NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394810 |
1ri9   |
5467 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ri9
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 742
_Distance_constraint_stats_list.Viol_count 2043
_Distance_constraint_stats_list.Viol_total 4507.500
_Distance_constraint_stats_list.Viol_max 2.491
_Distance_constraint_stats_list.Viol_rms 0.1125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.233 0.071 3 0 "[ . 1 . 2]"
1 24 LYS 0.735 0.248 10 0 "[ . 1 . 2]"
1 25 ASP 0.735 0.248 10 0 "[ . 1 . 2]"
1 26 PHE 5.458 0.204 4 0 "[ . 1 . 2]"
1 27 ARG 25.823 1.338 7 20 [-*****+*************]
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.186 0.095 7 0 "[ . 1 . 2]"
1 30 PHE 4.730 0.383 4 0 "[ . 1 . 2]"
1 31 LYS 0.822 0.032 10 0 "[ . 1 . 2]"
1 32 TYR 29.936 1.338 7 20 [-*****+*************]
1 33 ASP 0.559 0.024 14 0 "[ . 1 . 2]"
1 34 GLY 0.289 0.030 7 0 "[ . 1 . 2]"
1 35 GLU 1.500 0.073 12 0 "[ . 1 . 2]"
1 36 ILE 4.691 0.167 13 0 "[ . 1 . 2]"
1 37 ARG 0.779 0.070 19 0 "[ . 1 . 2]"
1 38 VAL 6.340 0.777 19 4 "[ . * 1* . - +2]"
1 39 LEU 1.330 0.382 9 0 "[ . 1 . 2]"
1 40 TYR 4.689 0.382 9 0 "[ . 1 . 2]"
1 41 SER 1.187 0.075 10 0 "[ . 1 . 2]"
1 42 THR 0.937 0.069 20 0 "[ . 1 . 2]"
1 43 LYS 1.089 0.064 12 0 "[ . 1 . 2]"
1 44 VAL 20.385 0.756 13 20 [*****-******+*******]
1 45 THR 0.952 0.066 3 0 "[ . 1 . 2]"
1 46 THR 0.459 0.066 3 0 "[ . 1 . 2]"
1 47 SER 0.221 0.045 20 0 "[ . 1 . 2]"
1 48 ILE 8.570 0.308 20 0 "[ . 1 . 2]"
1 49 THR 14.622 0.756 13 20 [*****-******+*******]
1 50 SER 50.934 2.491 13 20 [*****-******+*******]
1 51 LYS 2.018 0.081 2 0 "[ . 1 . 2]"
1 52 LYS 1.638 0.081 2 0 "[ . 1 . 2]"
1 53 TRP 67.879 2.491 13 20 [*****-******+*******]
1 54 GLY 1.017 0.081 2 0 "[ . 1 . 2]"
1 56 ARG 5.938 0.216 7 0 "[ . 1 . 2]"
1 57 ASP 0.189 0.032 9 0 "[ . 1 . 2]"
1 58 LEU 2.177 0.647 19 3 "[ . 1 .-* +2]"
1 59 GLN 8.578 0.224 16 0 "[ . 1 . 2]"
1 60 VAL 14.474 0.439 17 0 "[ . 1 . 2]"
1 61 LYS 5.445 0.293 18 0 "[ . 1 . 2]"
1 62 PRO 6.642 0.293 18 0 "[ . 1 . 2]"
1 63 GLY 0.220 0.049 6 0 "[ . 1 . 2]"
1 64 GLU 2.111 0.131 19 0 "[ . 1 . 2]"
1 65 SER 2.123 0.131 19 0 "[ . 1 . 2]"
1 66 LEU 0.671 0.302 14 0 "[ . 1 . 2]"
1 67 GLU 6.957 0.777 19 4 "[ . * 1* . - +2]"
1 68 VAL 5.004 0.315 12 0 "[ . 1 . 2]"
1 69 ILE 13.735 0.419 10 0 "[ . 1 . 2]"
1 70 GLN 0.961 0.059 7 0 "[ . 1 . 2]"
1 71 THR 1.374 0.144 12 0 "[ . 1 . 2]"
1 72 THR 9.007 0.485 6 0 "[ . 1 . 2]"
1 73 ASP 1.394 0.048 14 0 "[ . 1 . 2]"
1 74 ASP 1.380 0.048 14 0 "[ . 1 . 2]"
1 75 THR 3.457 0.180 1 0 "[ . 1 . 2]"
1 76 LYS 8.201 0.270 4 0 "[ . 1 . 2]"
1 77 VAL 4.198 0.359 12 0 "[ . 1 . 2]"
1 78 LEU 6.807 0.441 14 0 "[ . 1 . 2]"
1 79 CYS 7.276 0.325 9 0 "[ . 1 . 2]"
1 80 ARG 6.203 0.419 10 0 "[ . 1 . 2]"
1 81 ASN 5.189 0.942 19 3 "[ . 1 .-* +2]"
1 82 GLU 4.211 0.942 19 3 "[ . 1 .*- +2]"
1 83 GLU 0.996 0.081 2 0 "[ . 1 . 2]"
1 84 GLY 0.065 0.032 7 0 "[ . 1 . 2]"
1 85 LYS 0.223 0.046 17 0 "[ . 1 . 2]"
1 86 TYR 7.427 0.204 6 0 "[ . 1 . 2]"
1 87 GLY 0.262 0.059 20 0 "[ . 1 . 2]"
1 88 TYR 17.239 0.485 6 0 "[ . 1 . 2]"
1 89 VAL 0.629 0.062 12 0 "[ . 1 . 2]"
1 90 LEU 2.148 0.181 13 0 "[ . 1 . 2]"
1 91 ARG 10.788 0.433 5 0 "[ . 1 . 2]"
1 92 SER 5.498 0.433 5 0 "[ . 1 . 2]"
1 93 TYR 1.360 0.093 7 0 "[ . 1 . 2]"
1 94 LEU 7.687 0.298 17 0 "[ . 1 . 2]"
1 95 ALA 1.105 0.070 7 0 "[ . 1 . 2]"
1 96 ASP 0.659 0.152 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 GLU HA 1 25 ASP QB . . 3.600 2.609 2.236 3.112 . 0 0 "[ . 1 . 2]" 1
2 1 22 GLU HB2 1 85 LYS HB2 . . 4.410 3.234 2.043 4.159 . 0 0 "[ . 1 . 2]" 1
3 1 22 GLU HB3 1 85 LYS HB2 . . 4.620 2.686 1.958 4.203 . 0 0 "[ . 1 . 2]" 1
4 1 23 GLU HA 1 26 PHE H . . 3.540 3.301 3.039 3.573 0.033 9 0 "[ . 1 . 2]" 1
5 1 23 GLU HA 1 85 LYS HA . . 4.210 3.638 3.007 4.254 0.044 3 0 "[ . 1 . 2]" 1
6 1 23 GLU HA 1 86 TYR H . . 4.610 4.098 3.414 4.681 0.071 3 0 "[ . 1 . 2]" 1
7 1 23 GLU HA 1 86 TYR QD . . 5.500 3.424 2.437 4.086 . 0 0 "[ . 1 . 2]" 1
8 1 23 GLU HA 1 86 TYR QE . . 4.720 4.251 3.774 4.764 0.044 12 0 "[ . 1 . 2]" 1
9 1 24 LYS H 1 25 ASP HB2 . . 4.930 4.729 4.323 5.178 0.248 10 0 "[ . 1 . 2]" 1
10 1 25 ASP H 1 26 PHE H . . 4.030 2.512 2.342 2.652 . 0 0 "[ . 1 . 2]" 1
11 1 25 ASP HA 1 28 LYS H . . 5.500 3.605 3.361 3.980 . 0 0 "[ . 1 . 2]" 1
12 1 25 ASP HA 1 28 LYS QB . . 4.290 2.649 2.275 3.560 . 0 0 "[ . 1 . 2]" 1
13 1 26 PHE H 1 27 ARG H . . 3.380 2.649 2.449 2.775 . 0 0 "[ . 1 . 2]" 1
14 1 26 PHE HA 1 29 LYS H . . 4.870 3.785 3.732 3.825 . 0 0 "[ . 1 . 2]" 1
15 1 26 PHE HB2 1 86 TYR QD . . 5.130 3.736 3.454 4.155 . 0 0 "[ . 1 . 2]" 1
16 1 26 PHE HB3 1 27 ARG H . . 3.710 2.457 2.287 2.592 . 0 0 "[ . 1 . 2]" 1
17 1 26 PHE HB3 1 86 TYR QD . . 5.290 3.829 3.344 4.623 . 0 0 "[ . 1 . 2]" 1
18 1 26 PHE QD 1 27 ARG H . . 4.350 2.174 1.947 2.579 . 0 0 "[ . 1 . 2]" 1
19 1 26 PHE QD 1 27 ARG HA . . 4.930 2.933 2.705 3.131 . 0 0 "[ . 1 . 2]" 1
20 1 26 PHE QD 1 36 ILE MD . . 3.760 3.868 3.802 3.927 0.167 13 0 "[ . 1 . 2]" 1
21 1 26 PHE QD 1 78 LEU MD1 . . 5.080 3.265 2.924 3.758 . 0 0 "[ . 1 . 2]" 1
22 1 26 PHE QD 1 78 LEU MD2 . . 5.500 4.229 3.756 4.854 . 0 0 "[ . 1 . 2]" 1
23 1 26 PHE QD 1 86 TYR QB . . 3.940 1.915 1.835 2.118 . 0 0 "[ . 1 . 2]" 1
24 1 26 PHE QD 1 86 TYR QD . . 4.270 3.696 3.513 3.986 . 0 0 "[ . 1 . 2]" 1
25 1 26 PHE QE 1 32 TYR QD . . 3.740 3.627 3.551 3.732 . 0 0 "[ . 1 . 2]" 1
26 1 26 PHE QE 1 32 TYR QE . . 4.330 4.491 4.444 4.534 0.204 4 0 "[ . 1 . 2]" 1
27 1 26 PHE QE 1 36 ILE MD . . 3.280 2.434 2.331 2.613 . 0 0 "[ . 1 . 2]" 1
28 1 26 PHE QE 1 78 LEU MD1 . . 3.950 2.301 1.814 2.686 . 0 0 "[ . 1 . 2]" 1
29 1 26 PHE QE 1 78 LEU MD2 . . 3.400 2.366 1.933 3.001 . 0 0 "[ . 1 . 2]" 1
30 1 26 PHE QE 1 78 LEU HG . . 5.500 4.372 3.998 4.669 . 0 0 "[ . 1 . 2]" 1
31 1 26 PHE HZ 1 32 TYR HB3 . . 4.600 4.390 4.105 4.651 0.051 4 0 "[ . 1 . 2]" 1
32 1 26 PHE HZ 1 32 TYR QD . . 4.080 2.690 2.429 2.948 . 0 0 "[ . 1 . 2]" 1
33 1 26 PHE HZ 1 32 TYR QE . . 4.840 3.496 3.382 3.777 . 0 0 "[ . 1 . 2]" 1
34 1 26 PHE HZ 1 36 ILE MD . . 4.310 1.800 1.564 2.037 . 0 0 "[ . 1 . 2]" 1
35 1 26 PHE HZ 1 78 LEU MD1 . . 4.550 3.975 3.255 4.383 . 0 0 "[ . 1 . 2]" 1
36 1 26 PHE HZ 1 78 LEU MD2 . . 3.600 2.758 2.107 3.175 . 0 0 "[ . 1 . 2]" 1
37 1 26 PHE HZ 1 86 TYR QD . . 5.030 3.766 3.230 4.003 . 0 0 "[ . 1 . 2]" 1
38 1 27 ARG H 1 28 LYS H . . 3.920 2.615 2.597 2.656 . 0 0 "[ . 1 . 2]" 1
39 1 27 ARG H 1 30 PHE H . . 4.440 4.419 4.340 4.459 0.019 11 0 "[ . 1 . 2]" 1
40 1 27 ARG HA 1 30 PHE HB2 . . 3.850 2.366 2.264 2.501 . 0 0 "[ . 1 . 2]" 1
41 1 27 ARG HA 1 30 PHE HB3 . . 3.820 3.397 3.301 3.535 . 0 0 "[ . 1 . 2]" 1
42 1 27 ARG HA 1 32 TYR H . . 4.390 4.249 4.187 4.296 . 0 0 "[ . 1 . 2]" 1
43 1 27 ARG HA 1 32 TYR QB . . 3.700 4.988 4.941 5.038 1.338 7 20 [-*****+*************] 1
44 1 28 LYS H 1 29 LYS H . . 3.430 2.893 2.877 2.909 . 0 0 "[ . 1 . 2]" 1
45 1 28 LYS HA 1 31 LYS H . . 4.650 4.545 4.455 4.622 . 0 0 "[ . 1 . 2]" 1
46 1 29 LYS HB2 1 30 PHE QD . . 3.830 3.790 3.688 3.925 0.095 7 0 "[ . 1 . 2]" 1
47 1 29 LYS HB3 1 30 PHE QD . . 3.510 2.336 2.193 2.449 . 0 0 "[ . 1 . 2]" 1
48 1 30 PHE H 1 31 LYS H . . 3.520 2.909 2.867 2.942 . 0 0 "[ . 1 . 2]" 1
49 1 30 PHE H 1 31 LYS HA . . 4.630 4.651 4.628 4.662 0.032 10 0 "[ . 1 . 2]" 1
50 1 30 PHE HB2 1 31 LYS H . . 5.360 4.000 3.968 4.022 . 0 0 "[ . 1 . 2]" 1
51 1 30 PHE QD 1 56 ARG HG2 . . 3.710 3.567 3.352 3.798 0.088 7 0 "[ . 1 . 2]" 1
52 1 30 PHE QD 1 78 LEU MD1 . . 3.660 3.262 3.080 3.448 . 0 0 "[ . 1 . 2]" 1
53 1 30 PHE QD 1 78 LEU MD2 . . 4.420 2.774 2.509 3.187 . 0 0 "[ . 1 . 2]" 1
54 1 30 PHE QE 1 56 ARG HB2 . . 5.160 4.649 4.485 4.840 . 0 0 "[ . 1 . 2]" 1
55 1 30 PHE QE 1 56 ARG HD3 . . 5.000 3.485 2.875 4.445 . 0 0 "[ . 1 . 2]" 1
56 1 30 PHE QE 1 56 ARG HG2 . . 4.680 2.082 1.957 2.225 . 0 0 "[ . 1 . 2]" 1
57 1 30 PHE QE 1 78 LEU MD1 . . 5.500 1.775 1.422 2.058 . 0 0 "[ . 1 . 2]" 1
58 1 30 PHE QE 1 78 LEU MD2 . . 5.190 2.989 2.694 3.383 . 0 0 "[ . 1 . 2]" 1
59 1 30 PHE QE 1 87 GLY QA . . 3.880 3.696 3.345 3.887 0.007 18 0 "[ . 1 . 2]" 1
60 1 30 PHE QE 1 88 TYR QD . . 3.760 2.819 2.733 2.995 . 0 0 "[ . 1 . 2]" 1
61 1 30 PHE HZ 1 56 ARG HB2 . . 5.310 5.412 5.265 5.514 0.204 14 0 "[ . 1 . 2]" 1
62 1 30 PHE HZ 1 56 ARG HG2 . . 3.920 3.896 3.707 3.949 0.029 20 0 "[ . 1 . 2]" 1
63 1 30 PHE HZ 1 87 GLY QA . . 4.470 2.862 2.367 3.102 . 0 0 "[ . 1 . 2]" 1
64 1 30 PHE HZ 1 88 TYR HA . . 4.590 3.830 3.481 4.335 . 0 0 "[ . 1 . 2]" 1
65 1 30 PHE HZ 1 88 TYR HB2 . . 5.340 3.028 2.913 3.249 . 0 0 "[ . 1 . 2]" 1
66 1 30 PHE HZ 1 88 TYR HB3 . . 4.170 4.254 4.048 4.553 0.383 4 0 "[ . 1 . 2]" 1
67 1 31 LYS H 1 32 TYR H . . 4.950 2.957 2.951 2.962 . 0 0 "[ . 1 . 2]" 1
68 1 31 LYS HA 1 32 TYR H . . 3.120 3.136 3.122 3.146 0.026 6 0 "[ . 1 . 2]" 1
69 1 31 LYS HB2 1 32 TYR H . . 4.450 4.127 3.948 4.480 0.030 14 0 "[ . 1 . 2]" 1
70 1 31 LYS HB3 1 32 TYR H . . 4.460 4.057 3.860 4.489 0.029 3 0 "[ . 1 . 2]" 1
71 1 32 TYR H 1 33 ASP H . . 4.510 4.521 4.514 4.526 0.016 20 0 "[ . 1 . 2]" 1
72 1 32 TYR HA 1 33 ASP H . . 3.500 2.133 2.131 2.134 . 0 0 "[ . 1 . 2]" 1
73 1 32 TYR HB2 1 33 ASP H . . 4.010 4.024 4.010 4.034 0.024 14 0 "[ . 1 . 2]" 1
74 1 32 TYR HB3 1 33 ASP H . . 4.590 4.493 4.488 4.500 . 0 0 "[ . 1 . 2]" 1
75 1 32 TYR QD 1 33 ASP H . . 5.280 2.762 2.704 2.805 . 0 0 "[ . 1 . 2]" 1
76 1 32 TYR QD 1 78 LEU MD2 . . 3.820 3.399 3.272 3.575 . 0 0 "[ . 1 . 2]" 1
77 1 32 TYR QE 1 69 ILE MD . . 5.180 4.308 4.177 4.504 . 0 0 "[ . 1 . 2]" 1
78 1 32 TYR QE 1 69 ILE MG . . 4.390 3.462 3.323 3.697 . 0 0 "[ . 1 . 2]" 1
79 1 32 TYR QE 1 78 LEU MD2 . . 3.460 3.074 2.979 3.153 . 0 0 "[ . 1 . 2]" 1
80 1 33 ASP H 1 34 GLY H . . 4.350 4.117 4.108 4.125 . 0 0 "[ . 1 . 2]" 1
81 1 33 ASP HA 1 34 GLY H . . 4.180 2.187 2.184 2.188 . 0 0 "[ . 1 . 2]" 1
82 1 33 ASP HB2 1 34 GLY H . . 4.580 4.472 4.078 4.532 . 0 0 "[ . 1 . 2]" 1
83 1 33 ASP HB3 1 34 GLY H . . 4.480 4.075 3.880 4.494 0.014 14 0 "[ . 1 . 2]" 1
84 1 34 GLY H 1 35 GLU H . . 5.090 4.350 4.348 4.354 . 0 0 "[ . 1 . 2]" 1
85 1 34 GLY H 1 35 GLU HA . . 4.750 4.761 4.751 4.780 0.030 7 0 "[ . 1 . 2]" 1
86 1 34 GLY HA3 1 35 GLU H . . 3.010 2.430 2.425 2.434 . 0 0 "[ . 1 . 2]" 1
87 1 35 GLU H 1 36 ILE H . . 4.010 4.030 4.014 4.046 0.036 7 0 "[ . 1 . 2]" 1
88 1 35 GLU H 1 36 ILE HA . . 4.840 4.856 4.840 4.884 0.044 7 0 "[ . 1 . 2]" 1
89 1 35 GLU HA 1 36 ILE H . . 3.230 2.189 2.186 2.195 . 0 0 "[ . 1 . 2]" 1
90 1 35 GLU HB2 1 36 ILE H . . 4.680 4.470 3.984 4.648 . 0 0 "[ . 1 . 2]" 1
91 1 35 GLU HB3 1 36 ILE H . . 4.420 4.390 4.123 4.493 0.073 12 0 "[ . 1 . 2]" 1
92 1 36 ILE H 1 37 ARG H . . 4.360 4.377 4.364 4.388 0.028 13 0 "[ . 1 . 2]" 1
93 1 36 ILE HA 1 37 ARG H . . 3.540 2.097 2.095 2.100 . 0 0 "[ . 1 . 2]" 1
94 1 36 ILE HA 1 69 ILE MD . . 4.690 3.314 3.183 3.537 . 0 0 "[ . 1 . 2]" 1
95 1 36 ILE HA 1 70 GLN H . . 4.720 4.374 4.219 4.698 . 0 0 "[ . 1 . 2]" 1
96 1 36 ILE HB 1 37 ARG H . . 4.570 4.579 4.572 4.587 0.017 9 0 "[ . 1 . 2]" 1
97 1 36 ILE HB 1 69 ILE MD . . 4.670 4.110 3.945 4.301 . 0 0 "[ . 1 . 2]" 1
98 1 36 ILE MD 1 86 TYR QD . . 4.030 2.571 2.317 2.768 . 0 0 "[ . 1 . 2]" 1
99 1 36 ILE MD 1 86 TYR QE . . 3.520 1.875 1.591 2.283 . 0 0 "[ . 1 . 2]" 1
100 1 36 ILE MG 1 80 ARG HD2 . . 4.940 2.756 2.168 4.452 . 0 0 "[ . 1 . 2]" 1
101 1 36 ILE MG 1 80 ARG HD3 . . 4.470 3.437 2.584 4.026 . 0 0 "[ . 1 . 2]" 1
102 1 36 ILE MG 1 86 TYR QD . . 3.990 3.995 3.754 4.087 0.097 16 0 "[ . 1 . 2]" 1
103 1 36 ILE MG 1 86 TYR QE . . 3.040 1.990 1.821 2.066 . 0 0 "[ . 1 . 2]" 1
104 1 37 ARG H 1 69 ILE HA . . 4.000 3.928 3.802 4.070 0.070 19 0 "[ . 1 . 2]" 1
105 1 37 ARG H 1 70 GLN H . . 4.500 4.243 3.901 4.559 0.059 7 0 "[ . 1 . 2]" 1
106 1 38 VAL H 1 39 LEU H . . 4.270 4.262 4.167 4.285 0.015 7 0 "[ . 1 . 2]" 1
107 1 38 VAL H 1 69 ILE HA . . 4.990 4.530 4.290 4.918 . 0 0 "[ . 1 . 2]" 1
108 1 38 VAL HA 1 39 LEU H . . 3.310 2.141 2.135 2.148 . 0 0 "[ . 1 . 2]" 1
109 1 38 VAL HA 1 68 VAL H . . 4.610 4.366 4.213 4.662 0.052 12 0 "[ . 1 . 2]" 1
110 1 38 VAL HA 1 69 ILE HA . . 2.910 2.493 2.314 2.914 0.004 8 0 "[ . 1 . 2]" 1
111 1 38 VAL HA 1 69 ILE MD . . 5.000 4.860 4.562 5.078 0.078 8 0 "[ . 1 . 2]" 1
112 1 38 VAL HB 1 39 LEU H . . 4.400 4.424 4.400 4.446 0.046 10 0 "[ . 1 . 2]" 1
113 1 38 VAL QG 1 39 LEU H . . 3.670 3.230 3.215 3.255 . 0 0 "[ . 1 . 2]" 1
114 1 38 VAL QG 1 67 GLU HB3 . . 3.290 2.085 1.530 3.564 0.274 8 0 "[ . 1 . 2]" 1
115 1 38 VAL MG1 1 67 GLU QB . . 2.700 2.772 2.132 3.477 0.777 19 4 "[ . * 1* . - +2]" 1
116 1 38 VAL MG2 1 69 ILE HA . . 4.500 3.574 2.984 4.324 . 0 0 "[ . 1 . 2]" 1
117 1 39 LEU H 1 40 TYR H . . 3.790 2.280 2.248 2.312 . 0 0 "[ . 1 . 2]" 1
118 1 39 LEU H 1 69 ILE HA . . 4.100 3.374 3.281 3.489 . 0 0 "[ . 1 . 2]" 1
119 1 39 LEU HA 1 40 TYR H . . 3.530 3.530 3.527 3.535 0.005 7 0 "[ . 1 . 2]" 1
120 1 39 LEU QB 1 40 TYR H . . 3.220 2.495 2.465 2.605 . 0 0 "[ . 1 . 2]" 1
121 1 39 LEU QB 1 40 TYR QD . . 3.570 2.250 2.152 2.522 . 0 0 "[ . 1 . 2]" 1
122 1 39 LEU QB 1 40 TYR QE . . 4.130 3.977 3.917 4.005 . 0 0 "[ . 1 . 2]" 1
123 1 39 LEU MD1 1 40 TYR QD . . 3.640 3.436 3.340 4.022 0.382 9 0 "[ . 1 . 2]" 1
124 1 40 TYR H 1 41 SER H . . 3.890 3.756 3.690 3.802 . 0 0 "[ . 1 . 2]" 1
125 1 40 TYR H 1 41 SER HA . . 4.500 4.546 4.503 4.575 0.075 10 0 "[ . 1 . 2]" 1
126 1 40 TYR H 1 68 VAL H . . 4.740 4.871 4.779 5.055 0.315 12 0 "[ . 1 . 2]" 1
127 1 40 TYR H 1 69 ILE HA . . 4.750 4.658 4.552 4.754 0.004 16 0 "[ . 1 . 2]" 1
128 1 40 TYR HA 1 41 SER H . . 3.580 2.293 2.277 2.323 . 0 0 "[ . 1 . 2]" 1
129 1 40 TYR HB2 1 41 SER H . . 4.190 4.123 4.095 4.168 . 0 0 "[ . 1 . 2]" 1
130 1 40 TYR HB3 1 41 SER H . . 4.680 4.590 4.580 4.603 . 0 0 "[ . 1 . 2]" 1
131 1 40 TYR QD 1 68 VAL MG1 . . 5.150 2.605 2.574 2.666 . 0 0 "[ . 1 . 2]" 1
132 1 40 TYR QD 1 68 VAL MG2 . . 4.360 3.862 3.799 3.966 . 0 0 "[ . 1 . 2]" 1
133 1 40 TYR QD 1 71 THR MG . . 5.500 5.049 4.888 5.163 . 0 0 "[ . 1 . 2]" 1
134 1 40 TYR QE 1 68 VAL HB . . 4.210 4.091 4.028 4.151 . 0 0 "[ . 1 . 2]" 1
135 1 40 TYR QE 1 68 VAL MG1 . . 3.040 1.834 1.784 1.894 . 0 0 "[ . 1 . 2]" 1
136 1 40 TYR QE 1 68 VAL MG2 . . 3.550 3.350 3.259 3.451 . 0 0 "[ . 1 . 2]" 1
137 1 40 TYR QE 1 71 THR MG . . 3.350 3.348 3.228 3.429 0.079 18 0 "[ . 1 . 2]" 1
138 1 41 SER H 1 42 THR H . . 4.480 4.399 4.384 4.413 . 0 0 "[ . 1 . 2]" 1
139 1 41 SER H 1 67 GLU HA . . 5.030 4.835 4.728 4.999 . 0 0 "[ . 1 . 2]" 1
140 1 41 SER H 1 68 VAL H . . 4.070 3.940 3.869 4.057 . 0 0 "[ . 1 . 2]" 1
141 1 41 SER HA 1 42 THR H . . 3.210 2.109 2.107 2.114 . 0 0 "[ . 1 . 2]" 1
142 1 41 SER HA 1 42 THR HB . . 4.360 4.318 4.263 4.356 . 0 0 "[ . 1 . 2]" 1
143 1 41 SER HA 1 67 GLU HA . . 2.900 2.860 2.796 2.947 0.047 8 0 "[ . 1 . 2]" 1
144 1 41 SER HA 1 68 VAL H . . 3.600 1.507 1.404 1.635 . 0 0 "[ . 1 . 2]" 1
145 1 41 SER HA 1 68 VAL HA . . 4.090 3.965 3.889 4.066 . 0 0 "[ . 1 . 2]" 1
146 1 41 SER HA 1 68 VAL MG1 . . 4.990 3.568 3.516 3.623 . 0 0 "[ . 1 . 2]" 1
147 1 41 SER HA 1 68 VAL MG2 . . 5.060 3.133 3.061 3.214 . 0 0 "[ . 1 . 2]" 1
148 1 41 SER HB2 1 42 THR H . . 4.210 3.702 3.615 4.279 0.069 20 0 "[ . 1 . 2]" 1
149 1 41 SER HB3 1 42 THR H . . 4.410 4.337 4.211 4.454 0.044 20 0 "[ . 1 . 2]" 1
150 1 42 THR H 1 43 LYS H . . 4.690 4.600 4.586 4.611 . 0 0 "[ . 1 . 2]" 1
151 1 42 THR H 1 67 GLU HA . . 4.280 4.121 3.977 4.263 . 0 0 "[ . 1 . 2]" 1
152 1 42 THR H 1 68 VAL H . . 3.150 2.989 2.749 3.129 . 0 0 "[ . 1 . 2]" 1
153 1 42 THR H 1 68 VAL HA . . 4.170 4.035 3.969 4.153 . 0 0 "[ . 1 . 2]" 1
154 1 42 THR H 1 68 VAL MG2 . . 4.290 1.930 1.876 2.044 . 0 0 "[ . 1 . 2]" 1
155 1 42 THR HA 1 43 LYS H . . 3.220 2.335 2.314 2.347 . 0 0 "[ . 1 . 2]" 1
156 1 42 THR HA 1 43 LYS HB2 . . 4.880 4.389 4.077 4.825 . 0 0 "[ . 1 . 2]" 1
157 1 42 THR HB 1 43 LYS H . . 4.000 4.036 3.999 4.064 0.064 12 0 "[ . 1 . 2]" 1
158 1 42 THR HB 1 68 VAL MG2 . . 4.100 2.080 1.908 2.375 . 0 0 "[ . 1 . 2]" 1
159 1 42 THR MG 1 43 LYS H . . 4.350 2.894 2.708 2.988 . 0 0 "[ . 1 . 2]" 1
160 1 42 THR MG 1 43 LYS HA . . 4.880 3.640 3.580 3.692 . 0 0 "[ . 1 . 2]" 1
161 1 42 THR MG 1 68 VAL HA . . 4.830 4.250 4.116 4.574 . 0 0 "[ . 1 . 2]" 1
162 1 42 THR MG 1 68 VAL HB . . 3.870 3.469 3.414 3.618 . 0 0 "[ . 1 . 2]" 1
163 1 42 THR MG 1 68 VAL MG1 . . 4.930 3.459 3.345 3.588 . 0 0 "[ . 1 . 2]" 1
164 1 42 THR MG 1 68 VAL MG2 . . 2.600 1.554 1.489 1.693 . 0 0 "[ . 1 . 2]" 1
165 1 42 THR MG 1 95 ALA H . . 4.730 2.857 2.577 3.134 . 0 0 "[ . 1 . 2]" 1
166 1 42 THR MG 1 95 ALA MB . . 4.530 2.083 1.764 2.669 . 0 0 "[ . 1 . 2]" 1
167 1 43 LYS H 1 44 VAL H . . 4.500 4.515 4.498 4.528 0.028 2 0 "[ . 1 . 2]" 1
168 1 43 LYS HA 1 44 VAL H . . 3.190 2.149 2.135 2.160 . 0 0 "[ . 1 . 2]" 1
169 1 43 LYS HA 1 44 VAL HB . . 5.030 4.961 4.934 4.998 . 0 0 "[ . 1 . 2]" 1
170 1 43 LYS HA 1 44 VAL MG2 . . 4.130 3.161 3.147 3.177 . 0 0 "[ . 1 . 2]" 1
171 1 43 LYS HA 1 65 SER HA . . 2.980 2.373 2.193 2.632 . 0 0 "[ . 1 . 2]" 1
172 1 43 LYS HA 1 65 SER QB . . 5.490 3.291 2.826 3.993 . 0 0 "[ . 1 . 2]" 1
173 1 43 LYS HA 1 66 LEU H . . 3.820 2.866 2.622 3.087 . 0 0 "[ . 1 . 2]" 1
174 1 43 LYS HB2 1 44 VAL H . . 4.330 4.118 3.935 4.379 0.049 3 0 "[ . 1 . 2]" 1
175 1 43 LYS HB3 1 44 VAL H . . 4.150 3.766 3.054 4.162 0.012 19 0 "[ . 1 . 2]" 1
176 1 43 LYS QG 1 65 SER HA . . 3.700 2.777 2.020 3.672 . 0 0 "[ . 1 . 2]" 1
177 1 43 LYS QG 1 65 SER QB . . 3.390 2.427 1.789 3.303 . 0 0 "[ . 1 . 2]" 1
178 1 44 VAL H 1 45 THR H . . 4.640 4.529 4.441 4.626 . 0 0 "[ . 1 . 2]" 1
179 1 44 VAL H 1 64 GLU H . . 5.020 4.096 4.010 4.172 . 0 0 "[ . 1 . 2]" 1
180 1 44 VAL H 1 64 GLU HA . . 4.940 4.809 4.737 4.902 . 0 0 "[ . 1 . 2]" 1
181 1 44 VAL H 1 65 SER H . . 4.610 4.426 4.311 4.603 . 0 0 "[ . 1 . 2]" 1
182 1 44 VAL H 1 65 SER HA . . 3.520 2.294 2.123 2.520 . 0 0 "[ . 1 . 2]" 1
183 1 44 VAL H 1 66 LEU H . . 3.530 3.297 3.026 3.589 0.059 20 0 "[ . 1 . 2]" 1
184 1 44 VAL HA 1 45 THR H . . 4.290 2.123 2.094 2.213 . 0 0 "[ . 1 . 2]" 1
185 1 44 VAL HA 1 45 THR HB . . 4.560 4.322 4.159 4.545 . 0 0 "[ . 1 . 2]" 1
186 1 44 VAL HA 1 63 GLY H . . 4.490 4.354 4.190 4.490 . 0 0 "[ . 1 . 2]" 1
187 1 44 VAL HA 1 64 GLU H . . 4.760 4.702 4.560 4.784 0.024 20 0 "[ . 1 . 2]" 1
188 1 44 VAL HA 1 94 LEU HA . . 3.650 3.802 3.700 3.916 0.266 19 0 "[ . 1 . 2]" 1
189 1 44 VAL HA 1 94 LEU QD . . 3.250 3.395 3.184 3.548 0.298 17 0 "[ . 1 . 2]" 1
190 1 44 VAL HA 1 95 ALA H . . 4.070 3.535 3.074 4.034 . 0 0 "[ . 1 . 2]" 1
191 1 44 VAL HB 1 45 THR H . . 5.500 3.952 3.626 4.153 . 0 0 "[ . 1 . 2]" 1
192 1 44 VAL HB 1 45 THR HA . . 4.930 4.905 4.732 4.993 0.063 1 0 "[ . 1 . 2]" 1
193 1 44 VAL HB 1 49 THR MG . . 6.000 6.671 6.591 6.756 0.756 13 20 [*****-******+*******] 1
194 1 44 VAL HB 1 62 PRO HA . . 3.600 3.471 3.276 3.610 0.010 5 0 "[ . 1 . 2]" 1
195 1 44 VAL HB 1 64 GLU H . . 3.450 1.914 1.856 1.963 . 0 0 "[ . 1 . 2]" 1
196 1 44 VAL HB 1 64 GLU HA . . 4.870 4.168 4.042 4.311 . 0 0 "[ . 1 . 2]" 1
197 1 44 VAL MG1 1 45 THR H . . 3.360 2.755 2.282 3.047 . 0 0 "[ . 1 . 2]" 1
198 1 44 VAL MG1 1 45 THR HA . . 4.980 4.503 4.319 4.586 . 0 0 "[ . 1 . 2]" 1
199 1 44 VAL MG1 1 49 THR H . . 4.730 4.034 4.011 4.075 . 0 0 "[ . 1 . 2]" 1
200 1 44 VAL MG1 1 60 VAL MG2 . . 4.780 2.599 2.456 2.835 . 0 0 "[ . 1 . 2]" 1
201 1 44 VAL MG1 1 62 PRO HA . . 3.120 2.390 2.182 2.595 . 0 0 "[ . 1 . 2]" 1
202 1 44 VAL MG1 1 62 PRO QB . . 4.330 3.676 3.488 3.828 . 0 0 "[ . 1 . 2]" 1
203 1 44 VAL MG1 1 63 GLY H . . 3.830 2.836 2.734 2.933 . 0 0 "[ . 1 . 2]" 1
204 1 44 VAL MG1 1 64 GLU H . . 3.870 3.218 3.106 3.346 . 0 0 "[ . 1 . 2]" 1
205 1 44 VAL MG1 1 64 GLU HA . . 6.000 5.378 5.269 5.512 . 0 0 "[ . 1 . 2]" 1
206 1 44 VAL MG1 1 94 LEU HA . . 4.780 3.571 3.364 3.803 . 0 0 "[ . 1 . 2]" 1
207 1 44 VAL MG2 1 45 THR H . . 4.840 4.291 4.189 4.341 . 0 0 "[ . 1 . 2]" 1
208 1 44 VAL MG2 1 62 PRO HA . . 4.680 4.612 4.472 4.704 0.024 3 0 "[ . 1 . 2]" 1
209 1 44 VAL MG2 1 64 GLU HA . . 4.660 4.129 4.024 4.239 . 0 0 "[ . 1 . 2]" 1
210 1 44 VAL MG2 1 64 GLU QB . . 2.900 2.657 2.392 2.867 . 0 0 "[ . 1 . 2]" 1
211 1 44 VAL MG2 1 65 SER QB . . 4.330 4.014 3.865 4.113 . 0 0 "[ . 1 . 2]" 1
212 1 44 VAL MG2 1 66 LEU H . . 4.270 2.745 2.539 3.008 . 0 0 "[ . 1 . 2]" 1
213 1 45 THR H 1 46 THR H . . 4.560 4.556 4.501 4.599 0.039 17 0 "[ . 1 . 2]" 1
214 1 45 THR H 1 48 ILE H . . 4.430 4.296 4.131 4.412 . 0 0 "[ . 1 . 2]" 1
215 1 45 THR H 1 48 ILE HA . . 4.730 4.643 4.431 4.779 0.049 12 0 "[ . 1 . 2]" 1
216 1 45 THR H 1 48 ILE MG . . 5.300 4.248 3.783 4.517 . 0 0 "[ . 1 . 2]" 1
217 1 45 THR H 1 62 PRO HA . . 4.990 4.576 4.194 4.971 . 0 0 "[ . 1 . 2]" 1
218 1 45 THR H 1 63 GLY H . . 4.350 3.950 3.652 4.312 . 0 0 "[ . 1 . 2]" 1
219 1 45 THR H 1 94 LEU HA . . 5.500 3.477 3.187 3.935 . 0 0 "[ . 1 . 2]" 1
220 1 45 THR H 1 95 ALA H . . 4.470 3.724 3.372 4.460 . 0 0 "[ . 1 . 2]" 1
221 1 45 THR H 1 95 ALA HA . . 5.040 4.448 4.040 4.998 . 0 0 "[ . 1 . 2]" 1
222 1 45 THR HA 1 46 THR H . . 4.530 2.362 2.128 2.565 . 0 0 "[ . 1 . 2]" 1
223 1 45 THR HA 1 46 THR HB . . 4.520 4.442 4.320 4.586 0.066 3 0 "[ . 1 . 2]" 1
224 1 45 THR HA 1 63 GLY H . . 3.920 3.688 3.524 3.918 . 0 0 "[ . 1 . 2]" 1
225 1 45 THR HA 1 63 GLY HA2 . . 3.890 3.460 3.192 3.821 . 0 0 "[ . 1 . 2]" 1
226 1 45 THR HB 1 46 THR H . . 4.370 3.981 3.571 4.368 . 0 0 "[ . 1 . 2]" 1
227 1 45 THR HB 1 95 ALA HA . . 4.560 3.640 3.060 4.519 . 0 0 "[ . 1 . 2]" 1
228 1 45 THR MG 1 46 THR H . . 4.430 2.722 2.481 3.178 . 0 0 "[ . 1 . 2]" 1
229 1 45 THR MG 1 46 THR MG . . 4.600 3.160 2.612 3.905 . 0 0 "[ . 1 . 2]" 1
230 1 46 THR H 1 47 SER H . . 4.820 2.538 2.316 2.803 . 0 0 "[ . 1 . 2]" 1
231 1 46 THR H 1 63 GLY H . . 4.420 4.075 3.622 4.424 0.004 14 0 "[ . 1 . 2]" 1
232 1 46 THR H 1 63 GLY HA2 . . 4.270 3.618 2.870 4.230 . 0 0 "[ . 1 . 2]" 1
233 1 46 THR HA 1 47 SER H . . 3.440 3.385 3.339 3.438 . 0 0 "[ . 1 . 2]" 1
234 1 46 THR HA 1 62 PRO HA . . 3.710 3.506 3.308 3.712 0.002 14 0 "[ . 1 . 2]" 1
235 1 46 THR HA 1 62 PRO QB . . 3.600 1.965 1.843 2.278 . 0 0 "[ . 1 . 2]" 1
236 1 46 THR HA 1 62 PRO QG . . 6.000 3.799 3.675 3.998 . 0 0 "[ . 1 . 2]" 1
237 1 46 THR HA 1 63 GLY H . . 3.420 3.103 2.718 3.402 . 0 0 "[ . 1 . 2]" 1
238 1 46 THR HA 1 63 GLY HA2 . . 3.780 3.396 2.881 3.734 . 0 0 "[ . 1 . 2]" 1
239 1 46 THR HA 1 63 GLY HA3 . . 3.640 3.270 2.640 3.664 0.024 14 0 "[ . 1 . 2]" 1
240 1 46 THR HB 1 47 SER H . . 4.230 4.108 3.834 4.275 0.045 20 0 "[ . 1 . 2]" 1
241 1 46 THR MG 1 47 SER H . . 4.150 2.638 2.448 2.852 . 0 0 "[ . 1 . 2]" 1
242 1 47 SER H 1 48 ILE H . . 4.510 2.507 2.412 2.570 . 0 0 "[ . 1 . 2]" 1
243 1 47 SER H 1 48 ILE HA . . 4.730 4.654 4.531 4.725 . 0 0 "[ . 1 . 2]" 1
244 1 47 SER H 1 48 ILE HB . . 4.120 4.038 3.918 4.111 . 0 0 "[ . 1 . 2]" 1
245 1 47 SER HA 1 48 ILE H . . 3.170 3.089 3.069 3.098 . 0 0 "[ . 1 . 2]" 1
246 1 47 SER HA 1 62 PRO HB2 . . 4.540 4.232 3.744 4.554 0.014 5 0 "[ . 1 . 2]" 1
247 1 47 SER HA 1 62 PRO HB3 . . 4.260 4.080 3.862 4.275 0.015 5 0 "[ . 1 . 2]" 1
248 1 47 SER HB2 1 48 ILE H . . 4.600 4.446 4.100 4.614 0.014 4 0 "[ . 1 . 2]" 1
249 1 47 SER HB3 1 48 ILE H . . 4.230 3.957 3.830 4.264 0.034 1 0 "[ . 1 . 2]" 1
250 1 48 ILE H 1 49 THR H . . 4.680 4.596 4.584 4.606 . 0 0 "[ . 1 . 2]" 1
251 1 48 ILE H 1 62 PRO HA . . 3.430 3.238 3.028 3.447 0.017 5 0 "[ . 1 . 2]" 1
252 1 48 ILE H 1 63 GLY H . . 4.360 4.103 3.760 4.343 . 0 0 "[ . 1 . 2]" 1
253 1 48 ILE HA 1 49 THR H . . 4.560 2.482 2.460 2.516 . 0 0 "[ . 1 . 2]" 1
254 1 48 ILE HA 1 49 THR HB . . 4.600 4.654 4.596 4.691 0.091 13 0 "[ . 1 . 2]" 1
255 1 48 ILE HA 1 49 THR MG . . 4.440 4.048 3.948 4.178 . 0 0 "[ . 1 . 2]" 1
256 1 48 ILE HA 1 62 PRO HA . . 4.930 4.755 4.626 4.938 0.008 5 0 "[ . 1 . 2]" 1
257 1 48 ILE HA 1 93 TYR HA . . 3.490 3.273 3.088 3.443 . 0 0 "[ . 1 . 2]" 1
258 1 48 ILE HA 1 94 LEU H . . 4.790 4.356 4.088 4.718 . 0 0 "[ . 1 . 2]" 1
259 1 48 ILE HA 1 94 LEU HA . . 4.910 4.109 3.608 4.919 0.009 9 0 "[ . 1 . 2]" 1
260 1 48 ILE HB 1 49 THR H . . 3.950 3.888 3.845 3.915 . 0 0 "[ . 1 . 2]" 1
261 1 48 ILE MD 1 49 THR HA . . 4.460 4.271 4.208 4.323 . 0 0 "[ . 1 . 2]" 1
262 1 48 ILE MD 1 49 THR HB . . 3.940 3.715 3.603 3.780 . 0 0 "[ . 1 . 2]" 1
263 1 48 ILE MD 1 49 THR MG . . 3.300 1.691 1.674 1.735 . 0 0 "[ . 1 . 2]" 1
264 1 48 ILE MD 1 53 TRP HH2 . . 3.680 3.457 3.387 3.534 . 0 0 "[ . 1 . 2]" 1
265 1 48 ILE MD 1 53 TRP HZ2 . . 5.190 5.327 5.274 5.432 0.242 18 0 "[ . 1 . 2]" 1
266 1 48 ILE MD 1 60 VAL HB . . 3.700 3.921 3.865 4.008 0.308 20 0 "[ . 1 . 2]" 1
267 1 48 ILE MD 1 60 VAL MG2 . . 4.550 2.236 2.104 2.472 . 0 0 "[ . 1 . 2]" 1
268 1 48 ILE MD 1 93 TYR QD . . 3.950 2.044 1.860 2.184 . 0 0 "[ . 1 . 2]" 1
269 1 48 ILE MD 1 93 TYR QE . . 4.980 3.332 3.186 3.626 . 0 0 "[ . 1 . 2]" 1
270 1 48 ILE QG 1 49 THR H . . 4.960 2.747 2.615 2.887 . 0 0 "[ . 1 . 2]" 1
271 1 48 ILE QG 1 49 THR MG . . 4.030 3.563 3.457 3.650 . 0 0 "[ . 1 . 2]" 1
272 1 48 ILE HG12 1 93 TYR HA . . 4.850 3.775 3.159 4.131 . 0 0 "[ . 1 . 2]" 1
273 1 48 ILE MG 1 49 THR H . . 4.370 2.156 2.053 2.243 . 0 0 "[ . 1 . 2]" 1
274 1 48 ILE MG 1 49 THR HA . . 4.860 3.710 3.674 3.741 . 0 0 "[ . 1 . 2]" 1
275 1 48 ILE MG 1 49 THR MG . . 4.760 2.636 2.547 2.712 . 0 0 "[ . 1 . 2]" 1
276 1 48 ILE MG 1 53 TRP HH2 . . 4.480 3.107 2.999 3.201 . 0 0 "[ . 1 . 2]" 1
277 1 48 ILE MG 1 53 TRP HZ2 . . 4.760 4.316 4.265 4.361 . 0 0 "[ . 1 . 2]" 1
278 1 48 ILE MG 1 60 VAL MG2 . . 4.500 2.720 2.584 2.966 . 0 0 "[ . 1 . 2]" 1
279 1 49 THR H 1 50 SER H . . 4.570 4.484 4.469 4.511 . 0 0 "[ . 1 . 2]" 1
280 1 49 THR H 1 93 TYR HA . . 4.950 4.741 4.448 4.938 . 0 0 "[ . 1 . 2]" 1
281 1 49 THR HA 1 50 SER H . . 4.100 2.098 2.096 2.099 . 0 0 "[ . 1 . 2]" 1
282 1 49 THR HA 1 93 TYR HB2 . . 4.020 3.713 3.517 4.044 0.024 7 0 "[ . 1 . 2]" 1
283 1 49 THR HA 1 93 TYR HB3 . . 4.200 4.083 3.999 4.212 0.012 15 0 "[ . 1 . 2]" 1
284 1 49 THR HA 1 93 TYR QD . . 4.820 4.033 3.907 4.271 . 0 0 "[ . 1 . 2]" 1
285 1 49 THR HB 1 50 SER H . . 4.330 4.272 4.227 4.332 0.002 5 0 "[ . 1 . 2]" 1
286 1 49 THR HB 1 52 LYS H . . 4.850 4.731 4.651 4.820 . 0 0 "[ . 1 . 2]" 1
287 1 49 THR HB 1 93 TYR HB2 . . 3.510 3.430 3.305 3.569 0.059 15 0 "[ . 1 . 2]" 1
288 1 49 THR HB 1 93 TYR HB3 . . 4.060 3.741 3.356 4.009 . 0 0 "[ . 1 . 2]" 1
289 1 49 THR HB 1 93 TYR QD . . 3.720 2.776 2.732 2.931 . 0 0 "[ . 1 . 2]" 1
290 1 49 THR HB 1 93 TYR QE . . 3.720 2.965 2.812 3.195 . 0 0 "[ . 1 . 2]" 1
291 1 49 THR MG 1 50 SER H . . 4.680 4.158 4.095 4.208 . 0 0 "[ . 1 . 2]" 1
292 1 49 THR MG 1 50 SER HA . . 4.430 4.111 4.019 4.184 . 0 0 "[ . 1 . 2]" 1
293 1 49 THR MG 1 60 VAL MG2 . . 4.830 2.800 2.686 3.065 . 0 0 "[ . 1 . 2]" 1
294 1 49 THR MG 1 93 TYR QE . . 3.780 1.784 1.657 2.038 . 0 0 "[ . 1 . 2]" 1
295 1 50 SER H 1 51 LYS H . . 4.890 1.793 1.786 1.817 . 0 0 "[ . 1 . 2]" 1
296 1 50 SER H 1 51 LYS HA . . 4.680 4.591 4.583 4.612 . 0 0 "[ . 1 . 2]" 1
297 1 50 SER H 1 51 LYS HB3 . . 4.100 4.140 4.097 4.167 0.067 8 0 "[ . 1 . 2]" 1
298 1 50 SER HA 1 51 LYS H . . 3.450 3.454 3.448 3.459 0.009 14 0 "[ . 1 . 2]" 1
299 1 50 SER HA 1 53 TRP HE3 . . 3.760 6.205 6.155 6.251 2.491 13 20 [*****-******+*******] 1
300 1 50 SER HA 1 61 LYS HA . . 3.440 3.320 3.242 3.405 . 0 0 "[ . 1 . 2]" 1
301 1 50 SER HA 1 62 PRO HD2 . . 4.830 4.118 3.890 4.358 . 0 0 "[ . 1 . 2]" 1
302 1 50 SER HA 1 62 PRO HD3 . . 2.570 2.621 2.497 2.744 0.174 5 0 "[ . 1 . 2]" 1
303 1 50 SER HB2 1 51 LYS H . . 4.360 3.858 3.360 4.295 . 0 0 "[ . 1 . 2]" 1
304 1 50 SER HB2 1 62 PRO HD2 . . 4.640 3.508 2.643 4.466 . 0 0 "[ . 1 . 2]" 1
305 1 50 SER HB2 1 62 PRO HD3 . . 3.960 2.814 1.942 3.677 . 0 0 "[ . 1 . 2]" 1
306 1 50 SER HB3 1 51 LYS H . . 4.320 3.838 3.318 4.301 . 0 0 "[ . 1 . 2]" 1
307 1 50 SER HB3 1 62 PRO HD2 . . 4.510 3.355 2.551 4.125 . 0 0 "[ . 1 . 2]" 1
308 1 50 SER HB3 1 62 PRO HD3 . . 3.820 2.493 1.875 3.195 . 0 0 "[ . 1 . 2]" 1
309 1 51 LYS H 1 52 LYS H . . 4.110 2.126 2.113 2.150 . 0 0 "[ . 1 . 2]" 1
310 1 51 LYS H 1 52 LYS HA . . 4.800 4.812 4.802 4.828 0.028 20 0 "[ . 1 . 2]" 1
311 1 51 LYS H 1 52 LYS HB2 . . 4.120 4.069 4.018 4.150 0.030 14 0 "[ . 1 . 2]" 1
312 1 51 LYS HA 1 52 LYS H . . 3.530 3.529 3.527 3.532 0.002 15 0 "[ . 1 . 2]" 1
313 1 51 LYS HB2 1 52 LYS H . . 3.990 3.919 3.890 3.945 . 0 0 "[ . 1 . 2]" 1
314 1 51 LYS HB3 1 52 LYS H . . 3.500 3.542 3.503 3.581 0.081 2 0 "[ . 1 . 2]" 1
315 1 52 LYS H 1 53 TRP H . . 4.520 4.526 4.517 4.534 0.014 15 0 "[ . 1 . 2]" 1
316 1 52 LYS HA 1 53 TRP H . . 2.940 2.095 2.092 2.098 . 0 0 "[ . 1 . 2]" 1
317 1 52 LYS HA 1 53 TRP HB2 . . 4.430 4.449 4.435 4.463 0.033 5 0 "[ . 1 . 2]" 1
318 1 52 LYS HB2 1 53 TRP H . . 4.760 4.473 4.442 4.489 . 0 0 "[ . 1 . 2]" 1
319 1 52 LYS HB3 1 53 TRP H . . 4.550 3.826 3.762 3.931 . 0 0 "[ . 1 . 2]" 1
320 1 52 LYS HB3 1 53 TRP HA . . 4.410 4.346 4.310 4.421 0.011 9 0 "[ . 1 . 2]" 1
321 1 52 LYS QG 1 53 TRP H . . 5.310 3.086 2.739 3.644 . 0 0 "[ . 1 . 2]" 1
322 1 53 TRP H 1 54 GLY H . . 5.500 4.211 4.150 4.297 . 0 0 "[ . 1 . 2]" 1
323 1 53 TRP H 1 54 GLY HA2 . . 4.690 4.615 4.588 4.635 . 0 0 "[ . 1 . 2]" 1
324 1 53 TRP HA 1 54 GLY H . . 3.200 2.124 2.106 2.172 . 0 0 "[ . 1 . 2]" 1
325 1 53 TRP HB2 1 54 GLY H . . 4.460 4.215 4.086 4.282 . 0 0 "[ . 1 . 2]" 1
326 1 53 TRP HB2 1 54 GLY HA2 . . 5.050 4.973 4.953 4.998 . 0 0 "[ . 1 . 2]" 1
327 1 53 TRP HB3 1 54 GLY H . . 3.310 3.235 3.010 3.355 0.045 2 0 "[ . 1 . 2]" 1
328 1 53 TRP HB3 1 54 GLY HA2 . . 4.610 4.659 4.614 4.691 0.081 2 0 "[ . 1 . 2]" 1
329 1 53 TRP HB3 1 59 GLN HE21 . . 5.500 4.021 3.419 5.552 0.052 4 0 "[ . 1 . 2]" 1
330 1 53 TRP HD1 1 59 GLN QB . . 4.890 5.070 4.968 5.114 0.224 16 0 "[ . 1 . 2]" 1
331 1 53 TRP HE3 1 59 GLN HA . . 4.680 3.676 3.509 3.942 . 0 0 "[ . 1 . 2]" 1
332 1 53 TRP HH2 1 59 GLN HA . . 5.500 4.179 4.096 4.289 . 0 0 "[ . 1 . 2]" 1
333 1 53 TRP HH2 1 59 GLN QG . . 6.000 5.059 4.946 5.138 . 0 0 "[ . 1 . 2]" 1
334 1 53 TRP HH2 1 60 VAL H . . 4.080 3.512 3.471 3.627 . 0 0 "[ . 1 . 2]" 1
335 1 53 TRP HH2 1 60 VAL MG2 . . 3.410 2.271 2.205 2.335 . 0 0 "[ . 1 . 2]" 1
336 1 53 TRP HH2 1 89 VAL QG . . 5.060 4.797 4.553 5.084 0.024 20 0 "[ . 1 . 2]" 1
337 1 53 TRP HZ2 1 59 GLN HA . . 5.500 4.026 3.965 4.072 . 0 0 "[ . 1 . 2]" 1
338 1 53 TRP HZ2 1 59 GLN QB . . 5.310 5.452 5.391 5.488 0.178 10 0 "[ . 1 . 2]" 1
339 1 53 TRP HZ2 1 59 GLN QG . . 4.000 3.840 3.704 3.903 . 0 0 "[ . 1 . 2]" 1
340 1 53 TRP HZ2 1 60 VAL H . . 4.760 4.712 4.681 4.757 . 0 0 "[ . 1 . 2]" 1
341 1 53 TRP HZ2 1 60 VAL HB . . 6.000 5.917 5.809 5.987 . 0 0 "[ . 1 . 2]" 1
342 1 53 TRP HZ2 1 60 VAL MG2 . . 3.740 4.139 4.110 4.179 0.439 17 0 "[ . 1 . 2]" 1
343 1 53 TRP HZ2 1 61 LYS QE . . 5.150 4.899 4.620 5.279 0.129 14 0 "[ . 1 . 2]" 1
344 1 54 GLY H 1 57 ASP H . . 5.500 3.431 3.411 3.511 . 0 0 "[ . 1 . 2]" 1
345 1 54 GLY H 1 57 ASP HB3 . . 3.770 1.864 1.737 1.920 . 0 0 "[ . 1 . 2]" 1
346 1 56 ARG H 1 57 ASP H . . 3.940 2.375 2.356 2.395 . 0 0 "[ . 1 . 2]" 1
347 1 56 ARG HA 1 88 TYR H . . 4.820 4.511 4.118 4.832 0.012 14 0 "[ . 1 . 2]" 1
348 1 56 ARG HB2 1 88 TYR QD . . 4.020 3.619 3.465 3.790 . 0 0 "[ . 1 . 2]" 1
349 1 56 ARG HB3 1 88 TYR QD . . 3.640 1.929 1.826 2.057 . 0 0 "[ . 1 . 2]" 1
350 1 56 ARG HB3 1 88 TYR QE . . 3.760 3.890 3.825 3.976 0.216 7 0 "[ . 1 . 2]" 1
351 1 56 ARG QD 1 88 TYR QD . . 4.100 2.167 1.970 2.573 . 0 0 "[ . 1 . 2]" 1
352 1 56 ARG HD2 1 88 TYR QD . . 4.370 2.187 1.983 2.614 . 0 0 "[ . 1 . 2]" 1
353 1 56 ARG HD2 1 88 TYR QE . . 3.220 2.225 1.902 2.597 . 0 0 "[ . 1 . 2]" 1
354 1 56 ARG HD3 1 88 TYR QE . . 4.080 2.827 2.315 3.665 . 0 0 "[ . 1 . 2]" 1
355 1 56 ARG HG3 1 88 TYR QE . . 4.750 4.800 4.670 4.864 0.114 20 0 "[ . 1 . 2]" 1
356 1 57 ASP H 1 58 LEU H . . 4.540 4.546 4.541 4.552 0.012 20 0 "[ . 1 . 2]" 1
357 1 57 ASP H 1 88 TYR H . . 4.790 4.556 4.391 4.740 . 0 0 "[ . 1 . 2]" 1
358 1 57 ASP HA 1 58 LEU H . . 3.510 2.362 2.352 2.372 . 0 0 "[ . 1 . 2]" 1
359 1 57 ASP HA 1 58 LEU HB2 . . 4.180 4.100 4.076 4.123 . 0 0 "[ . 1 . 2]" 1
360 1 57 ASP HA 1 87 GLY QA . . 4.590 3.825 3.611 4.008 . 0 0 "[ . 1 . 2]" 1
361 1 57 ASP HA 1 88 TYR H . . 3.730 2.424 2.282 2.676 . 0 0 "[ . 1 . 2]" 1
362 1 57 ASP HA 1 88 TYR HA . . 4.700 4.619 4.500 4.732 0.032 9 0 "[ . 1 . 2]" 1
363 1 57 ASP HA 1 88 TYR HB2 . . 4.190 2.842 2.636 3.153 . 0 0 "[ . 1 . 2]" 1
364 1 57 ASP HA 1 89 VAL HA . . 4.760 4.530 4.158 4.758 . 0 0 "[ . 1 . 2]" 1
365 1 57 ASP HB2 1 58 LEU H . . 4.090 3.968 3.291 4.017 . 0 0 "[ . 1 . 2]" 1
366 1 57 ASP HB3 1 58 LEU H . . 3.940 2.935 2.838 3.918 . 0 0 "[ . 1 . 2]" 1
367 1 58 LEU H 1 59 GLN H . . 4.570 4.571 4.565 4.574 0.004 9 0 "[ . 1 . 2]" 1
368 1 58 LEU H 1 87 GLY QA . . 4.060 3.675 3.504 3.906 . 0 0 "[ . 1 . 2]" 1
369 1 58 LEU H 1 88 TYR H . . 4.540 3.496 3.244 3.908 . 0 0 "[ . 1 . 2]" 1
370 1 58 LEU H 1 89 VAL HA . . 4.640 4.409 4.145 4.616 . 0 0 "[ . 1 . 2]" 1
371 1 58 LEU HA 1 59 GLN H . . 3.120 2.263 2.226 2.311 . 0 0 "[ . 1 . 2]" 1
372 1 58 LEU HA 1 59 GLN HB2 . . 4.560 4.536 4.463 4.562 0.002 10 0 "[ . 1 . 2]" 1
373 1 58 LEU HA 1 59 GLN HB3 . . 4.640 4.576 4.541 4.631 . 0 0 "[ . 1 . 2]" 1
374 1 58 LEU HA 1 87 GLY QA . . 3.790 3.401 3.283 3.590 . 0 0 "[ . 1 . 2]" 1
375 1 58 LEU HB2 1 59 GLN H . . 4.190 4.138 4.088 4.179 . 0 0 "[ . 1 . 2]" 1
376 1 58 LEU HB3 1 59 GLN H . . 3.530 3.402 3.228 3.560 0.030 4 0 "[ . 1 . 2]" 1
377 1 58 LEU HB3 1 59 GLN HA . . 4.860 4.731 4.662 4.799 . 0 0 "[ . 1 . 2]" 1
378 1 58 LEU MD1 1 59 GLN H . . 3.760 3.102 2.927 3.385 . 0 0 "[ . 1 . 2]" 1
379 1 58 LEU MD1 1 81 ASN HD21 . . 5.240 4.861 3.819 5.240 0.000 2 0 "[ . 1 . 2]" 1
380 1 58 LEU MD1 1 81 ASN HD22 . . 4.700 4.086 3.255 5.347 0.647 19 3 "[ . 1 .-* +2]" 1
381 1 58 LEU MD1 1 86 TYR H . . 5.500 4.279 4.063 4.492 . 0 0 "[ . 1 . 2]" 1
382 1 58 LEU MD1 1 86 TYR HA . . 3.670 3.570 3.443 3.712 0.042 18 0 "[ . 1 . 2]" 1
383 1 58 LEU MD2 1 79 CYS QB . . 3.490 2.473 2.118 2.919 . 0 0 "[ . 1 . 2]" 1
384 1 58 LEU MD2 1 81 ASN QB . . 4.000 3.307 2.693 3.998 . 0 0 "[ . 1 . 2]" 1
385 1 58 LEU MD2 1 86 TYR HA . . 4.590 4.179 3.455 4.526 . 0 0 "[ . 1 . 2]" 1
386 1 58 LEU HG 1 59 GLN H . . 4.480 2.324 2.177 2.480 . 0 0 "[ . 1 . 2]" 1
387 1 58 LEU HG 1 59 GLN HB3 . . 4.410 4.258 4.109 4.408 . 0 0 "[ . 1 . 2]" 1
388 1 59 GLN H 1 60 VAL H . . 4.910 2.933 2.908 2.972 . 0 0 "[ . 1 . 2]" 1
389 1 59 GLN H 1 60 VAL HA . . 4.710 4.721 4.708 4.734 0.024 4 0 "[ . 1 . 2]" 1
390 1 59 GLN H 1 60 VAL MG1 . . 3.800 3.506 3.439 3.648 . 0 0 "[ . 1 . 2]" 1
391 1 59 GLN H 1 60 VAL MG2 . . 4.900 4.539 4.362 4.637 . 0 0 "[ . 1 . 2]" 1
392 1 59 GLN HA 1 60 VAL H . . 4.850 2.873 2.847 2.886 . 0 0 "[ . 1 . 2]" 1
393 1 59 GLN HA 1 60 VAL MG1 . . 4.950 4.533 4.462 4.666 . 0 0 "[ . 1 . 2]" 1
394 1 59 GLN HA 1 60 VAL MG2 . . 4.510 4.184 4.049 4.250 . 0 0 "[ . 1 . 2]" 1
395 1 59 GLN QB 1 60 VAL H . . 3.950 3.864 3.853 3.875 . 0 0 "[ . 1 . 2]" 1
396 1 59 GLN HB2 1 60 VAL H . . 4.690 4.601 4.588 4.608 . 0 0 "[ . 1 . 2]" 1
397 1 59 GLN HB3 1 60 VAL H . . 4.140 4.152 4.141 4.172 0.032 5 0 "[ . 1 . 2]" 1
398 1 59 GLN HB3 1 60 VAL HA . . 4.800 4.839 4.797 4.864 0.064 19 0 "[ . 1 . 2]" 1
399 1 59 GLN HG2 1 60 VAL H . . 5.500 4.893 4.835 5.205 . 0 0 "[ . 1 . 2]" 1
400 1 59 GLN HG3 1 60 VAL H . . 4.510 4.540 4.407 4.576 0.066 3 0 "[ . 1 . 2]" 1
401 1 60 VAL H 1 61 LYS H . . 4.640 4.643 4.641 4.646 0.006 20 0 "[ . 1 . 2]" 1
402 1 60 VAL HA 1 61 LYS H . . 4.370 2.341 2.271 2.355 . 0 0 "[ . 1 . 2]" 1
403 1 60 VAL HB 1 61 LYS H . . 3.410 2.532 2.496 2.692 . 0 0 "[ . 1 . 2]" 1
404 1 60 VAL HB 1 61 LYS HA . . 4.700 4.663 4.598 4.711 0.011 1 0 "[ . 1 . 2]" 1
405 1 60 VAL MG1 1 61 LYS H . . 4.450 3.757 3.632 3.823 . 0 0 "[ . 1 . 2]" 1
406 1 60 VAL MG1 1 66 LEU HB2 . . 4.750 3.445 2.989 4.007 . 0 0 "[ . 1 . 2]" 1
407 1 60 VAL MG1 1 66 LEU HB3 . . 4.690 3.607 3.324 3.982 . 0 0 "[ . 1 . 2]" 1
408 1 60 VAL MG2 1 61 LYS H . . 4.910 3.438 3.340 3.721 . 0 0 "[ . 1 . 2]" 1
409 1 61 LYS H 1 62 PRO HD3 . . 4.890 4.817 4.788 4.837 . 0 0 "[ . 1 . 2]" 1
410 1 61 LYS HA 1 62 PRO HB3 . . 4.920 4.927 4.919 4.933 0.013 6 0 "[ . 1 . 2]" 1
411 1 61 LYS HA 1 62 PRO HD2 . . 3.400 2.749 2.702 2.790 . 0 0 "[ . 1 . 2]" 1
412 1 61 LYS HA 1 62 PRO HD3 . . 3.530 2.023 1.998 2.047 . 0 0 "[ . 1 . 2]" 1
413 1 61 LYS HA 1 62 PRO HG2 . . 4.600 4.638 4.601 4.670 0.070 6 0 "[ . 1 . 2]" 1
414 1 61 LYS HA 1 62 PRO HG3 . . 4.230 4.251 4.228 4.271 0.041 6 0 "[ . 1 . 2]" 1
415 1 61 LYS HB2 1 62 PRO HD2 . . 4.050 3.589 2.054 4.020 . 0 0 "[ . 1 . 2]" 1
416 1 61 LYS HB2 1 62 PRO HD3 . . 4.190 4.173 3.027 4.483 0.293 18 0 "[ . 1 . 2]" 1
417 1 61 LYS HB3 1 62 PRO HD2 . . 3.910 2.663 2.113 3.965 0.055 14 0 "[ . 1 . 2]" 1
418 1 61 LYS HB3 1 62 PRO HD3 . . 4.330 3.544 3.131 4.380 0.050 14 0 "[ . 1 . 2]" 1
419 1 61 LYS HG2 1 62 PRO HD2 . . 4.640 3.522 2.842 4.600 . 0 0 "[ . 1 . 2]" 1
420 1 61 LYS HG3 1 62 PRO HD2 . . 4.550 2.738 2.055 4.505 . 0 0 "[ . 1 . 2]" 1
421 1 62 PRO HA 1 63 GLY H . . 4.120 2.123 2.116 2.132 . 0 0 "[ . 1 . 2]" 1
422 1 62 PRO HB2 1 63 GLY H . . 3.630 3.600 3.529 3.679 0.049 6 0 "[ . 1 . 2]" 1
423 1 62 PRO HB3 1 63 GLY H . . 3.950 3.898 3.847 3.955 0.005 6 0 "[ . 1 . 2]" 1
424 1 63 GLY H 1 64 GLU H . . 4.270 2.118 2.074 2.197 . 0 0 "[ . 1 . 2]" 1
425 1 63 GLY H 1 64 GLU HA . . 4.930 4.858 4.834 4.917 . 0 0 "[ . 1 . 2]" 1
426 1 63 GLY H 1 64 GLU HB2 . . 4.780 4.324 4.175 4.720 . 0 0 "[ . 1 . 2]" 1
427 1 63 GLY HA3 1 64 GLU H . . 3.420 3.361 3.318 3.398 . 0 0 "[ . 1 . 2]" 1
428 1 64 GLU H 1 65 SER H . . 4.500 4.522 4.501 4.537 0.037 20 0 "[ . 1 . 2]" 1
429 1 64 GLU HA 1 65 SER H . . 2.870 2.465 2.451 2.473 . 0 0 "[ . 1 . 2]" 1
430 1 64 GLU HB2 1 65 SER H . . 3.730 3.810 3.765 3.861 0.131 19 0 "[ . 1 . 2]" 1
431 1 64 GLU HB3 1 65 SER H . . 3.260 2.580 2.361 3.238 . 0 0 "[ . 1 . 2]" 1
432 1 64 GLU HB3 1 65 SER HA . . 4.690 4.254 4.095 4.684 . 0 0 "[ . 1 . 2]" 1
433 1 64 GLU HG2 1 65 SER H . . 4.040 3.404 2.042 4.028 . 0 0 "[ . 1 . 2]" 1
434 1 64 GLU HG3 1 65 SER H . . 4.330 2.828 1.834 4.358 0.028 16 0 "[ . 1 . 2]" 1
435 1 65 SER H 1 66 LEU H . . 4.480 4.379 4.277 4.476 . 0 0 "[ . 1 . 2]" 1
436 1 65 SER HA 1 66 LEU H . . 3.150 2.120 2.109 2.127 . 0 0 "[ . 1 . 2]" 1
437 1 65 SER HA 1 66 LEU HB3 . . 4.560 4.290 4.059 4.582 0.022 2 0 "[ . 1 . 2]" 1
438 1 65 SER QB 1 66 LEU H . . 4.360 3.296 3.137 3.724 . 0 0 "[ . 1 . 2]" 1
439 1 66 LEU H 1 67 GLU H . . 4.470 4.417 4.373 4.430 . 0 0 "[ . 1 . 2]" 1
440 1 66 LEU H 1 67 GLU HA . . 4.850 4.834 4.747 4.890 0.040 20 0 "[ . 1 . 2]" 1
441 1 66 LEU HA 1 67 GLU H . . 4.410 2.346 2.207 2.453 . 0 0 "[ . 1 . 2]" 1
442 1 66 LEU HB2 1 67 GLU H . . 3.830 3.363 2.826 3.827 . 0 0 "[ . 1 . 2]" 1
443 1 66 LEU HB2 1 79 CYS QB . . 4.180 3.884 3.660 4.482 0.302 14 0 "[ . 1 . 2]" 1
444 1 66 LEU HB3 1 67 GLU H . . 4.270 3.847 3.468 4.225 . 0 0 "[ . 1 . 2]" 1
445 1 66 LEU MD1 1 79 CYS QB . . 3.640 2.552 1.377 3.582 . 0 0 "[ . 1 . 2]" 1
446 1 66 LEU MD2 1 79 CYS QB . . 4.360 2.023 1.365 3.089 . 0 0 "[ . 1 . 2]" 1
447 1 66 LEU HG 1 67 GLU H . . 4.320 2.619 1.922 4.298 . 0 0 "[ . 1 . 2]" 1
448 1 67 GLU H 1 68 VAL H . . 4.550 4.572 4.548 4.587 0.037 4 0 "[ . 1 . 2]" 1
449 1 67 GLU H 1 80 ARG H . . 3.400 3.247 3.057 3.634 0.234 14 0 "[ . 1 . 2]" 1
450 1 67 GLU H 1 81 ASN HA . . 4.890 4.439 4.091 4.809 . 0 0 "[ . 1 . 2]" 1
451 1 67 GLU HA 1 68 VAL H . . 3.250 2.130 2.113 2.141 . 0 0 "[ . 1 . 2]" 1
452 1 67 GLU HA 1 68 VAL HB . . 4.270 4.197 4.175 4.250 . 0 0 "[ . 1 . 2]" 1
453 1 67 GLU HA 1 68 VAL MG2 . . 4.390 4.053 3.986 4.097 . 0 0 "[ . 1 . 2]" 1
454 1 67 GLU HB2 1 68 VAL H . . 4.470 4.333 3.675 4.416 . 0 0 "[ . 1 . 2]" 1
455 1 67 GLU HB3 1 68 VAL H . . 4.370 3.392 3.273 4.383 0.013 8 0 "[ . 1 . 2]" 1
456 1 67 GLU HG2 1 68 VAL H . . 4.460 3.910 3.262 4.452 . 0 0 "[ . 1 . 2]" 1
457 1 67 GLU HG3 1 68 VAL H . . 4.610 3.741 2.910 4.611 0.001 19 0 "[ . 1 . 2]" 1
458 1 68 VAL H 1 69 ILE H . . 4.520 4.455 4.419 4.497 . 0 0 "[ . 1 . 2]" 1
459 1 68 VAL HA 1 69 ILE H . . 3.460 2.115 2.105 2.135 . 0 0 "[ . 1 . 2]" 1
460 1 68 VAL HA 1 69 ILE HB . . 4.640 4.665 4.644 4.694 0.054 20 0 "[ . 1 . 2]" 1
461 1 68 VAL HA 1 69 ILE QG . . 4.570 3.466 3.401 3.527 . 0 0 "[ . 1 . 2]" 1
462 1 68 VAL HA 1 79 CYS HA . . 3.150 2.588 2.061 3.017 . 0 0 "[ . 1 . 2]" 1
463 1 68 VAL HA 1 80 ARG H . . 5.340 4.060 3.607 4.430 . 0 0 "[ . 1 . 2]" 1
464 1 68 VAL HB 1 69 ILE H . . 4.410 4.367 4.312 4.398 . 0 0 "[ . 1 . 2]" 1
465 1 68 VAL MG1 1 69 ILE H . . 3.630 2.751 2.618 2.836 . 0 0 "[ . 1 . 2]" 1
466 1 68 VAL MG1 1 77 VAL HA . . 4.340 3.792 3.570 4.068 . 0 0 "[ . 1 . 2]" 1
467 1 68 VAL MG1 1 77 VAL HB . . 3.400 2.146 1.942 2.588 . 0 0 "[ . 1 . 2]" 1
468 1 68 VAL MG1 1 77 VAL MG1 . . 4.390 2.853 2.233 3.239 . 0 0 "[ . 1 . 2]" 1
469 1 68 VAL MG1 1 77 VAL MG2 . . 4.570 3.139 2.829 3.702 . 0 0 "[ . 1 . 2]" 1
470 1 68 VAL MG1 1 79 CYS HA . . 4.700 4.632 4.093 5.011 0.311 13 0 "[ . 1 . 2]" 1
471 1 68 VAL MG2 1 77 VAL MG2 . . 4.230 2.396 2.125 3.198 . 0 0 "[ . 1 . 2]" 1
472 1 68 VAL MG2 1 79 CYS HA . . 4.230 3.597 3.338 3.864 . 0 0 "[ . 1 . 2]" 1
473 1 69 ILE H 1 70 GLN H . . 3.990 3.994 3.965 4.045 0.055 20 0 "[ . 1 . 2]" 1
474 1 69 ILE H 1 77 VAL HB . . 5.900 3.986 3.763 4.218 . 0 0 "[ . 1 . 2]" 1
475 1 69 ILE H 1 78 LEU H . . 3.760 3.468 3.257 3.753 . 0 0 "[ . 1 . 2]" 1
476 1 69 ILE H 1 78 LEU HA . . 4.740 4.632 4.545 4.729 . 0 0 "[ . 1 . 2]" 1
477 1 69 ILE H 1 79 CYS H . . 4.900 4.679 4.303 4.900 0.000 12 0 "[ . 1 . 2]" 1
478 1 69 ILE H 1 79 CYS HA . . 4.460 3.201 2.531 3.634 . 0 0 "[ . 1 . 2]" 1
479 1 69 ILE H 1 80 ARG QB . . 4.400 4.616 4.476 4.749 0.349 6 0 "[ . 1 . 2]" 1
480 1 69 ILE HA 1 70 GLN H . . 3.160 3.092 3.059 3.110 . 0 0 "[ . 1 . 2]" 1
481 1 69 ILE HB 1 70 GLN H . . 3.490 2.134 2.103 2.170 . 0 0 "[ . 1 . 2]" 1
482 1 69 ILE HB 1 70 GLN HA . . 4.610 4.635 4.615 4.650 0.040 16 0 "[ . 1 . 2]" 1
483 1 69 ILE HB 1 70 GLN HB2 . . 4.890 4.462 4.292 4.854 . 0 0 "[ . 1 . 2]" 1
484 1 69 ILE MD 1 78 LEU MD1 . . 3.670 2.533 2.164 3.068 . 0 0 "[ . 1 . 2]" 1
485 1 69 ILE MD 1 78 LEU MD2 . . 2.750 1.585 1.400 1.797 . 0 0 "[ . 1 . 2]" 1
486 1 69 ILE MD 1 80 ARG HB2 . . 4.850 2.015 1.872 2.247 . 0 0 "[ . 1 . 2]" 1
487 1 69 ILE MD 1 86 TYR QB . . 4.320 3.642 3.327 3.932 . 0 0 "[ . 1 . 2]" 1
488 1 69 ILE MD 1 86 TYR QD . . 4.000 2.109 1.925 2.299 . 0 0 "[ . 1 . 2]" 1
489 1 69 ILE MD 1 86 TYR QE . . 3.280 2.112 1.984 2.234 . 0 0 "[ . 1 . 2]" 1
490 1 69 ILE QG 1 70 GLN H . . 4.360 3.816 3.807 3.831 . 0 0 "[ . 1 . 2]" 1
491 1 69 ILE QG 1 80 ARG QD . . 4.000 3.571 2.885 4.419 0.419 10 0 "[ . 1 . 2]" 1
492 1 69 ILE HG12 1 79 CYS HA . . 4.470 4.479 3.959 4.712 0.242 13 0 "[ . 1 . 2]" 1
493 1 69 ILE HG12 1 86 TYR QD . . 5.080 4.777 4.542 5.021 . 0 0 "[ . 1 . 2]" 1
494 1 69 ILE HG12 1 86 TYR QE . . 4.250 4.351 4.211 4.448 0.198 13 0 "[ . 1 . 2]" 1
495 1 69 ILE HG13 1 79 CYS HA . . 4.760 3.156 2.595 3.490 . 0 0 "[ . 1 . 2]" 1
496 1 69 ILE HG13 1 86 TYR QD . . 4.150 4.251 4.074 4.353 0.203 6 0 "[ . 1 . 2]" 1
497 1 69 ILE MG 1 70 GLN H . . 4.210 1.145 1.111 1.195 . 0 0 "[ . 1 . 2]" 1
498 1 69 ILE MG 1 70 GLN HA . . 3.830 3.620 3.584 3.671 . 0 0 "[ . 1 . 2]" 1
499 1 69 ILE MG 1 70 GLN HB2 . . 4.810 2.598 2.369 2.758 . 0 0 "[ . 1 . 2]" 1
500 1 69 ILE MG 1 70 GLN HB3 . . 4.110 3.718 2.930 4.021 . 0 0 "[ . 1 . 2]" 1
501 1 69 ILE MG 1 78 LEU MD2 . . 4.750 2.182 2.009 2.331 . 0 0 "[ . 1 . 2]" 1
502 1 69 ILE MG 1 80 ARG QB . . 6.000 4.346 4.178 4.564 . 0 0 "[ . 1 . 2]" 1
503 1 69 ILE MG 1 86 TYR QE . . 3.600 3.692 3.410 3.804 0.204 6 0 "[ . 1 . 2]" 1
504 1 70 GLN H 1 71 THR H . . 4.580 4.589 4.581 4.593 0.013 13 0 "[ . 1 . 2]" 1
505 1 70 GLN H 1 78 LEU H . . 4.220 4.134 4.017 4.253 0.033 12 0 "[ . 1 . 2]" 1
506 1 70 GLN HA 1 71 THR H . . 4.370 2.294 2.270 2.313 . 0 0 "[ . 1 . 2]" 1
507 1 70 GLN HA 1 71 THR MG . . 3.990 3.686 3.635 3.784 . 0 0 "[ . 1 . 2]" 1
508 1 70 GLN HB2 1 71 THR H . . 5.500 3.921 3.816 4.118 . 0 0 "[ . 1 . 2]" 1
509 1 70 GLN HB3 1 71 THR H . . 3.640 2.873 2.539 3.659 0.019 18 0 "[ . 1 . 2]" 1
510 1 70 GLN HG2 1 71 THR H . . 4.790 3.990 2.288 4.737 . 0 0 "[ . 1 . 2]" 1
511 1 70 GLN HG3 1 71 THR H . . 4.980 3.894 1.878 4.921 . 0 0 "[ . 1 . 2]" 1
512 1 71 THR H 1 72 THR H . . 4.590 4.520 4.493 4.563 . 0 0 "[ . 1 . 2]" 1
513 1 71 THR HA 1 72 THR H . . 4.100 2.101 2.097 2.113 . 0 0 "[ . 1 . 2]" 1
514 1 71 THR HA 1 72 THR HB . . 4.300 4.271 4.196 4.354 0.054 20 0 "[ . 1 . 2]" 1
515 1 71 THR HA 1 76 LYS H . . 4.030 3.860 3.725 4.033 0.003 6 0 "[ . 1 . 2]" 1
516 1 71 THR HA 1 77 VAL H . . 4.990 4.758 4.590 4.931 . 0 0 "[ . 1 . 2]" 1
517 1 71 THR HA 1 77 VAL HA . . 4.280 2.559 2.255 2.798 . 0 0 "[ . 1 . 2]" 1
518 1 71 THR HA 1 77 VAL MG1 . . 3.130 3.144 2.954 3.274 0.144 12 0 "[ . 1 . 2]" 1
519 1 71 THR HA 1 78 LEU H . . 3.990 3.745 3.486 3.923 . 0 0 "[ . 1 . 2]" 1
520 1 71 THR HB 1 72 THR H . . 3.610 3.551 3.411 3.628 0.018 14 0 "[ . 1 . 2]" 1
521 1 71 THR MG 1 72 THR H . . 4.240 3.900 3.849 3.929 . 0 0 "[ . 1 . 2]" 1
522 1 72 THR H 1 73 ASP H . . 4.370 3.135 3.071 3.163 . 0 0 "[ . 1 . 2]" 1
523 1 72 THR H 1 77 VAL H . . 4.640 4.497 4.338 4.605 . 0 0 "[ . 1 . 2]" 1
524 1 72 THR H 1 77 VAL HA . . 3.690 3.164 3.002 3.340 . 0 0 "[ . 1 . 2]" 1
525 1 72 THR H 1 77 VAL MG1 . . 5.200 4.331 4.200 4.448 . 0 0 "[ . 1 . 2]" 1
526 1 72 THR H 1 78 LEU H . . 4.310 3.862 3.789 3.965 . 0 0 "[ . 1 . 2]" 1
527 1 72 THR HA 1 73 ASP H . . 3.530 3.537 3.534 3.540 0.010 14 0 "[ . 1 . 2]" 1
528 1 72 THR HB 1 73 ASP H . . 3.230 2.319 2.215 2.446 . 0 0 "[ . 1 . 2]" 1
529 1 72 THR HB 1 73 ASP HB2 . . 4.960 4.768 4.161 4.981 0.021 14 0 "[ . 1 . 2]" 1
530 1 72 THR HB 1 77 VAL HA . . 4.700 4.685 4.595 4.736 0.036 12 0 "[ . 1 . 2]" 1
531 1 72 THR MG 1 73 ASP H . . 4.470 2.239 2.038 2.413 . 0 0 "[ . 1 . 2]" 1
532 1 72 THR MG 1 73 ASP HA . . 3.510 3.349 3.259 3.448 . 0 0 "[ . 1 . 2]" 1
533 1 72 THR MG 1 73 ASP HB2 . . 4.920 2.750 2.659 2.842 . 0 0 "[ . 1 . 2]" 1
534 1 72 THR MG 1 73 ASP HB3 . . 4.200 3.146 2.830 4.054 . 0 0 "[ . 1 . 2]" 1
535 1 72 THR MG 1 88 TYR QE . . 2.900 3.334 3.230 3.385 0.485 6 0 "[ . 1 . 2]" 1
536 1 73 ASP H 1 74 ASP H . . 3.090 2.998 2.986 3.023 . 0 0 "[ . 1 . 2]" 1
537 1 73 ASP H 1 74 ASP HA . . 4.850 4.862 4.853 4.871 0.021 14 0 "[ . 1 . 2]" 1
538 1 73 ASP H 1 76 LYS QB . . 6.000 2.207 2.159 2.247 . 0 0 "[ . 1 . 2]" 1
539 1 73 ASP HA 1 74 ASP H . . 3.460 3.471 3.464 3.474 0.014 18 0 "[ . 1 . 2]" 1
540 1 73 ASP HB2 1 74 ASP H . . 3.240 3.161 2.036 3.288 0.048 14 0 "[ . 1 . 2]" 1
541 1 73 ASP HB3 1 74 ASP H . . 4.940 1.876 1.841 1.986 . 0 0 "[ . 1 . 2]" 1
542 1 73 ASP HB3 1 74 ASP HA . . 4.720 4.626 4.124 4.704 . 0 0 "[ . 1 . 2]" 1
543 1 73 ASP HB3 1 74 ASP HB2 . . 4.490 4.058 3.691 4.474 . 0 0 "[ . 1 . 2]" 1
544 1 74 ASP H 1 75 THR H . . 4.720 2.176 2.161 2.193 . 0 0 "[ . 1 . 2]" 1
545 1 74 ASP H 1 75 THR HA . . 4.610 4.617 4.611 4.627 0.017 6 0 "[ . 1 . 2]" 1
546 1 74 ASP HA 1 75 THR H . . 3.560 3.556 3.555 3.558 . 0 0 "[ . 1 . 2]" 1
547 1 74 ASP HB2 1 75 THR H . . 4.970 2.291 2.072 2.973 . 0 0 "[ . 1 . 2]" 1
548 1 74 ASP HB3 1 75 THR H . . 3.590 3.065 2.292 3.496 . 0 0 "[ . 1 . 2]" 1
549 1 74 ASP HB3 1 75 THR HA . . 4.870 4.434 4.066 4.854 . 0 0 "[ . 1 . 2]" 1
550 1 75 THR H 1 76 LYS H . . 3.290 3.451 3.437 3.470 0.180 1 0 "[ . 1 . 2]" 1
551 1 75 THR H 1 76 LYS QB . . 4.290 3.798 3.773 3.816 . 0 0 "[ . 1 . 2]" 1
552 1 75 THR HA 1 76 LYS H . . 4.400 2.416 2.404 2.437 . 0 0 "[ . 1 . 2]" 1
553 1 75 THR HA 1 76 LYS QB . . 4.940 4.427 4.416 4.436 . 0 0 "[ . 1 . 2]" 1
554 1 75 THR HA 1 91 ARG HB2 . . 4.560 4.423 4.061 4.571 0.011 14 0 "[ . 1 . 2]" 1
555 1 75 THR HA 1 91 ARG HB3 . . 3.730 3.468 3.228 3.739 0.009 13 0 "[ . 1 . 2]" 1
556 1 75 THR HB 1 76 LYS H . . 4.590 4.436 4.431 4.452 . 0 0 "[ . 1 . 2]" 1
557 1 75 THR HB 1 76 LYS HA . . 4.890 4.831 4.789 4.893 0.003 9 0 "[ . 1 . 2]" 1
558 1 75 THR HB 1 76 LYS QB . . 4.890 4.530 4.469 4.612 . 0 0 "[ . 1 . 2]" 1
559 1 75 THR HB 1 90 LEU QD . . 6.000 3.617 3.458 3.758 . 0 0 "[ . 1 . 2]" 1
560 1 75 THR MG 1 76 LYS H . . 4.060 4.057 4.028 4.085 0.025 20 0 "[ . 1 . 2]" 1
561 1 76 LYS H 1 77 VAL H . . 4.130 4.146 4.126 4.174 0.044 12 0 "[ . 1 . 2]" 1
562 1 76 LYS H 1 77 VAL HA . . 4.570 4.580 4.568 4.593 0.023 6 0 "[ . 1 . 2]" 1
563 1 76 LYS HA 1 77 VAL H . . 3.450 2.114 2.109 2.118 . 0 0 "[ . 1 . 2]" 1
564 1 76 LYS HA 1 77 VAL MG1 . . 4.580 3.460 3.233 4.165 . 0 0 "[ . 1 . 2]" 1
565 1 76 LYS HA 1 90 LEU HA . . 3.290 3.348 3.193 3.395 0.105 18 0 "[ . 1 . 2]" 1
566 1 76 LYS HA 1 90 LEU QD . . 4.220 3.469 3.095 3.649 . 0 0 "[ . 1 . 2]" 1
567 1 76 LYS HA 1 91 ARG H . . 3.800 3.134 2.772 3.256 . 0 0 "[ . 1 . 2]" 1
568 1 76 LYS HA 1 91 ARG HA . . 4.480 4.220 3.980 4.400 . 0 0 "[ . 1 . 2]" 1
569 1 76 LYS HA 1 91 ARG HB3 . . 3.330 3.465 3.066 3.600 0.270 4 0 "[ . 1 . 2]" 1
570 1 76 LYS QB 1 77 VAL H . . 4.170 3.710 3.692 3.726 . 0 0 "[ . 1 . 2]" 1
571 1 76 LYS QB 1 90 LEU QD . . 3.400 3.060 2.892 3.208 . 0 0 "[ . 1 . 2]" 1
572 1 77 VAL H 1 78 LEU H . . 4.400 4.358 4.301 4.412 0.012 14 0 "[ . 1 . 2]" 1
573 1 77 VAL H 1 78 LEU HA . . 4.850 4.817 4.754 4.879 0.029 14 0 "[ . 1 . 2]" 1
574 1 77 VAL H 1 89 VAL H . . 4.320 3.668 3.461 3.838 . 0 0 "[ . 1 . 2]" 1
575 1 77 VAL H 1 90 LEU HA . . 4.680 4.235 3.943 4.385 . 0 0 "[ . 1 . 2]" 1
576 1 77 VAL H 1 91 ARG H . . 4.740 4.537 3.935 4.737 . 0 0 "[ . 1 . 2]" 1
577 1 77 VAL H 1 91 ARG HA . . 4.870 4.691 4.269 4.889 0.019 18 0 "[ . 1 . 2]" 1
578 1 77 VAL HA 1 78 LEU H . . 3.420 2.112 2.101 2.128 . 0 0 "[ . 1 . 2]" 1
579 1 77 VAL HB 1 78 LEU H . . 3.910 3.292 3.185 3.397 . 0 0 "[ . 1 . 2]" 1
580 1 77 VAL HB 1 89 VAL QG . . 6.000 4.706 3.490 5.357 . 0 0 "[ . 1 . 2]" 1
581 1 77 VAL MG1 1 78 LEU H . . 4.350 4.009 3.535 4.173 . 0 0 "[ . 1 . 2]" 1
582 1 77 VAL MG1 1 91 ARG HA . . 4.470 4.500 4.126 4.829 0.359 12 0 "[ . 1 . 2]" 1
583 1 77 VAL MG1 1 96 ASP HA . . 6.000 5.912 5.558 6.152 0.152 12 0 "[ . 1 . 2]" 1
584 1 77 VAL MG2 1 89 VAL QG . . 4.680 2.772 1.498 3.271 . 0 0 "[ . 1 . 2]" 1
585 1 77 VAL MG2 1 91 ARG HA . . 4.700 4.115 2.996 4.538 . 0 0 "[ . 1 . 2]" 1
586 1 77 VAL MG2 1 94 LEU QD . . 4.990 1.630 1.347 2.143 . 0 0 "[ . 1 . 2]" 1
587 1 78 LEU H 1 79 CYS H . . 4.530 4.478 4.435 4.516 . 0 0 "[ . 1 . 2]" 1
588 1 78 LEU H 1 88 TYR QD . . 5.100 4.318 4.003 4.643 . 0 0 "[ . 1 . 2]" 1
589 1 78 LEU HA 1 79 CYS H . . 3.220 2.096 2.087 2.110 . 0 0 "[ . 1 . 2]" 1
590 1 78 LEU HA 1 87 GLY H . . 4.830 4.732 4.528 4.889 0.059 20 0 "[ . 1 . 2]" 1
591 1 78 LEU HA 1 88 TYR HA . . 4.020 2.413 2.201 2.592 . 0 0 "[ . 1 . 2]" 1
592 1 78 LEU HA 1 88 TYR QD . . 4.190 2.679 2.466 2.896 . 0 0 "[ . 1 . 2]" 1
593 1 78 LEU HA 1 89 VAL H . . 5.010 3.196 2.947 3.427 . 0 0 "[ . 1 . 2]" 1
594 1 78 LEU QB 1 88 TYR QE . . 3.800 2.358 2.056 2.578 . 0 0 "[ . 1 . 2]" 1
595 1 78 LEU HB2 1 79 CYS H . . 4.020 3.860 3.716 4.079 0.059 20 0 "[ . 1 . 2]" 1
596 1 78 LEU HB2 1 88 TYR QE . . 4.520 2.424 2.072 2.770 . 0 0 "[ . 1 . 2]" 1
597 1 78 LEU HB3 1 79 CYS H . . 4.540 4.446 4.343 4.496 . 0 0 "[ . 1 . 2]" 1
598 1 78 LEU HB3 1 88 TYR QD . . 4.140 3.760 3.076 4.473 0.333 14 0 "[ . 1 . 2]" 1
599 1 78 LEU HB3 1 88 TYR QE . . 3.570 3.348 3.039 4.011 0.441 14 0 "[ . 1 . 2]" 1
600 1 78 LEU MD1 1 79 CYS H . . 4.950 2.408 1.981 2.843 . 0 0 "[ . 1 . 2]" 1
601 1 78 LEU MD1 1 86 TYR QB . . 5.050 1.862 1.589 2.038 . 0 0 "[ . 1 . 2]" 1
602 1 78 LEU MD1 1 86 TYR QD . . 5.000 2.043 1.807 2.701 . 0 0 "[ . 1 . 2]" 1
603 1 78 LEU MD1 1 87 GLY H . . 4.220 2.120 1.896 2.317 . 0 0 "[ . 1 . 2]" 1
604 1 78 LEU MD1 1 87 GLY QA . . 4.990 3.317 3.134 3.524 . 0 0 "[ . 1 . 2]" 1
605 1 78 LEU MD1 1 88 TYR HA . . 4.700 3.213 2.864 3.510 . 0 0 "[ . 1 . 2]" 1
606 1 78 LEU MD1 1 88 TYR QD . . 3.720 3.357 2.905 3.617 . 0 0 "[ . 1 . 2]" 1
607 1 78 LEU MD1 1 88 TYR QE . . 3.700 3.517 3.062 3.756 0.056 3 0 "[ . 1 . 2]" 1
608 1 78 LEU MD2 1 79 CYS H . . 4.590 4.788 4.598 4.915 0.325 9 0 "[ . 1 . 2]" 1
609 1 78 LEU MD2 1 86 TYR QD . . 4.540 2.202 1.918 2.460 . 0 0 "[ . 1 . 2]" 1
610 1 78 LEU MD2 1 88 TYR QE . . 4.590 3.180 2.934 3.373 . 0 0 "[ . 1 . 2]" 1
611 1 78 LEU HG 1 79 CYS H . . 3.860 3.633 3.355 3.819 . 0 0 "[ . 1 . 2]" 1
612 1 78 LEU HG 1 79 CYS HA . . 4.160 4.031 3.858 4.176 0.016 16 0 "[ . 1 . 2]" 1
613 1 78 LEU HG 1 88 TYR QE . . 5.010 5.049 4.844 5.201 0.191 13 0 "[ . 1 . 2]" 1
614 1 79 CYS H 1 80 ARG H . . 4.560 4.584 4.558 4.593 0.033 13 0 "[ . 1 . 2]" 1
615 1 79 CYS H 1 87 GLY H . . 4.660 3.570 3.208 3.862 . 0 0 "[ . 1 . 2]" 1
616 1 79 CYS H 1 87 GLY QA . . 4.820 4.183 3.951 4.508 . 0 0 "[ . 1 . 2]" 1
617 1 79 CYS H 1 88 TYR HA . . 3.410 3.177 2.914 3.414 0.004 9 0 "[ . 1 . 2]" 1
618 1 79 CYS H 1 88 TYR QD . . 5.190 4.348 4.078 4.745 . 0 0 "[ . 1 . 2]" 1
619 1 79 CYS H 1 89 VAL H . . 4.250 4.089 3.850 4.265 0.015 7 0 "[ . 1 . 2]" 1
620 1 79 CYS HA 1 80 ARG H . . 4.350 2.311 2.253 2.353 . 0 0 "[ . 1 . 2]" 1
621 1 79 CYS HA 1 80 ARG HB2 . . 5.090 4.012 3.991 4.040 . 0 0 "[ . 1 . 2]" 1
622 1 79 CYS HA 1 80 ARG HB3 . . 5.110 4.989 4.943 5.036 . 0 0 "[ . 1 . 2]" 1
623 1 79 CYS QB 1 80 ARG H . . 3.610 2.894 2.511 3.360 . 0 0 "[ . 1 . 2]" 1
624 1 79 CYS QB 1 89 VAL QG . . 3.650 2.697 2.027 3.526 . 0 0 "[ . 1 . 2]" 1
625 1 80 ARG H 1 81 ASN H . . 4.490 4.383 4.290 4.420 . 0 0 "[ . 1 . 2]" 1
626 1 80 ARG H 1 81 ASN HA . . 4.850 4.787 4.750 4.803 . 0 0 "[ . 1 . 2]" 1
627 1 80 ARG HA 1 81 ASN H . . 3.180 2.181 2.131 2.214 . 0 0 "[ . 1 . 2]" 1
628 1 80 ARG HA 1 86 TYR HA . . 3.170 2.499 2.221 2.768 . 0 0 "[ . 1 . 2]" 1
629 1 80 ARG HA 1 86 TYR QD . . 4.960 3.963 3.694 4.329 . 0 0 "[ . 1 . 2]" 1
630 1 80 ARG HA 1 87 GLY H . . 3.750 3.579 3.351 3.740 . 0 0 "[ . 1 . 2]" 1
631 1 80 ARG HB2 1 81 ASN H . . 4.380 4.249 4.183 4.352 . 0 0 "[ . 1 . 2]" 1
632 1 80 ARG HB2 1 86 TYR QD . . 4.060 3.973 3.773 4.117 0.057 19 0 "[ . 1 . 2]" 1
633 1 80 ARG HB3 1 81 ASN H . . 3.790 3.582 3.488 3.782 . 0 0 "[ . 1 . 2]" 1
634 1 80 ARG HB3 1 81 ASN HA . . 4.460 4.392 4.362 4.464 0.004 2 0 "[ . 1 . 2]" 1
635 1 80 ARG HD2 1 86 TYR QE . . 4.480 2.396 1.919 4.072 . 0 0 "[ . 1 . 2]" 1
636 1 80 ARG HD3 1 86 TYR QE . . 3.770 3.400 2.104 3.792 0.022 9 0 "[ . 1 . 2]" 1
637 1 80 ARG HG2 1 81 ASN H . . 4.690 2.377 2.190 2.693 . 0 0 "[ . 1 . 2]" 1
638 1 80 ARG HG2 1 81 ASN HA . . 4.750 4.623 4.547 4.710 . 0 0 "[ . 1 . 2]" 1
639 1 80 ARG HG3 1 81 ASN H . . 3.800 3.594 3.296 3.840 0.040 10 0 "[ . 1 . 2]" 1
640 1 80 ARG HG3 1 86 TYR QB . . 4.600 3.714 3.578 3.855 . 0 0 "[ . 1 . 2]" 1
641 1 81 ASN H 1 82 GLU H . . 4.480 4.441 4.385 4.480 0.000 3 0 "[ . 1 . 2]" 1
642 1 81 ASN H 1 84 GLY H . . 4.570 4.246 3.871 4.527 . 0 0 "[ . 1 . 2]" 1
643 1 81 ASN H 1 86 TYR HA . . 3.780 3.276 2.885 3.792 0.012 9 0 "[ . 1 . 2]" 1
644 1 81 ASN HA 1 82 GLU H . . 4.230 2.176 2.134 2.239 . 0 0 "[ . 1 . 2]" 1
645 1 81 ASN HB2 1 82 GLU H . . 4.330 3.381 2.833 4.324 . 0 0 "[ . 1 . 2]" 1
646 1 81 ASN HB3 1 82 GLU H . . 4.000 3.675 2.997 4.031 0.031 16 0 "[ . 1 . 2]" 1
647 1 81 ASN HD21 1 82 GLU QB . . 5.300 5.430 5.117 6.242 0.942 19 3 "[ . 1 .*- +2]" 1
648 1 82 GLU H 1 83 GLU H . . 4.000 2.679 2.664 2.692 . 0 0 "[ . 1 . 2]" 1
649 1 82 GLU H 1 83 GLU HB2 . . 4.990 4.612 4.488 4.983 . 0 0 "[ . 1 . 2]" 1
650 1 82 GLU HA 1 83 GLU H . . 3.310 3.357 3.311 3.391 0.081 2 0 "[ . 1 . 2]" 1
651 1 82 GLU HB2 1 83 GLU H . . 4.310 3.840 3.315 4.366 0.056 10 0 "[ . 1 . 2]" 1
652 1 82 GLU HB3 1 83 GLU H . . 4.080 3.491 3.179 4.084 0.004 10 0 "[ . 1 . 2]" 1
653 1 83 GLU H 1 84 GLY H . . 3.410 2.593 2.447 2.658 . 0 0 "[ . 1 . 2]" 1
654 1 83 GLU H 1 84 GLY HA3 . . 5.500 5.262 5.131 5.318 . 0 0 "[ . 1 . 2]" 1
655 1 83 GLU HA 1 84 GLY H . . 3.370 3.304 3.271 3.339 . 0 0 "[ . 1 . 2]" 1
656 1 83 GLU HB2 1 84 GLY H . . 4.330 3.992 3.831 4.302 . 0 0 "[ . 1 . 2]" 1
657 1 83 GLU HB3 1 84 GLY H . . 3.680 3.512 3.385 3.599 . 0 0 "[ . 1 . 2]" 1
658 1 84 GLY H 1 85 LYS H . . 4.420 2.295 2.221 2.450 . 0 0 "[ . 1 . 2]" 1
659 1 84 GLY HA2 1 85 LYS H . . 3.270 3.098 2.968 3.262 . 0 0 "[ . 1 . 2]" 1
660 1 84 GLY HA2 1 85 LYS HA . . 4.530 4.470 4.427 4.562 0.032 7 0 "[ . 1 . 2]" 1
661 1 84 GLY HA3 1 85 LYS H . . 3.460 3.388 3.259 3.465 0.005 9 0 "[ . 1 . 2]" 1
662 1 84 GLY HA3 1 85 LYS HA . . 4.560 4.517 4.456 4.539 . 0 0 "[ . 1 . 2]" 1
663 1 85 LYS H 1 86 TYR H . . 4.530 4.453 4.333 4.556 0.026 18 0 "[ . 1 . 2]" 1
664 1 85 LYS HA 1 86 TYR H . . 3.080 2.219 2.093 2.307 . 0 0 "[ . 1 . 2]" 1
665 1 85 LYS HA 1 86 TYR QB . . 4.330 4.148 4.102 4.192 . 0 0 "[ . 1 . 2]" 1
666 1 85 LYS HA 1 86 TYR QD . . 4.220 2.619 2.306 2.924 . 0 0 "[ . 1 . 2]" 1
667 1 85 LYS HB2 1 86 TYR H . . 4.440 3.855 3.437 4.417 . 0 0 "[ . 1 . 2]" 1
668 1 85 LYS HB3 1 86 TYR H . . 4.440 4.022 3.244 4.462 0.022 17 0 "[ . 1 . 2]" 1
669 1 85 LYS HG2 1 86 TYR H . . 3.940 2.678 1.839 3.986 0.046 17 0 "[ . 1 . 2]" 1
670 1 85 LYS HG3 1 86 TYR H . . 4.390 3.096 1.892 4.337 . 0 0 "[ . 1 . 2]" 1
671 1 86 TYR H 1 87 GLY H . . 4.590 4.526 4.493 4.574 . 0 0 "[ . 1 . 2]" 1
672 1 86 TYR HA 1 87 GLY H . . 3.300 2.349 2.251 2.429 . 0 0 "[ . 1 . 2]" 1
673 1 86 TYR QB 1 87 GLY H . . 4.160 2.505 2.317 2.762 . 0 0 "[ . 1 . 2]" 1
674 1 86 TYR QB 1 87 GLY QA . . 4.230 3.670 3.634 3.713 . 0 0 "[ . 1 . 2]" 1
675 1 86 TYR QD 1 87 GLY H . . 5.500 3.940 3.801 4.122 . 0 0 "[ . 1 . 2]" 1
676 1 87 GLY H 1 88 TYR H . . 4.380 4.385 4.378 4.391 0.011 2 0 "[ . 1 . 2]" 1
677 1 87 GLY H 1 88 TYR HA . . 4.780 4.693 4.681 4.702 . 0 0 "[ . 1 . 2]" 1
678 1 87 GLY QA 1 88 TYR H . . 3.350 2.214 2.207 2.225 . 0 0 "[ . 1 . 2]" 1
679 1 87 GLY QA 1 88 TYR HA . . 4.370 3.975 3.974 3.976 . 0 0 "[ . 1 . 2]" 1
680 1 87 GLY QA 1 88 TYR HB2 . . 4.210 3.970 3.918 4.044 . 0 0 "[ . 1 . 2]" 1
681 1 88 TYR H 1 89 VAL H . . 4.560 4.564 4.557 4.576 0.016 7 0 "[ . 1 . 2]" 1
682 1 88 TYR HA 1 89 VAL H . . 3.270 2.258 2.237 2.275 . 0 0 "[ . 1 . 2]" 1
683 1 88 TYR HA 1 89 VAL HB . . 4.800 4.700 4.104 4.862 0.062 12 0 "[ . 1 . 2]" 1
684 1 88 TYR HB2 1 89 VAL H . . 4.110 4.083 4.012 4.145 0.035 17 0 "[ . 1 . 2]" 1
685 1 88 TYR HB2 1 89 VAL HA . . 5.020 4.929 4.821 4.996 . 0 0 "[ . 1 . 2]" 1
686 1 88 TYR HB3 1 89 VAL H . . 4.400 2.856 2.785 2.938 . 0 0 "[ . 1 . 2]" 1
687 1 88 TYR HB3 1 89 VAL HA . . 4.270 4.121 4.073 4.230 . 0 0 "[ . 1 . 2]" 1
688 1 88 TYR QD 1 89 VAL H . . 4.270 3.030 2.888 3.225 . 0 0 "[ . 1 . 2]" 1
689 1 89 VAL H 1 90 LEU H . . 4.280 4.202 4.179 4.258 . 0 0 "[ . 1 . 2]" 1
690 1 89 VAL H 1 90 LEU HA . . 4.680 4.606 4.576 4.688 0.008 9 0 "[ . 1 . 2]" 1
691 1 89 VAL HA 1 90 LEU H . . 3.350 2.104 2.100 2.107 . 0 0 "[ . 1 . 2]" 1
692 1 89 VAL HA 1 90 LEU HB2 . . 4.130 4.139 4.128 4.147 0.017 6 0 "[ . 1 . 2]" 1
693 1 89 VAL HB 1 90 LEU H . . 4.360 4.069 3.956 4.388 0.028 17 0 "[ . 1 . 2]" 1
694 1 89 VAL HB 1 94 LEU QB . . 4.630 3.617 3.121 4.421 . 0 0 "[ . 1 . 2]" 1
695 1 89 VAL QG 1 90 LEU H . . 4.390 2.752 2.714 2.806 . 0 0 "[ . 1 . 2]" 1
696 1 89 VAL QG 1 94 LEU QB . . 4.890 2.264 1.783 3.030 . 0 0 "[ . 1 . 2]" 1
697 1 90 LEU H 1 91 ARG H . . 4.690 4.607 4.592 4.617 . 0 0 "[ . 1 . 2]" 1
698 1 90 LEU H 1 93 TYR H . . 4.670 4.469 4.375 4.617 . 0 0 "[ . 1 . 2]" 1
699 1 90 LEU H 1 93 TYR QD . . 4.890 4.237 3.988 4.421 . 0 0 "[ . 1 . 2]" 1
700 1 90 LEU HA 1 91 ARG H . . 3.320 2.179 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
701 1 90 LEU HA 1 91 ARG HB3 . . 4.690 4.420 4.289 4.604 . 0 0 "[ . 1 . 2]" 1
702 1 90 LEU HB2 1 91 ARG H . . 4.340 4.266 4.243 4.327 . 0 0 "[ . 1 . 2]" 1
703 1 90 LEU HB2 1 93 TYR HE1 . . 4.730 4.432 3.963 4.763 0.033 11 0 "[ . 1 . 2]" 1
704 1 90 LEU HB2 1 93 TYR HE2 . . 4.620 3.579 3.416 3.878 . 0 0 "[ . 1 . 2]" 1
705 1 90 LEU HB3 1 91 ARG H . . 3.740 3.591 3.538 3.701 . 0 0 "[ . 1 . 2]" 1
706 1 90 LEU QD 1 91 ARG H . . 4.130 1.619 1.561 1.749 . 0 0 "[ . 1 . 2]" 1
707 1 90 LEU QD 1 91 ARG HA . . 4.340 3.795 3.769 3.856 . 0 0 "[ . 1 . 2]" 1
708 1 90 LEU QD 1 91 ARG HB2 . . 4.720 4.134 4.041 4.236 . 0 0 "[ . 1 . 2]" 1
709 1 90 LEU QD 1 91 ARG HB3 . . 4.010 3.249 3.093 3.409 . 0 0 "[ . 1 . 2]" 1
710 1 90 LEU QD 1 91 ARG HG2 . . 4.300 2.834 2.344 3.508 . 0 0 "[ . 1 . 2]" 1
711 1 90 LEU QD 1 91 ARG HG3 . . 3.730 2.509 2.055 3.911 0.181 13 0 "[ . 1 . 2]" 1
712 1 90 LEU QD 1 93 TYR QD . . 4.180 4.149 4.006 4.273 0.093 7 0 "[ . 1 . 2]" 1
713 1 90 LEU QD 1 93 TYR QE . . 3.710 3.279 3.101 3.413 . 0 0 "[ . 1 . 2]" 1
714 1 90 LEU HG 1 91 ARG H . . 4.020 3.890 3.821 4.042 0.022 12 0 "[ . 1 . 2]" 1
715 1 91 ARG H 1 92 SER H . . 4.110 2.637 2.618 2.660 . 0 0 "[ . 1 . 2]" 1
716 1 91 ARG HA 1 92 SER H . . 3.400 3.419 3.399 3.434 0.034 20 0 "[ . 1 . 2]" 1
717 1 91 ARG HA 1 94 LEU QD . . 3.350 2.374 1.714 3.403 0.053 12 0 "[ . 1 . 2]" 1
718 1 91 ARG HB2 1 92 SER H . . 4.920 4.148 3.983 4.273 . 0 0 "[ . 1 . 2]" 1
719 1 91 ARG HB3 1 92 SER H . . 4.150 3.979 3.855 4.121 . 0 0 "[ . 1 . 2]" 1
720 1 91 ARG HG2 1 92 SER H . . 3.990 3.549 2.684 3.867 . 0 0 "[ . 1 . 2]" 1
721 1 91 ARG HG2 1 92 SER HA . . 4.680 4.585 2.815 5.113 0.433 5 0 "[ . 1 . 2]" 1
722 1 91 ARG HG3 1 92 SER H . . 3.880 2.478 2.082 4.286 0.406 12 0 "[ . 1 . 2]" 1
723 1 92 SER H 1 93 TYR H . . 4.110 2.970 2.955 2.991 . 0 0 "[ . 1 . 2]" 1
724 1 92 SER HA 1 93 TYR H . . 3.550 3.552 3.551 3.553 0.003 20 0 "[ . 1 . 2]" 1
725 1 92 SER HB2 1 93 TYR H . . 3.700 3.552 3.103 3.768 0.068 4 0 "[ . 1 . 2]" 1
726 1 92 SER HB3 1 93 TYR H . . 4.330 2.253 2.131 2.332 . 0 0 "[ . 1 . 2]" 1
727 1 92 SER HB3 1 93 TYR HA . . 4.770 4.529 4.175 4.793 0.023 4 0 "[ . 1 . 2]" 1
728 1 92 SER HB3 1 93 TYR HB3 . . 4.340 4.014 3.542 4.338 . 0 0 "[ . 1 . 2]" 1
729 1 93 TYR H 1 94 LEU H . . 3.880 3.752 3.684 3.802 . 0 0 "[ . 1 . 2]" 1
730 1 93 TYR HA 1 94 LEU H . . 4.320 2.341 2.319 2.370 . 0 0 "[ . 1 . 2]" 1
731 1 93 TYR HB2 1 94 LEU H . . 4.240 4.163 4.138 4.199 . 0 0 "[ . 1 . 2]" 1
732 1 93 TYR HB2 1 94 LEU HA . . 4.620 4.568 4.516 4.609 . 0 0 "[ . 1 . 2]" 1
733 1 93 TYR HB3 1 94 LEU H . . 4.520 4.545 4.523 4.567 0.047 10 0 "[ . 1 . 2]" 1
734 1 93 TYR QE 1 94 LEU QB . . 5.500 4.847 4.664 5.260 . 0 0 "[ . 1 . 2]" 1
735 1 94 LEU H 1 95 ALA H . . 4.300 4.324 4.201 4.370 0.070 7 0 "[ . 1 . 2]" 1
736 1 94 LEU H 1 95 ALA HA . . 4.710 4.698 4.608 4.743 0.033 14 0 "[ . 1 . 2]" 1
737 1 94 LEU HA 1 95 ALA H . . 4.570 2.411 2.168 2.553 . 0 0 "[ . 1 . 2]" 1
738 1 94 LEU QB 1 95 ALA H . . 3.880 3.083 2.520 3.557 . 0 0 "[ . 1 . 2]" 1
739 1 94 LEU QD 1 95 ALA H . . 3.850 1.241 1.048 1.426 . 0 0 "[ . 1 . 2]" 1
740 1 94 LEU HG 1 95 ALA H . . 4.160 2.971 2.164 4.157 . 0 0 "[ . 1 . 2]" 1
741 1 95 ALA HA 1 96 ASP H . . 3.050 2.481 2.397 2.529 . 0 0 "[ . 1 . 2]" 1
742 1 95 ALA MB 1 96 ASP H . . 3.500 2.216 2.136 2.366 . 0 0 "[ . 1 . 2]" 1
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