NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386015 |
1lc1   |
5372 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lc1
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 1555
_Distance_constraint_stats_list.Viol_count 161
_Distance_constraint_stats_list.Viol_total 31.424
_Distance_constraint_stats_list.Viol_max 1.514
_Distance_constraint_stats_list.Viol_rms 0.1003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0202
_Distance_constraint_stats_list.Viol_average_violations_only 0.1952
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 1.260 1.260 1 1 [+]
1 2 ASP 0.042 0.042 1 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.277 0.060 1 0 "[ ]"
1 5 LYS 0.934 0.762 1 1 [+]
1 6 GLY 0.236 0.091 1 0 "[ ]"
1 7 LYS 2.320 1.514 1 1 [+]
1 8 LYS 2.086 1.514 1 1 [+]
1 9 ILE 0.039 0.025 1 0 "[ ]"
1 10 PHE 0.426 0.115 1 0 "[ ]"
1 11 VAL 0.242 0.155 1 0 "[ ]"
1 12 GLN 1.277 0.429 1 0 "[ ]"
1 13 LYS 0.799 0.429 1 0 "[ ]"
1 14 CYS 0.409 0.155 1 0 "[ ]"
1 15 ALA 0.293 0.206 1 0 "[ ]"
1 16 GLN 0.125 0.070 1 0 "[ ]"
1 17 CYS 0.143 0.078 1 0 "[ ]"
1 18 HIS 0.640 0.480 1 0 "[ ]"
1 19 THR 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.123 0.123 1 0 "[ ]"
1 25 LYS 0.650 0.227 1 0 "[ ]"
1 26 HIS 0.789 0.753 1 1 [+]
1 27 LYS 0.313 0.313 1 0 "[ ]"
1 28 THR 0.313 0.313 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 PRO 1.443 0.860 1 1 [+]
1 31 ASN 0.997 0.480 1 0 "[ ]"
1 32 LEU 0.055 0.042 1 0 "[ ]"
1 33 HIS 0.571 0.401 1 0 "[ ]"
1 34 GLY 0.401 0.401 1 0 "[ ]"
1 35 LEU 0.225 0.167 1 0 "[ ]"
1 36 PHE 0.832 0.671 1 1 [+]
1 37 GLY 0.547 0.455 1 0 "[ ]"
1 38 ARG 1.319 0.455 1 0 "[ ]"
1 39 LYS 0.249 0.249 1 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 41 GLY 1.231 0.823 1 1 [+]
1 42 GLN 0.206 0.206 1 0 "[ ]"
1 43 ALA 0.201 0.151 1 0 "[ ]"
1 44 PRO 1.615 0.753 1 1 [+]
1 45 GLY 0.000 0.000 . 0 "[ ]"
1 46 PHE 1.306 0.351 1 0 "[ ]"
1 47 THR 0.400 0.351 1 0 "[ ]"
1 48 TYR 0.781 0.322 1 0 "[ ]"
1 49 THR 0.119 0.109 1 0 "[ ]"
1 50 ASP 0.321 0.321 1 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 ASN 0.123 0.109 1 0 "[ ]"
1 53 LYS 1.178 0.860 1 1 [+]
1 54 ASN 0.823 0.823 1 1 [+]
1 55 LYS 0.270 0.270 1 0 "[ ]"
1 56 GLY 0.210 0.202 1 0 "[ ]"
1 57 ILE 0.040 0.040 1 0 "[ ]"
1 58 THR 0.408 0.408 1 0 "[ ]"
1 59 TRP 0.089 0.040 1 0 "[ ]"
1 60 LYS 0.076 0.059 1 0 "[ ]"
1 61 GLU 1.603 0.788 1 1 [+]
1 62 GLU 1.499 0.788 1 1 [+]
1 63 THR 0.221 0.168 1 0 "[ ]"
1 64 LEU 0.577 0.162 1 0 "[ ]"
1 65 MET 0.245 0.136 1 0 "[ ]"
1 66 GLU 0.739 0.269 1 0 "[ ]"
1 67 TYR 0.750 0.168 1 0 "[ ]"
1 68 LEU 0.085 0.044 1 0 "[ ]"
1 69 GLU 0.472 0.136 1 0 "[ ]"
1 70 ASN 0.321 0.153 1 0 "[ ]"
1 71 PRO 0.879 0.824 1 1 [+]
1 72 LYS 0.977 0.646 1 1 [+]
1 73 LYS 0.274 0.237 1 0 "[ ]"
1 74 TYR 0.581 0.237 1 0 "[ ]"
1 75 ILE 0.432 0.398 1 0 "[ ]"
1 76 PRO 0.398 0.398 1 0 "[ ]"
1 77 GLY 0.255 0.245 1 0 "[ ]"
1 78 THR 0.245 0.245 1 0 "[ ]"
1 79 LYS 1.412 0.824 1 1 [+]
1 80 MET 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.000 0.000 . 0 "[ ]"
1 82 PHE 0.950 0.646 1 1 [+]
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 GLY 0.000 0.000 . 0 "[ ]"
1 85 ILE 1.251 0.675 1 1 [+]
1 86 LYS 0.666 0.478 1 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
1 88 LYS 0.368 0.368 1 0 "[ ]"
1 89 THR 0.000 0.000 . 0 "[ ]"
1 90 GLU 0.278 0.202 1 0 "[ ]"
1 91 ARG 0.988 0.675 1 1 [+]
1 92 GLU 2.730 1.260 1 1 [+]
1 93 ASP 1.457 0.852 1 1 [+]
1 94 LEU 0.149 0.079 1 0 "[ ]"
1 95 ILE 0.314 0.167 1 0 "[ ]"
1 96 ALA 0.264 0.218 1 0 "[ ]"
1 97 TYR 0.161 0.079 1 0 "[ ]"
1 98 LEU 0.000 0.000 . 0 "[ ]"
1 99 LYS 0.897 0.671 1 1 [+]
1 100 LYS 0.850 0.298 1 0 "[ ]"
1 101 ALA 0.853 0.853 1 1 [+]
1 102 THR 0.030 0.030 1 0 "[ ]"
1 103 ASN 0.720 0.694 1 1 [+]
1 104 GLU 1.548 0.853 1 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 1 GLY QA 1 2 ASP H . . 3.690 2.411 2.411 2.411 . 0 0 "[ ]" 1
2 1 1 GLY QA 1 92 GLU QB . . 4.970 3.735 3.735 3.735 . 0 0 "[ ]" 1
3 1 1 GLY QA 1 92 GLU QG . . 3.790 5.050 5.050 5.050 1.260 1 1 [+] 1
4 1 1 GLY QA 1 96 ALA MB . . 6.730 4.505 4.505 4.505 . 0 0 "[ ]" 1
5 1 2 ASP H 1 2 ASP HB2 . . 3.290 2.707 2.707 2.707 . 0 0 "[ ]" 1
6 1 2 ASP H 1 2 ASP HB3 . . 3.790 3.832 3.832 3.832 0.042 1 0 "[ ]" 1
7 1 2 ASP H 1 3 VAL H . . 5.700 4.484 4.484 4.484 . 0 0 "[ ]" 1
8 1 2 ASP H 1 5 LYS H . . 5.700 4.471 4.471 4.471 . 0 0 "[ ]" 1
9 1 2 ASP H 1 5 LYS QB . . 6.100 2.890 2.890 2.890 . 0 0 "[ ]" 1
10 1 2 ASP H 1 93 ASP H . . 5.700 4.741 4.741 4.741 . 0 0 "[ ]" 1
11 1 2 ASP H 1 93 ASP HA . . 4.810 3.160 3.160 3.160 . 0 0 "[ ]" 1
12 1 2 ASP H 1 96 ALA MB . . 5.510 3.647 3.647 3.647 . 0 0 "[ ]" 1
13 1 2 ASP HA 1 2 ASP HB3 . . 3.090 2.455 2.455 2.455 . 0 0 "[ ]" 1
14 1 2 ASP HA 1 3 VAL H . . 3.090 2.294 2.294 2.294 . 0 0 "[ ]" 1
15 1 2 ASP HA 1 4 GLU H . . 5.240 4.502 4.502 4.502 . 0 0 "[ ]" 1
16 1 2 ASP HA 1 5 LYS QB . . 6.290 4.810 4.810 4.810 . 0 0 "[ ]" 1
17 1 2 ASP HA 1 96 ALA MB . . 6.730 3.400 3.400 3.400 . 0 0 "[ ]" 1
18 1 2 ASP HB2 1 3 VAL H . . 4.740 3.655 3.655 3.655 . 0 0 "[ ]" 1
19 1 2 ASP HB2 1 5 LYS H . . 3.550 2.499 2.499 2.499 . 0 0 "[ ]" 1
20 1 2 ASP HB2 1 5 LYS QB . . 6.360 2.653 2.653 2.653 . 0 0 "[ ]" 1
21 1 2 ASP HB3 1 3 VAL H . . 4.020 2.529 2.529 2.529 . 0 0 "[ ]" 1
22 1 2 ASP HB3 1 5 LYS H . . 3.550 3.246 3.246 3.246 . 0 0 "[ ]" 1
23 1 2 ASP HB3 1 5 LYS QB . . 5.340 4.157 4.157 4.157 . 0 0 "[ ]" 1
24 1 2 ASP HB3 1 96 ALA MB . . 6.730 4.943 4.943 4.943 . 0 0 "[ ]" 1
25 1 3 VAL H 1 3 VAL HB . . 3.490 2.464 2.464 2.464 . 0 0 "[ ]" 1
26 1 3 VAL H 1 4 GLU H . . 3.490 2.693 2.693 2.693 . 0 0 "[ ]" 1
27 1 3 VAL H 1 4 GLU HA . . 5.500 5.320 5.320 5.320 . 0 0 "[ ]" 1
28 1 3 VAL H 1 5 LYS H . . 4.910 4.446 4.446 4.446 . 0 0 "[ ]" 1
29 1 3 VAL H 1 6 GLY H . . 5.110 4.922 4.922 4.922 . 0 0 "[ ]" 1
30 1 3 VAL H 1 96 ALA MB . . 6.530 3.496 3.496 3.496 . 0 0 "[ ]" 1
31 1 3 VAL HA 1 6 GLY H . . 4.210 3.644 3.644 3.644 . 0 0 "[ ]" 1
32 1 3 VAL HA 1 7 LYS H . . 4.780 4.191 4.191 4.191 . 0 0 "[ ]" 1
33 1 3 VAL HA 1 96 ALA H . . 5.700 5.313 5.313 5.313 . 0 0 "[ ]" 1
34 1 4 GLU H 1 4 GLU HB2 . . 3.420 2.390 2.390 2.390 . 0 0 "[ ]" 1
35 1 4 GLU H 1 4 GLU HB3 . . 3.950 3.549 3.549 3.549 . 0 0 "[ ]" 1
36 1 4 GLU H 1 4 GLU HG2 . . 4.450 3.672 3.672 3.672 . 0 0 "[ ]" 1
37 1 4 GLU H 1 4 GLU HG3 . . 4.210 3.636 3.636 3.636 . 0 0 "[ ]" 1
38 1 4 GLU H 1 5 LYS H . . 3.090 3.106 3.106 3.106 0.016 1 0 "[ ]" 1
39 1 4 GLU H 1 5 LYS QB . . 6.190 4.918 4.918 4.918 . 0 0 "[ ]" 1
40 1 4 GLU H 1 6 GLY H . . 4.020 4.065 4.065 4.065 0.045 1 0 "[ ]" 1
41 1 4 GLU H 1 7 LYS QB . . 6.590 5.993 5.993 5.993 . 0 0 "[ ]" 1
42 1 4 GLU HA 1 4 GLU HB3 . . 2.470 2.530 2.530 2.530 0.060 1 0 "[ ]" 1
43 1 4 GLU HA 1 5 LYS H . . 3.520 3.556 3.556 3.556 0.036 1 0 "[ ]" 1
44 1 4 GLU HA 1 6 GLY H . . 3.880 3.926 3.926 3.926 0.046 1 0 "[ ]" 1
45 1 4 GLU HA 1 7 LYS QB . . 4.540 4.334 4.334 4.334 . 0 0 "[ ]" 1
46 1 4 GLU HA 1 7 LYS HG2 . . 3.590 2.327 2.327 2.327 . 0 0 "[ ]" 1
47 1 4 GLU HB2 1 5 LYS H . . 2.930 2.445 2.445 2.445 . 0 0 "[ ]" 1
48 1 4 GLU HB2 1 6 GLY H . . 4.740 4.769 4.769 4.769 0.029 1 0 "[ ]" 1
49 1 4 GLU HB3 1 4 GLU HG2 . . 2.400 2.445 2.445 2.445 0.045 1 0 "[ ]" 1
50 1 4 GLU HB3 1 4 GLU HG3 . . 2.630 2.372 2.372 2.372 . 0 0 "[ ]" 1
51 1 4 GLU HB3 1 5 LYS HA . . 4.510 4.312 4.312 4.312 . 0 0 "[ ]" 1
52 1 5 LYS H 1 5 LYS QB . . 3.590 2.474 2.474 2.474 . 0 0 "[ ]" 1
53 1 5 LYS H 1 5 LYS QE . . 3.520 4.282 4.282 4.282 0.762 1 1 [+] 1
54 1 5 LYS H 1 5 LYS HG2 . . 3.090 3.210 3.210 3.210 0.120 1 0 "[ ]" 1
55 1 5 LYS H 1 5 LYS HG3 . . 2.960 2.110 2.110 2.110 . 0 0 "[ ]" 1
56 1 5 LYS H 1 6 GLY H . . 3.090 2.857 2.857 2.857 . 0 0 "[ ]" 1
57 1 5 LYS H 1 93 ASP QB . . 5.340 4.378 4.378 4.378 . 0 0 "[ ]" 1
58 1 5 LYS HA 1 5 LYS HG2 . . 2.990 2.510 2.510 2.510 . 0 0 "[ ]" 1
59 1 5 LYS HA 1 6 GLY H . . 3.690 3.508 3.508 3.508 . 0 0 "[ ]" 1
60 1 5 LYS HA 1 8 LYS QB . . 4.910 4.156 4.156 4.156 . 0 0 "[ ]" 1
61 1 5 LYS HA 1 8 LYS QE . . 5.700 1.948 1.948 1.948 . 0 0 "[ ]" 1
62 1 5 LYS QB 1 6 GLY HA3 . . 5.400 4.306 4.306 4.306 . 0 0 "[ ]" 1
63 1 5 LYS QB 1 8 LYS QE . . 6.590 2.766 2.766 2.766 . 0 0 "[ ]" 1
64 1 5 LYS QB 1 93 ASP QB . . 6.590 2.440 2.440 2.440 . 0 0 "[ ]" 1
65 1 5 LYS HD2 1 89 THR MG . . 5.610 3.761 3.761 3.761 . 0 0 "[ ]" 1
66 1 5 LYS HG2 1 6 GLY H . . 5.700 5.121 5.121 5.121 . 0 0 "[ ]" 1
67 1 5 LYS HG3 1 6 GLY H . . 5.700 4.519 4.519 4.519 . 0 0 "[ ]" 1
68 1 6 GLY H 1 7 LYS H . . 3.130 2.473 2.473 2.473 . 0 0 "[ ]" 1
69 1 6 GLY H 1 7 LYS HA . . 5.010 5.101 5.101 5.101 0.091 1 0 "[ ]" 1
70 1 6 GLY H 1 7 LYS HG3 . . 5.700 4.797 4.797 4.797 . 0 0 "[ ]" 1
71 1 6 GLY H 1 9 ILE H . . 5.700 4.651 4.651 4.651 . 0 0 "[ ]" 1
72 1 6 GLY H 1 93 ASP QB . . 5.040 2.844 2.844 2.844 . 0 0 "[ ]" 1
73 1 6 GLY H 1 97 TYR HB2 . . 5.540 3.486 3.486 3.486 . 0 0 "[ ]" 1
74 1 6 GLY HA2 1 9 ILE HB . . 4.350 4.375 4.375 4.375 0.025 1 0 "[ ]" 1
75 1 6 GLY HA2 1 10 PHE HB2 . . 4.910 4.544 4.544 4.544 . 0 0 "[ ]" 1
76 1 6 GLY HA2 1 90 GLU HB3 . . 5.700 5.322 5.322 5.322 . 0 0 "[ ]" 1
77 1 6 GLY HA2 1 93 ASP QB . . 5.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
78 1 6 GLY HA2 1 94 LEU HA . . 4.880 3.465 3.465 3.465 . 0 0 "[ ]" 1
79 1 6 GLY HA2 1 94 LEU MD1 . . 4.550 2.495 2.495 2.495 . 0 0 "[ ]" 1
80 1 6 GLY HA2 1 97 TYR HB2 . . 5.110 3.919 3.919 3.919 . 0 0 "[ ]" 1
81 1 6 GLY HA3 1 7 LYS H . . 3.850 2.718 2.718 2.718 . 0 0 "[ ]" 1
82 1 6 GLY HA3 1 93 ASP QB . . 4.280 2.781 2.781 2.781 . 0 0 "[ ]" 1
83 1 6 GLY HA3 1 94 LEU MD1 . . 4.950 3.328 3.328 3.328 . 0 0 "[ ]" 1
84 1 6 GLY HA3 1 94 LEU HG . . 5.700 5.244 5.244 5.244 . 0 0 "[ ]" 1
85 1 7 LYS H 1 7 LYS HA . . 3.030 2.866 2.866 2.866 . 0 0 "[ ]" 1
86 1 7 LYS H 1 7 LYS QB . . 3.520 2.764 2.764 2.764 . 0 0 "[ ]" 1
87 1 7 LYS H 1 7 LYS QD . . 5.700 3.900 3.900 3.900 . 0 0 "[ ]" 1
88 1 7 LYS H 1 7 LYS HG2 . . 2.960 1.950 1.950 1.950 . 0 0 "[ ]" 1
89 1 7 LYS H 1 7 LYS HG3 . . 3.030 3.087 3.087 3.087 0.057 1 0 "[ ]" 1
90 1 7 LYS H 1 8 LYS H . . 3.320 2.784 2.784 2.784 . 0 0 "[ ]" 1
91 1 7 LYS H 1 9 ILE H . . 5.070 4.452 4.452 4.452 . 0 0 "[ ]" 1
92 1 7 LYS H 1 10 PHE H . . 5.670 4.703 4.703 4.703 . 0 0 "[ ]" 1
93 1 7 LYS HA 1 7 LYS QD . . 3.820 4.250 4.250 4.250 0.430 1 0 "[ ]" 1
94 1 7 LYS HA 1 8 LYS H . . 3.460 3.537 3.537 3.537 0.077 1 0 "[ ]" 1
95 1 7 LYS HA 1 10 PHE H . . 4.150 3.432 3.432 3.432 . 0 0 "[ ]" 1
96 1 7 LYS HA 1 10 PHE HB2 . . 4.810 3.314 3.314 3.314 . 0 0 "[ ]" 1
97 1 7 LYS HA 1 97 TYR HB2 . . 4.310 3.965 3.965 3.965 . 0 0 "[ ]" 1
98 1 7 LYS HA 1 97 TYR HB3 . . 5.700 4.574 4.574 4.574 . 0 0 "[ ]" 1
99 1 7 LYS HA 1 97 TYR QD . . 5.700 3.429 3.429 3.429 . 0 0 "[ ]" 1
100 1 7 LYS HA 1 97 TYR HE2 . . 5.700 3.710 3.710 3.710 . 0 0 "[ ]" 1
101 1 7 LYS QB 1 8 LYS QG . . 5.930 5.175 5.175 5.175 . 0 0 "[ ]" 1
102 1 7 LYS QB 1 11 VAL H . . 6.590 4.516 4.516 4.516 . 0 0 "[ ]" 1
103 1 7 LYS QD 1 8 LYS H . . 4.310 4.460 4.460 4.460 0.150 1 0 "[ ]" 1
104 1 7 LYS QD 1 8 LYS QG . . 4.210 5.724 5.724 5.724 1.514 1 1 [+] 1
105 1 7 LYS HG2 1 8 LYS H . . 3.460 3.108 3.108 3.108 . 0 0 "[ ]" 1
106 1 7 LYS HG2 1 97 TYR HB2 . . 4.940 3.836 3.836 3.836 . 0 0 "[ ]" 1
107 1 7 LYS HG2 1 97 TYR HB3 . . 5.670 5.477 5.477 5.477 . 0 0 "[ ]" 1
108 1 7 LYS HG3 1 8 LYS QB . . 5.070 3.601 3.601 3.601 . 0 0 "[ ]" 1
109 1 7 LYS HG3 1 97 TYR QD . . 5.700 5.315 5.315 5.315 . 0 0 "[ ]" 1
110 1 8 LYS H 1 8 LYS HA . . 3.030 2.904 2.904 2.904 . 0 0 "[ ]" 1
111 1 8 LYS H 1 8 LYS HD2 . . 4.640 4.441 4.441 4.441 . 0 0 "[ ]" 1
112 1 8 LYS H 1 8 LYS QE . . 4.150 4.413 4.413 4.413 0.263 1 0 "[ ]" 1
113 1 8 LYS H 1 8 LYS QG . . 3.230 2.267 2.267 2.267 . 0 0 "[ ]" 1
114 1 8 LYS H 1 9 ILE H . . 4.780 2.847 2.847 2.847 . 0 0 "[ ]" 1
115 1 8 LYS H 1 9 ILE HA . . 5.400 5.414 5.414 5.414 0.014 1 0 "[ ]" 1
116 1 8 LYS H 1 10 PHE H . . 4.210 4.123 4.123 4.123 . 0 0 "[ ]" 1
117 1 8 LYS H 1 10 PHE HB2 . . 5.700 5.768 5.768 5.768 0.068 1 0 "[ ]" 1
118 1 8 LYS H 1 11 VAL H . . 5.570 4.686 4.686 4.686 . 0 0 "[ ]" 1
119 1 8 LYS HA 1 9 ILE H . . 3.690 3.618 3.618 3.618 . 0 0 "[ ]" 1
120 1 8 LYS HA 1 10 PHE H . . 5.070 4.511 4.511 4.511 . 0 0 "[ ]" 1
121 1 8 LYS HA 1 11 VAL H . . 4.280 3.466 3.466 3.466 . 0 0 "[ ]" 1
122 1 8 LYS HA 1 11 VAL HB . . 3.290 2.710 2.710 2.710 . 0 0 "[ ]" 1
123 1 8 LYS HA 1 11 VAL MG1 . . 5.440 4.012 4.012 4.012 . 0 0 "[ ]" 1
124 1 8 LYS HA 1 11 VAL MG2 . . 4.350 3.580 3.580 3.580 . 0 0 "[ ]" 1
125 1 8 LYS QB 1 9 ILE HB . . 6.060 4.931 4.931 4.931 . 0 0 "[ ]" 1
126 1 8 LYS QE 1 9 ILE QG . . 6.590 4.648 4.648 4.648 . 0 0 "[ ]" 1
127 1 8 LYS QE 1 9 ILE MG . . 6.730 3.884 3.884 3.884 . 0 0 "[ ]" 1
128 1 9 ILE H 1 9 ILE HB . . 4.250 2.443 2.443 2.443 . 0 0 "[ ]" 1
129 1 9 ILE H 1 10 PHE H . . 3.790 2.622 2.622 2.622 . 0 0 "[ ]" 1
130 1 9 ILE H 1 11 VAL H . . 5.340 4.240 4.240 4.240 . 0 0 "[ ]" 1
131 1 9 ILE H 1 12 GLN H . . 5.700 5.007 5.007 5.007 . 0 0 "[ ]" 1
132 1 9 ILE HA 1 13 LYS H . . 5.300 3.975 3.975 3.975 . 0 0 "[ ]" 1
133 1 9 ILE QG 1 10 PHE HA . . 6.590 4.567 4.567 4.567 . 0 0 "[ ]" 1
134 1 9 ILE QG 1 12 GLN HG3 . . 6.460 4.812 4.812 4.812 . 0 0 "[ ]" 1
135 1 9 ILE QG 1 93 ASP QB . . 6.590 5.195 5.195 5.195 . 0 0 "[ ]" 1
136 1 9 ILE QG 1 94 LEU H . . 6.590 6.364 6.364 6.364 . 0 0 "[ ]" 1
137 1 9 ILE MG 1 10 PHE HB3 . . 5.940 4.396 4.396 4.396 . 0 0 "[ ]" 1
138 1 9 ILE MG 1 10 PHE QD . . 6.300 4.839 4.839 4.839 . 0 0 "[ ]" 1
139 1 9 ILE MG 1 93 ASP QB . . 6.030 3.196 3.196 3.196 . 0 0 "[ ]" 1
140 1 9 ILE MG 1 94 LEU H . . 6.300 4.095 4.095 4.095 . 0 0 "[ ]" 1
141 1 10 PHE H 1 10 PHE HB2 . . 3.260 2.497 2.497 2.497 . 0 0 "[ ]" 1
142 1 10 PHE H 1 10 PHE HB3 . . 3.260 2.541 2.541 2.541 . 0 0 "[ ]" 1
143 1 10 PHE H 1 11 VAL HA . . 5.340 5.380 5.380 5.380 0.040 1 0 "[ ]" 1
144 1 10 PHE H 1 11 VAL MG2 . . 5.280 4.559 4.559 4.559 . 0 0 "[ ]" 1
145 1 10 PHE H 1 12 GLN H . . 4.410 3.993 3.993 3.993 . 0 0 "[ ]" 1
146 1 10 PHE HA 1 11 VAL H . . 3.820 3.605 3.605 3.605 . 0 0 "[ ]" 1
147 1 10 PHE HA 1 13 LYS H . . 4.680 3.556 3.556 3.556 . 0 0 "[ ]" 1
148 1 10 PHE HA 1 13 LYS QB . . 5.900 4.057 4.057 4.057 . 0 0 "[ ]" 1
149 1 10 PHE HA 1 14 CYS H . . 4.120 3.198 3.198 3.198 . 0 0 "[ ]" 1
150 1 10 PHE HA 1 14 CYS HB3 . . 3.820 3.847 3.847 3.847 0.027 1 0 "[ ]" 1
151 1 10 PHE HA 1 97 TYR QD . . 8.000 5.249 5.249 5.249 . 0 0 "[ ]" 1
152 1 10 PHE HB2 1 10 PHE HE1 . . 5.700 5.518 5.518 5.518 . 0 0 "[ ]" 1
153 1 10 PHE HB2 1 11 VAL H . . 3.950 3.878 3.878 3.878 . 0 0 "[ ]" 1
154 1 10 PHE HB2 1 14 CYS HB2 . . 5.700 3.982 3.982 3.982 . 0 0 "[ ]" 1
155 1 10 PHE HB2 1 21 GLU QB . . 6.590 6.085 6.085 6.085 . 0 0 "[ ]" 1
156 1 10 PHE HB2 1 94 LEU HA . . 5.700 4.348 4.348 4.348 . 0 0 "[ ]" 1
157 1 10 PHE HB2 1 94 LEU MD1 . . 5.180 2.749 2.749 2.749 . 0 0 "[ ]" 1
158 1 10 PHE HB2 1 97 TYR QD . . 5.700 2.880 2.880 2.880 . 0 0 "[ ]" 1
159 1 10 PHE HB2 1 97 TYR HE1 . . 6.500 6.385 6.385 6.385 . 0 0 "[ ]" 1
160 1 10 PHE HB2 1 97 TYR HE2 . . 5.700 2.914 2.914 2.914 . 0 0 "[ ]" 1
161 1 10 PHE HB2 1 98 LEU MD1 . . 6.330 4.566 4.566 4.566 . 0 0 "[ ]" 1
162 1 10 PHE HB3 1 10 PHE HE1 . . 5.700 4.791 4.791 4.791 . 0 0 "[ ]" 1
163 1 10 PHE HB3 1 10 PHE HE2 . . 5.400 5.432 5.432 5.432 0.032 1 0 "[ ]" 1
164 1 10 PHE HB3 1 11 VAL H . . 3.520 2.553 2.553 2.553 . 0 0 "[ ]" 1
165 1 10 PHE HB3 1 14 CYS HB2 . . 5.010 4.173 4.173 4.173 . 0 0 "[ ]" 1
166 1 10 PHE HB3 1 15 ALA H . . 5.700 5.052 5.052 5.052 . 0 0 "[ ]" 1
167 1 10 PHE HB3 1 94 LEU HA . . 5.700 5.741 5.741 5.741 0.041 1 0 "[ ]" 1
168 1 10 PHE HB3 1 94 LEU MD1 . . 5.140 4.087 4.087 4.087 . 0 0 "[ ]" 1
169 1 10 PHE HB3 1 97 TYR HE1 . . 5.700 5.670 5.670 5.670 . 0 0 "[ ]" 1
170 1 10 PHE HB3 1 98 LEU MD2 . . 6.730 5.103 5.103 5.103 . 0 0 "[ ]" 1
171 1 10 PHE QD 1 11 VAL H . . 5.700 3.160 3.160 3.160 . 0 0 "[ ]" 1
172 1 10 PHE QD 1 11 VAL HA . . 4.180 2.935 2.935 2.935 . 0 0 "[ ]" 1
173 1 10 PHE QD 1 11 VAL MG1 . . 6.430 4.723 4.723 4.723 . 0 0 "[ ]" 1
174 1 10 PHE QD 1 14 CYS HB2 . . 5.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
175 1 10 PHE QD 1 14 CYS HB3 . . 4.640 3.369 3.369 3.369 . 0 0 "[ ]" 1
176 1 10 PHE QD 1 15 ALA H . . 5.700 3.389 3.389 3.389 . 0 0 "[ ]" 1
177 1 10 PHE QD 1 15 ALA MB . . 6.730 2.664 2.664 2.664 . 0 0 "[ ]" 1
178 1 10 PHE QD 1 20 VAL QG . . 6.730 3.818 3.818 3.818 . 0 0 "[ ]" 1
179 1 10 PHE QD 1 32 LEU MD2 . . 6.730 3.847 3.847 3.847 . 0 0 "[ ]" 1
180 1 10 PHE QD 1 64 LEU QD . . 6.730 5.316 5.316 5.316 . 0 0 "[ ]" 1
181 1 10 PHE QD 1 97 TYR HE1 . . 8.000 5.841 5.841 5.841 . 0 0 "[ ]" 1
182 1 10 PHE QD 1 97 TYR HE2 . . 6.450 2.746 2.746 2.746 . 0 0 "[ ]" 1
183 1 10 PHE QD 1 98 LEU MD1 . . 5.240 3.013 3.013 3.013 . 0 0 "[ ]" 1
184 1 10 PHE QD 1 98 LEU MD2 . . 6.730 3.571 3.571 3.571 . 0 0 "[ ]" 1
185 1 10 PHE QD 1 98 LEU HG . . 5.700 4.258 4.258 4.258 . 0 0 "[ ]" 1
186 1 10 PHE HE1 1 15 ALA MB . . 4.320 2.597 2.597 2.597 . 0 0 "[ ]" 1
187 1 10 PHE HE1 1 18 HIS H . . 5.700 5.102 5.102 5.102 . 0 0 "[ ]" 1
188 1 10 PHE HE1 1 18 HIS HA . . 5.700 5.715 5.715 5.715 0.015 1 0 "[ ]" 1
189 1 10 PHE HE1 1 18 HIS HB3 . . 5.370 4.338 4.338 4.338 . 0 0 "[ ]" 1
190 1 10 PHE HE1 1 20 VAL HB . . 5.700 4.671 4.671 4.671 . 0 0 "[ ]" 1
191 1 10 PHE HE1 1 21 GLU HA . . 8.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
192 1 10 PHE HE1 1 21 GLU QB . . 6.590 3.094 3.094 3.094 . 0 0 "[ ]" 1
193 1 10 PHE HE1 1 97 TYR HE1 . . 7.000 7.047 7.047 7.047 0.047 1 0 "[ ]" 1
194 1 10 PHE HE1 1 98 LEU HG . . 8.000 7.672 7.672 7.672 . 0 0 "[ ]" 1
195 1 10 PHE HE2 1 14 CYS HB2 . . 5.700 3.814 3.814 3.814 . 0 0 "[ ]" 1
196 1 10 PHE HE2 1 20 VAL QG . . 5.280 3.894 3.894 3.894 . 0 0 "[ ]" 1
197 1 10 PHE HE2 1 32 LEU MD2 . . 5.340 2.306 2.306 2.306 . 0 0 "[ ]" 1
198 1 10 PHE HE2 1 94 LEU MD1 . . 6.730 5.438 5.438 5.438 . 0 0 "[ ]" 1
199 1 10 PHE HE2 1 94 LEU MD2 . . 6.730 4.816 4.816 4.816 . 0 0 "[ ]" 1
200 1 10 PHE HE2 1 97 TYR HE1 . . 8.000 7.743 7.743 7.743 . 0 0 "[ ]" 1
201 1 10 PHE HZ 1 18 HIS HB3 . . 5.700 2.539 2.539 2.539 . 0 0 "[ ]" 1
202 1 10 PHE HZ 1 18 HIS HD2 . . 4.250 4.365 4.365 4.365 0.115 1 0 "[ ]" 1
203 1 10 PHE HZ 1 20 VAL HB . . 5.370 4.084 4.084 4.084 . 0 0 "[ ]" 1
204 1 10 PHE HZ 1 32 LEU HB3 . . 5.400 5.442 5.442 5.442 0.042 1 0 "[ ]" 1
205 1 10 PHE HZ 1 98 LEU MD1 . . 6.730 5.015 5.015 5.015 . 0 0 "[ ]" 1
206 1 10 PHE HZ 1 98 LEU MD2 . . 4.780 4.385 4.385 4.385 . 0 0 "[ ]" 1
207 1 11 VAL H 1 11 VAL HB . . 2.930 2.348 2.348 2.348 . 0 0 "[ ]" 1
208 1 11 VAL H 1 11 VAL MG2 . . 4.190 2.309 2.309 2.309 . 0 0 "[ ]" 1
209 1 11 VAL H 1 12 GLN H . . 3.190 2.809 2.809 2.809 . 0 0 "[ ]" 1
210 1 11 VAL H 1 12 GLN HB2 . . 5.040 5.076 5.076 5.076 0.036 1 0 "[ ]" 1
211 1 11 VAL H 1 13 LYS H . . 5.700 4.758 4.758 4.758 . 0 0 "[ ]" 1
212 1 11 VAL H 1 14 CYS H . . 5.700 4.899 4.899 4.899 . 0 0 "[ ]" 1
213 1 11 VAL H 1 15 ALA H . . 4.970 4.543 4.543 4.543 . 0 0 "[ ]" 1
214 1 11 VAL HA 1 12 GLN H . . 4.710 3.300 3.300 3.300 . 0 0 "[ ]" 1
215 1 11 VAL HA 1 13 LYS H . . 5.700 4.933 4.933 4.933 . 0 0 "[ ]" 1
216 1 11 VAL HA 1 14 CYS H . . 5.540 4.177 4.177 4.177 . 0 0 "[ ]" 1
217 1 11 VAL HA 1 14 CYS HB2 . . 4.250 4.405 4.405 4.405 0.155 1 0 "[ ]" 1
218 1 11 VAL HA 1 15 ALA H . . 3.950 2.849 2.849 2.849 . 0 0 "[ ]" 1
219 1 11 VAL HA 1 15 ALA MB . . 3.760 1.954 1.954 1.954 . 0 0 "[ ]" 1
220 1 11 VAL HA 1 16 GLN H . . 5.270 4.532 4.532 4.532 . 0 0 "[ ]" 1
221 1 11 VAL HB 1 12 GLN HA . . 4.910 4.921 4.921 4.921 0.011 1 0 "[ ]" 1
222 1 11 VAL HB 1 15 ALA MB . . 6.730 4.356 4.356 4.356 . 0 0 "[ ]" 1
223 1 11 VAL MG1 1 12 GLN HB2 . . 6.730 4.441 4.441 4.441 . 0 0 "[ ]" 1
224 1 11 VAL MG2 1 12 GLN H . . 5.310 4.266 4.266 4.266 . 0 0 "[ ]" 1
225 1 11 VAL MG2 1 15 ALA MB . . 6.570 2.696 2.696 2.696 . 0 0 "[ ]" 1
226 1 11 VAL MG2 1 21 GLU H . . 6.730 4.547 4.547 4.547 . 0 0 "[ ]" 1
227 1 12 GLN H 1 12 GLN HB2 . . 3.090 2.879 2.879 2.879 . 0 0 "[ ]" 1
228 1 12 GLN H 1 12 GLN HB3 . . 3.190 2.566 2.566 2.566 . 0 0 "[ ]" 1
229 1 12 GLN H 1 12 GLN HG2 . . 4.450 4.800 4.800 4.800 0.350 1 0 "[ ]" 1
230 1 12 GLN H 1 12 GLN HG3 . . 4.970 4.504 4.504 4.504 . 0 0 "[ ]" 1
231 1 12 GLN H 1 13 LYS H . . 3.190 2.363 2.363 2.363 . 0 0 "[ ]" 1
232 1 12 GLN H 1 14 CYS H . . 4.210 3.426 3.426 3.426 . 0 0 "[ ]" 1
233 1 12 GLN H 1 15 ALA H . . 3.880 4.086 4.086 4.086 0.206 1 0 "[ ]" 1
234 1 12 GLN HA 1 12 GLN HB2 . . 2.730 2.484 2.484 2.484 . 0 0 "[ ]" 1
235 1 12 GLN HA 1 12 GLN HB3 . . 3.130 3.038 3.038 3.038 . 0 0 "[ ]" 1
236 1 12 GLN HA 1 12 GLN HG2 . . 3.620 3.771 3.771 3.771 0.151 1 0 "[ ]" 1
237 1 12 GLN HA 1 12 GLN HG3 . . 4.450 3.253 3.253 3.253 . 0 0 "[ ]" 1
238 1 12 GLN HA 1 13 LYS H . . 4.180 3.611 3.611 3.611 . 0 0 "[ ]" 1
239 1 12 GLN HA 1 13 LYS QG . . 5.700 4.480 4.480 4.480 . 0 0 "[ ]" 1
240 1 12 GLN HA 1 15 ALA MB . . 5.870 4.833 4.833 4.833 . 0 0 "[ ]" 1
241 1 12 GLN HB3 1 13 LYS HA . . 4.350 4.445 4.445 4.445 0.095 1 0 "[ ]" 1
242 1 12 GLN HG2 1 13 LYS HE2 . . 3.590 4.019 4.019 4.019 0.429 1 0 "[ ]" 1
243 1 12 GLN HG3 1 13 LYS QD . . 4.540 4.324 4.324 4.324 . 0 0 "[ ]" 1
244 1 13 LYS H 1 13 LYS QD . . 4.210 4.243 4.243 4.243 0.033 1 0 "[ ]" 1
245 1 13 LYS H 1 13 LYS HE2 . . 5.700 4.776 4.776 4.776 . 0 0 "[ ]" 1
246 1 13 LYS H 1 13 LYS QG . . 3.980 2.301 2.301 2.301 . 0 0 "[ ]" 1
247 1 13 LYS H 1 14 CYS H . . 3.460 2.383 2.383 2.383 . 0 0 "[ ]" 1
248 1 13 LYS H 1 14 CYS HA . . 5.700 5.056 5.056 5.056 . 0 0 "[ ]" 1
249 1 13 LYS H 1 15 ALA H . . 4.540 4.227 4.227 4.227 . 0 0 "[ ]" 1
250 1 13 LYS H 1 15 ALA MB . . 6.430 5.220 5.220 5.220 . 0 0 "[ ]" 1
251 1 13 LYS H 1 82 PHE QE . . 8.000 6.237 6.237 6.237 . 0 0 "[ ]" 1
252 1 13 LYS HA 1 13 LYS QD . . 4.350 3.903 3.903 3.903 . 0 0 "[ ]" 1
253 1 13 LYS HA 1 13 LYS HE2 . . 5.700 5.411 5.411 5.411 . 0 0 "[ ]" 1
254 1 13 LYS HA 1 13 LYS QG . . 3.320 2.630 2.630 2.630 . 0 0 "[ ]" 1
255 1 13 LYS HA 1 14 CYS H . . 4.120 3.390 3.390 3.390 . 0 0 "[ ]" 1
256 1 13 LYS HA 1 15 ALA H . . 5.240 5.265 5.265 5.265 0.025 1 0 "[ ]" 1
257 1 13 LYS HA 1 16 GLN H . . 5.700 4.707 4.707 4.707 . 0 0 "[ ]" 1
258 1 13 LYS HA 1 16 GLN HB2 . . 5.210 3.763 3.763 3.763 . 0 0 "[ ]" 1
259 1 13 LYS HA 1 16 GLN HB3 . . 5.700 3.878 3.878 3.878 . 0 0 "[ ]" 1
260 1 13 LYS HA 1 16 GLN HG2 . . 5.700 5.770 5.770 5.770 0.070 1 0 "[ ]" 1
261 1 13 LYS QB 1 14 CYS H . . 5.730 3.248 3.248 3.248 . 0 0 "[ ]" 1
262 1 13 LYS QB 1 15 ALA H . . 6.590 5.248 5.248 5.248 . 0 0 "[ ]" 1
263 1 13 LYS QB 1 82 PHE QE . . 6.590 3.159 3.159 3.159 . 0 0 "[ ]" 1
264 1 13 LYS QB 1 82 PHE HZ . . 6.590 2.848 2.848 2.848 . 0 0 "[ ]" 1
265 1 13 LYS QD 1 14 CYS H . . 5.300 5.448 5.448 5.448 0.148 1 0 "[ ]" 1
266 1 13 LYS QD 1 82 PHE QE . . 5.240 3.040 3.040 3.040 . 0 0 "[ ]" 1
267 1 13 LYS QD 1 82 PHE HZ . . 5.210 2.119 2.119 2.119 . 0 0 "[ ]" 1
268 1 13 LYS HE2 1 13 LYS QG . . 2.960 2.322 2.322 2.322 . 0 0 "[ ]" 1
269 1 13 LYS QG 1 82 PHE QE . . 4.640 4.404 4.404 4.404 . 0 0 "[ ]" 1
270 1 13 LYS QG 1 82 PHE HZ . . 4.180 4.023 4.023 4.023 . 0 0 "[ ]" 1
271 1 14 CYS H 1 14 CYS HB2 . . 2.960 2.564 2.564 2.564 . 0 0 "[ ]" 1
272 1 14 CYS H 1 14 CYS HB3 . . 3.950 3.676 3.676 3.676 . 0 0 "[ ]" 1
273 1 14 CYS H 1 15 ALA H . . 2.960 2.224 2.224 2.224 . 0 0 "[ ]" 1
274 1 14 CYS H 1 16 GLN H . . 4.740 3.374 3.374 3.374 . 0 0 "[ ]" 1
275 1 14 CYS H 1 17 CYS H . . 5.700 5.208 5.208 5.208 . 0 0 "[ ]" 1
276 1 14 CYS H 1 18 HIS HD2 . . 5.700 5.717 5.717 5.717 0.017 1 0 "[ ]" 1
277 1 14 CYS HA 1 15 ALA H . . 4.310 3.617 3.617 3.617 . 0 0 "[ ]" 1
278 1 14 CYS HA 1 16 GLN H . . 5.700 3.960 3.960 3.960 . 0 0 "[ ]" 1
279 1 14 CYS HA 1 17 CYS H . . 5.700 3.870 3.870 3.870 . 0 0 "[ ]" 1
280 1 14 CYS HA 1 18 HIS HD2 . . 4.310 2.954 2.954 2.954 . 0 0 "[ ]" 1
281 1 14 CYS HB2 1 18 HIS H . . 5.700 5.140 5.140 5.140 . 0 0 "[ ]" 1
282 1 14 CYS HB2 1 18 HIS HD2 . . 5.700 4.592 4.592 4.592 . 0 0 "[ ]" 1
283 1 14 CYS HB3 1 15 ALA H . . 3.550 3.613 3.613 3.613 0.063 1 0 "[ ]" 1
284 1 14 CYS HB3 1 18 HIS HD2 . . 4.120 3.080 3.080 3.080 . 0 0 "[ ]" 1
285 1 14 CYS HB3 1 32 LEU MD1 . . 6.730 4.302 4.302 4.302 . 0 0 "[ ]" 1
286 1 14 CYS HB3 1 32 LEU MD2 . . 6.730 4.721 4.721 4.721 . 0 0 "[ ]" 1
287 1 15 ALA H 1 16 GLN H . . 3.690 2.640 2.640 2.640 . 0 0 "[ ]" 1
288 1 15 ALA H 1 17 CYS H . . 4.810 4.362 4.362 4.362 . 0 0 "[ ]" 1
289 1 15 ALA H 1 18 HIS HD2 . . 5.700 5.493 5.493 5.493 . 0 0 "[ ]" 1
290 1 15 ALA HA 1 18 HIS H . . 4.540 3.171 3.171 3.171 . 0 0 "[ ]" 1
291 1 15 ALA HA 1 18 HIS HB2 . . 4.310 3.348 3.348 3.348 . 0 0 "[ ]" 1
292 1 15 ALA MB 1 16 GLN H . . 5.040 2.901 2.901 2.901 . 0 0 "[ ]" 1
293 1 15 ALA MB 1 18 HIS H . . 6.730 4.634 4.634 4.634 . 0 0 "[ ]" 1
294 1 16 GLN H 1 16 GLN HA . . 3.060 2.788 2.788 2.788 . 0 0 "[ ]" 1
295 1 16 GLN H 1 16 GLN HB2 . . 3.390 2.138 2.138 2.138 . 0 0 "[ ]" 1
296 1 16 GLN H 1 16 GLN HB3 . . 3.230 2.502 2.502 2.502 . 0 0 "[ ]" 1
297 1 16 GLN H 1 16 GLN HE21 . . 5.700 5.088 5.088 5.088 . 0 0 "[ ]" 1
298 1 16 GLN H 1 16 GLN HG2 . . 4.410 4.287 4.287 4.287 . 0 0 "[ ]" 1
299 1 16 GLN H 1 17 CYS H . . 3.160 2.833 2.833 2.833 . 0 0 "[ ]" 1
300 1 16 GLN H 1 18 HIS H . . 4.880 4.187 4.187 4.187 . 0 0 "[ ]" 1
301 1 16 GLN HA 1 16 GLN HB2 . . 2.730 2.528 2.528 2.528 . 0 0 "[ ]" 1
302 1 16 GLN HA 1 16 GLN HB3 . . 2.990 3.045 3.045 3.045 0.055 1 0 "[ ]" 1
303 1 16 GLN HA 1 16 GLN HG3 . . 3.720 3.489 3.489 3.489 . 0 0 "[ ]" 1
304 1 16 GLN HB3 1 17 CYS HB2 . . 5.700 4.134 4.134 4.134 . 0 0 "[ ]" 1
305 1 16 GLN HG2 1 17 CYS H . . 5.240 4.917 4.917 4.917 . 0 0 "[ ]" 1
306 1 17 CYS H 1 17 CYS HB2 . . 3.290 2.563 2.563 2.563 . 0 0 "[ ]" 1
307 1 17 CYS H 1 17 CYS HB3 . . 3.620 3.698 3.698 3.698 0.078 1 0 "[ ]" 1
308 1 17 CYS H 1 18 HIS H . . 3.550 1.892 1.892 1.892 . 0 0 "[ ]" 1
309 1 17 CYS H 1 18 HIS HD2 . . 5.700 4.197 4.197 4.197 . 0 0 "[ ]" 1
310 1 17 CYS HA 1 17 CYS HB2 . . 2.960 3.026 3.026 3.026 0.066 1 0 "[ ]" 1
311 1 17 CYS HA 1 17 CYS HB3 . . 2.830 2.553 2.553 2.553 . 0 0 "[ ]" 1
312 1 17 CYS HA 1 18 HIS H . . 4.580 3.576 3.576 3.576 . 0 0 "[ ]" 1
313 1 17 CYS HA 1 28 THR MG . . 6.730 4.672 4.672 4.672 . 0 0 "[ ]" 1
314 1 17 CYS HB2 1 18 HIS H . . 3.880 2.585 2.585 2.585 . 0 0 "[ ]" 1
315 1 17 CYS HB2 1 18 HIS HD2 . . 4.740 3.113 3.113 3.113 . 0 0 "[ ]" 1
316 1 17 CYS HB2 1 28 THR HB . . 5.700 4.146 4.146 4.146 . 0 0 "[ ]" 1
317 1 17 CYS HB2 1 29 GLY H . . 5.700 4.387 4.387 4.387 . 0 0 "[ ]" 1
318 1 17 CYS HB2 1 29 GLY HA3 . . 5.700 4.265 4.265 4.265 . 0 0 "[ ]" 1
319 1 17 CYS HB3 1 18 HIS H . . 5.400 3.411 3.411 3.411 . 0 0 "[ ]" 1
320 1 17 CYS HB3 1 18 HIS HA . . 5.010 4.519 4.519 4.519 . 0 0 "[ ]" 1
321 1 17 CYS HB3 1 18 HIS HD2 . . 5.210 4.124 4.124 4.124 . 0 0 "[ ]" 1
322 1 17 CYS HB3 1 29 GLY HA2 . . 4.910 4.328 4.328 4.328 . 0 0 "[ ]" 1
323 1 17 CYS HB3 1 29 GLY HA3 . . 5.700 3.224 3.224 3.224 . 0 0 "[ ]" 1
324 1 18 HIS H 1 18 HIS HB2 . . 3.420 2.360 2.360 2.360 . 0 0 "[ ]" 1
325 1 18 HIS H 1 18 HIS HB3 . . 4.180 3.549 3.549 3.549 . 0 0 "[ ]" 1
326 1 18 HIS H 1 18 HIS HD1 . . 5.700 4.727 4.727 4.727 . 0 0 "[ ]" 1
327 1 18 HIS H 1 18 HIS HD2 . . 4.780 3.004 3.004 3.004 . 0 0 "[ ]" 1
328 1 18 HIS H 1 19 THR H . . 5.110 3.690 3.690 3.690 . 0 0 "[ ]" 1
329 1 18 HIS HA 1 18 HIS HB3 . . 2.860 2.465 2.465 2.465 . 0 0 "[ ]" 1
330 1 18 HIS HA 1 19 THR H . . 3.690 2.544 2.544 2.544 . 0 0 "[ ]" 1
331 1 18 HIS HA 1 31 ASN HB3 . . 4.710 5.190 5.190 5.190 0.480 1 0 "[ ]" 1
332 1 18 HIS HB2 1 19 THR H . . 4.810 4.480 4.480 4.480 . 0 0 "[ ]" 1
333 1 18 HIS HB2 1 32 LEU MD1 . . 6.730 3.079 3.079 3.079 . 0 0 "[ ]" 1
334 1 18 HIS HB2 1 32 LEU MD2 . . 6.730 4.738 4.738 4.738 . 0 0 "[ ]" 1
335 1 18 HIS HB3 1 18 HIS HD1 . . 3.950 2.588 2.588 2.588 . 0 0 "[ ]" 1
336 1 18 HIS HB3 1 20 VAL H . . 5.700 3.713 3.713 3.713 . 0 0 "[ ]" 1
337 1 18 HIS HB3 1 20 VAL QG . . 6.730 3.453 3.453 3.453 . 0 0 "[ ]" 1
338 1 18 HIS HB3 1 31 ASN H . . 5.700 5.615 5.615 5.615 . 0 0 "[ ]" 1
339 1 18 HIS HB3 1 31 ASN HA . . 3.850 3.558 3.558 3.558 . 0 0 "[ ]" 1
340 1 18 HIS HB3 1 32 LEU H . . 4.740 3.646 3.646 3.646 . 0 0 "[ ]" 1
341 1 18 HIS HB3 1 32 LEU HG . . 4.880 4.894 4.894 4.894 0.014 1 0 "[ ]" 1
342 1 18 HIS HD1 1 26 HIS HA . . 5.700 5.123 5.123 5.123 . 0 0 "[ ]" 1
343 1 18 HIS HD1 1 29 GLY H . . 5.700 4.573 4.573 4.573 . 0 0 "[ ]" 1
344 1 18 HIS HD1 1 31 ASN HA . . 4.250 4.092 4.092 4.092 . 0 0 "[ ]" 1
345 1 18 HIS HD1 1 32 LEU H . . 5.700 4.527 4.527 4.527 . 0 0 "[ ]" 1
346 1 18 HIS HD1 1 32 LEU MD1 . . 5.440 2.469 2.469 2.469 . 0 0 "[ ]" 1
347 1 18 HIS HD2 1 32 LEU MD2 . . 6.030 5.258 5.258 5.258 . 0 0 "[ ]" 1
348 1 18 HIS HD2 1 80 MET ME . . 6.730 4.703 4.703 4.703 . 0 0 "[ ]" 1
349 1 18 HIS HE1 1 29 GLY HA2 . . 5.700 3.735 3.735 3.735 . 0 0 "[ ]" 1
350 1 18 HIS HE1 1 29 GLY HA3 . . 4.150 2.807 2.807 2.807 . 0 0 "[ ]" 1
351 1 18 HIS HE1 1 30 PRO QG . . 4.910 3.109 3.109 3.109 . 0 0 "[ ]" 1
352 1 18 HIS HE1 1 32 LEU MD1 . . 4.810 3.556 3.556 3.556 . 0 0 "[ ]" 1
353 1 18 HIS HE1 1 32 LEU MD2 . . 5.740 5.235 5.235 5.235 . 0 0 "[ ]" 1
354 1 18 HIS HE1 1 80 MET ME . . 6.730 5.578 5.578 5.578 . 0 0 "[ ]" 1
355 1 19 THR H 1 19 THR MG . . 4.710 3.754 3.754 3.754 . 0 0 "[ ]" 1
356 1 19 THR H 1 20 VAL H . . 4.380 3.582 3.582 3.582 . 0 0 "[ ]" 1
357 1 19 THR H 1 31 ASN HA . . 5.700 4.695 4.695 4.695 . 0 0 "[ ]" 1
358 1 19 THR H 1 31 ASN HB3 . . 6.000 5.193 5.193 5.193 . 0 0 "[ ]" 1
359 1 19 THR HA 1 20 VAL HA . . 5.700 4.671 4.671 4.671 . 0 0 "[ ]" 1
360 1 19 THR HA 1 20 VAL QG . . 6.730 3.937 3.937 3.937 . 0 0 "[ ]" 1
361 1 19 THR HA 1 21 GLU QB . . 6.590 4.291 4.291 4.291 . 0 0 "[ ]" 1
362 1 19 THR MG 1 25 LYS H . . 5.340 3.934 3.934 3.934 . 0 0 "[ ]" 1
363 1 20 VAL H 1 20 VAL HB . . 4.120 2.545 2.545 2.545 . 0 0 "[ ]" 1
364 1 20 VAL H 1 21 GLU H . . 4.610 2.538 2.538 2.538 . 0 0 "[ ]" 1
365 1 20 VAL HB 1 31 ASN HB2 . . 5.700 3.187 3.187 3.187 . 0 0 "[ ]" 1
366 1 20 VAL QG 1 22 LYS HG3 . . 6.730 6.138 6.138 6.138 . 0 0 "[ ]" 1
367 1 20 VAL QG 1 32 LEU H . . 6.730 2.284 2.284 2.284 . 0 0 "[ ]" 1
368 1 20 VAL QG 1 32 LEU HB2 . . 4.810 2.145 2.145 2.145 . 0 0 "[ ]" 1
369 1 20 VAL QG 1 32 LEU HB3 . . 6.730 3.361 3.361 3.361 . 0 0 "[ ]" 1
370 1 20 VAL QG 1 32 LEU MD2 . . 7.260 3.239 3.239 3.239 . 0 0 "[ ]" 1
371 1 20 VAL QG 1 32 LEU HG . . 6.730 4.378 4.378 4.378 . 0 0 "[ ]" 1
372 1 20 VAL QG 1 34 GLY H . . 6.730 4.157 4.157 4.157 . 0 0 "[ ]" 1
373 1 20 VAL QG 1 34 GLY HA3 . . 6.730 6.343 6.343 6.343 . 0 0 "[ ]" 1
374 1 20 VAL QG 1 35 LEU H . . 6.730 5.196 5.196 5.196 . 0 0 "[ ]" 1
375 1 20 VAL QG 1 97 TYR HE1 . . 6.530 4.726 4.726 4.726 . 0 0 "[ ]" 1
376 1 20 VAL QG 1 98 LEU HA . . 6.730 5.737 5.737 5.737 . 0 0 "[ ]" 1
377 1 20 VAL QG 1 98 LEU MD2 . . 7.330 3.357 3.357 3.357 . 0 0 "[ ]" 1
378 1 20 VAL QG 1 101 ALA H . . 6.730 6.544 6.544 6.544 . 0 0 "[ ]" 1
379 1 20 VAL QG 1 101 ALA MB . . 7.100 3.712 3.712 3.712 . 0 0 "[ ]" 1
380 1 20 VAL QG 1 102 THR H . . 6.730 6.719 6.719 6.719 . 0 0 "[ ]" 1
381 1 20 VAL QG 1 102 THR MG . . 7.190 6.642 6.642 6.642 . 0 0 "[ ]" 1
382 1 21 GLU H 1 22 LYS H . . 5.300 2.844 2.844 2.844 . 0 0 "[ ]" 1
383 1 21 GLU HA 1 23 GLY H . . 7.000 6.169 6.169 6.169 . 0 0 "[ ]" 1
384 1 21 GLU QB 1 22 LYS HA . . 6.590 4.968 4.968 4.968 . 0 0 "[ ]" 1
385 1 21 GLU QB 1 97 TYR HE2 . . 6.590 4.832 4.832 4.832 . 0 0 "[ ]" 1
386 1 22 LYS H 1 22 LYS HG3 . . 3.720 3.672 3.672 3.672 . 0 0 "[ ]" 1
387 1 22 LYS H 1 23 GLY H . . 4.740 4.082 4.082 4.082 . 0 0 "[ ]" 1
388 1 22 LYS H 1 24 GLY H . . 5.700 3.956 3.956 3.956 . 0 0 "[ ]" 1
389 1 22 LYS HA 1 22 LYS HG3 . . 3.620 2.963 2.963 2.963 . 0 0 "[ ]" 1
390 1 22 LYS HA 1 23 GLY H . . 3.160 2.166 2.166 2.166 . 0 0 "[ ]" 1
391 1 22 LYS HA 1 23 GLY HA2 . . 4.840 4.431 4.431 4.431 . 0 0 "[ ]" 1
392 1 22 LYS QB 1 23 GLY H . . 6.100 3.284 3.284 3.284 . 0 0 "[ ]" 1
393 1 22 LYS HG3 1 23 GLY H . . 5.630 5.028 5.028 5.028 . 0 0 "[ ]" 1
394 1 23 GLY H 1 24 GLY H . . 4.450 2.750 2.750 2.750 . 0 0 "[ ]" 1
395 1 23 GLY HA2 1 24 GLY H . . 4.280 2.852 2.852 2.852 . 0 0 "[ ]" 1
396 1 23 GLY HA3 1 24 GLY HA2 . . 5.700 5.143 5.143 5.143 . 0 0 "[ ]" 1
397 1 24 GLY H 1 24 GLY HA2 . . 3.130 2.433 2.433 2.433 . 0 0 "[ ]" 1
398 1 24 GLY H 1 25 LYS H . . 4.450 4.078 4.078 4.078 . 0 0 "[ ]" 1
399 1 24 GLY HA2 1 25 LYS H . . 3.130 2.062 2.062 2.062 . 0 0 "[ ]" 1
400 1 24 GLY HA2 1 25 LYS HB2 . . 4.450 4.057 4.057 4.057 . 0 0 "[ ]" 1
401 1 24 GLY HA2 1 31 ASN HB3 . . 5.400 3.746 3.746 3.746 . 0 0 "[ ]" 1
402 1 24 GLY HA3 1 25 LYS H . . 3.160 3.283 3.283 3.283 0.123 1 0 "[ ]" 1
403 1 25 LYS H 1 25 LYS HB2 . . 3.750 2.581 2.581 2.581 . 0 0 "[ ]" 1
404 1 25 LYS H 1 25 LYS HB3 . . 4.180 3.583 3.583 3.583 . 0 0 "[ ]" 1
405 1 25 LYS H 1 25 LYS HD3 . . 4.640 4.780 4.780 4.780 0.140 1 0 "[ ]" 1
406 1 25 LYS H 1 25 LYS HE2 . . 5.470 5.236 5.236 5.236 . 0 0 "[ ]" 1
407 1 25 LYS H 1 25 LYS HG2 . . 4.510 4.737 4.737 4.737 0.227 1 0 "[ ]" 1
408 1 25 LYS HA 1 25 LYS HB3 . . 2.630 2.790 2.790 2.790 0.160 1 0 "[ ]" 1
409 1 25 LYS HA 1 25 LYS HE2 . . 5.700 4.713 4.713 4.713 . 0 0 "[ ]" 1
410 1 25 LYS HA 1 26 HIS H . . 2.930 2.452 2.452 2.452 . 0 0 "[ ]" 1
411 1 25 LYS HB2 1 31 ASN HB3 . . 5.700 5.216 5.216 5.216 . 0 0 "[ ]" 1
412 1 26 HIS H 1 26 HIS HB2 . . 4.050 3.800 3.800 3.800 . 0 0 "[ ]" 1
413 1 26 HIS H 1 26 HIS HB3 . . 3.980 3.414 3.414 3.414 . 0 0 "[ ]" 1
414 1 26 HIS H 1 26 HIS HD1 . . 5.700 2.987 2.987 2.987 . 0 0 "[ ]" 1
415 1 26 HIS H 1 27 LYS HA . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 1
416 1 26 HIS H 1 27 LYS QB . . 7.390 5.364 5.364 5.364 . 0 0 "[ ]" 1
417 1 26 HIS HA 1 26 HIS HB3 . . 2.400 2.317 2.317 2.317 . 0 0 "[ ]" 1
418 1 26 HIS HA 1 30 PRO HA . . 5.240 3.911 3.911 3.911 . 0 0 "[ ]" 1
419 1 26 HIS HA 1 31 ASN H . . 5.630 4.183 4.183 4.183 . 0 0 "[ ]" 1
420 1 26 HIS HA 1 31 ASN HB3 . . 5.700 4.566 4.566 4.566 . 0 0 "[ ]" 1
421 1 26 HIS HB2 1 27 LYS QB . . 6.590 5.769 5.769 5.769 . 0 0 "[ ]" 1
422 1 26 HIS HB2 1 31 ASN H . . 5.700 3.628 3.628 3.628 . 0 0 "[ ]" 1
423 1 26 HIS HB2 1 31 ASN HB3 . . 5.700 5.381 5.381 5.381 . 0 0 "[ ]" 1
424 1 26 HIS HB2 1 43 ALA MB . . 6.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
425 1 26 HIS HB2 1 46 PHE HB2 . . 5.700 3.079 3.079 3.079 . 0 0 "[ ]" 1
426 1 26 HIS HB2 1 46 PHE HD1 . . 5.700 3.717 3.717 3.717 . 0 0 "[ ]" 1
427 1 26 HIS HB3 1 27 LYS H . . 5.300 4.304 4.304 4.304 . 0 0 "[ ]" 1
428 1 26 HIS HB3 1 31 ASN HB3 . . 5.700 3.628 3.628 3.628 . 0 0 "[ ]" 1
429 1 26 HIS HB3 1 46 PHE HD1 . . 5.700 5.341 5.341 5.341 . 0 0 "[ ]" 1
430 1 26 HIS HD1 1 44 PRO QD . . 4.970 5.723 5.723 5.723 0.753 1 1 [+] 1
431 1 26 HIS HD1 1 46 PHE HA . . 5.140 4.404 4.404 4.404 . 0 0 "[ ]" 1
432 1 26 HIS HD1 1 46 PHE HB2 . . 4.640 3.288 3.288 3.288 . 0 0 "[ ]" 1
433 1 26 HIS HD1 1 46 PHE HB3 . . 5.700 5.009 5.009 5.009 . 0 0 "[ ]" 1
434 1 26 HIS HD2 1 31 ASN HA . . 5.700 5.203 5.203 5.203 . 0 0 "[ ]" 1
435 1 26 HIS HD2 1 33 HIS HD2 . . 5.700 5.736 5.736 5.736 0.036 1 0 "[ ]" 1
436 1 26 HIS HD2 1 43 ALA HA . . 5.700 4.374 4.374 4.374 . 0 0 "[ ]" 1
437 1 27 LYS H 1 27 LYS QG . . 3.320 2.562 2.562 2.562 . 0 0 "[ ]" 1
438 1 27 LYS H 1 29 GLY H . . 4.640 3.011 3.011 3.011 . 0 0 "[ ]" 1
439 1 27 LYS HA 1 28 THR H . . 4.510 3.510 3.510 3.510 . 0 0 "[ ]" 1
440 1 27 LYS QG 1 28 THR H . . 5.700 4.040 4.040 4.040 . 0 0 "[ ]" 1
441 1 27 LYS QG 1 28 THR HA . . 5.700 6.013 6.013 6.013 0.313 1 0 "[ ]" 1
442 1 28 THR H 1 29 GLY H . . 4.150 1.772 1.772 1.772 . 0 0 "[ ]" 1
443 1 28 THR HB 1 29 GLY H . . 4.350 3.831 3.831 3.831 . 0 0 "[ ]" 1
444 1 28 THR MG 1 80 MET HA . . 5.370 5.011 5.011 5.011 . 0 0 "[ ]" 1
445 1 29 GLY H 1 30 PRO HA . . 5.700 4.700 4.700 4.700 . 0 0 "[ ]" 1
446 1 29 GLY HA2 1 46 PHE HZ . . 4.710 2.830 2.830 2.830 . 0 0 "[ ]" 1
447 1 29 GLY HA3 1 30 PRO HA . . 5.210 4.839 4.839 4.839 . 0 0 "[ ]" 1
448 1 29 GLY HA3 1 46 PHE HZ . . 5.140 4.418 4.418 4.418 . 0 0 "[ ]" 1
449 1 30 PRO HA 1 30 PRO HD3 . . 4.050 3.411 3.411 3.411 . 0 0 "[ ]" 1
450 1 30 PRO HA 1 31 ASN H . . 3.320 2.367 2.367 2.367 . 0 0 "[ ]" 1
451 1 30 PRO HA 1 31 ASN HD22 . . 5.700 5.009 5.009 5.009 . 0 0 "[ ]" 1
452 1 30 PRO HA 1 43 ALA HA . . 5.240 5.290 5.290 5.290 0.050 1 0 "[ ]" 1
453 1 30 PRO HA 1 46 PHE HB2 . . 4.940 3.715 3.715 3.715 . 0 0 "[ ]" 1
454 1 30 PRO HA 1 46 PHE HD1 . . 4.940 5.124 5.124 5.124 0.184 1 0 "[ ]" 1
455 1 30 PRO HA 1 46 PHE HE1 . . 5.700 6.006 6.006 6.006 0.306 1 0 "[ ]" 1
456 1 30 PRO HA 1 46 PHE HZ . . 5.700 5.743 5.743 5.743 0.043 1 0 "[ ]" 1
457 1 30 PRO HA 1 48 TYR HD2 . . 5.700 4.829 4.829 4.829 . 0 0 "[ ]" 1
458 1 30 PRO HB2 1 31 ASN H . . 4.740 2.869 2.869 2.869 . 0 0 "[ ]" 1
459 1 30 PRO HB2 1 31 ASN HD21 . . 5.700 3.344 3.344 3.344 . 0 0 "[ ]" 1
460 1 30 PRO HB2 1 43 ALA MB . . 5.540 2.710 2.710 2.710 . 0 0 "[ ]" 1
461 1 30 PRO HB2 1 48 TYR HD2 . . 5.700 5.004 5.004 5.004 . 0 0 "[ ]" 1
462 1 30 PRO HB3 1 31 ASN H . . 5.300 3.642 3.642 3.642 . 0 0 "[ ]" 1
463 1 30 PRO HB3 1 48 TYR HD2 . . 5.700 3.420 3.420 3.420 . 0 0 "[ ]" 1
464 1 30 PRO QG 1 31 ASN HA . . 5.700 5.043 5.043 5.043 . 0 0 "[ ]" 1
465 1 30 PRO QG 1 32 LEU H . . 5.700 5.205 5.205 5.205 . 0 0 "[ ]" 1
466 1 30 PRO QG 1 48 TYR QB . . 5.370 4.889 4.889 4.889 . 0 0 "[ ]" 1
467 1 30 PRO QG 1 53 LYS QG . . 5.110 5.970 5.970 5.970 0.860 1 1 [+] 1
468 1 31 ASN H 1 31 ASN HB2 . . 3.620 3.581 3.581 3.581 . 0 0 "[ ]" 1
469 1 31 ASN H 1 31 ASN HB3 . . 3.980 2.944 2.944 2.944 . 0 0 "[ ]" 1
470 1 31 ASN H 1 31 ASN HD21 . . 5.700 2.658 2.658 2.658 . 0 0 "[ ]" 1
471 1 31 ASN H 1 32 LEU H . . 4.970 4.615 4.615 4.615 . 0 0 "[ ]" 1
472 1 31 ASN H 1 33 HIS H . . 5.700 4.797 4.797 4.797 . 0 0 "[ ]" 1
473 1 31 ASN H 1 43 ALA MB . . 6.730 3.746 3.746 3.746 . 0 0 "[ ]" 1
474 1 31 ASN HA 1 33 HIS H . . 5.010 4.486 4.486 4.486 . 0 0 "[ ]" 1
475 1 31 ASN HB2 1 33 HIS H . . 4.150 3.791 3.791 3.791 . 0 0 "[ ]" 1
476 1 31 ASN HB3 1 33 HIS QB . . 6.590 5.281 5.281 5.281 . 0 0 "[ ]" 1
477 1 31 ASN HB3 1 44 PRO QD . . 5.700 5.272 5.272 5.272 . 0 0 "[ ]" 1
478 1 31 ASN HD22 1 43 ALA H . . 5.700 5.851 5.851 5.851 0.151 1 0 "[ ]" 1
479 1 31 ASN HD22 1 44 PRO HA . . 5.700 6.067 6.067 6.067 0.367 1 0 "[ ]" 1
480 1 31 ASN HD22 1 44 PRO QG . . 5.700 3.343 3.343 3.343 . 0 0 "[ ]" 1
481 1 32 LEU H 1 32 LEU HB2 . . 3.420 2.339 2.339 2.339 . 0 0 "[ ]" 1
482 1 32 LEU H 1 32 LEU HB3 . . 4.080 3.577 3.577 3.577 . 0 0 "[ ]" 1
483 1 32 LEU H 1 32 LEU MD2 . . 5.700 4.028 4.028 4.028 . 0 0 "[ ]" 1
484 1 32 LEU H 1 32 LEU HG . . 5.170 3.847 3.847 3.847 . 0 0 "[ ]" 1
485 1 32 LEU H 1 33 HIS H . . 3.950 3.612 3.612 3.612 . 0 0 "[ ]" 1
486 1 32 LEU HA 1 32 LEU HB3 . . 3.130 2.581 2.581 2.581 . 0 0 "[ ]" 1
487 1 32 LEU HA 1 32 LEU MD1 . . 4.650 2.830 2.830 2.830 . 0 0 "[ ]" 1
488 1 32 LEU HA 1 33 HIS H . . 4.350 2.377 2.377 2.377 . 0 0 "[ ]" 1
489 1 32 LEU HA 1 98 LEU MD1 . . 6.730 5.930 5.930 5.930 . 0 0 "[ ]" 1
490 1 32 LEU HA 1 98 LEU MD2 . . 6.730 5.142 5.142 5.142 . 0 0 "[ ]" 1
491 1 32 LEU HB3 1 64 LEU QD . . 6.030 4.659 4.659 4.659 . 0 0 "[ ]" 1
492 1 32 LEU HB3 1 101 ALA MB . . 6.730 4.647 4.647 4.647 . 0 0 "[ ]" 1
493 1 32 LEU MD1 1 33 HIS H . . 6.730 4.466 4.466 4.466 . 0 0 "[ ]" 1
494 1 32 LEU MD1 1 64 LEU QD . . 6.830 4.430 4.430 4.430 . 0 0 "[ ]" 1
495 1 32 LEU MD1 1 98 LEU MD1 . . 7.760 4.066 4.066 4.066 . 0 0 "[ ]" 1
496 1 32 LEU MD1 1 98 LEU MD2 . . 6.700 3.815 3.815 3.815 . 0 0 "[ ]" 1
497 1 32 LEU MD1 1 101 ALA MB . . 7.760 5.790 5.790 5.790 . 0 0 "[ ]" 1
498 1 32 LEU MD2 1 64 LEU QD . . 6.530 2.789 2.789 2.789 . 0 0 "[ ]" 1
499 1 32 LEU MD2 1 98 LEU MD2 . . 6.960 2.052 2.052 2.052 . 0 0 "[ ]" 1
500 1 33 HIS H 1 33 HIS HD1 . . 3.190 2.397 2.397 2.397 . 0 0 "[ ]" 1
501 1 33 HIS H 1 33 HIS HD2 . . 4.910 4.143 4.143 4.143 . 0 0 "[ ]" 1
502 1 33 HIS H 1 34 GLY H . . 5.700 4.121 4.121 4.121 . 0 0 "[ ]" 1
503 1 33 HIS H 1 34 GLY HA3 . . 5.670 6.071 6.071 6.071 0.401 1 0 "[ ]" 1
504 1 33 HIS H 1 38 ARG HE . . 6.000 5.482 5.482 5.482 . 0 0 "[ ]" 1
505 1 33 HIS HA 1 34 GLY H . . 3.190 2.240 2.240 2.240 . 0 0 "[ ]" 1
506 1 33 HIS HA 1 34 GLY HA3 . . 5.700 4.204 4.204 4.204 . 0 0 "[ ]" 1
507 1 33 HIS QB 1 43 ALA HA . . 6.590 4.776 4.776 4.776 . 0 0 "[ ]" 1
508 1 33 HIS HD1 1 35 LEU HB2 . . 4.740 4.375 4.375 4.375 . 0 0 "[ ]" 1
509 1 33 HIS HD1 1 35 LEU HG . . 5.700 4.229 4.229 4.229 . 0 0 "[ ]" 1
510 1 33 HIS HD1 1 42 GLN HG3 . . 5.440 5.439 5.439 5.439 . 0 0 "[ ]" 1
511 1 33 HIS HD2 1 38 ARG HE . . 5.700 5.828 5.828 5.828 0.128 1 0 "[ ]" 1
512 1 33 HIS HD2 1 43 ALA HA . . 5.700 2.743 2.743 2.743 . 0 0 "[ ]" 1
513 1 33 HIS HD2 1 43 ALA MB . . 6.730 4.120 4.120 4.120 . 0 0 "[ ]" 1
514 1 33 HIS HE1 1 38 ARG HE . . 5.700 5.705 5.705 5.705 0.005 1 0 "[ ]" 1
515 1 34 GLY H 1 35 LEU H . . 4.480 2.859 2.859 2.859 . 0 0 "[ ]" 1
516 1 34 GLY H 1 102 THR HA . . 5.700 4.268 4.268 4.268 . 0 0 "[ ]" 1
517 1 34 GLY H 1 102 THR MG . . 7.000 5.467 5.467 5.467 . 0 0 "[ ]" 1
518 1 34 GLY HA2 1 102 THR MG . . 5.540 3.776 3.776 3.776 . 0 0 "[ ]" 1
519 1 34 GLY HA3 1 35 LEU HA . . 4.510 4.470 4.470 4.470 . 0 0 "[ ]" 1
520 1 35 LEU H 1 35 LEU HB2 . . 3.260 2.097 2.097 2.097 . 0 0 "[ ]" 1
521 1 35 LEU H 1 35 LEU HB3 . . 4.020 3.317 3.317 3.317 . 0 0 "[ ]" 1
522 1 35 LEU H 1 35 LEU MD1 . . 5.280 2.956 2.956 2.956 . 0 0 "[ ]" 1
523 1 35 LEU H 1 35 LEU HG . . 5.300 4.269 4.269 4.269 . 0 0 "[ ]" 1
524 1 35 LEU H 1 36 PHE H . . 4.640 3.205 3.205 3.205 . 0 0 "[ ]" 1
525 1 35 LEU H 1 36 PHE QD . . 7.550 4.391 4.391 4.391 . 0 0 "[ ]" 1
526 1 35 LEU H 1 98 LEU MD2 . . 7.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
527 1 35 LEU HA 1 36 PHE H . . 4.840 3.567 3.567 3.567 . 0 0 "[ ]" 1
528 1 35 LEU HA 1 36 PHE QD . . 7.220 4.914 4.914 4.914 . 0 0 "[ ]" 1
529 1 35 LEU HA 1 38 ARG QD . . 4.640 4.391 4.391 4.391 . 0 0 "[ ]" 1
530 1 35 LEU HA 1 38 ARG HE . . 5.700 3.367 3.367 3.367 . 0 0 "[ ]" 1
531 1 35 LEU HA 1 38 ARG HG2 . . 5.700 5.207 5.207 5.207 . 0 0 "[ ]" 1
532 1 35 LEU HA 1 38 ARG HG3 . . 4.580 3.889 3.889 3.889 . 0 0 "[ ]" 1
533 1 35 LEU HB2 1 36 PHE H . . 4.410 3.479 3.479 3.479 . 0 0 "[ ]" 1
534 1 35 LEU HB2 1 36 PHE QD . . 7.550 3.600 3.600 3.600 . 0 0 "[ ]" 1
535 1 35 LEU HB2 1 36 PHE QE . . 7.850 4.775 4.775 4.775 . 0 0 "[ ]" 1
536 1 35 LEU HB2 1 59 TRP HB2 . . 5.670 4.916 4.916 4.916 . 0 0 "[ ]" 1
537 1 35 LEU HB3 1 36 PHE H . . 3.420 2.948 2.948 2.948 . 0 0 "[ ]" 1
538 1 35 LEU HB3 1 36 PHE HA . . 4.510 3.706 3.706 3.706 . 0 0 "[ ]" 1
539 1 35 LEU HB3 1 36 PHE HB3 . . 5.700 5.618 5.618 5.618 . 0 0 "[ ]" 1
540 1 35 LEU HB3 1 36 PHE QD . . 6.430 2.699 2.699 2.699 . 0 0 "[ ]" 1
541 1 35 LEU HB3 1 60 LYS H . . 5.700 5.759 5.759 5.759 0.059 1 0 "[ ]" 1
542 1 35 LEU MD1 1 40 THR H . . 6.730 6.180 6.180 6.180 . 0 0 "[ ]" 1
543 1 35 LEU MD1 1 40 THR HA . . 6.730 4.484 4.484 4.484 . 0 0 "[ ]" 1
544 1 35 LEU MD1 1 40 THR MG . . 7.760 6.111 6.111 6.111 . 0 0 "[ ]" 1
545 1 35 LEU MD1 1 42 GLN QB . . 6.230 4.266 4.266 4.266 . 0 0 "[ ]" 1
546 1 35 LEU MD1 1 58 THR MG . . 7.760 6.722 6.722 6.722 . 0 0 "[ ]" 1
547 1 35 LEU MD1 1 95 ILE MD . . 7.760 7.927 7.927 7.927 0.167 1 0 "[ ]" 1
548 1 35 LEU HG 1 36 PHE H . . 5.700 4.803 4.803 4.803 . 0 0 "[ ]" 1
549 1 35 LEU HG 1 36 PHE HA . . 5.700 5.023 5.023 5.023 . 0 0 "[ ]" 1
550 1 35 LEU HG 1 36 PHE QD . . 7.150 5.110 5.110 5.110 . 0 0 "[ ]" 1
551 1 35 LEU HG 1 37 GLY H . . 5.700 5.470 5.470 5.470 . 0 0 "[ ]" 1
552 1 35 LEU HG 1 59 TRP HA . . 5.700 4.829 4.829 4.829 . 0 0 "[ ]" 1
553 1 35 LEU HG 1 59 TRP HB2 . . 3.620 2.415 2.415 2.415 . 0 0 "[ ]" 1
554 1 35 LEU HG 1 59 TRP HB3 . . 5.700 2.667 2.667 2.667 . 0 0 "[ ]" 1
555 1 35 LEU HG 1 59 TRP HD1 . . 5.700 2.372 2.372 2.372 . 0 0 "[ ]" 1
556 1 35 LEU HG 1 59 TRP HE3 . . 5.700 5.234 5.234 5.234 . 0 0 "[ ]" 1
557 1 36 PHE H 1 36 PHE HB2 . . 3.750 2.244 2.244 2.244 . 0 0 "[ ]" 1
558 1 36 PHE H 1 36 PHE HB3 . . 4.020 3.538 3.538 3.538 . 0 0 "[ ]" 1
559 1 36 PHE H 1 37 GLY H . . 4.840 4.268 4.268 4.268 . 0 0 "[ ]" 1
560 1 36 PHE H 1 64 LEU QD . . 6.730 5.080 5.080 5.080 . 0 0 "[ ]" 1
561 1 36 PHE HA 1 37 GLY H . . 3.030 2.006 2.006 2.006 . 0 0 "[ ]" 1
562 1 36 PHE HA 1 37 GLY HA2 . . 4.540 4.270 4.270 4.270 . 0 0 "[ ]" 1
563 1 36 PHE HA 1 38 ARG H . . 4.610 3.605 3.605 3.605 . 0 0 "[ ]" 1
564 1 36 PHE HA 1 59 TRP HB3 . . 4.880 3.777 3.777 3.777 . 0 0 "[ ]" 1
565 1 36 PHE HA 1 60 LYS HA . . 5.600 2.713 2.713 2.713 . 0 0 "[ ]" 1
566 1 36 PHE HB2 1 37 GLY H . . 4.410 4.502 4.502 4.502 0.092 1 0 "[ ]" 1
567 1 36 PHE HB2 1 102 THR MG . . 6.630 2.181 2.181 2.181 . 0 0 "[ ]" 1
568 1 36 PHE HB3 1 37 GLY H . . 4.880 3.780 3.780 3.780 . 0 0 "[ ]" 1
569 1 36 PHE QD 1 37 GLY H . . 7.850 4.434 4.434 4.434 . 0 0 "[ ]" 1
570 1 36 PHE QD 1 59 TRP HB2 . . 7.850 5.397 5.397 5.397 . 0 0 "[ ]" 1
571 1 36 PHE QD 1 60 LYS HA . . 7.550 2.911 2.911 2.911 . 0 0 "[ ]" 1
572 1 36 PHE QD 1 60 LYS HB2 . . 7.220 3.883 3.883 3.883 . 0 0 "[ ]" 1
573 1 36 PHE QD 1 60 LYS QE . . 7.550 7.151 7.151 7.151 . 0 0 "[ ]" 1
574 1 36 PHE QD 1 60 LYS HG3 . . 7.650 5.862 5.862 5.862 . 0 0 "[ ]" 1
575 1 36 PHE QD 1 61 GLU H . . 7.850 3.006 3.006 3.006 . 0 0 "[ ]" 1
576 1 36 PHE QD 1 61 GLU HA . . 7.520 4.459 4.459 4.459 . 0 0 "[ ]" 1
577 1 36 PHE QD 1 61 GLU QB . . 8.440 4.108 4.108 4.108 . 0 0 "[ ]" 1
578 1 36 PHE QD 1 64 LEU QD . . 8.250 3.530 3.530 3.530 . 0 0 "[ ]" 1
579 1 36 PHE QD 1 98 LEU HA . . 7.580 4.631 4.631 4.631 . 0 0 "[ ]" 1
580 1 36 PHE QD 1 99 LYS HA . . 7.850 3.385 3.385 3.385 . 0 0 "[ ]" 1
581 1 36 PHE QD 1 99 LYS QG . . 7.850 4.786 4.786 4.786 . 0 0 "[ ]" 1
582 1 36 PHE QD 1 101 ALA H . . 7.850 6.083 6.083 6.083 . 0 0 "[ ]" 1
583 1 36 PHE QD 1 102 THR MG . . 8.710 3.764 3.764 3.764 . 0 0 "[ ]" 1
584 1 36 PHE QD 1 103 ASN H . . 7.850 7.506 7.506 7.506 . 0 0 "[ ]" 1
585 1 36 PHE QD 1 103 ASN QB . . 7.810 7.836 7.836 7.836 0.026 1 0 "[ ]" 1
586 1 36 PHE QE 1 59 TRP HD1 . . 8.650 7.852 7.852 7.852 . 0 0 "[ ]" 1
587 1 36 PHE QE 1 59 TRP HE3 . . 7.850 5.967 5.967 5.967 . 0 0 "[ ]" 1
588 1 36 PHE QE 1 60 LYS HA . . 7.850 3.654 3.654 3.654 . 0 0 "[ ]" 1
589 1 36 PHE QE 1 61 GLU H . . 7.850 2.640 2.640 2.640 . 0 0 "[ ]" 1
590 1 36 PHE QE 1 61 GLU HA . . 7.850 2.467 2.467 2.467 . 0 0 "[ ]" 1
591 1 36 PHE QE 1 63 THR H . . 7.850 6.209 6.209 6.209 . 0 0 "[ ]" 1
592 1 36 PHE QE 1 64 LEU QD . . 7.590 2.156 2.156 2.156 . 0 0 "[ ]" 1
593 1 36 PHE QE 1 95 ILE HA . . 7.850 3.755 3.755 3.755 . 0 0 "[ ]" 1
594 1 36 PHE QE 1 95 ILE MG . . 8.550 2.533 2.533 2.533 . 0 0 "[ ]" 1
595 1 36 PHE QE 1 98 LEU HA . . 7.850 4.465 4.465 4.465 . 0 0 "[ ]" 1
596 1 36 PHE QE 1 98 LEU MD1 . . 8.880 3.065 3.065 3.065 . 0 0 "[ ]" 1
597 1 36 PHE QE 1 99 LYS HA . . 7.020 3.977 3.977 3.977 . 0 0 "[ ]" 1
598 1 36 PHE QE 1 99 LYS HB2 . . 7.850 3.541 3.541 3.541 . 0 0 "[ ]" 1
599 1 36 PHE QE 1 102 THR H . . 7.850 6.816 6.816 6.816 . 0 0 "[ ]" 1
600 1 36 PHE QE 1 102 THR MG . . 8.880 5.365 5.365 5.365 . 0 0 "[ ]" 1
601 1 36 PHE QE 1 103 ASN QD . . 7.850 6.836 6.836 6.836 . 0 0 "[ ]" 1
602 1 36 PHE HZ 1 60 LYS H . . 5.700 5.717 5.717 5.717 0.017 1 0 "[ ]" 1
603 1 36 PHE HZ 1 61 GLU HA . . 5.700 2.931 2.931 2.931 . 0 0 "[ ]" 1
604 1 36 PHE HZ 1 61 GLU QB . . 6.590 3.945 3.945 3.945 . 0 0 "[ ]" 1
605 1 36 PHE HZ 1 61 GLU QG . . 5.700 5.726 5.726 5.726 0.026 1 0 "[ ]" 1
606 1 36 PHE HZ 1 64 LEU QD . . 5.370 3.071 3.071 3.071 . 0 0 "[ ]" 1
607 1 36 PHE HZ 1 65 MET ME . . 6.730 5.706 5.706 5.706 . 0 0 "[ ]" 1
608 1 36 PHE HZ 1 95 ILE MG . . 4.780 2.616 2.616 2.616 . 0 0 "[ ]" 1
609 1 36 PHE HZ 1 98 LEU QB . . 6.260 3.195 3.195 3.195 . 0 0 "[ ]" 1
610 1 36 PHE HZ 1 98 LEU MD1 . . 6.130 4.243 4.243 4.243 . 0 0 "[ ]" 1
611 1 36 PHE HZ 1 98 LEU MD2 . . 6.730 5.771 5.771 5.771 . 0 0 "[ ]" 1
612 1 36 PHE HZ 1 99 LYS QG . . 5.700 6.371 6.371 6.371 0.671 1 1 [+] 1
613 1 37 GLY H 1 38 ARG H . . 3.320 2.409 2.409 2.409 . 0 0 "[ ]" 1
614 1 37 GLY H 1 58 THR MG . . 6.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
615 1 37 GLY H 1 59 TRP H . . 5.700 4.329 4.329 4.329 . 0 0 "[ ]" 1
616 1 37 GLY H 1 59 TRP HB2 . . 5.700 3.813 3.813 3.813 . 0 0 "[ ]" 1
617 1 37 GLY H 1 60 LYS HB2 . . 5.700 4.627 4.627 4.627 . 0 0 "[ ]" 1
618 1 37 GLY HA2 1 58 THR MG . . 5.800 3.347 3.347 3.347 . 0 0 "[ ]" 1
619 1 37 GLY HA3 1 38 ARG HA . . 5.300 4.448 4.448 4.448 . 0 0 "[ ]" 1
620 1 37 GLY HA3 1 38 ARG HB3 . . 5.700 6.155 6.155 6.155 0.455 1 0 "[ ]" 1
621 1 37 GLY HA3 1 58 THR MG . . 6.730 4.519 4.519 4.519 . 0 0 "[ ]" 1
622 1 38 ARG H 1 38 ARG HB2 . . 3.720 2.476 2.476 2.476 . 0 0 "[ ]" 1
623 1 38 ARG H 1 38 ARG HB3 . . 4.180 3.646 3.646 3.646 . 0 0 "[ ]" 1
624 1 38 ARG H 1 38 ARG HG2 . . 4.680 3.522 3.522 3.522 . 0 0 "[ ]" 1
625 1 38 ARG H 1 39 LYS H . . 4.810 4.550 4.550 4.550 . 0 0 "[ ]" 1
626 1 38 ARG H 1 58 THR MG . . 6.730 4.075 4.075 4.075 . 0 0 "[ ]" 1
627 1 38 ARG HA 1 39 LYS H . . 3.420 2.330 2.330 2.330 . 0 0 "[ ]" 1
628 1 38 ARG HA 1 58 THR MG . . 6.730 3.800 3.800 3.800 . 0 0 "[ ]" 1
629 1 38 ARG HB2 1 38 ARG HG3 . . 2.400 2.403 2.403 2.403 0.003 1 0 "[ ]" 1
630 1 38 ARG HB3 1 38 ARG HG2 . . 2.530 2.600 2.600 2.600 0.070 1 0 "[ ]" 1
631 1 38 ARG HB3 1 42 GLN QB . . 6.160 4.974 4.974 4.974 . 0 0 "[ ]" 1
632 1 38 ARG HB3 1 42 GLN HG3 . . 4.450 3.804 3.804 3.804 . 0 0 "[ ]" 1
633 1 38 ARG HB3 1 58 THR HA . . 5.700 6.108 6.108 6.108 0.408 1 0 "[ ]" 1
634 1 38 ARG QD 1 38 ARG HG3 . . 2.660 2.189 2.189 2.189 . 0 0 "[ ]" 1
635 1 38 ARG QD 1 39 LYS QG . . 5.700 5.082 5.082 5.082 . 0 0 "[ ]" 1
636 1 38 ARG HE 1 39 LYS QG . . 5.700 5.949 5.949 5.949 0.249 1 0 "[ ]" 1
637 1 38 ARG HG2 1 39 LYS H . . 4.780 3.882 3.882 3.882 . 0 0 "[ ]" 1
638 1 38 ARG QH1 1 39 LYS HA . . 6.570 5.713 5.713 5.713 . 0 0 "[ ]" 1
639 1 38 ARG QH1 1 39 LYS HB3 . . 6.570 5.320 5.320 5.320 . 0 0 "[ ]" 1
640 1 39 LYS H 1 39 LYS HB2 . . 3.920 3.673 3.673 3.673 . 0 0 "[ ]" 1
641 1 39 LYS H 1 39 LYS QG . . 4.150 2.003 2.003 2.003 . 0 0 "[ ]" 1
642 1 39 LYS H 1 40 THR H . . 4.680 4.594 4.594 4.594 . 0 0 "[ ]" 1
643 1 39 LYS H 1 42 GLN HG2 . . 5.240 4.907 4.907 4.907 . 0 0 "[ ]" 1
644 1 39 LYS H 1 58 THR HA . . 5.600 4.769 4.769 4.769 . 0 0 "[ ]" 1
645 1 39 LYS HA 1 39 LYS QG . . 3.980 3.401 3.401 3.401 . 0 0 "[ ]" 1
646 1 39 LYS HA 1 40 THR MG . . 6.730 3.770 3.770 3.770 . 0 0 "[ ]" 1
647 1 39 LYS HA 1 58 THR HA . . 3.590 2.331 2.331 2.331 . 0 0 "[ ]" 1
648 1 39 LYS HA 1 58 THR MG . . 5.970 3.439 3.439 3.439 . 0 0 "[ ]" 1
649 1 39 LYS HA 1 59 TRP H . . 5.170 3.194 3.194 3.194 . 0 0 "[ ]" 1
650 1 39 LYS HB2 1 39 LYS HE2 . . 5.700 4.410 4.410 4.410 . 0 0 "[ ]" 1
651 1 39 LYS HB2 1 40 THR H . . 3.360 2.478 2.478 2.478 . 0 0 "[ ]" 1
652 1 39 LYS HB2 1 40 THR MG . . 6.730 3.642 3.642 3.642 . 0 0 "[ ]" 1
653 1 39 LYS HB3 1 40 THR MG . . 6.730 4.930 4.930 4.930 . 0 0 "[ ]" 1
654 1 40 THR H 1 41 GLY H . . 4.610 4.484 4.484 4.484 . 0 0 "[ ]" 1
655 1 40 THR H 1 41 GLY QA . . 5.270 5.009 5.009 5.009 . 0 0 "[ ]" 1
656 1 40 THR H 1 42 GLN HG3 . . 5.700 5.111 5.111 5.111 . 0 0 "[ ]" 1
657 1 40 THR H 1 57 ILE MD . . 6.730 4.038 4.038 4.038 . 0 0 "[ ]" 1
658 1 40 THR H 1 59 TRP H . . 5.700 4.487 4.487 4.487 . 0 0 "[ ]" 1
659 1 40 THR HB 1 41 GLY H . . 5.010 3.570 3.570 3.570 . 0 0 "[ ]" 1
660 1 40 THR HB 1 57 ILE MD . . 5.140 3.425 3.425 3.425 . 0 0 "[ ]" 1
661 1 40 THR HB 1 59 TRP HE1 . . 5.300 2.301 2.301 2.301 . 0 0 "[ ]" 1
662 1 40 THR MG 1 56 GLY H . . 6.730 2.681 2.681 2.681 . 0 0 "[ ]" 1
663 1 40 THR MG 1 57 ILE HA . . 6.730 4.790 4.790 4.790 . 0 0 "[ ]" 1
664 1 40 THR MG 1 59 TRP HD1 . . 6.730 4.715 4.715 4.715 . 0 0 "[ ]" 1
665 1 40 THR MG 1 59 TRP HZ2 . . 6.730 4.160 4.160 4.160 . 0 0 "[ ]" 1
666 1 41 GLY H 1 42 GLN HA . . 6.500 5.312 5.312 5.312 . 0 0 "[ ]" 1
667 1 41 GLY H 1 42 GLN QB . . 5.860 4.234 4.234 4.234 . 0 0 "[ ]" 1
668 1 41 GLY H 1 53 LYS QB . . 6.590 3.346 3.346 3.346 . 0 0 "[ ]" 1
669 1 41 GLY H 1 59 TRP HE1 . . 5.700 4.608 4.608 4.608 . 0 0 "[ ]" 1
670 1 41 GLY QA 1 42 GLN HA . . 3.920 4.126 4.126 4.126 0.206 1 0 "[ ]" 1
671 1 41 GLY QA 1 42 GLN QB . . 5.300 4.388 4.388 4.388 . 0 0 "[ ]" 1
672 1 41 GLY QA 1 43 ALA MB . . 5.940 4.939 4.939 4.939 . 0 0 "[ ]" 1
673 1 41 GLY QA 1 53 LYS HA . . 3.790 3.264 3.264 3.264 . 0 0 "[ ]" 1
674 1 41 GLY QA 1 53 LYS QB . . 6.590 2.014 2.014 2.014 . 0 0 "[ ]" 1
675 1 41 GLY QA 1 54 ASN HA . . 5.110 5.933 5.933 5.933 0.823 1 1 [+] 1
676 1 41 GLY QA 1 56 GLY H . . 5.700 5.902 5.902 5.902 0.202 1 0 "[ ]" 1
677 1 42 GLN H 1 42 GLN HG2 . . 4.050 3.109 3.109 3.109 . 0 0 "[ ]" 1
678 1 42 GLN H 1 42 GLN HG3 . . 5.700 4.199 4.199 4.199 . 0 0 "[ ]" 1
679 1 42 GLN H 1 53 LYS HA . . 5.700 5.628 5.628 5.628 . 0 0 "[ ]" 1
680 1 42 GLN HA 1 42 GLN HG2 . . 4.080 3.071 3.071 3.071 . 0 0 "[ ]" 1
681 1 42 GLN HA 1 43 ALA H . . 3.550 3.429 3.429 3.429 . 0 0 "[ ]" 1
682 1 43 ALA HA 1 44 PRO QG . . 4.310 4.086 4.086 4.086 . 0 0 "[ ]" 1
683 1 43 ALA HA 1 48 TYR HE2 . . 5.700 4.734 4.734 4.734 . 0 0 "[ ]" 1
684 1 43 ALA MB 1 46 PHE HB3 . . 6.730 2.098 2.098 2.098 . 0 0 "[ ]" 1
685 1 43 ALA MB 1 48 TYR HD2 . . 4.620 3.812 3.812 3.812 . 0 0 "[ ]" 1
686 1 44 PRO HA 1 44 PRO QD . . 3.590 3.425 3.425 3.425 . 0 0 "[ ]" 1
687 1 44 PRO HA 1 44 PRO QG . . 3.030 3.525 3.525 3.525 0.495 1 0 "[ ]" 1
688 1 44 PRO HA 1 46 PHE H . . 5.700 4.404 4.404 4.404 . 0 0 "[ ]" 1
689 1 44 PRO QD 1 46 PHE HB3 . . 5.500 3.997 3.997 3.997 . 0 0 "[ ]" 1
690 1 45 GLY H 1 46 PHE H . . 4.280 2.645 2.645 2.645 . 0 0 "[ ]" 1
691 1 45 GLY HA2 1 46 PHE HA . . 5.700 4.842 4.842 4.842 . 0 0 "[ ]" 1
692 1 46 PHE H 1 46 PHE HB2 . . 3.790 2.661 2.661 2.661 . 0 0 "[ ]" 1
693 1 46 PHE H 1 46 PHE HB3 . . 3.460 2.490 2.490 2.490 . 0 0 "[ ]" 1
694 1 46 PHE H 1 46 PHE HD1 . . 6.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
695 1 46 PHE HA 1 46 PHE HB2 . . 2.430 2.422 2.422 2.422 . 0 0 "[ ]" 1
696 1 46 PHE HB2 1 48 TYR HD2 . . 8.000 5.553 5.553 5.553 . 0 0 "[ ]" 1
697 1 46 PHE HB3 1 46 PHE HD1 . . 3.690 3.750 3.750 3.750 0.060 1 0 "[ ]" 1
698 1 46 PHE HB3 1 48 TYR HD2 . . 5.700 4.194 4.194 4.194 . 0 0 "[ ]" 1
699 1 46 PHE HD2 1 47 THR HB . . 7.000 7.351 7.351 7.351 0.351 1 0 "[ ]" 1
700 1 46 PHE HD2 1 48 TYR HD1 . . 8.000 5.581 5.581 5.581 . 0 0 "[ ]" 1
701 1 46 PHE HD2 1 48 TYR HD2 . . 5.700 2.153 2.153 2.153 . 0 0 "[ ]" 1
702 1 46 PHE HE1 1 48 TYR HA . . 5.700 5.693 5.693 5.693 . 0 0 "[ ]" 1
703 1 46 PHE HE1 1 48 TYR QB . . 5.700 5.187 5.187 5.187 . 0 0 "[ ]" 1
704 1 46 PHE HE1 1 48 TYR HD2 . . 5.700 6.022 6.022 6.022 0.322 1 0 "[ ]" 1
705 1 46 PHE HE2 1 48 TYR HA . . 5.700 4.463 4.463 4.463 . 0 0 "[ ]" 1
706 1 46 PHE HE2 1 48 TYR QB . . 5.570 2.501 2.501 2.501 . 0 0 "[ ]" 1
707 1 46 PHE HZ 1 48 TYR HA . . 5.700 4.598 4.598 4.598 . 0 0 "[ ]" 1
708 1 46 PHE HZ 1 48 TYR HD2 . . 4.510 4.550 4.550 4.550 0.040 1 0 "[ ]" 1
709 1 46 PHE HZ 1 48 TYR HE2 . . 8.000 6.778 6.778 6.778 . 0 0 "[ ]" 1
710 1 47 THR H 1 47 THR HB . . 3.850 2.460 2.460 2.460 . 0 0 "[ ]" 1
711 1 47 THR H 1 48 TYR H . . 5.700 3.864 3.864 3.864 . 0 0 "[ ]" 1
712 1 47 THR HA 1 48 TYR HD2 . . 5.700 5.750 5.750 5.750 0.050 1 0 "[ ]" 1
713 1 47 THR HA 1 48 TYR HE1 . . 8.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
714 1 47 THR MG 1 48 TYR HA . . 6.730 4.475 4.475 4.475 . 0 0 "[ ]" 1
715 1 47 THR MG 1 48 TYR QB . . 6.730 5.267 5.267 5.267 . 0 0 "[ ]" 1
716 1 48 TYR H 1 48 TYR QB . . 3.460 2.773 2.773 2.773 . 0 0 "[ ]" 1
717 1 48 TYR H 1 49 THR H . . 5.300 4.566 4.566 4.566 . 0 0 "[ ]" 1
718 1 48 TYR HA 1 49 THR H . . 3.520 2.635 2.635 2.635 . 0 0 "[ ]" 1
719 1 48 TYR QB 1 49 THR H . . 4.080 2.109 2.109 2.109 . 0 0 "[ ]" 1
720 1 48 TYR QB 1 50 ASP H . . 5.700 6.021 6.021 6.021 0.321 1 0 "[ ]" 1
721 1 48 TYR QB 1 52 ASN QB . . 6.290 4.172 4.172 4.172 . 0 0 "[ ]" 1
722 1 48 TYR HD2 1 53 LYS QG . . 5.700 5.401 5.401 5.401 . 0 0 "[ ]" 1
723 1 48 TYR HE1 1 53 LYS QG . . 4.580 2.326 2.326 2.326 . 0 0 "[ ]" 1
724 1 48 TYR HH 1 53 LYS HA . . 5.700 5.748 5.748 5.748 0.048 1 0 "[ ]" 1
725 1 49 THR H 1 52 ASN QB . . 6.590 4.643 4.643 4.643 . 0 0 "[ ]" 1
726 1 49 THR HA 1 50 ASP H . . 3.460 2.360 2.360 2.360 . 0 0 "[ ]" 1
727 1 49 THR HA 1 50 ASP QB . . 6.590 4.211 4.211 4.211 . 0 0 "[ ]" 1
728 1 49 THR HB 1 50 ASP H . . 4.580 2.683 2.683 2.683 . 0 0 "[ ]" 1
729 1 49 THR HB 1 50 ASP QB . . 6.590 4.392 4.392 4.392 . 0 0 "[ ]" 1
730 1 49 THR HG1 1 52 ASN HA . . 5.700 5.809 5.809 5.809 0.109 1 0 "[ ]" 1
731 1 49 THR HG1 1 52 ASN QB . . 6.590 3.920 3.920 3.920 . 0 0 "[ ]" 1
732 1 49 THR HG1 1 77 GLY H . . 5.700 5.710 5.710 5.710 0.010 1 0 "[ ]" 1
733 1 49 THR HG1 1 78 THR MG . . 6.730 4.947 4.947 4.947 . 0 0 "[ ]" 1
734 1 50 ASP H 1 51 ALA H . . 4.970 2.775 2.775 2.775 . 0 0 "[ ]" 1
735 1 50 ASP H 1 52 ASN H . . 5.700 4.919 4.919 4.919 . 0 0 "[ ]" 1
736 1 50 ASP HA 1 52 ASN H . . 5.670 4.613 4.613 4.613 . 0 0 "[ ]" 1
737 1 50 ASP HA 1 53 LYS H . . 5.040 4.556 4.556 4.556 . 0 0 "[ ]" 1
738 1 50 ASP HA 1 53 LYS QB . . 6.590 4.461 4.461 4.461 . 0 0 "[ ]" 1
739 1 50 ASP HA 1 54 ASN H . . 5.700 4.491 4.491 4.491 . 0 0 "[ ]" 1
740 1 50 ASP QB 1 51 ALA H . . 6.590 2.660 2.660 2.660 . 0 0 "[ ]" 1
741 1 51 ALA H 1 52 ASN H . . 5.700 3.019 3.019 3.019 . 0 0 "[ ]" 1
742 1 51 ALA H 1 52 ASN QB . . 6.520 4.777 4.777 4.777 . 0 0 "[ ]" 1
743 1 51 ALA H 1 53 LYS H . . 5.700 5.148 5.148 5.148 . 0 0 "[ ]" 1
744 1 51 ALA HA 1 52 ASN H . . 5.700 3.591 3.591 3.591 . 0 0 "[ ]" 1
745 1 51 ALA HA 1 54 ASN H . . 5.540 3.704 3.704 3.704 . 0 0 "[ ]" 1
746 1 51 ALA HA 1 54 ASN HB2 . . 5.700 3.318 3.318 3.318 . 0 0 "[ ]" 1
747 1 51 ALA HA 1 54 ASN HB3 . . 4.680 2.350 2.350 2.350 . 0 0 "[ ]" 1
748 1 51 ALA HA 1 55 LYS H . . 5.210 3.854 3.854 3.854 . 0 0 "[ ]" 1
749 1 51 ALA MB 1 52 ASN H . . 5.080 2.733 2.733 2.733 . 0 0 "[ ]" 1
750 1 51 ALA MB 1 76 PRO HD2 . . 6.330 3.970 3.970 3.970 . 0 0 "[ ]" 1
751 1 52 ASN H 1 53 LYS H . . 3.790 3.046 3.046 3.046 . 0 0 "[ ]" 1
752 1 52 ASN H 1 54 ASN H . . 4.680 4.143 4.143 4.143 . 0 0 "[ ]" 1
753 1 52 ASN H 1 55 LYS H . . 5.140 4.751 4.751 4.751 . 0 0 "[ ]" 1
754 1 52 ASN H 1 75 ILE MG . . 6.730 5.851 5.851 5.851 . 0 0 "[ ]" 1
755 1 52 ASN HA 1 53 LYS H . . 4.080 3.583 3.583 3.583 . 0 0 "[ ]" 1
756 1 52 ASN HA 1 54 ASN H . . 5.170 4.593 4.593 4.593 . 0 0 "[ ]" 1
757 1 52 ASN HA 1 55 LYS H . . 4.740 3.758 3.758 3.758 . 0 0 "[ ]" 1
758 1 52 ASN HA 1 56 GLY H . . 5.040 5.048 5.048 5.048 0.008 1 0 "[ ]" 1
759 1 52 ASN HA 1 75 ILE HA . . 5.470 5.477 5.477 5.477 0.007 1 0 "[ ]" 1
760 1 52 ASN HA 1 78 THR HG1 . . 5.700 4.449 4.449 4.449 . 0 0 "[ ]" 1
761 1 52 ASN QB 1 53 LYS H . . 4.310 2.255 2.255 2.255 . 0 0 "[ ]" 1
762 1 52 ASN QB 1 53 LYS HA . . 5.330 4.335 4.335 4.335 . 0 0 "[ ]" 1
763 1 52 ASN QB 1 54 ASN HB2 . . 6.590 6.217 6.217 6.217 . 0 0 "[ ]" 1
764 1 52 ASN QB 1 55 LYS HB2 . . 6.590 5.040 5.040 5.040 . 0 0 "[ ]" 1
765 1 52 ASN QB 1 67 TYR QE . . 6.590 4.754 4.754 4.754 . 0 0 "[ ]" 1
766 1 52 ASN QB 1 78 THR MG . . 7.620 4.276 4.276 4.276 . 0 0 "[ ]" 1
767 1 53 LYS H 1 53 LYS QB . . 3.690 2.953 2.953 2.953 . 0 0 "[ ]" 1
768 1 53 LYS H 1 53 LYS QG . . 3.320 2.353 2.353 2.353 . 0 0 "[ ]" 1
769 1 53 LYS H 1 54 ASN H . . 3.190 2.819 2.819 2.819 . 0 0 "[ ]" 1
770 1 53 LYS H 1 55 LYS H . . 4.610 4.401 4.401 4.401 . 0 0 "[ ]" 1
771 1 53 LYS HA 1 54 ASN H . . 4.380 3.518 3.518 3.518 . 0 0 "[ ]" 1
772 1 53 LYS HA 1 54 ASN HA . . 5.140 4.847 4.847 4.847 . 0 0 "[ ]" 1
773 1 53 LYS HA 1 55 LYS H . . 5.340 4.491 4.491 4.491 . 0 0 "[ ]" 1
774 1 53 LYS QB 1 54 ASN H . . 4.480 2.556 2.556 2.556 . 0 0 "[ ]" 1
775 1 53 LYS QB 1 54 ASN HB2 . . 6.590 3.760 3.760 3.760 . 0 0 "[ ]" 1
776 1 53 LYS QB 1 55 LYS H . . 5.830 4.789 4.789 4.789 . 0 0 "[ ]" 1
777 1 53 LYS QB 1 56 GLY H . . 6.590 4.631 4.631 4.631 . 0 0 "[ ]" 1
778 1 53 LYS HE2 1 54 ASN HB2 . . 5.700 5.612 5.612 5.612 . 0 0 "[ ]" 1
779 1 53 LYS QG 1 55 LYS H . . 5.700 5.970 5.970 5.970 0.270 1 0 "[ ]" 1
780 1 54 ASN H 1 54 ASN HB2 . . 3.190 2.207 2.207 2.207 . 0 0 "[ ]" 1
781 1 54 ASN H 1 54 ASN HB3 . . 3.360 2.569 2.569 2.569 . 0 0 "[ ]" 1
782 1 54 ASN H 1 55 LYS H . . 3.320 2.802 2.802 2.802 . 0 0 "[ ]" 1
783 1 54 ASN H 1 56 GLY H . . 5.700 4.148 4.148 4.148 . 0 0 "[ ]" 1
784 1 54 ASN HA 1 56 GLY H . . 5.700 4.038 4.038 4.038 . 0 0 "[ ]" 1
785 1 54 ASN HB3 1 55 LYS H . . 3.520 2.681 2.681 2.681 . 0 0 "[ ]" 1
786 1 55 LYS H 1 55 LYS HB2 . . 3.320 2.201 2.201 2.201 . 0 0 "[ ]" 1
787 1 55 LYS H 1 55 LYS HB3 . . 3.880 3.514 3.514 3.514 . 0 0 "[ ]" 1
788 1 55 LYS H 1 55 LYS HD2 . . 5.670 5.305 5.305 5.305 . 0 0 "[ ]" 1
789 1 55 LYS H 1 55 LYS HG2 . . 5.370 2.985 2.985 2.985 . 0 0 "[ ]" 1
790 1 55 LYS H 1 56 GLY H . . 3.460 2.794 2.794 2.794 . 0 0 "[ ]" 1
791 1 55 LYS HA 1 55 LYS HE2 . . 5.700 2.140 2.140 2.140 . 0 0 "[ ]" 1
792 1 55 LYS HA 1 56 GLY H . . 4.120 3.446 3.446 3.446 . 0 0 "[ ]" 1
793 1 55 LYS HB2 1 55 LYS HE2 . . 4.250 3.779 3.779 3.779 . 0 0 "[ ]" 1
794 1 55 LYS HB2 1 56 GLY H . . 4.880 3.416 3.416 3.416 . 0 0 "[ ]" 1
795 1 55 LYS HE2 1 56 GLY H . . 5.700 4.877 4.877 4.877 . 0 0 "[ ]" 1
796 1 55 LYS HG2 1 56 GLY H . . 5.440 5.010 5.010 5.010 . 0 0 "[ ]" 1
797 1 56 GLY H 1 57 ILE H . . 4.610 3.125 3.125 3.125 . 0 0 "[ ]" 1
798 1 56 GLY HA2 1 57 ILE H . . 4.380 3.200 3.200 3.200 . 0 0 "[ ]" 1
799 1 56 GLY HA2 1 57 ILE HA . . 5.040 4.922 4.922 4.922 . 0 0 "[ ]" 1
800 1 56 GLY HA3 1 57 ILE H . . 4.410 3.400 3.400 3.400 . 0 0 "[ ]" 1
801 1 57 ILE H 1 57 ILE HB . . 4.280 3.596 3.596 3.596 . 0 0 "[ ]" 1
802 1 57 ILE H 1 57 ILE QG . . 3.720 2.116 2.116 2.116 . 0 0 "[ ]" 1
803 1 57 ILE H 1 57 ILE MG . . 4.650 2.196 2.196 2.196 . 0 0 "[ ]" 1
804 1 57 ILE H 1 58 THR H . . 4.780 3.301 3.301 3.301 . 0 0 "[ ]" 1
805 1 57 ILE H 1 58 THR HA . . 5.700 5.519 5.519 5.519 . 0 0 "[ ]" 1
806 1 57 ILE H 1 63 THR MG . . 6.730 6.029 6.029 6.029 . 0 0 "[ ]" 1
807 1 57 ILE HA 1 57 ILE HB . . 2.730 2.551 2.551 2.551 . 0 0 "[ ]" 1
808 1 57 ILE HA 1 58 THR H . . 3.490 3.244 3.244 3.244 . 0 0 "[ ]" 1
809 1 57 ILE MD 1 58 THR MG . . 7.760 4.685 4.685 4.685 . 0 0 "[ ]" 1
810 1 57 ILE MD 1 59 TRP H . . 6.030 3.871 3.871 3.871 . 0 0 "[ ]" 1
811 1 57 ILE MD 1 59 TRP HA . . 6.130 3.351 3.351 3.351 . 0 0 "[ ]" 1
812 1 57 ILE MD 1 59 TRP HE1 . . 6.730 4.085 4.085 4.085 . 0 0 "[ ]" 1
813 1 57 ILE MD 1 59 TRP HE3 . . 6.200 3.353 3.353 3.353 . 0 0 "[ ]" 1
814 1 57 ILE MD 1 59 TRP HH2 . . 6.100 3.056 3.056 3.056 . 0 0 "[ ]" 1
815 1 57 ILE MD 1 59 TRP HZ2 . . 6.730 3.139 3.139 3.139 . 0 0 "[ ]" 1
816 1 57 ILE MD 1 59 TRP HZ3 . . 5.410 3.210 3.210 3.210 . 0 0 "[ ]" 1
817 1 57 ILE MD 1 60 LYS H . . 6.730 4.642 4.642 4.642 . 0 0 "[ ]" 1
818 1 57 ILE MD 1 63 THR HA . . 6.730 4.613 4.613 4.613 . 0 0 "[ ]" 1
819 1 57 ILE MD 1 63 THR HB . . 5.140 2.504 2.504 2.504 . 0 0 "[ ]" 1
820 1 57 ILE MD 1 63 THR HG1 . . 6.300 3.034 3.034 3.034 . 0 0 "[ ]" 1
821 1 57 ILE MD 1 63 THR MG . . 6.900 3.295 3.295 3.295 . 0 0 "[ ]" 1
822 1 57 ILE MD 1 64 LEU H . . 6.730 5.257 5.257 5.257 . 0 0 "[ ]" 1
823 1 57 ILE MD 1 64 LEU QD . . 6.370 5.171 5.171 5.171 . 0 0 "[ ]" 1
824 1 57 ILE MD 1 74 TYR HD2 . . 6.730 4.254 4.254 4.254 . 0 0 "[ ]" 1
825 1 57 ILE MD 1 74 TYR HE2 . . 5.140 2.848 2.848 2.848 . 0 0 "[ ]" 1
826 1 57 ILE MD 1 75 ILE MD . . 7.760 3.150 3.150 3.150 . 0 0 "[ ]" 1
827 1 57 ILE QG 1 58 THR H . . 5.040 3.969 3.969 3.969 . 0 0 "[ ]" 1
828 1 57 ILE QG 1 59 TRP HE1 . . 5.700 5.740 5.740 5.740 0.040 1 0 "[ ]" 1
829 1 57 ILE QG 1 59 TRP HE3 . . 5.700 5.290 5.290 5.290 . 0 0 "[ ]" 1
830 1 57 ILE QG 1 59 TRP HH2 . . 5.700 3.965 3.965 3.965 . 0 0 "[ ]" 1
831 1 57 ILE QG 1 59 TRP HZ2 . . 4.510 4.396 4.396 4.396 . 0 0 "[ ]" 1
832 1 57 ILE QG 1 59 TRP HZ3 . . 5.700 4.387 4.387 4.387 . 0 0 "[ ]" 1
833 1 57 ILE QG 1 63 THR HB . . 4.880 3.802 3.802 3.802 . 0 0 "[ ]" 1
834 1 57 ILE QG 1 64 LEU QD . . 6.730 6.584 6.584 6.584 . 0 0 "[ ]" 1
835 1 57 ILE QG 1 74 TYR HE2 . . 4.880 2.624 2.624 2.624 . 0 0 "[ ]" 1
836 1 57 ILE QG 1 75 ILE QG . . 5.700 3.629 3.629 3.629 . 0 0 "[ ]" 1
837 1 58 THR H 1 58 THR HA . . 2.860 2.273 2.273 2.273 . 0 0 "[ ]" 1
838 1 58 THR H 1 58 THR HB . . 4.020 3.580 3.580 3.580 . 0 0 "[ ]" 1
839 1 58 THR H 1 59 TRP H . . 5.600 4.004 4.004 4.004 . 0 0 "[ ]" 1
840 1 58 THR HA 1 59 TRP H . . 3.190 2.105 2.105 2.105 . 0 0 "[ ]" 1
841 1 58 THR HB 1 60 LYS QE . . 4.180 4.085 4.085 4.085 . 0 0 "[ ]" 1
842 1 58 THR HB 1 63 THR HG1 . . 5.700 4.382 4.382 4.382 . 0 0 "[ ]" 1
843 1 58 THR MG 1 59 TRP HA . . 6.730 4.292 4.292 4.292 . 0 0 "[ ]" 1
844 1 58 THR MG 1 59 TRP HB2 . . 6.730 4.376 4.376 4.376 . 0 0 "[ ]" 1
845 1 58 THR MG 1 60 LYS H . . 6.730 4.732 4.732 4.732 . 0 0 "[ ]" 1
846 1 58 THR MG 1 60 LYS HB3 . . 6.430 3.631 3.631 3.631 . 0 0 "[ ]" 1
847 1 59 TRP H 1 59 TRP HB2 . . 3.620 2.312 2.312 2.312 . 0 0 "[ ]" 1
848 1 59 TRP H 1 59 TRP HB3 . . 4.280 3.564 3.564 3.564 . 0 0 "[ ]" 1
849 1 59 TRP H 1 59 TRP HD1 . . 5.700 3.462 3.462 3.462 . 0 0 "[ ]" 1
850 1 59 TRP H 1 60 LYS H . . 4.640 4.494 4.494 4.494 . 0 0 "[ ]" 1
851 1 59 TRP HA 1 59 TRP HE3 . . 3.460 2.141 2.141 2.141 . 0 0 "[ ]" 1
852 1 59 TRP HA 1 60 LYS H . . 3.290 2.077 2.077 2.077 . 0 0 "[ ]" 1
853 1 59 TRP HA 1 63 THR HG1 . . 4.210 2.271 2.271 2.271 . 0 0 "[ ]" 1
854 1 59 TRP HA 1 63 THR MG . . 6.730 4.008 4.008 4.008 . 0 0 "[ ]" 1
855 1 59 TRP HA 1 64 LEU H . . 4.940 4.202 4.202 4.202 . 0 0 "[ ]" 1
856 1 59 TRP HA 1 64 LEU QD . . 6.730 4.279 4.279 4.279 . 0 0 "[ ]" 1
857 1 59 TRP HA 1 64 LEU HG . . 5.700 4.717 4.717 4.717 . 0 0 "[ ]" 1
858 1 59 TRP HB2 1 64 LEU QD . . 6.400 4.619 4.619 4.619 . 0 0 "[ ]" 1
859 1 59 TRP HB3 1 64 LEU QD . . 6.200 3.148 3.148 3.148 . 0 0 "[ ]" 1
860 1 59 TRP HE3 1 60 LYS H . . 5.700 2.962 2.962 2.962 . 0 0 "[ ]" 1
861 1 59 TRP HE3 1 63 THR HA . . 5.700 5.076 5.076 5.076 . 0 0 "[ ]" 1
862 1 59 TRP HE3 1 63 THR HB . . 5.700 3.686 3.686 3.686 . 0 0 "[ ]" 1
863 1 59 TRP HE3 1 63 THR HG1 . . 5.700 3.304 3.304 3.304 . 0 0 "[ ]" 1
864 1 59 TRP HE3 1 63 THR MG . . 6.730 4.595 4.595 4.595 . 0 0 "[ ]" 1
865 1 59 TRP HE3 1 64 LEU H . . 5.700 3.351 3.351 3.351 . 0 0 "[ ]" 1
866 1 59 TRP HE3 1 64 LEU HA . . 5.700 3.351 3.351 3.351 . 0 0 "[ ]" 1
867 1 59 TRP HE3 1 64 LEU QB . . 6.590 2.969 2.969 2.969 . 0 0 "[ ]" 1
868 1 59 TRP HE3 1 64 LEU QD . . 5.470 3.376 3.376 3.376 . 0 0 "[ ]" 1
869 1 59 TRP HE3 1 64 LEU HG . . 3.880 2.830 2.830 2.830 . 0 0 "[ ]" 1
870 1 59 TRP HE3 1 67 TYR HB2 . . 5.700 4.743 4.743 4.743 . 0 0 "[ ]" 1
871 1 59 TRP HE3 1 67 TYR HD2 . . 5.700 5.289 5.289 5.289 . 0 0 "[ ]" 1
872 1 59 TRP HH2 1 64 LEU HA . . 5.700 4.664 4.664 4.664 . 0 0 "[ ]" 1
873 1 59 TRP HH2 1 64 LEU HG . . 5.700 4.718 4.718 4.718 . 0 0 "[ ]" 1
874 1 59 TRP HH2 1 67 TYR H . . 5.700 5.436 5.436 5.436 . 0 0 "[ ]" 1
875 1 59 TRP HH2 1 67 TYR HA . . 5.700 4.798 4.798 4.798 . 0 0 "[ ]" 1
876 1 59 TRP HH2 1 67 TYR HB2 . . 4.380 2.913 2.913 2.913 . 0 0 "[ ]" 1
877 1 59 TRP HH2 1 67 TYR HB3 . . 5.340 3.630 3.630 3.630 . 0 0 "[ ]" 1
878 1 59 TRP HH2 1 67 TYR HD2 . . 4.210 3.875 3.875 3.875 . 0 0 "[ ]" 1
879 1 59 TRP HH2 1 74 TYR HD2 . . 5.700 3.834 3.834 3.834 . 0 0 "[ ]" 1
880 1 59 TRP HH2 1 74 TYR HE2 . . 5.700 4.310 4.310 4.310 . 0 0 "[ ]" 1
881 1 59 TRP HH2 1 75 ILE MG . . 6.730 4.557 4.557 4.557 . 0 0 "[ ]" 1
882 1 59 TRP HZ2 1 78 THR HG1 . . 5.700 5.660 5.660 5.660 . 0 0 "[ ]" 1
883 1 59 TRP HZ3 1 63 THR H . . 5.700 5.739 5.739 5.739 0.039 1 0 "[ ]" 1
884 1 59 TRP HZ3 1 63 THR HB . . 5.700 3.595 3.595 3.595 . 0 0 "[ ]" 1
885 1 59 TRP HZ3 1 64 LEU HA . . 4.680 2.549 2.549 2.549 . 0 0 "[ ]" 1
886 1 59 TRP HZ3 1 64 LEU QD . . 5.140 3.788 3.788 3.788 . 0 0 "[ ]" 1
887 1 59 TRP HZ3 1 64 LEU HG . . 4.510 3.214 3.214 3.214 . 0 0 "[ ]" 1
888 1 59 TRP HZ3 1 67 TYR HA . . 5.540 4.673 4.673 4.673 . 0 0 "[ ]" 1
889 1 59 TRP HZ3 1 67 TYR HB2 . . 3.950 2.338 2.338 2.338 . 0 0 "[ ]" 1
890 1 59 TRP HZ3 1 67 TYR HB3 . . 4.880 2.420 2.420 2.420 . 0 0 "[ ]" 1
891 1 59 TRP HZ3 1 67 TYR HD1 . . 4.280 4.290 4.290 4.290 0.010 1 0 "[ ]" 1
892 1 59 TRP HZ3 1 67 TYR HD2 . . 5.700 3.722 3.722 3.722 . 0 0 "[ ]" 1
893 1 59 TRP HZ3 1 68 LEU QD . . 6.730 5.223 5.223 5.223 . 0 0 "[ ]" 1
894 1 60 LYS H 1 60 LYS HB3 . . 3.750 3.578 3.578 3.578 . 0 0 "[ ]" 1
895 1 60 LYS H 1 60 LYS QD . . 5.700 4.679 4.679 4.679 . 0 0 "[ ]" 1
896 1 60 LYS H 1 60 LYS QE . . 5.700 4.752 4.752 4.752 . 0 0 "[ ]" 1
897 1 60 LYS H 1 60 LYS HG3 . . 4.450 3.202 3.202 3.202 . 0 0 "[ ]" 1
898 1 60 LYS H 1 61 GLU H . . 5.700 4.335 4.335 4.335 . 0 0 "[ ]" 1
899 1 60 LYS H 1 63 THR HG1 . . 5.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
900 1 60 LYS H 1 64 LEU QD . . 6.660 4.050 4.050 4.050 . 0 0 "[ ]" 1
901 1 60 LYS HA 1 61 GLU H . . 3.790 2.597 2.597 2.597 . 0 0 "[ ]" 1
902 1 60 LYS HA 1 61 GLU HA . . 5.170 4.304 4.304 4.304 . 0 0 "[ ]" 1
903 1 60 LYS HA 1 62 GLU H . . 5.700 5.041 5.041 5.041 . 0 0 "[ ]" 1
904 1 60 LYS HB2 1 63 THR HG1 . . 5.700 5.318 5.318 5.318 . 0 0 "[ ]" 1
905 1 60 LYS QD 1 61 GLU H . . 5.470 3.887 3.887 3.887 . 0 0 "[ ]" 1
906 1 60 LYS QD 1 61 GLU QG . . 4.610 3.471 3.471 3.471 . 0 0 "[ ]" 1
907 1 60 LYS QD 1 62 GLU H . . 5.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
908 1 60 LYS QD 1 62 GLU QG . . 4.780 4.037 4.037 4.037 . 0 0 "[ ]" 1
909 1 60 LYS QD 1 63 THR H . . 5.700 4.281 4.281 4.281 . 0 0 "[ ]" 1
910 1 60 LYS QD 1 63 THR HG1 . . 5.700 4.773 4.773 4.773 . 0 0 "[ ]" 1
911 1 60 LYS QE 1 61 GLU H . . 5.700 5.202 5.202 5.202 . 0 0 "[ ]" 1
912 1 60 LYS QE 1 62 GLU H . . 5.700 3.769 3.769 3.769 . 0 0 "[ ]" 1
913 1 60 LYS QE 1 63 THR MG . . 5.410 2.133 2.133 2.133 . 0 0 "[ ]" 1
914 1 60 LYS HG3 1 61 GLU H . . 5.700 3.492 3.492 3.492 . 0 0 "[ ]" 1
915 1 60 LYS HG3 1 62 GLU H . . 4.970 2.847 2.847 2.847 . 0 0 "[ ]" 1
916 1 60 LYS HG3 1 62 GLU QB . . 5.370 2.707 2.707 2.707 . 0 0 "[ ]" 1
917 1 60 LYS HG3 1 62 GLU QG . . 5.700 4.171 4.171 4.171 . 0 0 "[ ]" 1
918 1 61 GLU H 1 61 GLU QG . . 4.180 2.394 2.394 2.394 . 0 0 "[ ]" 1
919 1 61 GLU H 1 62 GLU H . . 3.820 3.155 3.155 3.155 . 0 0 "[ ]" 1
920 1 61 GLU H 1 62 GLU HA . . 5.700 5.713 5.713 5.713 0.013 1 0 "[ ]" 1
921 1 61 GLU H 1 62 GLU QG . . 4.050 4.838 4.838 4.838 0.788 1 1 [+] 1
922 1 61 GLU H 1 63 THR H . . 5.470 4.588 4.588 4.588 . 0 0 "[ ]" 1
923 1 61 GLU H 1 64 LEU QD . . 6.730 5.497 5.497 5.497 . 0 0 "[ ]" 1
924 1 61 GLU H 1 95 ILE MG . . 6.730 4.316 4.316 4.316 . 0 0 "[ ]" 1
925 1 61 GLU HA 1 61 GLU QG . . 3.690 3.506 3.506 3.506 . 0 0 "[ ]" 1
926 1 61 GLU HA 1 62 GLU H . . 4.210 3.582 3.582 3.582 . 0 0 "[ ]" 1
927 1 61 GLU HA 1 62 GLU QG . . 4.580 5.218 5.218 5.218 0.638 1 1 [+] 1
928 1 61 GLU HA 1 64 LEU QD . . 6.070 4.481 4.481 4.481 . 0 0 "[ ]" 1
929 1 61 GLU HA 1 65 MET HG3 . . 4.680 3.796 3.796 3.796 . 0 0 "[ ]" 1
930 1 61 GLU QB 1 62 GLU H . . 5.860 3.042 3.042 3.042 . 0 0 "[ ]" 1
931 1 61 GLU QB 1 62 GLU HA . . 5.630 4.086 4.086 4.086 . 0 0 "[ ]" 1
932 1 61 GLU QB 1 62 GLU QB . . 7.080 4.896 4.896 4.896 . 0 0 "[ ]" 1
933 1 61 GLU QB 1 62 GLU QG . . 3.720 3.780 3.780 3.780 0.060 1 0 "[ ]" 1
934 1 61 GLU QB 1 95 ILE MD . . 7.620 3.188 3.188 3.188 . 0 0 "[ ]" 1
935 1 61 GLU QB 1 99 LYS QG . . 5.600 5.678 5.678 5.678 0.078 1 0 "[ ]" 1
936 1 61 GLU QG 1 62 GLU H . . 3.980 2.055 2.055 2.055 . 0 0 "[ ]" 1
937 1 61 GLU QG 1 62 GLU QB . . 7.390 3.956 3.956 3.956 . 0 0 "[ ]" 1
938 1 61 GLU QG 1 62 GLU QG . . 4.710 2.790 2.790 2.790 . 0 0 "[ ]" 1
939 1 62 GLU H 1 62 GLU QG . . 3.750 2.134 2.134 2.134 . 0 0 "[ ]" 1
940 1 62 GLU H 1 63 THR H . . 4.120 2.962 2.962 2.962 . 0 0 "[ ]" 1
941 1 62 GLU H 1 63 THR HA . . 5.700 5.544 5.544 5.544 . 0 0 "[ ]" 1
942 1 62 GLU H 1 63 THR MG . . 6.730 4.246 4.246 4.246 . 0 0 "[ ]" 1
943 1 62 GLU H 1 64 LEU H . . 5.700 4.496 4.496 4.496 . 0 0 "[ ]" 1
944 1 62 GLU H 1 65 MET H . . 5.700 4.686 4.686 4.686 . 0 0 "[ ]" 1
945 1 62 GLU H 1 65 MET ME . . 4.810 3.514 3.514 3.514 . 0 0 "[ ]" 1
946 1 62 GLU H 1 95 ILE MG . . 6.730 5.213 5.213 5.213 . 0 0 "[ ]" 1
947 1 62 GLU HA 1 62 GLU QG . . 3.520 2.544 2.544 2.544 . 0 0 "[ ]" 1
948 1 62 GLU HA 1 63 THR H . . 4.450 3.609 3.609 3.609 . 0 0 "[ ]" 1
949 1 62 GLU HA 1 64 LEU H . . 4.880 4.861 4.861 4.861 . 0 0 "[ ]" 1
950 1 62 GLU HA 1 65 MET H . . 4.610 3.754 3.754 3.754 . 0 0 "[ ]" 1
951 1 62 GLU HA 1 65 MET QB . . 5.860 2.659 2.659 2.659 . 0 0 "[ ]" 1
952 1 62 GLU HA 1 66 GLU H . . 5.170 4.093 4.093 4.093 . 0 0 "[ ]" 1
953 1 62 GLU QB 1 64 LEU H . . 6.590 4.622 4.622 4.622 . 0 0 "[ ]" 1
954 1 62 GLU QG 1 63 THR MG . . 6.730 4.547 4.547 4.547 . 0 0 "[ ]" 1
955 1 63 THR H 1 64 LEU H . . 3.290 2.599 2.599 2.599 . 0 0 "[ ]" 1
956 1 63 THR H 1 65 MET H . . 4.740 3.834 3.834 3.834 . 0 0 "[ ]" 1
957 1 63 THR H 1 65 MET ME . . 6.170 4.960 4.960 4.960 . 0 0 "[ ]" 1
958 1 63 THR H 1 66 GLU H . . 4.840 4.706 4.706 4.706 . 0 0 "[ ]" 1
959 1 63 THR HA 1 64 LEU QD . . 6.130 5.866 5.866 5.866 . 0 0 "[ ]" 1
960 1 63 THR HA 1 65 MET H . . 4.540 4.154 4.154 4.154 . 0 0 "[ ]" 1
961 1 63 THR HA 1 66 GLU H . . 4.740 3.361 3.361 3.361 . 0 0 "[ ]" 1
962 1 63 THR HA 1 66 GLU HB2 . . 3.550 3.564 3.564 3.564 0.014 1 0 "[ ]" 1
963 1 63 THR HA 1 66 GLU HB3 . . 3.490 3.144 3.144 3.144 . 0 0 "[ ]" 1
964 1 63 THR HA 1 67 TYR H . . 3.980 3.663 3.663 3.663 . 0 0 "[ ]" 1
965 1 63 THR HA 1 67 TYR HB3 . . 4.840 5.008 5.008 5.008 0.168 1 0 "[ ]" 1
966 1 63 THR HB 1 64 LEU H . . 4.250 3.923 3.923 3.923 . 0 0 "[ ]" 1
967 1 63 THR HB 1 65 MET H . . 5.700 5.667 5.667 5.667 . 0 0 "[ ]" 1
968 1 63 THR HB 1 74 TYR HE2 . . 5.700 2.263 2.263 2.263 . 0 0 "[ ]" 1
969 1 63 THR HG1 1 64 LEU H . . 5.700 3.856 3.856 3.856 . 0 0 "[ ]" 1
970 1 63 THR MG 1 64 LEU QD . . 7.130 5.754 5.754 5.754 . 0 0 "[ ]" 1
971 1 63 THR MG 1 74 TYR HE2 . . 6.460 3.586 3.586 3.586 . 0 0 "[ ]" 1
972 1 64 LEU H 1 64 LEU HG . . 3.950 4.005 4.005 4.005 0.055 1 0 "[ ]" 1
973 1 64 LEU H 1 65 MET H . . 3.550 2.592 2.592 2.592 . 0 0 "[ ]" 1
974 1 64 LEU H 1 66 GLU H . . 4.970 4.325 4.325 4.325 . 0 0 "[ ]" 1
975 1 64 LEU H 1 67 TYR H . . 4.410 4.526 4.526 4.526 0.116 1 0 "[ ]" 1
976 1 64 LEU H 1 67 TYR HB3 . . 4.640 4.633 4.633 4.633 . 0 0 "[ ]" 1
977 1 64 LEU H 1 68 LEU H . . 5.700 5.650 5.650 5.650 . 0 0 "[ ]" 1
978 1 64 LEU H 1 68 LEU QD . . 6.730 6.567 6.567 6.567 . 0 0 "[ ]" 1
979 1 64 LEU HA 1 64 LEU HG . . 3.260 2.417 2.417 2.417 . 0 0 "[ ]" 1
980 1 64 LEU HA 1 66 GLU H . . 4.310 4.472 4.472 4.472 0.162 1 0 "[ ]" 1
981 1 64 LEU HA 1 67 TYR HA . . 4.780 4.896 4.896 4.896 0.116 1 0 "[ ]" 1
982 1 64 LEU HA 1 67 TYR HB2 . . 4.810 3.366 3.366 3.366 . 0 0 "[ ]" 1
983 1 64 LEU HA 1 67 TYR HB3 . . 3.950 2.029 2.029 2.029 . 0 0 "[ ]" 1
984 1 64 LEU HA 1 67 TYR QE . . 5.700 5.511 5.511 5.511 . 0 0 "[ ]" 1
985 1 64 LEU HA 1 68 LEU H . . 3.460 3.147 3.147 3.147 . 0 0 "[ ]" 1
986 1 64 LEU HA 1 68 LEU QB . . 5.010 4.083 4.083 4.083 . 0 0 "[ ]" 1
987 1 64 LEU QB 1 65 MET H . . 4.450 3.113 3.113 3.113 . 0 0 "[ ]" 1
988 1 64 LEU QB 1 67 TYR HB3 . . 6.590 4.306 4.306 4.306 . 0 0 "[ ]" 1
989 1 64 LEU QB 1 68 LEU H . . 4.680 4.580 4.580 4.580 . 0 0 "[ ]" 1
990 1 64 LEU QB 1 68 LEU QB . . 7.480 4.360 4.360 4.360 . 0 0 "[ ]" 1
991 1 64 LEU QB 1 95 ILE MG . . 7.550 4.449 4.449 4.449 . 0 0 "[ ]" 1
992 1 64 LEU QD 1 65 MET H . . 6.730 4.187 4.187 4.187 . 0 0 "[ ]" 1
993 1 64 LEU QD 1 67 TYR HB3 . . 6.730 3.027 3.027 3.027 . 0 0 "[ ]" 1
994 1 64 LEU QD 1 80 MET ME . . 7.760 4.765 4.765 4.765 . 0 0 "[ ]" 1
995 1 64 LEU QD 1 95 ILE H . . 5.140 5.268 5.268 5.268 0.128 1 0 "[ ]" 1
996 1 64 LEU QD 1 95 ILE HA . . 6.270 4.078 4.078 4.078 . 0 0 "[ ]" 1
997 1 64 LEU QD 1 95 ILE HG12 . . 6.730 4.626 4.626 4.626 . 0 0 "[ ]" 1
998 1 64 LEU QD 1 95 ILE MG . . 6.340 4.587 4.587 4.587 . 0 0 "[ ]" 1
999 1 64 LEU QD 1 98 LEU MD1 . . 6.200 2.268 2.268 2.268 . 0 0 "[ ]" 1
1000 1 64 LEU QD 1 98 LEU MD2 . . 6.270 3.775 3.775 3.775 . 0 0 "[ ]" 1
1001 1 64 LEU QD 1 99 LYS H . . 6.730 5.476 5.476 5.476 . 0 0 "[ ]" 1
1002 1 64 LEU QD 1 99 LYS HE2 . . 7.530 7.333 7.333 7.333 . 0 0 "[ ]" 1
1003 1 64 LEU HG 1 68 LEU QD . . 6.430 4.090 4.090 4.090 . 0 0 "[ ]" 1
1004 1 65 MET H 1 65 MET ME . . 4.710 3.802 3.802 3.802 . 0 0 "[ ]" 1
1005 1 65 MET H 1 65 MET HG2 . . 5.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
1006 1 65 MET H 1 65 MET HG3 . . 4.610 3.000 3.000 3.000 . 0 0 "[ ]" 1
1007 1 65 MET H 1 66 GLU H . . 3.720 2.685 2.685 2.685 . 0 0 "[ ]" 1
1008 1 65 MET H 1 67 TYR H . . 3.820 3.922 3.922 3.922 0.102 1 0 "[ ]" 1
1009 1 65 MET H 1 68 LEU H . . 4.780 4.786 4.786 4.786 0.006 1 0 "[ ]" 1
1010 1 65 MET H 1 95 ILE MD . . 5.280 3.053 3.053 3.053 . 0 0 "[ ]" 1
1011 1 65 MET HA 1 65 MET HG2 . . 4.350 2.193 2.193 2.193 . 0 0 "[ ]" 1
1012 1 65 MET HA 1 68 LEU H . . 4.580 4.024 4.024 4.024 . 0 0 "[ ]" 1
1013 1 65 MET HA 1 68 LEU QB . . 4.740 4.057 4.057 4.057 . 0 0 "[ ]" 1
1014 1 65 MET HA 1 69 GLU H . . 3.850 3.986 3.986 3.986 0.136 1 0 "[ ]" 1
1015 1 65 MET HA 1 91 ARG QD . . 5.470 2.832 2.832 2.832 . 0 0 "[ ]" 1
1016 1 65 MET HA 1 91 ARG HE . . 4.880 3.816 3.816 3.816 . 0 0 "[ ]" 1
1017 1 65 MET QB 1 66 GLU H . . 4.610 2.569 2.569 2.569 . 0 0 "[ ]" 1
1018 1 65 MET ME 1 95 ILE HA . . 6.400 5.983 5.983 5.983 . 0 0 "[ ]" 1
1019 1 65 MET ME 1 95 ILE MD . . 6.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
1020 1 65 MET ME 1 95 ILE MG . . 7.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
1021 1 65 MET HG2 1 66 GLU H . . 5.700 4.950 4.950 4.950 . 0 0 "[ ]" 1
1022 1 65 MET HG2 1 95 ILE MD . . 6.730 3.009 3.009 3.009 . 0 0 "[ ]" 1
1023 1 65 MET HG3 1 66 GLU H . . 5.700 4.725 4.725 4.725 . 0 0 "[ ]" 1
1024 1 65 MET HG3 1 95 ILE HB . . 5.170 4.709 4.709 4.709 . 0 0 "[ ]" 1
1025 1 65 MET HG3 1 95 ILE MD . . 6.730 2.263 2.263 2.263 . 0 0 "[ ]" 1
1026 1 66 GLU H 1 66 GLU HB2 . . 3.130 2.329 2.329 2.329 . 0 0 "[ ]" 1
1027 1 66 GLU H 1 66 GLU HB3 . . 3.520 2.798 2.798 2.798 . 0 0 "[ ]" 1
1028 1 66 GLU H 1 66 GLU QG . . 3.850 4.119 4.119 4.119 0.269 1 0 "[ ]" 1
1029 1 66 GLU H 1 67 TYR H . . 3.260 2.638 2.638 2.638 . 0 0 "[ ]" 1
1030 1 66 GLU H 1 67 TYR HA . . 5.370 5.270 5.270 5.270 . 0 0 "[ ]" 1
1031 1 66 GLU H 1 67 TYR HB2 . . 5.210 5.148 5.148 5.148 . 0 0 "[ ]" 1
1032 1 66 GLU H 1 68 LEU H . . 4.780 4.744 4.744 4.744 . 0 0 "[ ]" 1
1033 1 66 GLU H 1 69 GLU H . . 5.600 5.002 5.002 5.002 . 0 0 "[ ]" 1
1034 1 66 GLU HA 1 66 GLU QG . . 3.690 2.893 2.893 2.893 . 0 0 "[ ]" 1
1035 1 66 GLU HA 1 67 TYR H . . 3.650 3.560 3.560 3.560 . 0 0 "[ ]" 1
1036 1 66 GLU HA 1 68 LEU H . . 5.470 5.154 5.154 5.154 . 0 0 "[ ]" 1
1037 1 66 GLU HA 1 69 GLU HB2 . . 2.990 3.041 3.041 3.041 0.051 1 0 "[ ]" 1
1038 1 66 GLU HA 1 69 GLU HG3 . . 4.380 4.451 4.451 4.451 0.071 1 0 "[ ]" 1
1039 1 66 GLU HA 1 70 ASN H . . 5.110 4.415 4.415 4.415 . 0 0 "[ ]" 1
1040 1 66 GLU HB2 1 67 TYR H . . 3.650 3.695 3.695 3.695 0.045 1 0 "[ ]" 1
1041 1 66 GLU HB2 1 74 TYR HE2 . . 5.300 5.419 5.419 5.419 0.119 1 0 "[ ]" 1
1042 1 66 GLU HB3 1 67 TYR H . . 3.550 2.658 2.658 2.658 . 0 0 "[ ]" 1
1043 1 66 GLU HB3 1 67 TYR HA . . 4.080 4.087 4.087 4.087 0.007 1 0 "[ ]" 1
1044 1 66 GLU HB3 1 67 TYR HB2 . . 5.110 4.279 4.279 4.279 . 0 0 "[ ]" 1
1045 1 66 GLU HB3 1 74 TYR HB3 . . 5.700 4.399 4.399 4.399 . 0 0 "[ ]" 1
1046 1 66 GLU HB3 1 74 TYR HD2 . . 4.310 3.887 3.887 3.887 . 0 0 "[ ]" 1
1047 1 66 GLU QG 1 67 TYR H . . 5.630 4.066 4.066 4.066 . 0 0 "[ ]" 1
1048 1 67 TYR H 1 67 TYR HB2 . . 3.360 2.632 2.632 2.632 . 0 0 "[ ]" 1
1049 1 67 TYR H 1 67 TYR HB3 . . 3.460 2.412 2.412 2.412 . 0 0 "[ ]" 1
1050 1 67 TYR H 1 67 TYR HD1 . . 5.700 4.790 4.790 4.790 . 0 0 "[ ]" 1
1051 1 67 TYR H 1 68 LEU H . . 3.160 3.092 3.092 3.092 . 0 0 "[ ]" 1
1052 1 67 TYR H 1 68 LEU QB . . 5.500 4.937 4.937 4.937 . 0 0 "[ ]" 1
1053 1 67 TYR H 1 69 GLU H . . 5.170 4.255 4.255 4.255 . 0 0 "[ ]" 1
1054 1 67 TYR H 1 74 TYR HB2 . . 5.700 4.462 4.462 4.462 . 0 0 "[ ]" 1
1055 1 67 TYR H 1 74 TYR HD2 . . 5.700 3.670 3.670 3.670 . 0 0 "[ ]" 1
1056 1 67 TYR HA 1 68 LEU H . . 3.880 3.687 3.687 3.687 . 0 0 "[ ]" 1
1057 1 67 TYR HA 1 69 GLU H . . 4.880 4.482 4.482 4.482 . 0 0 "[ ]" 1
1058 1 67 TYR HA 1 70 ASN H . . 4.680 3.573 3.573 3.573 . 0 0 "[ ]" 1
1059 1 67 TYR HA 1 71 PRO HB2 . . 5.670 4.798 4.798 4.798 . 0 0 "[ ]" 1
1060 1 67 TYR HA 1 71 PRO HB3 . . 4.080 3.784 3.784 3.784 . 0 0 "[ ]" 1
1061 1 67 TYR HA 1 74 TYR H . . 4.310 4.342 4.342 4.342 0.032 1 0 "[ ]" 1
1062 1 67 TYR HA 1 74 TYR HA . . 5.140 5.270 5.270 5.270 0.130 1 0 "[ ]" 1
1063 1 67 TYR HA 1 74 TYR HB2 . . 3.260 3.076 3.076 3.076 . 0 0 "[ ]" 1
1064 1 67 TYR HA 1 74 TYR HD2 . . 4.710 2.796 2.796 2.796 . 0 0 "[ ]" 1
1065 1 67 TYR HA 1 74 TYR HE2 . . 5.700 4.830 4.830 4.830 . 0 0 "[ ]" 1
1066 1 67 TYR HB2 1 68 LEU H . . 4.080 3.888 3.888 3.888 . 0 0 "[ ]" 1
1067 1 67 TYR HB2 1 70 ASN H . . 5.700 5.724 5.724 5.724 0.024 1 0 "[ ]" 1
1068 1 67 TYR HB2 1 74 TYR HD2 . . 4.380 2.132 2.132 2.132 . 0 0 "[ ]" 1
1069 1 67 TYR HB2 1 74 TYR HE2 . . 4.970 3.191 3.191 3.191 . 0 0 "[ ]" 1
1070 1 67 TYR HB2 1 75 ILE MD . . 6.200 4.220 4.220 4.220 . 0 0 "[ ]" 1
1071 1 67 TYR HB2 1 75 ILE MG . . 6.730 4.850 4.850 4.850 . 0 0 "[ ]" 1
1072 1 67 TYR HB3 1 68 LEU H . . 3.320 2.440 2.440 2.440 . 0 0 "[ ]" 1
1073 1 67 TYR HB3 1 68 LEU QD . . 6.730 3.982 3.982 3.982 . 0 0 "[ ]" 1
1074 1 67 TYR HB3 1 74 TYR HD2 . . 5.700 3.827 3.827 3.827 . 0 0 "[ ]" 1
1075 1 67 TYR HD1 1 68 LEU QD . . 5.540 5.156 5.156 5.156 . 0 0 "[ ]" 1
1076 1 67 TYR HD1 1 74 TYR HE2 . . 5.700 4.741 4.741 4.741 . 0 0 "[ ]" 1
1077 1 67 TYR HD1 1 75 ILE H . . 5.140 3.853 3.853 3.853 . 0 0 "[ ]" 1
1078 1 67 TYR HD1 1 75 ILE MD . . 6.100 2.841 2.841 2.841 . 0 0 "[ ]" 1
1079 1 67 TYR HD1 1 75 ILE QG . . 4.020 2.278 2.278 2.278 . 0 0 "[ ]" 1
1080 1 67 TYR QE 1 68 LEU QD . . 6.730 2.283 2.283 2.283 . 0 0 "[ ]" 1
1081 1 67 TYR QE 1 71 PRO HB3 . . 4.880 3.216 3.216 3.216 . 0 0 "[ ]" 1
1082 1 67 TYR QE 1 71 PRO QG . . 4.580 4.322 4.322 4.322 . 0 0 "[ ]" 1
1083 1 67 TYR QE 1 72 LYS H . . 5.700 5.302 5.302 5.302 . 0 0 "[ ]" 1
1084 1 67 TYR QE 1 75 ILE MG . . 6.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
1085 1 67 TYR QE 1 78 THR HB . . 5.140 3.530 3.530 3.530 . 0 0 "[ ]" 1
1086 1 67 TYR QE 1 78 THR MG . . 6.730 2.162 2.162 2.162 . 0 0 "[ ]" 1
1087 1 67 TYR QE 1 80 MET ME . . 6.430 3.697 3.697 3.697 . 0 0 "[ ]" 1
1088 1 67 TYR HH 1 68 LEU QD . . 4.850 3.759 3.759 3.759 . 0 0 "[ ]" 1
1089 1 68 LEU H 1 68 LEU HA . . 3.130 2.890 2.890 2.890 . 0 0 "[ ]" 1
1090 1 68 LEU H 1 68 LEU QB . . 3.920 2.161 2.161 2.161 . 0 0 "[ ]" 1
1091 1 68 LEU H 1 68 LEU HG . . 4.780 4.462 4.462 4.462 . 0 0 "[ ]" 1
1092 1 68 LEU H 1 69 GLU H . . 3.690 2.890 2.890 2.890 . 0 0 "[ ]" 1
1093 1 68 LEU H 1 70 ASN H . . 5.400 4.217 4.217 4.217 . 0 0 "[ ]" 1
1094 1 68 LEU HA 1 70 ASN H . . 4.350 3.862 3.862 3.862 . 0 0 "[ ]" 1
1095 1 68 LEU HA 1 71 PRO HB2 . . 5.700 5.292 5.292 5.292 . 0 0 "[ ]" 1
1096 1 68 LEU HA 1 71 PRO HB3 . . 3.880 3.533 3.533 3.533 . 0 0 "[ ]" 1
1097 1 68 LEU HA 1 82 PHE HD2 . . 5.700 5.744 5.744 5.744 0.044 1 0 "[ ]" 1
1098 1 68 LEU QB 1 69 GLU H . . 4.020 3.270 3.270 3.270 . 0 0 "[ ]" 1
1099 1 68 LEU QB 1 91 ARG QD . . 6.490 4.149 4.149 4.149 . 0 0 "[ ]" 1
1100 1 68 LEU QB 1 91 ARG HE . . 6.590 4.298 4.298 4.298 . 0 0 "[ ]" 1
1101 1 68 LEU QD 1 69 GLU H . . 4.680 4.204 4.204 4.204 . 0 0 "[ ]" 1
1102 1 68 LEU QD 1 70 ASN H . . 6.730 4.698 4.698 4.698 . 0 0 "[ ]" 1
1103 1 68 LEU QD 1 75 ILE MD . . 7.760 5.847 5.847 5.847 . 0 0 "[ ]" 1
1104 1 68 LEU QD 1 80 MET ME . . 7.390 1.774 1.774 1.774 . 0 0 "[ ]" 1
1105 1 68 LEU QD 1 82 PHE HD2 . . 6.730 2.893 2.893 2.893 . 0 0 "[ ]" 1
1106 1 68 LEU QD 1 82 PHE QE . . 6.360 3.265 3.265 3.265 . 0 0 "[ ]" 1
1107 1 68 LEU QD 1 82 PHE HZ . . 6.730 5.249 5.249 5.249 . 0 0 "[ ]" 1
1108 1 68 LEU QD 1 83 ALA H . . 6.730 4.683 4.683 4.683 . 0 0 "[ ]" 1
1109 1 68 LEU QD 1 83 ALA MB . . 7.760 5.071 5.071 5.071 . 0 0 "[ ]" 1
1110 1 68 LEU QD 1 85 ILE H . . 6.730 3.675 3.675 3.675 . 0 0 "[ ]" 1
1111 1 68 LEU QD 1 85 ILE HB . . 5.440 2.850 2.850 2.850 . 0 0 "[ ]" 1
1112 1 68 LEU QD 1 85 ILE QG . . 6.730 4.302 4.302 4.302 . 0 0 "[ ]" 1
1113 1 68 LEU HG 1 91 ARG HE . . 5.700 5.735 5.735 5.735 0.035 1 0 "[ ]" 1
1114 1 69 GLU H 1 69 GLU HB2 . . 2.660 2.185 2.185 2.185 . 0 0 "[ ]" 1
1115 1 69 GLU H 1 69 GLU HB3 . . 3.360 3.479 3.479 3.479 0.119 1 0 "[ ]" 1
1116 1 69 GLU H 1 69 GLU HG2 . . 3.750 2.764 2.764 2.764 . 0 0 "[ ]" 1
1117 1 69 GLU H 1 69 GLU HG3 . . 3.720 3.725 3.725 3.725 0.005 1 0 "[ ]" 1
1118 1 69 GLU H 1 70 ASN H . . 3.190 2.561 2.561 2.561 . 0 0 "[ ]" 1
1119 1 69 GLU H 1 91 ARG QD . . 4.450 4.062 4.062 4.062 . 0 0 "[ ]" 1
1120 1 69 GLU HA 1 69 GLU HG2 . . 3.520 2.728 2.728 2.728 . 0 0 "[ ]" 1
1121 1 69 GLU HA 1 83 ALA MB . . 6.730 6.164 6.164 6.164 . 0 0 "[ ]" 1
1122 1 69 GLU HA 1 91 ARG QD . . 5.700 4.619 4.619 4.619 . 0 0 "[ ]" 1
1123 1 69 GLU HB2 1 70 ASN H . . 4.180 3.146 3.146 3.146 . 0 0 "[ ]" 1
1124 1 69 GLU HB2 1 91 ARG QD . . 5.010 4.091 4.091 4.091 . 0 0 "[ ]" 1
1125 1 69 GLU HB3 1 70 ASN H . . 3.650 3.740 3.740 3.740 0.090 1 0 "[ ]" 1
1126 1 69 GLU HG2 1 70 ASN H . . 5.700 4.808 4.808 4.808 . 0 0 "[ ]" 1
1127 1 69 GLU HG3 1 91 ARG QD . . 5.700 2.741 2.741 2.741 . 0 0 "[ ]" 1
1128 1 70 ASN H 1 70 ASN QB . . 3.650 2.656 2.656 2.656 . 0 0 "[ ]" 1
1129 1 70 ASN H 1 71 PRO HA . . 4.210 3.723 3.723 3.723 . 0 0 "[ ]" 1
1130 1 70 ASN H 1 71 PRO HD2 . . 5.700 3.921 3.921 3.921 . 0 0 "[ ]" 1
1131 1 70 ASN H 1 74 TYR H . . 5.700 5.199 5.199 5.199 . 0 0 "[ ]" 1
1132 1 70 ASN HA 1 70 ASN QB . . 2.630 2.603 2.603 2.603 . 0 0 "[ ]" 1
1133 1 70 ASN HA 1 72 LYS H . . 5.270 4.513 4.513 4.513 . 0 0 "[ ]" 1
1134 1 70 ASN HA 1 73 LYS H . . 5.170 4.253 4.253 4.253 . 0 0 "[ ]" 1
1135 1 70 ASN QB 1 71 PRO HA . . 5.110 4.506 4.506 4.506 . 0 0 "[ ]" 1
1136 1 70 ASN QB 1 71 PRO HD2 . . 4.510 4.565 4.565 4.565 0.055 1 0 "[ ]" 1
1137 1 70 ASN QB 1 72 LYS H . . 5.240 5.393 5.393 5.393 0.153 1 0 "[ ]" 1
1138 1 70 ASN QB 1 73 LYS H . . 4.810 4.008 4.008 4.008 . 0 0 "[ ]" 1
1139 1 70 ASN QB 1 74 TYR HB2 . . 5.010 3.455 3.455 3.455 . 0 0 "[ ]" 1
1140 1 70 ASN QB 1 74 TYR HB3 . . 5.700 4.559 4.559 4.559 . 0 0 "[ ]" 1
1141 1 71 PRO HA 1 72 LYS H . . 5.700 3.571 3.571 3.571 . 0 0 "[ ]" 1
1142 1 71 PRO HA 1 74 TYR H . . 3.950 3.542 3.542 3.542 . 0 0 "[ ]" 1
1143 1 71 PRO HA 1 78 THR MG . . 6.730 4.285 4.285 4.285 . 0 0 "[ ]" 1
1144 1 71 PRO HB2 1 80 MET HB3 . . 4.910 3.475 3.475 3.475 . 0 0 "[ ]" 1
1145 1 71 PRO HB2 1 80 MET ME . . 6.730 5.032 5.032 5.032 . 0 0 "[ ]" 1
1146 1 71 PRO HB2 1 83 ALA HA . . 5.700 4.761 4.761 4.761 . 0 0 "[ ]" 1
1147 1 71 PRO HB3 1 72 LYS H . . 4.050 3.963 3.963 3.963 . 0 0 "[ ]" 1
1148 1 71 PRO HB3 1 78 THR MG . . 4.770 3.261 3.261 3.261 . 0 0 "[ ]" 1
1149 1 71 PRO HB3 1 80 MET ME . . 6.660 4.232 4.232 4.232 . 0 0 "[ ]" 1
1150 1 71 PRO HD2 1 72 LYS HB2 . . 4.610 4.387 4.387 4.387 . 0 0 "[ ]" 1
1151 1 71 PRO HD2 1 80 MET ME . . 6.730 5.345 5.345 5.345 . 0 0 "[ ]" 1
1152 1 71 PRO HD3 1 72 LYS H . . 5.700 4.014 4.014 4.014 . 0 0 "[ ]" 1
1153 1 71 PRO HD3 1 83 ALA H . . 5.700 5.080 5.080 5.080 . 0 0 "[ ]" 1
1154 1 71 PRO HD3 1 83 ALA MB . . 6.730 3.852 3.852 3.852 . 0 0 "[ ]" 1
1155 1 71 PRO QG 1 72 LYS H . . 4.780 2.035 2.035 2.035 . 0 0 "[ ]" 1
1156 1 71 PRO QG 1 72 LYS HB2 . . 5.700 3.533 3.533 3.533 . 0 0 "[ ]" 1
1157 1 71 PRO QG 1 72 LYS HE2 . . 5.700 3.662 3.662 3.662 . 0 0 "[ ]" 1
1158 1 71 PRO QG 1 78 THR MG . . 6.130 3.095 3.095 3.095 . 0 0 "[ ]" 1
1159 1 71 PRO QG 1 79 LYS HA . . 5.700 6.524 6.524 6.524 0.824 1 1 [+] 1
1160 1 71 PRO QG 1 80 MET HB2 . . 5.700 4.518 4.518 4.518 . 0 0 "[ ]" 1
1161 1 71 PRO QG 1 80 MET HB3 . . 5.700 3.128 3.128 3.128 . 0 0 "[ ]" 1
1162 1 71 PRO QG 1 80 MET ME . . 6.730 3.331 3.331 3.331 . 0 0 "[ ]" 1
1163 1 71 PRO QG 1 83 ALA HA . . 3.490 2.127 2.127 2.127 . 0 0 "[ ]" 1
1164 1 71 PRO QG 1 83 ALA MB . . 5.670 3.099 3.099 3.099 . 0 0 "[ ]" 1
1165 1 72 LYS H 1 72 LYS HB2 . . 2.990 2.191 2.191 2.191 . 0 0 "[ ]" 1
1166 1 72 LYS H 1 72 LYS HB3 . . 3.390 3.484 3.484 3.484 0.094 1 0 "[ ]" 1
1167 1 72 LYS H 1 72 LYS HD2 . . 5.270 3.732 3.732 3.732 . 0 0 "[ ]" 1
1168 1 72 LYS H 1 72 LYS HE2 . . 5.700 4.463 4.463 4.463 . 0 0 "[ ]" 1
1169 1 72 LYS H 1 72 LYS QG . . 3.590 2.474 2.474 2.474 . 0 0 "[ ]" 1
1170 1 72 LYS H 1 73 LYS H . . 3.190 2.699 2.699 2.699 . 0 0 "[ ]" 1
1171 1 72 LYS H 1 74 TYR H . . 4.580 4.319 4.319 4.319 . 0 0 "[ ]" 1
1172 1 72 LYS H 1 75 ILE H . . 5.700 4.789 4.789 4.789 . 0 0 "[ ]" 1
1173 1 72 LYS HA 1 72 LYS HB2 . . 2.930 3.014 3.014 3.014 0.084 1 0 "[ ]" 1
1174 1 72 LYS HA 1 72 LYS HB3 . . 2.990 2.586 2.586 2.586 . 0 0 "[ ]" 1
1175 1 72 LYS HA 1 74 TYR H . . 4.640 4.580 4.580 4.580 . 0 0 "[ ]" 1
1176 1 72 LYS HA 1 75 ILE H . . 5.110 3.594 3.594 3.594 . 0 0 "[ ]" 1
1177 1 72 LYS HA 1 75 ILE QG . . 4.210 4.037 4.037 4.037 . 0 0 "[ ]" 1
1178 1 72 LYS HA 1 77 GLY H . . 5.700 4.316 4.316 4.316 . 0 0 "[ ]" 1
1179 1 72 LYS HA 1 77 GLY QA . . 5.700 5.382 5.382 5.382 . 0 0 "[ ]" 1
1180 1 72 LYS HA 1 78 THR HA . . 5.700 5.534 5.534 5.534 . 0 0 "[ ]" 1
1181 1 72 LYS HA 1 78 THR MG . . 4.780 4.011 4.011 4.011 . 0 0 "[ ]" 1
1182 1 72 LYS HE2 1 78 THR MG . . 6.730 2.425 2.425 2.425 . 0 0 "[ ]" 1
1183 1 72 LYS HE2 1 83 ALA H . . 5.700 5.207 5.207 5.207 . 0 0 "[ ]" 1
1184 1 72 LYS QG 1 82 PHE H . . 5.700 6.346 6.346 6.346 0.646 1 1 [+] 1
1185 1 73 LYS H 1 73 LYS HA . . 3.130 2.964 2.964 2.964 . 0 0 "[ ]" 1
1186 1 73 LYS H 1 73 LYS HB2 . . 3.030 2.692 2.692 2.692 . 0 0 "[ ]" 1
1187 1 73 LYS H 1 73 LYS HB3 . . 3.490 2.558 2.558 2.558 . 0 0 "[ ]" 1
1188 1 73 LYS H 1 73 LYS HG2 . . 4.940 4.505 4.505 4.505 . 0 0 "[ ]" 1
1189 1 73 LYS H 1 74 TYR H . . 2.800 2.408 2.408 2.408 . 0 0 "[ ]" 1
1190 1 73 LYS H 1 74 TYR HB2 . . 5.040 4.727 4.727 4.727 . 0 0 "[ ]" 1
1191 1 73 LYS H 1 74 TYR HB3 . . 4.380 4.617 4.617 4.617 0.237 1 0 "[ ]" 1
1192 1 73 LYS H 1 75 ILE H . . 5.140 4.029 4.029 4.029 . 0 0 "[ ]" 1
1193 1 73 LYS HA 1 74 TYR H . . 4.020 3.607 3.607 3.607 . 0 0 "[ ]" 1
1194 1 73 LYS HA 1 74 TYR HA . . 5.270 4.763 4.763 4.763 . 0 0 "[ ]" 1
1195 1 73 LYS HB2 1 74 TYR H . . 3.690 3.727 3.727 3.727 0.037 1 0 "[ ]" 1
1196 1 73 LYS HB3 1 73 LYS HE2 . . 2.990 2.039 2.039 2.039 . 0 0 "[ ]" 1
1197 1 73 LYS HB3 1 74 TYR H . . 3.620 2.373 2.373 2.373 . 0 0 "[ ]" 1
1198 1 73 LYS HB3 1 74 TYR HA . . 4.450 4.115 4.115 4.115 . 0 0 "[ ]" 1
1199 1 73 LYS HB3 1 74 TYR HB3 . . 4.940 4.791 4.791 4.791 . 0 0 "[ ]" 1
1200 1 73 LYS HG2 1 74 TYR HA . . 5.630 3.799 3.799 3.799 . 0 0 "[ ]" 1
1201 1 74 TYR H 1 74 TYR HB2 . . 3.320 2.441 2.441 2.441 . 0 0 "[ ]" 1
1202 1 74 TYR H 1 74 TYR HB3 . . 3.290 2.584 2.584 2.584 . 0 0 "[ ]" 1
1203 1 74 TYR H 1 75 ILE H . . 3.030 2.885 2.885 2.885 . 0 0 "[ ]" 1
1204 1 74 TYR HA 1 75 ILE HA . . 4.510 4.537 4.537 4.537 0.027 1 0 "[ ]" 1
1205 1 74 TYR HB2 1 75 ILE H . . 4.020 3.906 3.906 3.906 . 0 0 "[ ]" 1
1206 1 74 TYR HB3 1 75 ILE H . . 3.550 2.616 2.616 2.616 . 0 0 "[ ]" 1
1207 1 74 TYR HD2 1 75 ILE MG . . 5.010 3.283 3.283 3.283 . 0 0 "[ ]" 1
1208 1 75 ILE H 1 75 ILE HA . . 3.090 2.940 2.940 2.940 . 0 0 "[ ]" 1
1209 1 75 ILE H 1 75 ILE HB . . 4.020 3.838 3.838 3.838 . 0 0 "[ ]" 1
1210 1 75 ILE H 1 75 ILE MD . . 4.680 4.121 4.121 4.121 . 0 0 "[ ]" 1
1211 1 75 ILE H 1 75 ILE QG . . 3.790 2.423 2.423 2.423 . 0 0 "[ ]" 1
1212 1 75 ILE HA 1 76 PRO HD2 . . 4.310 2.193 2.193 2.193 . 0 0 "[ ]" 1
1213 1 75 ILE HA 1 76 PRO HD3 . . 4.880 2.456 2.456 2.456 . 0 0 "[ ]" 1
1214 1 75 ILE HB 1 76 PRO HD2 . . 3.590 3.102 3.102 3.102 . 0 0 "[ ]" 1
1215 1 75 ILE MD 1 76 PRO HD2 . . 6.100 4.984 4.984 4.984 . 0 0 "[ ]" 1
1216 1 75 ILE MD 1 78 THR HG1 . . 4.290 2.887 2.887 2.887 . 0 0 "[ ]" 1
1217 1 75 ILE QG 1 76 PRO HA . . 5.700 5.043 5.043 5.043 . 0 0 "[ ]" 1
1218 1 75 ILE QG 1 76 PRO HG2 . . 5.700 6.098 6.098 6.098 0.398 1 0 "[ ]" 1
1219 1 75 ILE QG 1 78 THR H . . 5.270 4.098 4.098 4.098 . 0 0 "[ ]" 1
1220 1 75 ILE MG 1 76 PRO HD2 . . 6.730 3.098 3.098 3.098 . 0 0 "[ ]" 1
1221 1 75 ILE MG 1 78 THR HG1 . . 6.730 5.571 5.571 5.571 . 0 0 "[ ]" 1
1222 1 76 PRO HA 1 76 PRO HB3 . . 2.660 2.323 2.323 2.323 . 0 0 "[ ]" 1
1223 1 77 GLY H 1 78 THR H . . 4.380 2.994 2.994 2.994 . 0 0 "[ ]" 1
1224 1 77 GLY H 1 78 THR MG . . 6.730 5.943 5.943 5.943 . 0 0 "[ ]" 1
1225 1 77 GLY QA 1 78 THR HA . . 3.980 4.225 4.225 4.225 0.245 1 0 "[ ]" 1
1226 1 77 GLY QA 1 78 THR HB . . 5.140 4.912 4.912 4.912 . 0 0 "[ ]" 1
1227 1 78 THR H 1 78 THR HB . . 3.490 2.278 2.278 2.278 . 0 0 "[ ]" 1
1228 1 78 THR H 1 78 THR HG1 . . 4.970 3.706 3.706 3.706 . 0 0 "[ ]" 1
1229 1 78 THR H 1 79 LYS H . . 5.340 4.551 4.551 4.551 . 0 0 "[ ]" 1
1230 1 78 THR HA 1 79 LYS HB3 . . 5.700 5.387 5.387 5.387 . 0 0 "[ ]" 1
1231 1 78 THR HA 1 80 MET H . . 5.700 3.716 3.716 3.716 . 0 0 "[ ]" 1
1232 1 78 THR HG1 1 79 LYS H . . 5.700 3.823 3.823 3.823 . 0 0 "[ ]" 1
1233 1 78 THR HG1 1 80 MET HB2 . . 5.700 4.773 4.773 4.773 . 0 0 "[ ]" 1
1234 1 78 THR HG1 1 80 MET HB3 . . 5.700 5.062 5.062 5.062 . 0 0 "[ ]" 1
1235 1 78 THR MG 1 79 LYS H . . 6.730 2.865 2.865 2.865 . 0 0 "[ ]" 1
1236 1 78 THR MG 1 79 LYS HA . . 5.700 3.833 3.833 3.833 . 0 0 "[ ]" 1
1237 1 78 THR MG 1 80 MET HA . . 6.730 3.790 3.790 3.790 . 0 0 "[ ]" 1
1238 1 78 THR MG 1 80 MET HB2 . . 5.940 2.450 2.450 2.450 . 0 0 "[ ]" 1
1239 1 78 THR MG 1 80 MET HB3 . . 6.730 2.178 2.178 2.178 . 0 0 "[ ]" 1
1240 1 78 THR MG 1 80 MET ME . . 7.760 4.658 4.658 4.658 . 0 0 "[ ]" 1
1241 1 78 THR MG 1 80 MET HG2 . . 6.730 4.073 4.073 4.073 . 0 0 "[ ]" 1
1242 1 78 THR MG 1 80 MET HG3 . . 6.730 4.423 4.423 4.423 . 0 0 "[ ]" 1
1243 1 79 LYS H 1 79 LYS HB2 . . 4.250 2.293 2.293 2.293 . 0 0 "[ ]" 1
1244 1 79 LYS H 1 79 LYS HD2 . . 5.700 5.466 5.466 5.466 . 0 0 "[ ]" 1
1245 1 79 LYS H 1 79 LYS HD3 . . 4.350 4.810 4.810 4.810 0.460 1 0 "[ ]" 1
1246 1 79 LYS H 1 79 LYS QE . . 5.540 5.667 5.667 5.667 0.127 1 0 "[ ]" 1
1247 1 79 LYS H 1 79 LYS HG2 . . 4.510 3.940 3.940 3.940 . 0 0 "[ ]" 1
1248 1 79 LYS H 1 79 LYS HG3 . . 5.440 4.563 4.563 4.563 . 0 0 "[ ]" 1
1249 1 79 LYS H 1 80 MET H . . 4.510 2.771 2.771 2.771 . 0 0 "[ ]" 1
1250 1 80 MET H 1 80 MET HB2 . . 3.590 2.540 2.540 2.540 . 0 0 "[ ]" 1
1251 1 80 MET H 1 80 MET HB3 . . 3.360 2.467 2.467 2.467 . 0 0 "[ ]" 1
1252 1 80 MET H 1 80 MET HG2 . . 5.700 4.434 4.434 4.434 . 0 0 "[ ]" 1
1253 1 80 MET H 1 80 MET HG3 . . 5.700 4.441 4.441 4.441 . 0 0 "[ ]" 1
1254 1 80 MET H 1 81 ILE H . . 4.970 4.191 4.191 4.191 . 0 0 "[ ]" 1
1255 1 80 MET HA 1 80 MET ME . . 5.870 4.640 4.640 4.640 . 0 0 "[ ]" 1
1256 1 80 MET HA 1 80 MET HG3 . . 4.020 2.434 2.434 2.434 . 0 0 "[ ]" 1
1257 1 80 MET HA 1 81 ILE H . . 2.930 2.204 2.204 2.204 . 0 0 "[ ]" 1
1258 1 80 MET HB2 1 81 ILE H . . 4.970 4.502 4.502 4.502 . 0 0 "[ ]" 1
1259 1 80 MET HB3 1 81 ILE H . . 4.680 4.548 4.548 4.548 . 0 0 "[ ]" 1
1260 1 80 MET ME 1 82 PHE H . . 6.730 4.224 4.224 4.224 . 0 0 "[ ]" 1
1261 1 80 MET ME 1 82 PHE HB2 . . 5.010 3.243 3.243 3.243 . 0 0 "[ ]" 1
1262 1 80 MET ME 1 82 PHE HB3 . . 6.130 2.155 2.155 2.155 . 0 0 "[ ]" 1
1263 1 80 MET ME 1 82 PHE HD2 . . 4.650 2.236 2.236 2.236 . 0 0 "[ ]" 1
1264 1 80 MET ME 1 82 PHE QE . . 6.400 3.980 3.980 3.980 . 0 0 "[ ]" 1
1265 1 80 MET HG2 1 81 ILE H . . 5.700 4.299 4.299 4.299 . 0 0 "[ ]" 1
1266 1 80 MET HG2 1 81 ILE HB . . 6.500 6.140 6.140 6.140 . 0 0 "[ ]" 1
1267 1 80 MET HG2 1 82 PHE H . . 5.700 3.105 3.105 3.105 . 0 0 "[ ]" 1
1268 1 80 MET HG2 1 82 PHE HB2 . . 5.700 3.768 3.768 3.768 . 0 0 "[ ]" 1
1269 1 80 MET HG2 1 82 PHE HB3 . . 5.170 2.638 2.638 2.638 . 0 0 "[ ]" 1
1270 1 80 MET HG2 1 82 PHE HD2 . . 5.700 4.246 4.246 4.246 . 0 0 "[ ]" 1
1271 1 80 MET HG3 1 81 ILE H . . 5.370 3.739 3.739 3.739 . 0 0 "[ ]" 1
1272 1 80 MET HG3 1 81 ILE HA . . 5.700 5.247 5.247 5.247 . 0 0 "[ ]" 1
1273 1 80 MET HG3 1 82 PHE H . . 5.700 4.063 4.063 4.063 . 0 0 "[ ]" 1
1274 1 80 MET HG3 1 82 PHE HB2 . . 5.170 3.734 3.734 3.734 . 0 0 "[ ]" 1
1275 1 80 MET HG3 1 82 PHE HB3 . . 5.700 3.256 3.256 3.256 . 0 0 "[ ]" 1
1276 1 80 MET HG3 1 82 PHE HD2 . . 5.700 4.835 4.835 4.835 . 0 0 "[ ]" 1
1277 1 81 ILE H 1 81 ILE HB . . 3.520 2.782 2.782 2.782 . 0 0 "[ ]" 1
1278 1 81 ILE H 1 82 PHE H . . 4.380 3.771 3.771 3.771 . 0 0 "[ ]" 1
1279 1 81 ILE HA 1 82 PHE H . . 2.760 2.375 2.375 2.375 . 0 0 "[ ]" 1
1280 1 82 PHE H 1 82 PHE HB2 . . 3.820 3.391 3.391 3.391 . 0 0 "[ ]" 1
1281 1 82 PHE H 1 82 PHE HB3 . . 3.390 3.080 3.080 3.080 . 0 0 "[ ]" 1
1282 1 82 PHE H 1 82 PHE HD2 . . 6.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
1283 1 82 PHE H 1 83 ALA H . . 5.700 1.964 1.964 1.964 . 0 0 "[ ]" 1
1284 1 82 PHE H 1 83 ALA MB . . 6.730 3.391 3.391 3.391 . 0 0 "[ ]" 1
1285 1 82 PHE HA 1 82 PHE HB3 . . 2.960 3.024 3.024 3.024 0.064 1 0 "[ ]" 1
1286 1 82 PHE HA 1 82 PHE HD2 . . 4.880 4.369 4.369 4.369 . 0 0 "[ ]" 1
1287 1 82 PHE HB2 1 82 PHE HD2 . . 3.160 3.356 3.356 3.356 0.196 1 0 "[ ]" 1
1288 1 82 PHE HB3 1 82 PHE HD2 . . 3.260 2.266 2.266 2.266 . 0 0 "[ ]" 1
1289 1 82 PHE HD2 1 83 ALA H . . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
1290 1 82 PHE HD2 1 83 ALA HA . . 6.500 4.984 4.984 4.984 . 0 0 "[ ]" 1
1291 1 82 PHE HD2 1 85 ILE H . . 8.000 5.418 5.418 5.418 . 0 0 "[ ]" 1
1292 1 82 PHE HD2 1 85 ILE HA . . 5.540 4.376 4.376 4.376 . 0 0 "[ ]" 1
1293 1 82 PHE QE 1 84 GLY HA2 . . 5.700 4.433 4.433 4.433 . 0 0 "[ ]" 1
1294 1 82 PHE QE 1 85 ILE HA . . 4.640 2.155 2.155 2.155 . 0 0 "[ ]" 1
1295 1 82 PHE QE 1 85 ILE QG . . 3.950 2.925 2.925 2.925 . 0 0 "[ ]" 1
1296 1 82 PHE HZ 1 85 ILE QG . . 3.420 3.147 3.147 3.147 . 0 0 "[ ]" 1
1297 1 83 ALA H 1 84 GLY H . . 5.700 3.621 3.621 3.621 . 0 0 "[ ]" 1
1298 1 83 ALA MB 1 84 GLY HA3 . . 4.580 4.173 4.173 4.173 . 0 0 "[ ]" 1
1299 1 84 GLY H 1 84 GLY HA3 . . 2.960 2.797 2.797 2.797 . 0 0 "[ ]" 1
1300 1 84 GLY HA2 1 85 ILE H . . 3.490 2.350 2.350 2.350 . 0 0 "[ ]" 1
1301 1 84 GLY HA2 1 85 ILE HA . . 4.280 4.193 4.193 4.193 . 0 0 "[ ]" 1
1302 1 85 ILE H 1 85 ILE HB . . 3.520 2.621 2.621 2.621 . 0 0 "[ ]" 1
1303 1 85 ILE H 1 85 ILE QG . . 4.940 4.023 4.023 4.023 . 0 0 "[ ]" 1
1304 1 85 ILE H 1 91 ARG QB . . 6.590 4.970 4.970 4.970 . 0 0 "[ ]" 1
1305 1 85 ILE H 1 91 ARG QD . . 5.700 6.375 6.375 6.375 0.675 1 1 [+] 1
1306 1 85 ILE HB 1 85 ILE MD . . 3.430 2.329 2.329 2.329 . 0 0 "[ ]" 1
1307 1 85 ILE MD 1 91 ARG H . . 5.570 3.927 3.927 3.927 . 0 0 "[ ]" 1
1308 1 85 ILE MD 1 91 ARG HA . . 4.190 3.451 3.451 3.451 . 0 0 "[ ]" 1
1309 1 85 ILE MD 1 94 LEU MD2 . . 5.810 2.000 2.000 2.000 . 0 0 "[ ]" 1
1310 1 85 ILE QG 1 86 LYS QB . . 3.850 3.556 3.556 3.556 . 0 0 "[ ]" 1
1311 1 85 ILE QG 1 87 LYS HE3 . . 5.700 4.667 4.667 4.667 . 0 0 "[ ]" 1
1312 1 85 ILE QG 1 90 GLU H . . 5.670 5.063 5.063 5.063 . 0 0 "[ ]" 1
1313 1 85 ILE QG 1 90 GLU HA . . 5.700 4.986 4.986 4.986 . 0 0 "[ ]" 1
1314 1 85 ILE QG 1 90 GLU HB2 . . 4.380 2.768 2.768 2.768 . 0 0 "[ ]" 1
1315 1 85 ILE QG 1 90 GLU HB3 . . 3.850 2.711 2.711 2.711 . 0 0 "[ ]" 1
1316 1 85 ILE QG 1 93 ASP QB . . 5.700 6.276 6.276 6.276 0.576 1 1 [+] 1
1317 1 85 ILE MG 1 86 LYS H . . 6.730 2.029 2.029 2.029 . 0 0 "[ ]" 1
1318 1 85 ILE MG 1 87 LYS HE3 . . 6.730 4.790 4.790 4.790 . 0 0 "[ ]" 1
1319 1 85 ILE MG 1 90 GLU H . . 6.030 3.945 3.945 3.945 . 0 0 "[ ]" 1
1320 1 85 ILE MG 1 91 ARG QB . . 6.130 2.564 2.564 2.564 . 0 0 "[ ]" 1
1321 1 85 ILE MG 1 91 ARG QD . . 6.730 4.501 4.501 4.501 . 0 0 "[ ]" 1
1322 1 85 ILE MG 1 91 ARG HE . . 6.730 4.808 4.808 4.808 . 0 0 "[ ]" 1
1323 1 86 LYS H 1 86 LYS HD2 . . 5.540 5.727 5.727 5.727 0.187 1 0 "[ ]" 1
1324 1 86 LYS H 1 86 LYS QG . . 3.590 4.068 4.068 4.068 0.478 1 0 "[ ]" 1
1325 1 86 LYS H 1 87 LYS H . . 4.580 3.224 3.224 3.224 . 0 0 "[ ]" 1
1326 1 86 LYS HA 1 87 LYS HA . . 4.740 4.729 4.729 4.729 . 0 0 "[ ]" 1
1327 1 86 LYS HD2 1 86 LYS QG . . 2.400 2.381 2.381 2.381 . 0 0 "[ ]" 1
1328 1 87 LYS H 1 88 LYS H . . 4.610 4.552 4.552 4.552 . 0 0 "[ ]" 1
1329 1 87 LYS HB3 1 90 GLU H . . 5.340 2.872 2.872 2.872 . 0 0 "[ ]" 1
1330 1 87 LYS HB3 1 90 GLU HG3 . . 4.640 3.552 3.552 3.552 . 0 0 "[ ]" 1
1331 1 87 LYS HG2 1 89 THR H . . 4.880 4.480 4.480 4.480 . 0 0 "[ ]" 1
1332 1 88 LYS H 1 88 LYS HG2 . . 4.380 3.436 3.436 3.436 . 0 0 "[ ]" 1
1333 1 88 LYS H 1 88 LYS HG3 . . 5.700 2.327 2.327 2.327 . 0 0 "[ ]" 1
1334 1 88 LYS H 1 89 THR H . . 4.310 2.864 2.864 2.864 . 0 0 "[ ]" 1
1335 1 88 LYS H 1 91 ARG H . . 5.700 4.904 4.904 4.904 . 0 0 "[ ]" 1
1336 1 88 LYS HA 1 89 THR H . . 3.920 3.520 3.520 3.520 . 0 0 "[ ]" 1
1337 1 88 LYS HA 1 90 GLU H . . 4.580 4.225 4.225 4.225 . 0 0 "[ ]" 1
1338 1 88 LYS HA 1 91 ARG H . . 3.880 3.119 3.119 3.119 . 0 0 "[ ]" 1
1339 1 88 LYS HA 1 91 ARG QB . . 4.410 2.132 2.132 2.132 . 0 0 "[ ]" 1
1340 1 88 LYS HA 1 92 GLU H . . 5.700 4.044 4.044 4.044 . 0 0 "[ ]" 1
1341 1 88 LYS HA 1 92 GLU QG . . 5.170 4.758 4.758 4.758 . 0 0 "[ ]" 1
1342 1 88 LYS QB 1 90 GLU H . . 6.260 5.136 5.136 5.136 . 0 0 "[ ]" 1
1343 1 88 LYS QB 1 92 GLU QG . . 4.410 3.866 3.866 3.866 . 0 0 "[ ]" 1
1344 1 88 LYS HG2 1 92 GLU H . . 5.700 6.068 6.068 6.068 0.368 1 0 "[ ]" 1
1345 1 89 THR H 1 89 THR HB . . 3.320 2.508 2.508 2.508 . 0 0 "[ ]" 1
1346 1 89 THR H 1 89 THR MG . . 4.550 3.840 3.840 3.840 . 0 0 "[ ]" 1
1347 1 89 THR H 1 90 GLU H . . 4.250 2.784 2.784 2.784 . 0 0 "[ ]" 1
1348 1 89 THR H 1 91 ARG H . . 4.380 3.940 3.940 3.940 . 0 0 "[ ]" 1
1349 1 89 THR H 1 92 GLU QG . . 4.610 4.587 4.587 4.587 . 0 0 "[ ]" 1
1350 1 89 THR HA 1 89 THR MG . . 3.460 2.431 2.431 2.431 . 0 0 "[ ]" 1
1351 1 89 THR HA 1 90 GLU H . . 4.680 3.618 3.618 3.618 . 0 0 "[ ]" 1
1352 1 89 THR HA 1 90 GLU HA . . 5.700 4.774 4.774 4.774 . 0 0 "[ ]" 1
1353 1 89 THR HA 1 91 ARG H . . 5.210 3.966 3.966 3.966 . 0 0 "[ ]" 1
1354 1 89 THR HA 1 92 GLU H . . 4.810 2.664 2.664 2.664 . 0 0 "[ ]" 1
1355 1 89 THR HA 1 92 GLU QB . . 5.100 2.495 2.495 2.495 . 0 0 "[ ]" 1
1356 1 89 THR HA 1 92 GLU QG . . 5.700 2.446 2.446 2.446 . 0 0 "[ ]" 1
1357 1 89 THR HA 1 93 ASP H . . 5.070 3.609 3.609 3.609 . 0 0 "[ ]" 1
1358 1 89 THR HA 1 93 ASP QB . . 5.700 5.162 5.162 5.162 . 0 0 "[ ]" 1
1359 1 89 THR MG 1 90 GLU H . . 6.730 3.845 3.845 3.845 . 0 0 "[ ]" 1
1360 1 90 GLU H 1 90 GLU HB2 . . 3.130 2.460 2.460 2.460 . 0 0 "[ ]" 1
1361 1 90 GLU H 1 90 GLU HB3 . . 3.520 3.597 3.597 3.597 0.077 1 0 "[ ]" 1
1362 1 90 GLU H 1 90 GLU HG3 . . 3.620 2.426 2.426 2.426 . 0 0 "[ ]" 1
1363 1 90 GLU H 1 91 ARG H . . 3.460 2.450 2.450 2.450 . 0 0 "[ ]" 1
1364 1 90 GLU H 1 92 GLU H . . 5.040 4.237 4.237 4.237 . 0 0 "[ ]" 1
1365 1 90 GLU HA 1 90 GLU HB3 . . 2.930 2.475 2.475 2.475 . 0 0 "[ ]" 1
1366 1 90 GLU HA 1 90 GLU HG3 . . 2.800 3.002 3.002 3.002 0.202 1 0 "[ ]" 1
1367 1 90 GLU HA 1 91 ARG H . . 4.050 3.521 3.521 3.521 . 0 0 "[ ]" 1
1368 1 90 GLU HA 1 92 GLU H . . 5.010 4.703 4.703 4.703 . 0 0 "[ ]" 1
1369 1 90 GLU HA 1 93 ASP H . . 4.180 3.373 3.373 3.373 . 0 0 "[ ]" 1
1370 1 90 GLU HA 1 93 ASP QB . . 3.290 2.309 2.309 2.309 . 0 0 "[ ]" 1
1371 1 90 GLU HG3 1 94 LEU MD1 . . 6.730 5.643 5.643 5.643 . 0 0 "[ ]" 1
1372 1 91 ARG H 1 91 ARG QD . . 5.700 4.723 4.723 4.723 . 0 0 "[ ]" 1
1373 1 91 ARG H 1 91 ARG QH1 . . 8.000 6.476 6.476 6.476 . 0 0 "[ ]" 1
1374 1 91 ARG H 1 92 GLU H . . 3.620 2.900 2.900 2.900 . 0 0 "[ ]" 1
1375 1 91 ARG H 1 93 ASP H . . 4.350 4.165 4.165 4.165 . 0 0 "[ ]" 1
1376 1 91 ARG HA 1 92 GLU H . . 3.690 3.622 3.622 3.622 . 0 0 "[ ]" 1
1377 1 91 ARG HA 1 93 ASP H . . 4.580 4.608 4.608 4.608 0.028 1 0 "[ ]" 1
1378 1 91 ARG HA 1 94 LEU H . . 5.540 3.650 3.650 3.650 . 0 0 "[ ]" 1
1379 1 91 ARG HA 1 94 LEU QB . . 4.780 2.744 2.744 2.744 . 0 0 "[ ]" 1
1380 1 91 ARG HA 1 95 ILE H . . 4.810 4.532 4.532 4.532 . 0 0 "[ ]" 1
1381 1 91 ARG QD 1 92 GLU H . . 5.700 3.876 3.876 3.876 . 0 0 "[ ]" 1
1382 1 91 ARG QD 1 92 GLU QG . . 5.700 4.529 4.529 4.529 . 0 0 "[ ]" 1
1383 1 91 ARG QD 1 95 ILE HB . . 5.700 5.443 5.443 5.443 . 0 0 "[ ]" 1
1384 1 91 ARG HE 1 92 GLU QG . . 5.270 5.520 5.520 5.520 0.250 1 0 "[ ]" 1
1385 1 91 ARG HE 1 95 ILE HA . . 5.700 5.264 5.264 5.264 . 0 0 "[ ]" 1
1386 1 91 ARG HE 1 95 ILE HB . . 4.810 4.531 4.531 4.531 . 0 0 "[ ]" 1
1387 1 91 ARG QH1 1 94 LEU QB . . 7.460 4.807 4.807 4.807 . 0 0 "[ ]" 1
1388 1 92 GLU H 1 92 GLU QG . . 3.060 2.332 2.332 2.332 . 0 0 "[ ]" 1
1389 1 92 GLU H 1 94 LEU H . . 5.140 4.467 4.467 4.467 . 0 0 "[ ]" 1
1390 1 92 GLU H 1 95 ILE H . . 5.470 5.059 5.059 5.059 . 0 0 "[ ]" 1
1391 1 92 GLU HA 1 93 ASP H . . 3.850 3.586 3.586 3.586 . 0 0 "[ ]" 1
1392 1 92 GLU HA 1 94 LEU H . . 4.880 4.715 4.715 4.715 . 0 0 "[ ]" 1
1393 1 92 GLU HA 1 95 ILE H . . 4.120 3.668 3.668 3.668 . 0 0 "[ ]" 1
1394 1 92 GLU HA 1 95 ILE HB . . 3.720 3.156 3.156 3.156 . 0 0 "[ ]" 1
1395 1 92 GLU HA 1 96 ALA H . . 5.540 4.246 4.246 4.246 . 0 0 "[ ]" 1
1396 1 92 GLU QG 1 93 ASP H . . 3.160 4.012 4.012 4.012 0.852 1 1 [+] 1
1397 1 93 ASP H 1 93 ASP QB . . 3.260 2.424 2.424 2.424 . 0 0 "[ ]" 1
1398 1 93 ASP H 1 94 LEU H . . 3.880 2.860 2.860 2.860 . 0 0 "[ ]" 1
1399 1 93 ASP H 1 95 ILE H . . 4.880 4.269 4.269 4.269 . 0 0 "[ ]" 1
1400 1 93 ASP HA 1 94 LEU H . . 3.620 3.581 3.581 3.581 . 0 0 "[ ]" 1
1401 1 93 ASP HA 1 95 ILE H . . 5.210 4.298 4.298 4.298 . 0 0 "[ ]" 1
1402 1 93 ASP HA 1 96 ALA H . . 5.110 3.228 3.228 3.228 . 0 0 "[ ]" 1
1403 1 93 ASP HA 1 96 ALA MB . . 4.220 2.266 2.266 2.266 . 0 0 "[ ]" 1
1404 1 93 ASP QB 1 94 LEU HA . . 4.680 4.153 4.153 4.153 . 0 0 "[ ]" 1
1405 1 93 ASP QB 1 94 LEU QB . . 6.590 4.283 4.283 4.283 . 0 0 "[ ]" 1
1406 1 93 ASP QB 1 96 ALA H . . 5.400 4.822 4.822 4.822 . 0 0 "[ ]" 1
1407 1 93 ASP QB 1 96 ALA MB . . 6.460 3.770 3.770 3.770 . 0 0 "[ ]" 1
1408 1 94 LEU H 1 94 LEU HG . . 4.840 4.249 4.249 4.249 . 0 0 "[ ]" 1
1409 1 94 LEU H 1 95 ILE H . . 3.720 2.868 2.868 2.868 . 0 0 "[ ]" 1
1410 1 94 LEU H 1 96 ALA H . . 4.680 4.274 4.274 4.274 . 0 0 "[ ]" 1
1411 1 94 LEU HA 1 94 LEU MD1 . . 4.220 2.209 2.209 2.209 . 0 0 "[ ]" 1
1412 1 94 LEU HA 1 94 LEU HG . . 3.820 2.546 2.546 2.546 . 0 0 "[ ]" 1
1413 1 94 LEU HA 1 95 ILE H . . 4.540 3.580 3.580 3.580 . 0 0 "[ ]" 1
1414 1 94 LEU HA 1 96 ALA H . . 4.580 4.591 4.591 4.591 0.011 1 0 "[ ]" 1
1415 1 94 LEU HA 1 97 TYR H . . 3.390 3.469 3.469 3.469 0.079 1 0 "[ ]" 1
1416 1 94 LEU HA 1 97 TYR HB2 . . 5.500 3.920 3.920 3.920 . 0 0 "[ ]" 1
1417 1 94 LEU HA 1 97 TYR HB3 . . 3.850 2.453 2.453 2.453 . 0 0 "[ ]" 1
1418 1 94 LEU HA 1 98 LEU H . . 4.970 3.629 3.629 3.629 . 0 0 "[ ]" 1
1419 1 94 LEU HA 1 98 LEU QB . . 5.930 4.737 4.737 4.737 . 0 0 "[ ]" 1
1420 1 94 LEU QB 1 95 ILE H . . 4.480 2.750 2.750 2.750 . 0 0 "[ ]" 1
1421 1 94 LEU QB 1 97 TYR H . . 5.960 5.020 5.020 5.020 . 0 0 "[ ]" 1
1422 1 94 LEU QB 1 98 LEU MD1 . . 6.030 3.012 3.012 3.012 . 0 0 "[ ]" 1
1423 1 94 LEU MD1 1 96 ALA H . . 6.200 5.797 5.797 5.797 . 0 0 "[ ]" 1
1424 1 94 LEU MD1 1 98 LEU HG . . 6.730 4.749 4.749 4.749 . 0 0 "[ ]" 1
1425 1 94 LEU MD2 1 95 ILE H . . 5.770 4.711 4.711 4.711 . 0 0 "[ ]" 1
1426 1 94 LEU HG 1 95 ILE H . . 5.040 5.059 5.059 5.059 0.019 1 0 "[ ]" 1
1427 1 95 ILE H 1 95 ILE MD . . 4.750 3.415 3.415 3.415 . 0 0 "[ ]" 1
1428 1 95 ILE H 1 95 ILE HG12 . . 4.080 2.380 2.380 2.380 . 0 0 "[ ]" 1
1429 1 95 ILE H 1 96 ALA H . . 3.520 2.610 2.610 2.610 . 0 0 "[ ]" 1
1430 1 95 ILE H 1 96 ALA HA . . 5.300 5.270 5.270 5.270 . 0 0 "[ ]" 1
1431 1 95 ILE H 1 97 TYR H . . 4.880 4.191 4.191 4.191 . 0 0 "[ ]" 1
1432 1 95 ILE HA 1 96 ALA H . . 4.380 3.595 3.595 3.595 . 0 0 "[ ]" 1
1433 1 95 ILE HA 1 97 TYR H . . 4.910 4.626 4.626 4.626 . 0 0 "[ ]" 1
1434 1 95 ILE HA 1 98 LEU H . . 4.510 3.516 3.516 3.516 . 0 0 "[ ]" 1
1435 1 95 ILE HA 1 98 LEU QB . . 4.710 3.086 3.086 3.086 . 0 0 "[ ]" 1
1436 1 95 ILE HA 1 98 LEU MD1 . . 5.370 3.909 3.909 3.909 . 0 0 "[ ]" 1
1437 1 95 ILE HA 1 99 LYS H . . 4.180 3.615 3.615 3.615 . 0 0 "[ ]" 1
1438 1 95 ILE MG 1 96 ALA H . . 6.690 3.403 3.403 3.403 . 0 0 "[ ]" 1
1439 1 95 ILE MG 1 99 LYS H . . 6.730 3.914 3.914 3.914 . 0 0 "[ ]" 1
1440 1 96 ALA H 1 97 TYR H . . 3.920 2.885 2.885 2.885 . 0 0 "[ ]" 1
1441 1 96 ALA H 1 98 LEU H . . 4.780 4.473 4.473 4.473 . 0 0 "[ ]" 1
1442 1 96 ALA H 1 99 LYS H . . 5.700 4.814 4.814 4.814 . 0 0 "[ ]" 1
1443 1 96 ALA HA 1 97 TYR H . . 3.550 3.586 3.586 3.586 0.036 1 0 "[ ]" 1
1444 1 96 ALA HA 1 98 LEU H . . 5.700 4.933 4.933 4.933 . 0 0 "[ ]" 1
1445 1 96 ALA HA 1 99 LYS H . . 4.210 3.936 3.936 3.936 . 0 0 "[ ]" 1
1446 1 96 ALA HA 1 99 LYS HB2 . . 4.510 3.778 3.778 3.778 . 0 0 "[ ]" 1
1447 1 96 ALA HA 1 99 LYS HB3 . . 3.060 2.988 2.988 2.988 . 0 0 "[ ]" 1
1448 1 96 ALA HA 1 100 LYS H . . 5.700 4.583 4.583 4.583 . 0 0 "[ ]" 1
1449 1 96 ALA HA 1 100 LYS HG3 . . 5.700 5.918 5.918 5.918 0.218 1 0 "[ ]" 1
1450 1 96 ALA MB 1 97 TYR H . . 4.550 2.464 2.464 2.464 . 0 0 "[ ]" 1
1451 1 96 ALA MB 1 97 TYR HB3 . . 6.730 4.293 4.293 4.293 . 0 0 "[ ]" 1
1452 1 96 ALA MB 1 100 LYS QB . . 7.450 5.282 5.282 5.282 . 0 0 "[ ]" 1
1453 1 97 TYR H 1 97 TYR HB2 . . 3.260 2.749 2.749 2.749 . 0 0 "[ ]" 1
1454 1 97 TYR H 1 97 TYR HB3 . . 3.320 2.209 2.209 2.209 . 0 0 "[ ]" 1
1455 1 97 TYR H 1 98 LEU H . . 3.360 2.947 2.947 2.947 . 0 0 "[ ]" 1
1456 1 97 TYR HA 1 97 TYR HB2 . . 3.060 2.324 2.324 2.324 . 0 0 "[ ]" 1
1457 1 97 TYR HA 1 98 LEU H . . 4.210 3.646 3.646 3.646 . 0 0 "[ ]" 1
1458 1 97 TYR HA 1 99 LYS H . . 4.580 4.578 4.578 4.578 . 0 0 "[ ]" 1
1459 1 97 TYR HA 1 100 LYS H . . 5.600 3.699 3.699 3.699 . 0 0 "[ ]" 1
1460 1 97 TYR HA 1 100 LYS QB . . 4.910 2.972 2.972 2.972 . 0 0 "[ ]" 1
1461 1 97 TYR HA 1 101 ALA H . . 5.440 4.060 4.060 4.060 . 0 0 "[ ]" 1
1462 1 97 TYR HB2 1 97 TYR HE1 . . 5.700 5.049 5.049 5.049 . 0 0 "[ ]" 1
1463 1 97 TYR HB2 1 98 LEU H . . 4.280 3.999 3.999 3.999 . 0 0 "[ ]" 1
1464 1 97 TYR HB3 1 98 LEU H . . 3.980 2.623 2.623 2.623 . 0 0 "[ ]" 1
1465 1 97 TYR QD 1 98 LEU H . . 5.700 3.511 3.511 3.511 . 0 0 "[ ]" 1
1466 1 97 TYR QD 1 98 LEU QB . . 6.590 4.452 4.452 4.452 . 0 0 "[ ]" 1
1467 1 97 TYR QD 1 98 LEU MD1 . . 6.660 3.444 3.444 3.444 . 0 0 "[ ]" 1
1468 1 97 TYR QD 1 98 LEU MD2 . . 6.730 3.239 3.239 3.239 . 0 0 "[ ]" 1
1469 1 97 TYR QD 1 98 LEU HG . . 5.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
1470 1 97 TYR QD 1 101 ALA MB . . 6.730 3.073 3.073 3.073 . 0 0 "[ ]" 1
1471 1 97 TYR HE1 1 98 LEU MD1 . . 6.730 6.291 6.291 6.291 . 0 0 "[ ]" 1
1472 1 97 TYR HE1 1 98 LEU MD2 . . 6.730 3.971 3.971 3.971 . 0 0 "[ ]" 1
1473 1 97 TYR HE1 1 101 ALA MB . . 6.690 2.619 2.619 2.619 . 0 0 "[ ]" 1
1474 1 97 TYR HE2 1 98 LEU MD1 . . 6.630 3.549 3.549 3.549 . 0 0 "[ ]" 1
1475 1 98 LEU H 1 98 LEU MD1 . . 5.180 3.443 3.443 3.443 . 0 0 "[ ]" 1
1476 1 98 LEU H 1 98 LEU HG . . 3.620 2.353 2.353 2.353 . 0 0 "[ ]" 1
1477 1 98 LEU H 1 99 LYS H . . 3.620 2.748 2.748 2.748 . 0 0 "[ ]" 1
1478 1 98 LEU H 1 99 LYS HA . . 5.630 5.418 5.418 5.418 . 0 0 "[ ]" 1
1479 1 98 LEU H 1 100 LYS H . . 4.610 4.200 4.200 4.200 . 0 0 "[ ]" 1
1480 1 98 LEU H 1 101 ALA H . . 5.700 4.540 4.540 4.540 . 0 0 "[ ]" 1
1481 1 98 LEU HA 1 98 LEU MD2 . . 4.450 2.134 2.134 2.134 . 0 0 "[ ]" 1
1482 1 98 LEU HA 1 99 LYS H . . 4.120 3.506 3.506 3.506 . 0 0 "[ ]" 1
1483 1 98 LEU HA 1 100 LYS H . . 4.710 3.879 3.879 3.879 . 0 0 "[ ]" 1
1484 1 98 LEU HA 1 101 ALA H . . 4.280 2.709 2.709 2.709 . 0 0 "[ ]" 1
1485 1 98 LEU HA 1 101 ALA MB . . 5.610 2.091 2.091 2.091 . 0 0 "[ ]" 1
1486 1 98 LEU HA 1 102 THR H . . 4.740 4.520 4.520 4.520 . 0 0 "[ ]" 1
1487 1 98 LEU HA 1 102 THR MG . . 5.900 5.038 5.038 5.038 . 0 0 "[ ]" 1
1488 1 98 LEU QB 1 99 LYS H . . 4.540 3.104 3.104 3.104 . 0 0 "[ ]" 1
1489 1 98 LEU QB 1 101 ALA H . . 6.590 4.622 4.622 4.622 . 0 0 "[ ]" 1
1490 1 98 LEU QB 1 102 THR H . . 5.670 5.520 5.520 5.520 . 0 0 "[ ]" 1
1491 1 98 LEU QB 1 102 THR MG . . 7.420 5.043 5.043 5.043 . 0 0 "[ ]" 1
1492 1 98 LEU MD1 1 99 LYS H . . 6.330 4.966 4.966 4.966 . 0 0 "[ ]" 1
1493 1 98 LEU HG 1 101 ALA H . . 5.700 5.289 5.289 5.289 . 0 0 "[ ]" 1
1494 1 99 LYS H 1 99 LYS HB2 . . 3.060 2.530 2.530 2.530 . 0 0 "[ ]" 1
1495 1 99 LYS H 1 99 LYS HB3 . . 3.360 2.430 2.430 2.430 . 0 0 "[ ]" 1
1496 1 99 LYS H 1 99 LYS HE2 . . 5.700 5.185 5.185 5.185 . 0 0 "[ ]" 1
1497 1 99 LYS H 1 100 LYS H . . 3.390 2.690 2.690 2.690 . 0 0 "[ ]" 1
1498 1 99 LYS H 1 101 ALA H . . 5.600 4.202 4.202 4.202 . 0 0 "[ ]" 1
1499 1 99 LYS H 1 101 ALA MB . . 6.730 4.789 4.789 4.789 . 0 0 "[ ]" 1
1500 1 99 LYS HA 1 99 LYS HB2 . . 2.930 2.499 2.499 2.499 . 0 0 "[ ]" 1
1501 1 99 LYS HA 1 99 LYS QG . . 3.850 2.813 2.813 2.813 . 0 0 "[ ]" 1
1502 1 99 LYS HA 1 100 LYS H . . 3.390 3.508 3.508 3.508 0.118 1 0 "[ ]" 1
1503 1 99 LYS HA 1 102 THR H . . 4.740 4.770 4.770 4.770 0.030 1 0 "[ ]" 1
1504 1 99 LYS HA 1 102 THR MG . . 6.730 3.623 3.623 3.623 . 0 0 "[ ]" 1
1505 1 99 LYS HB2 1 99 LYS QG . . 2.600 2.522 2.522 2.522 . 0 0 "[ ]" 1
1506 1 99 LYS HB3 1 100 LYS QB . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 1
1507 1 99 LYS HB3 1 101 ALA H . . 5.600 5.101 5.101 5.101 . 0 0 "[ ]" 1
1508 1 99 LYS HE2 1 102 THR MG . . 6.730 4.303 4.303 4.303 . 0 0 "[ ]" 1
1509 1 99 LYS QG 1 100 LYS H . . 4.740 3.610 3.610 3.610 . 0 0 "[ ]" 1
1510 1 99 LYS QG 1 100 LYS HD2 . . 5.700 5.042 5.042 5.042 . 0 0 "[ ]" 1
1511 1 100 LYS H 1 100 LYS HD2 . . 4.940 4.711 4.711 4.711 . 0 0 "[ ]" 1
1512 1 100 LYS H 1 100 LYS HE2 . . 5.700 5.998 5.998 5.998 0.298 1 0 "[ ]" 1
1513 1 100 LYS H 1 100 LYS HG3 . . 4.350 3.990 3.990 3.990 . 0 0 "[ ]" 1
1514 1 100 LYS H 1 101 ALA H . . 3.130 2.597 2.597 2.597 . 0 0 "[ ]" 1
1515 1 100 LYS H 1 101 ALA MB . . 5.470 4.193 4.193 4.193 . 0 0 "[ ]" 1
1516 1 100 LYS H 1 102 THR H . . 5.370 4.573 4.573 4.573 . 0 0 "[ ]" 1
1517 1 100 LYS H 1 103 ASN QD . . 5.700 4.385 4.385 4.385 . 0 0 "[ ]" 1
1518 1 100 LYS HA 1 100 LYS HD2 . . 4.380 2.598 2.598 2.598 . 0 0 "[ ]" 1
1519 1 100 LYS HA 1 100 LYS HG3 . . 3.820 3.703 3.703 3.703 . 0 0 "[ ]" 1
1520 1 100 LYS HA 1 101 ALA H . . 4.180 3.567 3.567 3.567 . 0 0 "[ ]" 1
1521 1 100 LYS HA 1 102 THR H . . 4.510 3.888 3.888 3.888 . 0 0 "[ ]" 1
1522 1 100 LYS HA 1 103 ASN H . . 3.950 3.857 3.857 3.857 . 0 0 "[ ]" 1
1523 1 100 LYS HA 1 103 ASN QB . . 4.680 4.549 4.549 4.549 . 0 0 "[ ]" 1
1524 1 100 LYS HA 1 103 ASN QD . . 5.040 2.637 2.637 2.637 . 0 0 "[ ]" 1
1525 1 100 LYS HA 1 104 GLU H . . 5.700 3.784 3.784 3.784 . 0 0 "[ ]" 1
1526 1 100 LYS QB 1 101 ALA H . . 4.380 2.603 2.603 2.603 . 0 0 "[ ]" 1
1527 1 100 LYS QB 1 103 ASN QD . . 6.590 4.532 4.532 4.532 . 0 0 "[ ]" 1
1528 1 100 LYS QB 1 104 GLU QB . . 3.880 2.134 2.134 2.134 . 0 0 "[ ]" 1
1529 1 100 LYS QB 1 104 GLU QG . . 5.770 3.251 3.251 3.251 . 0 0 "[ ]" 1
1530 1 100 LYS HD2 1 100 LYS HG3 . . 2.400 2.615 2.615 2.615 0.215 1 0 "[ ]" 1
1531 1 100 LYS HD2 1 101 ALA H . . 5.700 5.526 5.526 5.526 . 0 0 "[ ]" 1
1532 1 100 LYS HG3 1 101 ALA H . . 5.700 5.043 5.043 5.043 . 0 0 "[ ]" 1
1533 1 101 ALA H 1 102 THR H . . 3.880 3.184 3.184 3.184 . 0 0 "[ ]" 1
1534 1 101 ALA H 1 103 ASN H . . 4.780 4.496 4.496 4.496 . 0 0 "[ ]" 1
1535 1 101 ALA H 1 104 GLU H . . 5.700 4.595 4.595 4.595 . 0 0 "[ ]" 1
1536 1 101 ALA HA 1 102 THR H . . 3.420 3.382 3.382 3.382 . 0 0 "[ ]" 1
1537 1 101 ALA HA 1 102 THR MG . . 6.730 5.138 5.138 5.138 . 0 0 "[ ]" 1
1538 1 101 ALA HA 1 103 ASN H . . 4.510 3.618 3.618 3.618 . 0 0 "[ ]" 1
1539 1 101 ALA HA 1 104 GLU H . . 5.470 3.319 3.319 3.319 . 0 0 "[ ]" 1
1540 1 101 ALA HA 1 104 GLU QB . . 3.620 4.473 4.473 4.473 0.853 1 1 [+] 1
1541 1 101 ALA MB 1 102 THR H . . 5.140 3.211 3.211 3.211 . 0 0 "[ ]" 1
1542 1 101 ALA MB 1 102 THR MG . . 6.670 4.213 4.213 4.213 . 0 0 "[ ]" 1
1543 1 102 THR H 1 102 THR HB . . 4.020 3.026 3.026 3.026 . 0 0 "[ ]" 1
1544 1 102 THR H 1 103 ASN H . . 3.090 2.389 2.389 2.389 . 0 0 "[ ]" 1
1545 1 102 THR H 1 104 GLU H . . 5.070 3.710 3.710 3.710 . 0 0 "[ ]" 1
1546 1 102 THR MG 1 103 ASN QB . . 6.730 3.399 3.399 3.399 . 0 0 "[ ]" 1
1547 1 103 ASN H 1 103 ASN QB . . 3.590 3.268 3.268 3.268 . 0 0 "[ ]" 1
1548 1 103 ASN H 1 103 ASN QD . . 5.700 3.046 3.046 3.046 . 0 0 "[ ]" 1
1549 1 103 ASN H 1 104 GLU H . . 2.960 1.798 1.798 1.798 . 0 0 "[ ]" 1
1550 1 103 ASN HA 1 104 GLU H . . 4.120 3.487 3.487 3.487 . 0 0 "[ ]" 1
1551 1 103 ASN HA 1 104 GLU HA . . 5.700 4.713 4.713 4.713 . 0 0 "[ ]" 1
1552 1 103 ASN QB 1 104 GLU H . . 4.880 3.824 3.824 3.824 . 0 0 "[ ]" 1
1553 1 103 ASN QD 1 104 GLU QG . . 5.700 6.394 6.394 6.394 0.694 1 1 [+] 1
1554 1 104 GLU H 1 104 GLU QG . . 4.310 4.064 4.064 4.064 . 0 0 "[ ]" 1
1555 1 104 GLU HA 1 104 GLU QB . . 2.800 2.383 2.383 2.383 . 0 0 "[ ]" 1
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