2
19 1 33 ASP O 1 37 ARG H 1.600 . 2.200 1.905 1.847 1.943 . 0 0 "[ . 1]" 2
20 1 33 ASP O 1 37 ARG N 2.600 2.400 3.100 2.874 2.814 2.908 . 0 0 "[ . 1]" 2
21 1 35 ARG O 1 39 ARG H 1.600 . 2.200 2.089 1.861 2.186 . 0 0 "[ . 1]" 2
22 1 35 ARG O 1 39 ARG N 2.600 2.400 3.100 3.025 2.796 3.114 0.014 1 0 "[ . 1]" 2
23 1 36 PHE O 1 40 VAL H 1.600 . 2.200 2.111 2.028 2.158 . 0 0 "[ . 1]" 2
24 1 36 PHE O 1 40 VAL N 2.600 2.400 3.100 3.046 2.965 3.114 0.014 8 0 "[ . 1]" 2
25 1 37 ARG O 1 41 ASP H 1.600 . 2.200 1.920 1.794 2.124 . 0 0 "[ . 1]" 2
26 1 37 ARG O 1 41 ASP N 2.600 2.400 3.100 2.872 2.762 3.064 . 0 0 "[ . 1]" 2
27 1 38 ALA O 1 42 ASP H 1.600 . 2.200 1.756 1.622 1.853 . 0 0 "[ . 1]" 2
28 1 38 ALA O 1 42 ASP N 2.600 2.400 3.100 2.696 2.594 2.824 . 0 0 "[ . 1]" 2
29 1 39 ARG O 1 43 ALA H 1.600 . 2.200 2.012 1.844 2.208 0.008 6 0 "[ . 1]" 2
30 1 39 ARG O 1 43 ALA N 2.600 2.400 3.100 2.923 2.811 3.116 0.016 3 0 "[ . 1]" 2
31 1 40 VAL O 1 44 ILE H 1.600 . 2.200 1.988 1.757 2.103 . 0 0 "[ . 1]" 2
32 1 40 VAL O 1 44 ILE N 2.600 2.400 3.100 2.955 2.723 3.084 . 0 0 "[ . 1]" 2
33 1 42 ASP O 1 46 GLU H 1.600 . 2.200 1.871 1.754 2.034 . 0 0 "[ . 1]" 2
34 1 42 ASP O 1 46 GLU N 2.600 2.400 3.100 2.717 2.642 2.965 . 0 0 "[ . 1]" 2
35 1 43 ALA O 1 47 GLY H 1.600 . 2.200 2.005 1.945 2.154 . 0 0 "[ . 1]" 2
36 1 43 ALA O 1 47 GLY N 2.600 2.400 3.100 2.973 2.903 3.117 0.017 5 0 "[ . 1]" 2
37 1 44 ILE O 1 48 LEU H 1.600 . 2.200 1.569 1.553 1.585 0.047 9 0 "[ . 1]" 2
38 1 44 ILE O 1 48 LEU N 2.600 2.400 3.100 2.480 2.417 2.510 . 0 0 "[ . 1]" 2
39 1 45 ARG O 1 49 LYS H 1.600 . 2.200 1.781 1.683 1.908 . 0 0 "[ . 1]" 2
40 1 45 ARG O 1 49 LYS N 2.600 2.400 3.100 2.520 2.465 2.623 . 0 0 "[ . 1]" 2
41 1 6 GLN H 1 73 LEU O 1.600 . 2.200 2.087 1.800 2.208 0.008 1 0 "[ . 1]" 2
42 1 6 GLN N 1 73 LEU O 2.600 2.400 3.100 2.992 2.754 3.123 0.023 7 0 "[ . 1]" 2
43 1 8 GLU H 1 75 ALA O 1.600 . 2.200 2.223 2.208 2.247 0.047 3 0 "[ . 1]" 2
44 1 8 GLU N 1 75 ALA O 2.600 2.400 3.100 2.799 2.707 2.923 . 0 0 "[ . 1]" 2
45 1 57 THR H 1 78 THR O 1.600 . 2.200 2.217 2.199 2.231 0.031 2 0 "[ . 1]" 2
46 1 57 THR N 1 78 THR O 2.600 2.400 3.100 3.099 3.039 3.142 0.042 8 0 "[ . 1]" 2
47 1 59 GLU H 1 76 LYS O 1.600 . 2.200 1.972 1.848 2.096 . 0 0 "[ . 1]" 2
48 1 59 GLU N 1 76 LYS O 2.600 2.400 3.100 2.855 2.752 2.939 . 0 0 "[ . 1]" 2
49 1 61 ASP H 1 74 ILE O 1.600 . 2.200 2.170 2.025 2.220 0.020 1 0 "[ . 1]" 2
50 1 61 ASP N 1 74 ILE O 2.600 2.400 3.100 3.066 2.947 3.115 0.015 4 0 "[ . 1]" 2
51 1 63 ARG H 1 72 VAL O 1.600 . 2.200 1.788 1.652 1.964 . 0 0 "[ . 1]" 2
52 1 63 ARG N 1 72 VAL O 2.600 2.400 3.100 2.665 2.471 2.830 . 0 0 "[ . 1]" 2
53 1 63 ARG O 1 72 VAL H 1.600 . 2.200 2.166 1.968 2.260 0.060 8 0 "[ . 1]" 2
54 1 63 ARG O 1 72 VAL N 2.600 2.400 3.100 3.123 2.857 3.241 0.141 8 0 "[ . 1]" 2
55 1 61 ASP O 1 74 ILE H 1.600 . 2.200 2.103 1.981 2.201 0.001 5 0 "[ . 1]" 2
56 1 61 ASP O 1 74 ILE N 2.600 2.400 3.100 3.060 2.931 3.121 0.021 9 0 "[ . 1]" 2
57 1 6 GLN O 1 75 ALA H 1.600 . 2.200 2.123 1.708 2.219 0.019 4 0 "[ . 1]" 2
58 1 6 GLN O 1 75 ALA N 2.600 2.400 3.100 2.787 2.564 2.985 . 0 0 "[ . 1]" 2
59 1 59 GLU O 1 76 LYS H 1.600 . 2.200 2.218 2.206 2.228 0.028 4 0 "[ . 1]" 2
60 1 59 GLU O 1 76 LYS N 2.600 2.400 3.100 3.086 3.043 3.124 0.024 6 0 "[ . 1]" 2
61 1 8 GLU O 1 77 VAL H 1.600 . 2.200 1.727 1.627 1.976 . 0 0 "[ . 1]" 2
62 1 8 GLU O 1 77 VAL N 2.600 2.400 3.100 2.678 2.592 2.773 . 0 0 "[ . 1]" 2
63 1 57 THR O 1 78 THR H 1.600 . 2.200 2.066 1.911 2.215 0.015 1 0 "[ . 1]" 2
64 1 57 THR O 1 78 THR N 2.600 2.400 3.100 2.772 2.663 2.917 . 0 0 "[ . 1]" 2
stop_
save_
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