NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382937 |
1jrm   |
5104 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jrm
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 1456
_Distance_constraint_stats_list.Viol_count 223
_Distance_constraint_stats_list.Viol_total 65.183
_Distance_constraint_stats_list.Viol_max 1.450
_Distance_constraint_stats_list.Viol_rms 0.1455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0448
_Distance_constraint_stats_list.Viol_average_violations_only 0.2923
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.427 0.427 1 0 "[ ]"
1 2 ILE 0.669 0.427 1 0 "[ ]"
1 3 THR 0.017 0.017 1 0 "[ ]"
1 4 MET 0.000 0.000 . 0 "[ ]"
1 5 ASP 0.347 0.202 1 0 "[ ]"
1 6 CYS 0.586 0.315 1 0 "[ ]"
1 7 LEU 0.386 0.241 1 0 "[ ]"
1 8 ARG 0.351 0.351 1 0 "[ ]"
1 9 GLU 1.044 0.804 1 1 [+]
1 10 VAL 2.231 0.804 1 1 [+]
1 11 GLY 0.195 0.195 1 0 "[ ]"
1 12 ASP 1.714 0.404 1 0 "[ ]"
1 13 ASP 2.780 0.780 1 1 [+]
1 14 LEU 2.692 0.780 1 1 [+]
1 15 LEU 1.496 0.471 1 0 "[ ]"
1 16 VAL 1.679 0.510 1 1 [+]
1 17 ASN 0.934 0.315 1 0 "[ ]"
1 18 ILE 1.418 0.455 1 0 "[ ]"
1 19 GLU 1.514 0.877 1 1 [+]
1 20 VAL 0.187 0.187 1 0 "[ ]"
1 21 SER 0.771 0.396 1 0 "[ ]"
1 22 PRO 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.381 0.381 1 0 "[ ]"
1 24 SER 0.089 0.089 1 0 "[ ]"
1 25 GLY 0.313 0.313 1 0 "[ ]"
1 26 LYS 0.313 0.313 1 0 "[ ]"
1 27 PHE 0.507 0.507 1 1 [+]
1 28 GLY 2.729 0.731 1 1 [+]
1 29 ILE 0.489 0.489 1 0 "[ ]"
1 30 PRO 0.000 0.000 . 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 32 TYR 0.894 0.692 1 1 [+]
1 33 ASN 1.773 0.768 1 1 [+]
1 34 GLU 0.000 0.000 . 0 "[ ]"
1 35 TRP 0.000 0.000 . 0 "[ ]"
1 36 ARG 0.000 0.000 . 0 "[ ]"
1 37 LYS 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 ILE 0.768 0.768 1 1 [+]
1 40 GLU 0.917 0.877 1 1 [+]
1 41 VAL 0.996 0.471 1 0 "[ ]"
1 42 LYS 1.562 0.504 1 1 [+]
1 43 ILE 0.381 0.381 1 0 "[ ]"
1 44 HIS 1.040 0.878 1 1 [+]
1 45 SER 0.878 0.878 1 1 [+]
1 46 PRO 0.000 0.000 . 0 "[ ]"
1 47 PRO 0.000 0.000 . 0 "[ ]"
1 48 GLN 0.031 0.031 1 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 LYS 0.000 0.000 . 0 "[ ]"
1 52 ALA 1.045 0.396 1 0 "[ ]"
1 53 ASN 1.130 0.560 1 1 [+]
1 54 ARG 1.422 0.547 1 1 [+]
1 55 GLU 1.528 0.560 1 1 [+]
1 56 ILE 1.351 0.432 1 0 "[ ]"
1 57 ILE 1.367 0.547 1 1 [+]
1 58 LYS 1.163 0.338 1 0 "[ ]"
1 59 GLU 0.428 0.204 1 0 "[ ]"
1 60 PHE 0.423 0.187 1 0 "[ ]"
1 61 SER 0.428 0.292 1 0 "[ ]"
1 62 GLU 1.892 0.462 1 0 "[ ]"
1 63 THR 2.376 0.792 1 1 [+]
1 64 PHE 1.576 0.792 1 1 [+]
1 65 GLY 1.087 0.397 1 0 "[ ]"
1 66 ARG 1.694 0.632 1 1 [+]
1 67 ASP 2.872 1.044 1 1 [+]
1 68 VAL 2.237 1.044 1 1 [+]
1 69 GLU 2.111 0.608 1 1 [+]
1 70 ILE 2.012 0.808 1 1 [+]
1 71 VAL 3.562 1.387 1 1 [+]
1 72 SER 4.534 1.450 1 1 [+]
1 73 GLY 0.000 0.000 . 0 "[ ]"
1 74 GLN 0.000 0.000 . 0 "[ ]"
1 75 LYS 0.710 0.298 1 0 "[ ]"
1 76 SER 0.195 0.195 1 0 "[ ]"
1 77 ARG 0.557 0.370 1 0 "[ ]"
1 78 GLN 0.816 0.370 1 0 "[ ]"
1 79 LYS 4.611 1.450 1 1 [+]
1 80 THR 3.229 1.301 1 1 [+]
1 81 ILE 2.801 0.671 1 1 [+]
1 82 ARG 3.857 1.294 1 1 [+]
1 83 ILE 1.764 0.471 1 0 "[ ]"
1 84 GLN 3.312 0.857 1 1 [+]
1 85 GLY 2.505 0.857 1 1 [+]
1 86 MET 2.060 0.947 1 1 [+]
1 87 GLY 2.201 0.947 1 1 [+]
1 88 ARG 1.942 0.509 1 1 [+]
1 89 ASP 1.717 0.570 1 1 [+]
1 90 LEU 1.214 0.510 1 1 [+]
1 91 PHE 1.170 0.510 1 1 [+]
1 92 LEU 1.784 0.560 1 1 [+]
1 93 LYS 0.844 0.570 1 1 [+]
1 94 LEU 2.117 0.696 1 1 [+]
1 95 VAL 0.498 0.264 1 0 "[ ]"
1 96 SER 0.482 0.482 1 0 "[ ]"
1 97 GLU 0.666 0.212 1 0 "[ ]"
1 98 LYS 0.711 0.297 1 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 100 GLY 0.000 0.000 . 0 "[ ]"
1 101 LEU 0.607 0.477 1 0 "[ ]"
1 102 GLU 0.477 0.477 1 0 "[ ]"
1 103 ILE 0.178 0.178 1 0 "[ ]"
1 104 PRO 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 1 VAL HB . . 2.650 2.318 2.318 2.318 . 0 0 "[ ]" 1
2 1 1 VAL HA 1 2 ILE H . . 2.400 2.827 2.827 2.827 0.427 1 0 "[ ]" 1
3 1 1 VAL HB 1 2 ILE H . . 3.020 2.190 2.190 2.190 . 0 0 "[ ]" 1
4 1 1 VAL QG 1 101 LEU HG . . 5.670 4.085 4.085 4.085 . 0 0 "[ ]" 1
5 1 2 ILE H 1 2 ILE HB . . 2.520 2.281 2.281 2.281 . 0 0 "[ ]" 1
6 1 2 ILE H 1 2 ILE HG12 . . 3.980 4.070 4.070 4.070 0.090 1 0 "[ ]" 1
7 1 2 ILE H 1 2 ILE HG13 . . 3.980 3.189 3.189 3.189 . 0 0 "[ ]" 1
8 1 2 ILE H 1 2 ILE MG . . 4.140 3.567 3.567 3.567 . 0 0 "[ ]" 1
9 1 2 ILE HA 1 2 ILE HB . . 2.830 2.983 2.983 2.983 0.153 1 0 "[ ]" 1
10 1 2 ILE HA 1 2 ILE MG . . 3.430 2.606 2.606 2.606 . 0 0 "[ ]" 1
11 1 2 ILE HA 1 3 THR H . . 2.710 2.176 2.176 2.176 . 0 0 "[ ]" 1
12 1 2 ILE HB 1 2 ILE MD . . 3.430 2.390 2.390 2.390 . 0 0 "[ ]" 1
13 1 2 ILE HB 1 3 THR H . . 5.100 4.558 4.558 4.558 . 0 0 "[ ]" 1
14 1 2 ILE MG 1 3 THR H . . 6.530 2.950 2.950 2.950 . 0 0 "[ ]" 1
15 1 3 THR H 1 3 THR HB . . 3.860 3.819 3.819 3.819 . 0 0 "[ ]" 1
16 1 3 THR HA 1 3 THR HB . . 2.710 2.727 2.727 2.727 0.017 1 0 "[ ]" 1
17 1 3 THR HA 1 4 MET H . . 3.140 3.013 3.013 3.013 . 0 0 "[ ]" 1
18 1 3 THR HA 1 104 PRO QG . . 6.380 3.574 3.574 3.574 . 0 0 "[ ]" 1
19 1 4 MET H 1 4 MET QB . . 3.820 2.537 2.537 2.537 . 0 0 "[ ]" 1
20 1 4 MET HA 1 5 ASP H . . 2.900 2.476 2.476 2.476 . 0 0 "[ ]" 1
21 1 4 MET QB 1 5 ASP H . . 3.870 2.497 2.497 2.497 . 0 0 "[ ]" 1
22 1 4 MET HB2 1 5 ASP H . . 4.040 3.612 3.612 3.612 . 0 0 "[ ]" 1
23 1 4 MET HB3 1 5 ASP H . . 4.040 2.546 2.546 2.546 . 0 0 "[ ]" 1
24 1 5 ASP H 1 5 ASP HB2 . . 3.580 3.164 3.164 3.164 . 0 0 "[ ]" 1
25 1 5 ASP H 1 5 ASP QB . . 3.330 2.939 2.939 2.939 . 0 0 "[ ]" 1
26 1 5 ASP H 1 5 ASP HB3 . . 3.580 3.489 3.489 3.489 . 0 0 "[ ]" 1
27 1 5 ASP HA 1 5 ASP HB2 . . 2.960 2.898 2.898 2.898 . 0 0 "[ ]" 1
28 1 5 ASP HA 1 5 ASP QB . . 2.740 2.191 2.191 2.191 . 0 0 "[ ]" 1
29 1 5 ASP HA 1 5 ASP HB3 . . 2.960 2.268 2.268 2.268 . 0 0 "[ ]" 1
30 1 5 ASP HA 1 7 LEU H . . 4.820 3.629 3.629 3.629 . 0 0 "[ ]" 1
31 1 5 ASP HA 1 7 LEU HG . . 3.860 3.909 3.909 3.909 0.049 1 0 "[ ]" 1
32 1 5 ASP HA 1 32 TYR H . . 4.660 4.862 4.862 4.862 0.202 1 0 "[ ]" 1
33 1 5 ASP QB 1 7 LEU H . . 3.870 3.758 3.758 3.758 . 0 0 "[ ]" 1
34 1 5 ASP HB2 1 7 LEU H . . 4.170 4.223 4.223 4.223 0.053 1 0 "[ ]" 1
35 1 5 ASP HB3 1 7 LEU H . . 4.170 4.212 4.212 4.212 0.042 1 0 "[ ]" 1
36 1 6 CYS HA 1 17 ASN H . . 3.580 3.895 3.895 3.895 0.315 1 0 "[ ]" 1
37 1 6 CYS HA 1 17 ASN HB2 . . 4.850 3.466 3.466 3.466 . 0 0 "[ ]" 1
38 1 6 CYS HA 1 17 ASN QB . . 4.630 3.397 3.397 3.397 . 0 0 "[ ]" 1
39 1 6 CYS HA 1 17 ASN HB3 . . 4.850 4.881 4.881 4.881 0.031 1 0 "[ ]" 1
40 1 6 CYS QB 1 7 LEU H . . 3.670 3.636 3.636 3.636 . 0 0 "[ ]" 1
41 1 6 CYS QB 1 7 LEU HG . . 6.190 5.089 5.089 5.089 . 0 0 "[ ]" 1
42 1 6 CYS QB 1 32 TYR H . . 5.230 2.132 2.132 2.132 . 0 0 "[ ]" 1
43 1 6 CYS HB2 1 7 LEU H . . 4.010 4.251 4.251 4.251 0.241 1 0 "[ ]" 1
44 1 6 CYS HB2 1 32 TYR H . . 5.410 3.325 3.325 3.325 . 0 0 "[ ]" 1
45 1 6 CYS HB3 1 7 LEU H . . 4.010 3.951 3.951 3.951 . 0 0 "[ ]" 1
46 1 6 CYS HB3 1 32 TYR H . . 5.410 2.157 2.157 2.157 . 0 0 "[ ]" 1
47 1 7 LEU H 1 7 LEU HG . . 3.700 1.841 1.841 1.841 . 0 0 "[ ]" 1
48 1 7 LEU HA 1 7 LEU HG . . 3.890 3.679 3.679 3.679 . 0 0 "[ ]" 1
49 1 7 LEU HA 1 8 ARG H . . 2.520 2.207 2.207 2.207 . 0 0 "[ ]" 1
50 1 7 LEU HA 1 8 ARG QB . . 5.600 3.965 3.965 3.965 . 0 0 "[ ]" 1
51 1 7 LEU HA 1 14 LEU QD . . 8.100 2.428 2.428 2.428 . 0 0 "[ ]" 1
52 1 7 LEU HA 1 16 VAL HA . . 3.360 1.966 1.966 1.966 . 0 0 "[ ]" 1
53 1 7 LEU HA 1 16 VAL HB . . 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
54 1 7 LEU HA 1 16 VAL QG . . 6.880 1.967 1.967 1.967 . 0 0 "[ ]" 1
55 1 7 LEU HA 1 17 ASN H . . 4.260 3.765 3.765 3.765 . 0 0 "[ ]" 1
56 1 7 LEU QB 1 14 LEU QD . . 7.610 1.653 1.653 1.653 . 0 0 "[ ]" 1
57 1 7 LEU QD 1 16 VAL HA . . 5.830 3.825 3.825 3.825 . 0 0 "[ ]" 1
58 1 7 LEU QD 1 16 VAL QG . . 8.090 1.789 1.789 1.789 . 0 0 "[ ]" 1
59 1 7 LEU QD 1 88 ARG QB . . 8.850 3.156 3.156 3.156 . 0 0 "[ ]" 1
60 1 7 LEU MD1 1 8 ARG H . . 6.530 5.032 5.032 5.032 . 0 0 "[ ]" 1
61 1 7 LEU MD1 1 16 VAL HA . . 6.530 5.485 5.485 5.485 . 0 0 "[ ]" 1
62 1 7 LEU MD1 1 16 VAL MG1 . . 10.680 3.445 3.445 3.445 . 0 0 "[ ]" 1
63 1 7 LEU MD1 1 16 VAL MG2 . . 10.680 3.963 3.963 3.963 . 0 0 "[ ]" 1
64 1 7 LEU MD1 1 91 PHE QD . . 8.650 2.212 2.212 2.212 . 0 0 "[ ]" 1
65 1 7 LEU MD2 1 8 ARG H . . 6.530 4.929 4.929 4.929 . 0 0 "[ ]" 1
66 1 7 LEU MD2 1 16 VAL HA . . 6.530 3.903 3.903 3.903 . 0 0 "[ ]" 1
67 1 7 LEU MD2 1 16 VAL MG1 . . 10.680 1.803 1.803 1.803 . 0 0 "[ ]" 1
68 1 7 LEU MD2 1 16 VAL MG2 . . 10.680 3.475 3.475 3.475 . 0 0 "[ ]" 1
69 1 7 LEU MD2 1 91 PHE QD . . 8.650 2.799 2.799 2.799 . 0 0 "[ ]" 1
70 1 8 ARG H 1 14 LEU QD . . 6.450 2.169 2.169 2.169 . 0 0 "[ ]" 1
71 1 8 ARG H 1 15 LEU H . . 3.110 2.580 2.580 2.580 . 0 0 "[ ]" 1
72 1 8 ARG H 1 15 LEU QB . . 3.370 3.133 3.133 3.133 . 0 0 "[ ]" 1
73 1 8 ARG H 1 15 LEU O . . 2.000 1.176 1.176 1.176 . 0 0 "[ ]" 1
74 1 8 ARG H 1 16 VAL H . . 3.980 4.331 4.331 4.331 0.351 1 0 "[ ]" 1
75 1 8 ARG H 1 16 VAL HA . . 3.360 3.206 3.206 3.206 . 0 0 "[ ]" 1
76 1 8 ARG H 1 16 VAL QG . . 6.940 3.283 3.283 3.283 . 0 0 "[ ]" 1
77 1 8 ARG HA 1 8 ARG QG . . 3.800 2.250 2.250 2.250 . 0 0 "[ ]" 1
78 1 8 ARG HA 1 9 GLU H . . 2.460 2.235 2.235 2.235 . 0 0 "[ ]" 1
79 1 8 ARG HA 1 9 GLU QB . . 4.610 4.036 4.036 4.036 . 0 0 "[ ]" 1
80 1 8 ARG HA 1 9 GLU QG . . 6.380 5.255 5.255 5.255 . 0 0 "[ ]" 1
81 1 8 ARG QB 1 9 GLU H . . 4.360 3.739 3.739 3.739 . 0 0 "[ ]" 1
82 1 8 ARG QB 1 15 LEU H . . 6.380 2.784 2.784 2.784 . 0 0 "[ ]" 1
83 1 8 ARG QB 1 15 LEU QB . . 5.370 2.034 2.034 2.034 . 0 0 "[ ]" 1
84 1 8 ARG QB 1 15 LEU QD . . 6.340 2.966 2.966 2.966 . 0 0 "[ ]" 1
85 1 8 ARG QD 1 9 GLU H . . 6.380 4.756 4.756 4.756 . 0 0 "[ ]" 1
86 1 8 ARG QD 1 15 LEU QD . . 7.050 3.207 3.207 3.207 . 0 0 "[ ]" 1
87 1 8 ARG QG 1 9 GLU H . . 6.070 2.900 2.900 2.900 . 0 0 "[ ]" 1
88 1 8 ARG QG 1 10 VAL QG . . 5.960 2.825 2.825 2.825 . 0 0 "[ ]" 1
89 1 8 ARG HG2 1 10 VAL QG . . 6.570 2.878 2.878 2.878 . 0 0 "[ ]" 1
90 1 8 ARG HG3 1 10 VAL QG . . 6.570 4.110 4.110 4.110 . 0 0 "[ ]" 1
91 1 8 ARG N 1 15 LEU O . . 3.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
92 1 8 ARG O 1 15 LEU H . . 2.000 1.606 1.606 1.606 . 0 0 "[ ]" 1
93 1 8 ARG O 1 15 LEU N . . 3.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
94 1 9 GLU H 1 9 GLU QB . . 3.830 2.106 2.106 2.106 . 0 0 "[ ]" 1
95 1 9 GLU H 1 9 GLU QG . . 4.550 3.680 3.680 3.680 . 0 0 "[ ]" 1
96 1 9 GLU H 1 10 VAL H . . 3.550 4.354 4.354 4.354 0.804 1 1 [+] 1
97 1 9 GLU H 1 10 VAL QG . . 7.620 3.752 3.752 3.752 . 0 0 "[ ]" 1
98 1 9 GLU H 1 14 LEU QD . . 8.100 3.830 3.830 3.830 . 0 0 "[ ]" 1
99 1 9 GLU H 1 15 LEU H . . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
100 1 9 GLU HA 1 10 VAL H . . 3.050 2.217 2.217 2.217 . 0 0 "[ ]" 1
101 1 9 GLU HA 1 14 LEU HA . . 2.930 2.799 2.799 2.799 . 0 0 "[ ]" 1
102 1 9 GLU HA 1 14 LEU QD . . 6.020 3.072 3.072 3.072 . 0 0 "[ ]" 1
103 1 9 GLU HA 1 15 LEU H . . 3.550 3.790 3.790 3.790 0.240 1 0 "[ ]" 1
104 1 9 GLU QB 1 10 VAL H . . 3.930 3.876 3.876 3.876 . 0 0 "[ ]" 1
105 1 9 GLU QB 1 14 LEU QD . . 8.350 4.100 4.100 4.100 . 0 0 "[ ]" 1
106 1 9 GLU QB 1 88 ARG H . . 6.380 3.985 3.985 3.985 . 0 0 "[ ]" 1
107 1 9 GLU QG 1 10 VAL H . . 5.010 3.357 3.357 3.357 . 0 0 "[ ]" 1
108 1 9 GLU QG 1 14 LEU HA . . 6.380 4.021 4.021 4.021 . 0 0 "[ ]" 1
109 1 9 GLU QG 1 14 LEU QD . . 6.990 3.576 3.576 3.576 . 0 0 "[ ]" 1
110 1 9 GLU QG 1 15 LEU H . . 6.380 5.285 5.285 5.285 . 0 0 "[ ]" 1
111 1 9 GLU QG 1 87 GLY HA2 . . 5.510 2.653 2.653 2.653 . 0 0 "[ ]" 1
112 1 9 GLU QG 1 87 GLY QA . . 5.210 2.498 2.498 2.498 . 0 0 "[ ]" 1
113 1 9 GLU QG 1 87 GLY HA3 . . 5.510 3.050 3.050 3.050 . 0 0 "[ ]" 1
114 1 9 GLU QG 1 88 ARG H . . 4.700 1.962 1.962 1.962 . 0 0 "[ ]" 1
115 1 9 GLU QG 1 88 ARG HB2 . . 5.570 1.974 1.974 1.974 . 0 0 "[ ]" 1
116 1 9 GLU QG 1 88 ARG QB . . 5.380 1.964 1.964 1.964 . 0 0 "[ ]" 1
117 1 9 GLU QG 1 88 ARG HB3 . . 5.570 3.507 3.507 3.507 . 0 0 "[ ]" 1
118 1 10 VAL H 1 10 VAL HB . . 2.490 2.724 2.724 2.724 0.234 1 0 "[ ]" 1
119 1 10 VAL H 1 11 GLY H . . 4.450 4.031 4.031 4.031 . 0 0 "[ ]" 1
120 1 10 VAL H 1 13 ASP H . . 3.550 4.085 4.085 4.085 0.535 1 1 [+] 1
121 1 10 VAL H 1 13 ASP O . . 2.000 2.084 2.084 2.084 0.084 1 0 "[ ]" 1
122 1 10 VAL H 1 14 LEU HA . . 3.110 2.332 2.332 2.332 . 0 0 "[ ]" 1
123 1 10 VAL H 1 14 LEU QB . . 4.830 3.565 3.565 3.565 . 0 0 "[ ]" 1
124 1 10 VAL H 1 14 LEU QD . . 6.730 3.949 3.949 3.949 . 0 0 "[ ]" 1
125 1 10 VAL H 1 15 LEU H . . 3.670 3.737 3.737 3.737 0.067 1 0 "[ ]" 1
126 1 10 VAL H 1 87 GLY QA . . 4.950 4.281 4.281 4.281 . 0 0 "[ ]" 1
127 1 10 VAL HA 1 10 VAL HB . . 2.710 3.021 3.021 3.021 0.311 1 0 "[ ]" 1
128 1 10 VAL HA 1 11 GLY H . . 2.490 2.204 2.204 2.204 . 0 0 "[ ]" 1
129 1 10 VAL HA 1 11 GLY QA . . 5.300 3.892 3.892 3.892 . 0 0 "[ ]" 1
130 1 10 VAL HB 1 11 GLY H . . 4.230 4.425 4.425 4.425 0.195 1 0 "[ ]" 1
131 1 10 VAL HB 1 13 ASP QB . . 5.640 3.301 3.301 3.301 . 0 0 "[ ]" 1
132 1 10 VAL HB 1 14 LEU HA . . 3.980 3.800 3.800 3.800 . 0 0 "[ ]" 1
133 1 10 VAL HB 1 15 LEU H . . 5.310 4.389 4.389 4.389 . 0 0 "[ ]" 1
134 1 10 VAL QG 1 11 GLY H . . 6.630 3.163 3.163 3.163 . 0 0 "[ ]" 1
135 1 10 VAL QG 1 11 GLY QA . . 7.620 3.543 3.543 3.543 . 0 0 "[ ]" 1
136 1 10 VAL QG 1 13 ASP H . . 5.890 4.332 4.332 4.332 . 0 0 "[ ]" 1
137 1 10 VAL QG 1 13 ASP HB2 . . 7.590 3.733 3.733 3.733 . 0 0 "[ ]" 1
138 1 10 VAL QG 1 13 ASP QB . . 7.250 3.600 3.600 3.600 . 0 0 "[ ]" 1
139 1 10 VAL QG 1 13 ASP HB3 . . 7.590 4.729 4.729 4.729 . 0 0 "[ ]" 1
140 1 10 VAL N 1 13 ASP O . . 3.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
141 1 10 VAL O 1 13 ASP H . . 2.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
142 1 10 VAL O 1 13 ASP N . . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
143 1 11 GLY H 1 11 GLY QA . . 2.400 2.154 2.154 2.154 . 0 0 "[ ]" 1
144 1 11 GLY QA 1 12 ASP H . . 2.400 2.234 2.234 2.234 . 0 0 "[ ]" 1
145 1 11 GLY QA 1 13 ASP H . . 3.190 2.980 2.980 2.980 . 0 0 "[ ]" 1
146 1 12 ASP H 1 12 ASP HB2 . . 2.860 2.018 2.018 2.018 . 0 0 "[ ]" 1
147 1 12 ASP H 1 12 ASP QB . . 2.600 1.997 1.997 1.997 . 0 0 "[ ]" 1
148 1 12 ASP H 1 12 ASP HB3 . . 2.860 3.195 3.195 3.195 0.335 1 0 "[ ]" 1
149 1 12 ASP H 1 13 ASP H . . 2.680 2.745 2.745 2.745 0.065 1 0 "[ ]" 1
150 1 12 ASP HA 1 12 ASP HB2 . . 2.550 2.884 2.884 2.884 0.334 1 0 "[ ]" 1
151 1 12 ASP HA 1 12 ASP HB3 . . 2.550 2.893 2.893 2.893 0.343 1 0 "[ ]" 1
152 1 12 ASP HA 1 13 ASP H . . 2.830 3.234 3.234 3.234 0.404 1 0 "[ ]" 1
153 1 12 ASP QB 1 13 ASP H . . 3.470 3.539 3.539 3.539 0.069 1 0 "[ ]" 1
154 1 12 ASP QB 1 85 GLY H . . 6.380 3.016 3.016 3.016 . 0 0 "[ ]" 1
155 1 12 ASP QB 1 85 GLY QA . . 4.450 2.444 2.444 2.444 . 0 0 "[ ]" 1
156 1 12 ASP HB2 1 13 ASP H . . 3.890 3.987 3.987 3.987 0.097 1 0 "[ ]" 1
157 1 12 ASP HB2 1 85 GLY QA . . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
158 1 12 ASP HB3 1 13 ASP H . . 3.890 3.958 3.958 3.958 0.068 1 0 "[ ]" 1
159 1 12 ASP HB3 1 85 GLY QA . . 5.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
160 1 13 ASP H 1 13 ASP HB2 . . 3.240 2.571 2.571 2.571 . 0 0 "[ ]" 1
161 1 13 ASP H 1 13 ASP QB . . 2.750 2.527 2.527 2.527 . 0 0 "[ ]" 1
162 1 13 ASP H 1 13 ASP HB3 . . 3.240 3.715 3.715 3.715 0.475 1 0 "[ ]" 1
163 1 13 ASP H 1 14 LEU H . . 3.700 4.480 4.480 4.480 0.780 1 1 [+] 1
164 1 13 ASP HA 1 13 ASP HB2 . . 3.020 3.055 3.055 3.055 0.035 1 0 "[ ]" 1
165 1 13 ASP HA 1 13 ASP HB3 . . 3.020 2.524 2.524 2.524 . 0 0 "[ ]" 1
166 1 13 ASP HA 1 14 LEU H . . 2.710 2.537 2.537 2.537 . 0 0 "[ ]" 1
167 1 13 ASP HA 1 84 GLN HA . . 3.080 2.415 2.415 2.415 . 0 0 "[ ]" 1
168 1 13 ASP HA 1 85 GLY H . . 2.710 2.209 2.209 2.209 . 0 0 "[ ]" 1
169 1 13 ASP HA 1 85 GLY QA . . 4.190 3.745 3.745 3.745 . 0 0 "[ ]" 1
170 1 13 ASP HA 1 86 MET H . . 2.650 2.429 2.429 2.429 . 0 0 "[ ]" 1
171 1 13 ASP QB 1 14 LEU H . . 3.230 2.388 2.388 2.388 . 0 0 "[ ]" 1
172 1 13 ASP QB 1 82 ARG QG . . 5.270 3.015 3.015 3.015 . 0 0 "[ ]" 1
173 1 13 ASP QB 1 83 ILE H . . 6.290 4.258 4.258 4.258 . 0 0 "[ ]" 1
174 1 13 ASP QB 1 84 GLN HA . . 4.620 2.463 2.463 2.463 . 0 0 "[ ]" 1
175 1 13 ASP HB2 1 14 LEU H . . 3.420 3.587 3.587 3.587 0.167 1 0 "[ ]" 1
176 1 13 ASP HB2 1 82 ARG QD . . 6.380 4.896 4.896 4.896 . 0 0 "[ ]" 1
177 1 13 ASP HB2 1 82 ARG HG2 . . 6.260 4.989 4.989 4.989 . 0 0 "[ ]" 1
178 1 13 ASP HB2 1 82 ARG HG3 . . 6.260 4.418 4.418 4.418 . 0 0 "[ ]" 1
179 1 13 ASP HB2 1 84 GLN HA . . 5.220 3.774 3.774 3.774 . 0 0 "[ ]" 1
180 1 13 ASP HB2 1 85 GLY H . . 4.380 4.372 4.372 4.372 . 0 0 "[ ]" 1
181 1 13 ASP HB3 1 14 LEU H . . 3.420 2.424 2.424 2.424 . 0 0 "[ ]" 1
182 1 13 ASP HB3 1 82 ARG QD . . 6.380 4.161 4.161 4.161 . 0 0 "[ ]" 1
183 1 13 ASP HB3 1 82 ARG HG2 . . 6.260 3.590 3.590 3.590 . 0 0 "[ ]" 1
184 1 13 ASP HB3 1 82 ARG HG3 . . 6.260 3.386 3.386 3.386 . 0 0 "[ ]" 1
185 1 13 ASP HB3 1 84 GLN HA . . 5.220 2.496 2.496 2.496 . 0 0 "[ ]" 1
186 1 13 ASP HB3 1 85 GLY H . . 4.380 3.872 3.872 3.872 . 0 0 "[ ]" 1
187 1 14 LEU H 1 14 LEU HG . . 4.070 4.636 4.636 4.636 0.566 1 1 [+] 1
188 1 14 LEU H 1 15 LEU H . . 5.500 4.340 4.340 4.340 . 0 0 "[ ]" 1
189 1 14 LEU H 1 82 ARG QD . . 6.380 5.626 5.626 5.626 . 0 0 "[ ]" 1
190 1 14 LEU H 1 83 ILE H . . 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 1
191 1 14 LEU H 1 83 ILE HB . . 4.720 2.998 2.998 2.998 . 0 0 "[ ]" 1
192 1 14 LEU H 1 83 ILE O . . 2.000 1.492 1.492 1.492 . 0 0 "[ ]" 1
193 1 14 LEU H 1 84 GLN HA . . 3.830 3.374 3.374 3.374 . 0 0 "[ ]" 1
194 1 14 LEU H 1 85 GLY H . . 3.950 4.472 4.472 4.472 0.522 1 1 [+] 1
195 1 14 LEU H 1 86 MET H . . 3.480 3.582 3.582 3.582 0.102 1 0 "[ ]" 1
196 1 14 LEU H 1 86 MET QG . . 6.380 3.605 3.605 3.605 . 0 0 "[ ]" 1
197 1 14 LEU HA 1 14 LEU QD . . 4.110 2.510 2.510 2.510 . 0 0 "[ ]" 1
198 1 14 LEU HA 1 15 LEU H . . 2.520 2.252 2.252 2.252 . 0 0 "[ ]" 1
199 1 14 LEU QB 1 15 LEU H . . 5.320 3.512 3.512 3.512 . 0 0 "[ ]" 1
200 1 14 LEU QB 1 83 ILE HB . . 4.330 2.932 2.932 2.932 . 0 0 "[ ]" 1
201 1 14 LEU QB 1 86 MET HG2 . . 6.380 1.859 1.859 1.859 . 0 0 "[ ]" 1
202 1 14 LEU QB 1 86 MET HG3 . . 6.380 2.778 2.778 2.778 . 0 0 "[ ]" 1
203 1 14 LEU QD 1 15 LEU H . . 5.050 1.868 1.868 1.868 . 0 0 "[ ]" 1
204 1 14 LEU QD 1 16 VAL QG . . 8.830 1.506 1.506 1.506 . 0 0 "[ ]" 1
205 1 14 LEU QD 1 83 ILE MG . . 7.510 3.182 3.182 3.182 . 0 0 "[ ]" 1
206 1 14 LEU QD 1 87 GLY QA . . 7.860 3.534 3.534 3.534 . 0 0 "[ ]" 1
207 1 14 LEU QD 1 88 ARG H . . 6.390 3.917 3.917 3.917 . 0 0 "[ ]" 1
208 1 14 LEU QD 1 88 ARG HA . . 5.930 2.468 2.468 2.468 . 0 0 "[ ]" 1
209 1 14 LEU QD 1 88 ARG QB . . 6.440 3.592 3.592 3.592 . 0 0 "[ ]" 1
210 1 14 LEU QD 1 89 ASP H . . 8.100 5.377 5.377 5.377 . 0 0 "[ ]" 1
211 1 14 LEU QD 1 91 PHE H . . 8.100 4.160 4.160 4.160 . 0 0 "[ ]" 1
212 1 14 LEU MD1 1 15 LEU H . . 5.810 2.994 2.994 2.994 . 0 0 "[ ]" 1
213 1 14 LEU MD2 1 15 LEU H . . 5.810 1.887 1.887 1.887 . 0 0 "[ ]" 1
214 1 14 LEU HG 1 15 LEU H . . 4.630 4.527 4.527 4.527 . 0 0 "[ ]" 1
215 1 14 LEU HG 1 83 ILE HB . . 3.420 3.779 3.779 3.779 0.359 1 0 "[ ]" 1
216 1 14 LEU HG 1 83 ILE MD . . 5.100 4.058 4.058 4.058 . 0 0 "[ ]" 1
217 1 14 LEU HG 1 83 ILE MG . . 6.120 4.600 4.600 4.600 . 0 0 "[ ]" 1
218 1 14 LEU HG 1 86 MET ME . . 6.530 4.693 4.693 4.693 . 0 0 "[ ]" 1
219 1 14 LEU HG 1 86 MET HG2 . . 4.910 2.589 2.589 2.589 . 0 0 "[ ]" 1
220 1 14 LEU HG 1 86 MET QG . . 4.420 2.492 2.492 2.492 . 0 0 "[ ]" 1
221 1 14 LEU HG 1 86 MET HG3 . . 4.910 3.249 3.249 3.249 . 0 0 "[ ]" 1
222 1 14 LEU HG 1 87 GLY H . . 5.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
223 1 14 LEU HG 1 88 ARG H . . 5.500 4.653 4.653 4.653 . 0 0 "[ ]" 1
224 1 14 LEU HG 1 88 ARG HA . . 3.420 3.168 3.168 3.168 . 0 0 "[ ]" 1
225 1 14 LEU HG 1 91 PHE H . . 3.670 3.751 3.751 3.751 0.081 1 0 "[ ]" 1
226 1 14 LEU HG 1 91 PHE HA . . 5.500 5.238 5.238 5.238 . 0 0 "[ ]" 1
227 1 14 LEU HG 1 91 PHE QB . . 4.330 2.758 2.758 2.758 . 0 0 "[ ]" 1
228 1 14 LEU HG 1 91 PHE QD . . 6.720 4.058 4.058 4.058 . 0 0 "[ ]" 1
229 1 14 LEU HG 1 92 LEU H . . 5.500 5.614 5.614 5.614 0.114 1 0 "[ ]" 1
230 1 14 LEU N 1 83 ILE O . . 3.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
231 1 14 LEU O 1 83 ILE H . . 2.000 1.465 1.465 1.465 . 0 0 "[ ]" 1
232 1 14 LEU O 1 83 ILE N . . 3.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
233 1 15 LEU H 1 15 LEU QB . . 2.760 2.311 2.311 2.311 . 0 0 "[ ]" 1
234 1 15 LEU H 1 15 LEU QD . . 5.170 3.325 3.325 3.325 . 0 0 "[ ]" 1
235 1 15 LEU H 1 15 LEU HG . . 3.270 3.633 3.633 3.633 0.363 1 0 "[ ]" 1
236 1 15 LEU H 1 16 VAL H . . 4.110 4.464 4.464 4.464 0.354 1 0 "[ ]" 1
237 1 15 LEU H 1 82 ARG QG . . 6.380 4.847 4.847 4.847 . 0 0 "[ ]" 1
238 1 15 LEU HA 1 15 LEU HG . . 3.980 2.303 2.303 2.303 . 0 0 "[ ]" 1
239 1 15 LEU HA 1 16 VAL H . . 2.710 2.222 2.222 2.222 . 0 0 "[ ]" 1
240 1 15 LEU HA 1 83 ILE H . . 2.400 2.871 2.871 2.871 0.471 1 0 "[ ]" 1
241 1 15 LEU QB 1 16 VAL H . . 3.810 3.194 3.194 3.194 . 0 0 "[ ]" 1
242 1 15 LEU QD 1 16 VAL H . . 8.100 3.266 3.266 3.266 . 0 0 "[ ]" 1
243 1 15 LEU QD 1 82 ARG QD . . 8.970 2.969 2.969 2.969 . 0 0 "[ ]" 1
244 1 16 VAL H 1 16 VAL HB . . 3.080 3.083 3.083 3.083 0.003 1 0 "[ ]" 1
245 1 16 VAL H 1 16 VAL MG1 . . 4.790 3.912 3.912 3.912 . 0 0 "[ ]" 1
246 1 16 VAL H 1 16 VAL MG2 . . 4.790 2.139 2.139 2.139 . 0 0 "[ ]" 1
247 1 16 VAL H 1 17 ASN H . . 4.170 4.403 4.403 4.403 0.233 1 0 "[ ]" 1
248 1 16 VAL H 1 81 ILE H . . 3.210 3.439 3.439 3.439 0.229 1 0 "[ ]" 1
249 1 16 VAL H 1 81 ILE HB . . 5.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
250 1 16 VAL H 1 81 ILE QG . . 5.570 2.782 2.782 2.782 . 0 0 "[ ]" 1
251 1 16 VAL H 1 81 ILE O . . 2.000 1.727 1.727 1.727 . 0 0 "[ ]" 1
252 1 16 VAL H 1 82 ARG HA . . 2.490 3.000 3.000 3.000 0.510 1 1 [+] 1
253 1 16 VAL HB 1 17 ASN H . . 3.610 3.573 3.573 3.573 . 0 0 "[ ]" 1
254 1 16 VAL HB 1 81 ILE H . . 5.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
255 1 16 VAL HB 1 81 ILE MD . . 5.570 2.451 2.451 2.451 . 0 0 "[ ]" 1
256 1 16 VAL QG 1 17 ASN H . . 4.570 2.621 2.621 2.621 . 0 0 "[ ]" 1
257 1 16 VAL QG 1 81 ILE H . . 8.090 3.996 3.996 3.996 . 0 0 "[ ]" 1
258 1 16 VAL QG 1 81 ILE MD . . 9.120 2.592 2.592 2.592 . 0 0 "[ ]" 1
259 1 16 VAL QG 1 83 ILE H . . 8.090 3.311 3.311 3.311 . 0 0 "[ ]" 1
260 1 16 VAL QG 1 83 ILE MD . . 7.470 2.665 2.665 2.665 . 0 0 "[ ]" 1
261 1 16 VAL QG 1 83 ILE QG . . 8.960 2.233 2.233 2.233 . 0 0 "[ ]" 1
262 1 16 VAL QG 1 91 PHE QD . . 8.290 2.215 2.215 2.215 . 0 0 "[ ]" 1
263 1 16 VAL MG1 1 17 ASN H . . 5.410 2.643 2.643 2.643 . 0 0 "[ ]" 1
264 1 16 VAL MG1 1 91 PHE QD . . 8.650 3.114 3.114 3.114 . 0 0 "[ ]" 1
265 1 16 VAL MG2 1 17 ASN H . . 5.410 4.339 4.339 4.339 . 0 0 "[ ]" 1
266 1 16 VAL MG2 1 91 PHE QD . . 8.650 2.266 2.266 2.266 . 0 0 "[ ]" 1
267 1 16 VAL N 1 81 ILE O . . 3.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
268 1 16 VAL O 1 81 ILE H . . 2.000 1.761 1.761 1.761 . 0 0 "[ ]" 1
269 1 16 VAL O 1 81 ILE N . . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
270 1 17 ASN H 1 17 ASN HB2 . . 3.270 2.172 2.172 2.172 . 0 0 "[ ]" 1
271 1 17 ASN H 1 17 ASN HB3 . . 3.270 3.312 3.312 3.312 0.042 1 0 "[ ]" 1
272 1 17 ASN HA 1 18 ILE H . . 2.620 2.254 2.254 2.254 . 0 0 "[ ]" 1
273 1 17 ASN HA 1 18 ILE MG . . 5.720 3.666 3.666 3.666 . 0 0 "[ ]" 1
274 1 17 ASN HA 1 80 THR HA . . 3.170 2.042 2.042 2.042 . 0 0 "[ ]" 1
275 1 17 ASN HA 1 80 THR MG . . 5.350 3.088 3.088 3.088 . 0 0 "[ ]" 1
276 1 17 ASN HA 1 81 ILE H . . 3.700 3.143 3.143 3.143 . 0 0 "[ ]" 1
277 1 17 ASN QB 1 33 ASN HA . . 5.600 5.913 5.913 5.913 0.313 1 0 "[ ]" 1
278 1 17 ASN QB 1 38 ARG HA . . 6.380 4.542 4.542 4.542 . 0 0 "[ ]" 1
279 1 18 ILE H 1 18 ILE HB . . 4.070 3.995 3.995 3.995 . 0 0 "[ ]" 1
280 1 18 ILE H 1 18 ILE HG12 . . 3.450 3.484 3.484 3.484 0.034 1 0 "[ ]" 1
281 1 18 ILE H 1 18 ILE QG . . 3.210 2.625 2.625 2.625 . 0 0 "[ ]" 1
282 1 18 ILE H 1 18 ILE HG13 . . 3.450 2.715 2.715 2.715 . 0 0 "[ ]" 1
283 1 18 ILE H 1 18 ILE MG . . 4.760 3.078 3.078 3.078 . 0 0 "[ ]" 1
284 1 18 ILE H 1 79 LYS H . . 4.200 4.081 4.081 4.081 . 0 0 "[ ]" 1
285 1 18 ILE H 1 79 LYS O . . 2.000 2.348 2.348 2.348 0.348 1 0 "[ ]" 1
286 1 18 ILE H 1 80 THR HA . . 3.390 2.328 2.328 2.328 . 0 0 "[ ]" 1
287 1 18 ILE HA 1 19 GLU H . . 3.080 2.724 2.724 2.724 . 0 0 "[ ]" 1
288 1 18 ILE HA 1 39 ILE H . . 3.390 2.080 2.080 2.080 . 0 0 "[ ]" 1
289 1 18 ILE HA 1 39 ILE HB . . 5.340 2.513 2.513 2.513 . 0 0 "[ ]" 1
290 1 18 ILE HB 1 19 GLU H . . 3.020 2.144 2.144 2.144 . 0 0 "[ ]" 1
291 1 18 ILE HB 1 39 ILE HB . . 4.320 3.221 3.221 3.221 . 0 0 "[ ]" 1
292 1 18 ILE HB 1 81 ILE H . . 5.500 5.593 5.593 5.593 0.093 1 0 "[ ]" 1
293 1 18 ILE MD 1 19 GLU H . . 6.030 2.494 2.494 2.494 . 0 0 "[ ]" 1
294 1 18 ILE MD 1 41 VAL H . . 5.440 4.226 4.226 4.226 . 0 0 "[ ]" 1
295 1 18 ILE MD 1 41 VAL HA . . 6.530 4.528 4.528 4.528 . 0 0 "[ ]" 1
296 1 18 ILE MD 1 41 VAL HB . . 5.100 2.936 2.936 2.936 . 0 0 "[ ]" 1
297 1 18 ILE MD 1 81 ILE MD . . 7.560 1.937 1.937 1.937 . 0 0 "[ ]" 1
298 1 18 ILE QG 1 19 GLU H . . 4.840 3.187 3.187 3.187 . 0 0 "[ ]" 1
299 1 18 ILE QG 1 19 GLU HA . . 5.950 4.157 4.157 4.157 . 0 0 "[ ]" 1
300 1 18 ILE HG12 1 19 GLU H . . 5.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
301 1 18 ILE HG13 1 19 GLU H . . 5.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
302 1 18 ILE MG 1 19 GLU H . . 5.440 3.751 3.751 3.751 . 0 0 "[ ]" 1
303 1 18 ILE MG 1 38 ARG QD . . 6.130 4.702 4.702 4.702 . 0 0 "[ ]" 1
304 1 18 ILE MG 1 39 ILE H . . 5.880 3.505 3.505 3.505 . 0 0 "[ ]" 1
305 1 18 ILE MG 1 39 ILE HA . . 6.530 4.374 4.374 4.374 . 0 0 "[ ]" 1
306 1 18 ILE MG 1 39 ILE HB . . 3.800 1.934 1.934 1.934 . 0 0 "[ ]" 1
307 1 18 ILE MG 1 39 ILE MD . . 5.320 3.065 3.065 3.065 . 0 0 "[ ]" 1
308 1 18 ILE MG 1 39 ILE QG . . 4.370 2.868 2.868 2.868 . 0 0 "[ ]" 1
309 1 18 ILE MG 1 41 VAL HB . . 6.340 5.311 5.311 5.311 . 0 0 "[ ]" 1
310 1 18 ILE MG 1 81 ILE MD . . 7.560 2.888 2.888 2.888 . 0 0 "[ ]" 1
311 1 18 ILE N 1 79 LYS O . . 3.000 3.129 3.129 3.129 0.129 1 0 "[ ]" 1
312 1 18 ILE O 1 79 LYS H . . 2.000 2.455 2.455 2.455 0.455 1 0 "[ ]" 1
313 1 18 ILE O 1 79 LYS N . . 3.000 3.360 3.360 3.360 0.360 1 0 "[ ]" 1
314 1 19 GLU H 1 19 GLU QG . . 3.620 3.105 3.105 3.105 . 0 0 "[ ]" 1
315 1 19 GLU H 1 20 VAL H . . 4.690 4.597 4.597 4.597 . 0 0 "[ ]" 1
316 1 19 GLU H 1 39 ILE H . . 4.230 3.281 3.281 3.281 . 0 0 "[ ]" 1
317 1 19 GLU H 1 40 GLU HA . . 3.860 4.737 4.737 4.737 0.877 1 1 [+] 1
318 1 19 GLU H 1 41 VAL H . . 3.980 4.440 4.440 4.440 0.460 1 0 "[ ]" 1
319 1 19 GLU HA 1 19 GLU QG . . 3.440 3.099 3.099 3.099 . 0 0 "[ ]" 1
320 1 19 GLU HA 1 20 VAL H . . 2.590 2.491 2.491 2.491 . 0 0 "[ ]" 1
321 1 19 GLU HA 1 78 GLN HA . . 2.900 3.077 3.077 3.077 0.177 1 0 "[ ]" 1
322 1 19 GLU HA 1 79 LYS H . . 3.520 2.893 2.893 2.893 . 0 0 "[ ]" 1
323 1 19 GLU QB 1 20 VAL H . . 3.670 2.969 2.969 2.969 . 0 0 "[ ]" 1
324 1 19 GLU QB 1 38 ARG QD . . 4.880 2.276 2.276 2.276 . 0 0 "[ ]" 1
325 1 19 GLU HB2 1 20 VAL H . . 4.290 3.048 3.048 3.048 . 0 0 "[ ]" 1
326 1 19 GLU HB2 1 38 ARG QD . . 5.230 2.654 2.654 2.654 . 0 0 "[ ]" 1
327 1 19 GLU HB3 1 20 VAL H . . 4.290 4.094 4.094 4.094 . 0 0 "[ ]" 1
328 1 19 GLU HB3 1 38 ARG QD . . 5.230 2.477 2.477 2.477 . 0 0 "[ ]" 1
329 1 19 GLU QG 1 41 VAL H . . 6.380 3.816 3.816 3.816 . 0 0 "[ ]" 1
330 1 19 GLU HG2 1 20 VAL H . . 5.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
331 1 19 GLU HG3 1 20 VAL H . . 5.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
332 1 20 VAL H 1 20 VAL HB . . 2.710 2.542 2.542 2.542 . 0 0 "[ ]" 1
333 1 20 VAL H 1 77 ARG HA . . 4.010 4.197 4.197 4.197 0.187 1 0 "[ ]" 1
334 1 20 VAL H 1 77 ARG QG . . 5.510 3.992 3.992 3.992 . 0 0 "[ ]" 1
335 1 20 VAL HA 1 20 VAL HB . . 2.680 2.406 2.406 2.406 . 0 0 "[ ]" 1
336 1 20 VAL QG 1 47 PRO HA . . 6.790 5.240 5.240 5.240 . 0 0 "[ ]" 1
337 1 21 SER QB 1 22 PRO QD . . 5.070 2.644 2.644 2.644 . 0 0 "[ ]" 1
338 1 21 SER QB 1 43 ILE MD . . 5.660 1.660 1.660 1.660 . 0 0 "[ ]" 1
339 1 21 SER QB 1 43 ILE QG . . 6.260 1.701 1.701 1.701 . 0 0 "[ ]" 1
340 1 21 SER QB 1 52 ALA HA . . 4.020 4.155 4.155 4.155 0.135 1 0 "[ ]" 1
341 1 21 SER HB2 1 22 PRO HD2 . . 6.720 2.799 2.799 2.799 . 0 0 "[ ]" 1
342 1 21 SER HB2 1 22 PRO HD3 . . 6.720 3.732 3.732 3.732 . 0 0 "[ ]" 1
343 1 21 SER HB2 1 43 ILE MD . . 5.880 1.827 1.827 1.827 . 0 0 "[ ]" 1
344 1 21 SER HB2 1 43 ILE HG12 . . 7.250 1.716 1.716 1.716 . 0 0 "[ ]" 1
345 1 21 SER HB2 1 43 ILE HG13 . . 7.250 3.145 3.145 3.145 . 0 0 "[ ]" 1
346 1 21 SER HB2 1 52 ALA HA . . 4.350 4.746 4.746 4.746 0.396 1 0 "[ ]" 1
347 1 21 SER HB2 1 52 ALA MB . . 4.820 3.026 3.026 3.026 . 0 0 "[ ]" 1
348 1 21 SER HB3 1 22 PRO HD2 . . 6.720 3.873 3.873 3.873 . 0 0 "[ ]" 1
349 1 21 SER HB3 1 22 PRO HD3 . . 6.720 4.214 4.214 4.214 . 0 0 "[ ]" 1
350 1 21 SER HB3 1 43 ILE MD . . 5.880 1.905 1.905 1.905 . 0 0 "[ ]" 1
351 1 21 SER HB3 1 43 ILE HG12 . . 7.250 3.189 3.189 3.189 . 0 0 "[ ]" 1
352 1 21 SER HB3 1 43 ILE HG13 . . 7.250 4.091 4.091 4.091 . 0 0 "[ ]" 1
353 1 21 SER HB3 1 52 ALA HA . . 4.350 4.590 4.590 4.590 0.240 1 0 "[ ]" 1
354 1 21 SER HB3 1 52 ALA MB . . 4.820 2.269 2.269 2.269 . 0 0 "[ ]" 1
355 1 22 PRO QB 1 58 LYS H . . 6.380 4.418 4.418 4.418 . 0 0 "[ ]" 1
356 1 22 PRO QB 1 66 ARG QD . . 6.320 6.209 6.209 6.209 . 0 0 "[ ]" 1
357 1 22 PRO QD 1 51 LYS QD . . 7.260 5.260 5.260 5.260 . 0 0 "[ ]" 1
358 1 22 PRO QD 1 52 ALA MB . . 6.100 2.681 2.681 2.681 . 0 0 "[ ]" 1
359 1 22 PRO HD2 1 52 ALA MB . . 6.530 3.188 3.188 3.188 . 0 0 "[ ]" 1
360 1 22 PRO HD3 1 52 ALA MB . . 6.530 2.883 2.883 2.883 . 0 0 "[ ]" 1
361 1 23 ALA H 1 23 ALA MB . . 3.640 2.911 2.911 2.911 . 0 0 "[ ]" 1
362 1 23 ALA H 1 43 ILE HB . . 4.260 4.641 4.641 4.641 0.381 1 0 "[ ]" 1
363 1 23 ALA HA 1 24 SER H . . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
364 1 23 ALA MB 1 42 LYS QE . . 4.920 3.360 3.360 3.360 . 0 0 "[ ]" 1
365 1 24 SER HA 1 24 SER HB2 . . 3.020 2.261 2.261 2.261 . 0 0 "[ ]" 1
366 1 24 SER HA 1 24 SER QB . . 2.720 2.187 2.187 2.187 . 0 0 "[ ]" 1
367 1 24 SER HA 1 24 SER HB3 . . 3.020 2.908 2.908 2.908 . 0 0 "[ ]" 1
368 1 24 SER HA 1 25 GLY H . . 3.300 2.809 2.809 2.809 . 0 0 "[ ]" 1
369 1 24 SER HA 1 42 LYS HG2 . . 5.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
370 1 24 SER HA 1 42 LYS QG . . 5.370 4.025 4.025 4.025 . 0 0 "[ ]" 1
371 1 24 SER HA 1 42 LYS HG3 . . 5.500 5.589 5.589 5.589 0.089 1 0 "[ ]" 1
372 1 24 SER QB 1 42 LYS QG . . 6.350 1.914 1.914 1.914 . 0 0 "[ ]" 1
373 1 24 SER QB 1 43 ILE H . . 6.040 2.943 2.943 2.943 . 0 0 "[ ]" 1
374 1 25 GLY QA 1 42 LYS QE . . 5.090 3.732 3.732 3.732 . 0 0 "[ ]" 1
375 1 25 GLY HA2 1 26 LYS H . . 3.080 2.209 2.209 2.209 . 0 0 "[ ]" 1
376 1 25 GLY HA2 1 26 LYS QB . . 5.380 4.213 4.213 4.213 . 0 0 "[ ]" 1
377 1 25 GLY HA2 1 42 LYS QD . . 6.380 5.506 5.506 5.506 . 0 0 "[ ]" 1
378 1 25 GLY HA2 1 42 LYS QE . . 5.320 4.441 4.441 4.441 . 0 0 "[ ]" 1
379 1 25 GLY HA3 1 26 LYS H . . 3.080 3.393 3.393 3.393 0.313 1 0 "[ ]" 1
380 1 25 GLY HA3 1 26 LYS QB . . 5.380 3.924 3.924 3.924 . 0 0 "[ ]" 1
381 1 25 GLY HA3 1 42 LYS QD . . 6.380 4.432 4.432 4.432 . 0 0 "[ ]" 1
382 1 25 GLY HA3 1 42 LYS QE . . 5.320 4.011 4.011 4.011 . 0 0 "[ ]" 1
383 1 26 LYS H 1 26 LYS HA . . 2.590 2.210 2.210 2.210 . 0 0 "[ ]" 1
384 1 26 LYS H 1 26 LYS QB . . 3.870 3.243 3.243 3.243 . 0 0 "[ ]" 1
385 1 26 LYS H 1 26 LYS QG . . 4.580 2.919 2.919 2.919 . 0 0 "[ ]" 1
386 1 26 LYS H 1 27 PHE H . . 4.320 3.530 3.530 3.530 . 0 0 "[ ]" 1
387 1 26 LYS H 1 42 LYS QE . . 6.380 4.396 4.396 4.396 . 0 0 "[ ]" 1
388 1 26 LYS HA 1 27 PHE H . . 2.430 2.194 2.194 2.194 . 0 0 "[ ]" 1
389 1 26 LYS HA 1 27 PHE HB2 . . 5.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
390 1 26 LYS HA 1 27 PHE QB . . 5.100 3.904 3.904 3.904 . 0 0 "[ ]" 1
391 1 26 LYS HA 1 27 PHE HB3 . . 5.500 4.162 4.162 4.162 . 0 0 "[ ]" 1
392 1 26 LYS QB 1 27 PHE H . . 4.080 3.704 3.704 3.704 . 0 0 "[ ]" 1
393 1 26 LYS QG 1 27 PHE H . . 4.520 3.999 3.999 3.999 . 0 0 "[ ]" 1
394 1 27 PHE H 1 27 PHE HB2 . . 2.770 2.534 2.534 2.534 . 0 0 "[ ]" 1
395 1 27 PHE H 1 27 PHE HB3 . . 2.770 2.268 2.268 2.268 . 0 0 "[ ]" 1
396 1 27 PHE H 1 28 GLY H . . 3.860 4.367 4.367 4.367 0.507 1 1 [+] 1
397 1 27 PHE HA 1 28 GLY H . . 2.620 2.218 2.218 2.218 . 0 0 "[ ]" 1
398 1 27 PHE HA 1 43 ILE MG . . 6.530 5.623 5.623 5.623 . 0 0 "[ ]" 1
399 1 27 PHE QB 1 94 LEU QD . . 8.510 2.159 2.159 2.159 . 0 0 "[ ]" 1
400 1 27 PHE QD 1 28 GLY H . . 6.970 3.666 3.666 3.666 . 0 0 "[ ]" 1
401 1 27 PHE QD 1 28 GLY HA2 . . 7.620 4.572 4.572 4.572 . 0 0 "[ ]" 1
402 1 27 PHE QD 1 28 GLY HA3 . . 7.620 5.340 5.340 5.340 . 0 0 "[ ]" 1
403 1 27 PHE QD 1 29 ILE H . . 7.620 4.155 4.155 4.155 . 0 0 "[ ]" 1
404 1 27 PHE QD 1 29 ILE MD . . 8.650 2.688 2.688 2.688 . 0 0 "[ ]" 1
405 1 27 PHE QD 1 95 VAL HA . . 5.980 3.062 3.062 3.062 . 0 0 "[ ]" 1
406 1 27 PHE QD 1 95 VAL QG . . 10.210 3.553 3.553 3.553 . 0 0 "[ ]" 1
407 1 27 PHE QD 1 98 LYS H . . 7.620 3.456 3.456 3.456 . 0 0 "[ ]" 1
408 1 27 PHE QD 1 98 LYS QB . . 8.500 1.991 1.991 1.991 . 0 0 "[ ]" 1
409 1 27 PHE QD 1 99 PHE H . . 7.620 3.528 3.528 3.528 . 0 0 "[ ]" 1
410 1 27 PHE QD 1 99 PHE QB . . 6.950 4.090 4.090 4.090 . 0 0 "[ ]" 1
411 1 27 PHE QD 1 100 GLY H . . 7.620 5.828 5.828 5.828 . 0 0 "[ ]" 1
412 1 28 GLY H 1 42 LYS H . . 3.330 3.834 3.834 3.834 0.504 1 1 [+] 1
413 1 28 GLY H 1 42 LYS HB2 . . 4.600 5.098 5.098 5.098 0.498 1 0 "[ ]" 1
414 1 28 GLY H 1 42 LYS QB . . 4.320 3.312 3.312 3.312 . 0 0 "[ ]" 1
415 1 28 GLY H 1 42 LYS HB3 . . 4.600 3.356 3.356 3.356 . 0 0 "[ ]" 1
416 1 28 GLY H 1 63 THR HB . . 5.310 6.041 6.041 6.041 0.731 1 1 [+] 1
417 1 28 GLY HA2 1 29 ILE H . . 3.050 2.308 2.308 2.308 . 0 0 "[ ]" 1
418 1 28 GLY HA2 1 99 PHE QE . . 7.620 2.198 2.198 2.198 . 0 0 "[ ]" 1
419 1 28 GLY HA3 1 29 ILE H . . 3.050 3.539 3.539 3.539 0.489 1 0 "[ ]" 1
420 1 28 GLY HA3 1 99 PHE QE . . 7.620 2.830 2.830 2.830 . 0 0 "[ ]" 1
421 1 29 ILE H 1 29 ILE MD . . 5.720 4.437 4.437 4.437 . 0 0 "[ ]" 1
422 1 29 ILE H 1 94 LEU QD . . 7.630 5.711 5.711 5.711 . 0 0 "[ ]" 1
423 1 29 ILE H 1 99 PHE QE . . 7.620 2.369 2.369 2.369 . 0 0 "[ ]" 1
424 1 29 ILE HA 1 30 PRO HD2 . . 3.330 2.178 2.178 2.178 . 0 0 "[ ]" 1
425 1 29 ILE HA 1 30 PRO QD . . 3.090 1.945 1.945 1.945 . 0 0 "[ ]" 1
426 1 29 ILE HA 1 30 PRO HD3 . . 3.330 2.189 2.189 2.189 . 0 0 "[ ]" 1
427 1 29 ILE MD 1 39 ILE MG . . 7.560 4.383 4.383 4.383 . 0 0 "[ ]" 1
428 1 29 ILE MD 1 60 PHE H . . 6.220 5.176 5.176 5.176 . 0 0 "[ ]" 1
429 1 29 ILE MD 1 63 THR MG . . 6.040 3.495 3.495 3.495 . 0 0 "[ ]" 1
430 1 29 ILE MD 1 99 PHE QE . . 8.620 5.733 5.733 5.733 . 0 0 "[ ]" 1
431 1 29 ILE MG 1 30 PRO HD2 . . 6.530 3.042 3.042 3.042 . 0 0 "[ ]" 1
432 1 29 ILE MG 1 30 PRO QD . . 6.100 2.941 2.941 2.941 . 0 0 "[ ]" 1
433 1 29 ILE MG 1 30 PRO HD3 . . 6.530 3.906 3.906 3.906 . 0 0 "[ ]" 1
434 1 29 ILE MG 1 99 PHE QE . . 8.650 4.873 4.873 4.873 . 0 0 "[ ]" 1
435 1 30 PRO HA 1 99 PHE QE . . 7.620 3.665 3.665 3.665 . 0 0 "[ ]" 1
436 1 30 PRO QD 1 40 GLU QB . . 5.820 3.996 3.996 3.996 . 0 0 "[ ]" 1
437 1 30 PRO QD 1 42 LYS H . . 4.930 4.242 4.242 4.242 . 0 0 "[ ]" 1
438 1 30 PRO QD 1 42 LYS QB . . 5.720 4.565 4.565 4.565 . 0 0 "[ ]" 1
439 1 30 PRO HD2 1 40 GLU HB2 . . 7.250 4.472 4.472 4.472 . 0 0 "[ ]" 1
440 1 30 PRO HD2 1 40 GLU HB3 . . 7.250 5.760 5.760 5.760 . 0 0 "[ ]" 1
441 1 30 PRO HD2 1 41 VAL QG . . 7.620 2.950 2.950 2.950 . 0 0 "[ ]" 1
442 1 30 PRO HD2 1 42 LYS H . . 5.220 5.069 5.069 5.069 . 0 0 "[ ]" 1
443 1 30 PRO HD2 1 42 LYS HB2 . . 6.850 6.646 6.646 6.646 . 0 0 "[ ]" 1
444 1 30 PRO HD2 1 42 LYS HB3 . . 6.850 6.350 6.350 6.350 . 0 0 "[ ]" 1
445 1 30 PRO HD2 1 99 PHE QE . . 7.620 3.938 3.938 3.938 . 0 0 "[ ]" 1
446 1 30 PRO HD3 1 40 GLU HB2 . . 7.250 4.853 4.853 4.853 . 0 0 "[ ]" 1
447 1 30 PRO HD3 1 40 GLU HB3 . . 7.250 6.257 6.257 6.257 . 0 0 "[ ]" 1
448 1 30 PRO HD3 1 41 VAL QG . . 7.620 3.603 3.603 3.603 . 0 0 "[ ]" 1
449 1 30 PRO HD3 1 42 LYS H . . 5.220 4.550 4.550 4.550 . 0 0 "[ ]" 1
450 1 30 PRO HD3 1 42 LYS HB2 . . 6.850 5.553 5.553 5.553 . 0 0 "[ ]" 1
451 1 30 PRO HD3 1 42 LYS HB3 . . 6.850 5.219 5.219 5.219 . 0 0 "[ ]" 1
452 1 30 PRO HD3 1 99 PHE QE . . 7.620 2.343 2.343 2.343 . 0 0 "[ ]" 1
453 1 31 SER QB 1 32 TYR H . . 3.900 2.789 2.789 2.789 . 0 0 "[ ]" 1
454 1 31 SER QB 1 101 LEU QD . . 8.980 5.231 5.231 5.231 . 0 0 "[ ]" 1
455 1 32 TYR H 1 32 TYR HB2 . . 3.700 3.222 3.222 3.222 . 0 0 "[ ]" 1
456 1 32 TYR H 1 32 TYR QB . . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
457 1 32 TYR H 1 32 TYR HB3 . . 3.700 2.092 2.092 2.092 . 0 0 "[ ]" 1
458 1 32 TYR H 1 33 ASN H . . 3.860 4.552 4.552 4.552 0.692 1 1 [+] 1
459 1 32 TYR HA 1 33 ASN H . . 2.900 2.389 2.389 2.389 . 0 0 "[ ]" 1
460 1 32 TYR QB 1 33 ASN H . . 3.740 3.401 3.401 3.401 . 0 0 "[ ]" 1
461 1 32 TYR QB 1 103 ILE MD . . 7.130 5.211 5.211 5.211 . 0 0 "[ ]" 1
462 1 32 TYR HB2 1 33 ASN H . . 4.200 3.603 3.603 3.603 . 0 0 "[ ]" 1
463 1 32 TYR HB3 1 33 ASN H . . 4.200 4.175 4.175 4.175 . 0 0 "[ ]" 1
464 1 32 TYR QD 1 33 ASN H . . 6.240 3.262 3.262 3.262 . 0 0 "[ ]" 1
465 1 32 TYR QD 1 39 ILE HA . . 7.640 4.264 4.264 4.264 . 0 0 "[ ]" 1
466 1 32 TYR QD 1 40 GLU H . . 7.640 6.295 6.295 6.295 . 0 0 "[ ]" 1
467 1 32 TYR QD 1 103 ILE MD . . 8.670 6.022 6.022 6.022 . 0 0 "[ ]" 1
468 1 33 ASN H 1 33 ASN QB . . 3.430 2.442 2.442 2.442 . 0 0 "[ ]" 1
469 1 33 ASN H 1 38 ARG H . . 4.140 3.597 3.597 3.597 . 0 0 "[ ]" 1
470 1 33 ASN H 1 39 ILE HA . . 3.700 4.468 4.468 4.468 0.768 1 1 [+] 1
471 1 33 ASN H 1 39 ILE QG . . 6.380 3.520 3.520 3.520 . 0 0 "[ ]" 1
472 1 33 ASN HA 1 34 GLU H . . 2.620 2.400 2.400 2.400 . 0 0 "[ ]" 1
473 1 33 ASN QB 1 36 ARG QB . . 6.750 2.964 2.964 2.964 . 0 0 "[ ]" 1
474 1 33 ASN QB 1 38 ARG H . . 4.860 4.580 4.580 4.580 . 0 0 "[ ]" 1
475 1 34 GLU H 1 34 GLU QB . . 3.830 2.411 2.411 2.411 . 0 0 "[ ]" 1
476 1 34 GLU H 1 35 TRP H . . 3.080 2.570 2.570 2.570 . 0 0 "[ ]" 1
477 1 34 GLU QB 1 35 TRP H . . 3.900 3.513 3.513 3.513 . 0 0 "[ ]" 1
478 1 35 TRP H 1 35 TRP HA . . 2.900 2.732 2.732 2.732 . 0 0 "[ ]" 1
479 1 35 TRP H 1 35 TRP QB . . 3.740 2.099 2.099 2.099 . 0 0 "[ ]" 1
480 1 35 TRP QB 1 36 ARG H . . 4.240 2.419 2.419 2.419 . 0 0 "[ ]" 1
481 1 36 ARG H 1 36 ARG HB2 . . 3.170 2.210 2.210 2.210 . 0 0 "[ ]" 1
482 1 36 ARG H 1 36 ARG QB . . 2.950 2.150 2.150 2.150 . 0 0 "[ ]" 1
483 1 36 ARG H 1 36 ARG HB3 . . 3.170 2.942 2.942 2.942 . 0 0 "[ ]" 1
484 1 36 ARG H 1 36 ARG HG2 . . 4.600 4.321 4.321 4.321 . 0 0 "[ ]" 1
485 1 36 ARG H 1 36 ARG QG . . 4.170 3.779 3.779 3.779 . 0 0 "[ ]" 1
486 1 36 ARG H 1 36 ARG HG3 . . 4.600 4.172 4.172 4.172 . 0 0 "[ ]" 1
487 1 36 ARG H 1 38 ARG H . . 4.380 4.005 4.005 4.005 . 0 0 "[ ]" 1
488 1 36 ARG HA 1 36 ARG HD2 . . 5.500 4.470 4.470 4.470 . 0 0 "[ ]" 1
489 1 36 ARG HA 1 36 ARG QD . . 5.050 3.816 3.816 3.816 . 0 0 "[ ]" 1
490 1 36 ARG HA 1 36 ARG HD3 . . 5.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
491 1 36 ARG HA 1 36 ARG HG2 . . 3.640 2.168 2.168 2.168 . 0 0 "[ ]" 1
492 1 36 ARG HA 1 36 ARG QG . . 3.350 2.111 2.111 2.111 . 0 0 "[ ]" 1
493 1 36 ARG HA 1 36 ARG HG3 . . 3.640 2.909 2.909 2.909 . 0 0 "[ ]" 1
494 1 37 LYS H 1 37 LYS HA . . 2.680 2.227 2.227 2.227 . 0 0 "[ ]" 1
495 1 37 LYS H 1 37 LYS QB . . 3.650 2.781 2.781 2.781 . 0 0 "[ ]" 1
496 1 37 LYS H 1 37 LYS QE . . 6.380 5.254 5.254 5.254 . 0 0 "[ ]" 1
497 1 37 LYS H 1 37 LYS QG . . 4.490 3.554 3.554 3.554 . 0 0 "[ ]" 1
498 1 37 LYS H 1 38 ARG H . . 2.900 2.830 2.830 2.830 . 0 0 "[ ]" 1
499 1 37 LYS HA 1 38 ARG H . . 3.520 3.034 3.034 3.034 . 0 0 "[ ]" 1
500 1 37 LYS QB 1 37 LYS QE . . 4.040 2.449 2.449 2.449 . 0 0 "[ ]" 1
501 1 37 LYS QB 1 38 ARG H . . 4.610 4.102 4.102 4.102 . 0 0 "[ ]" 1
502 1 37 LYS HB2 1 37 LYS QE . . 4.210 2.481 2.481 2.481 . 0 0 "[ ]" 1
503 1 37 LYS HB3 1 37 LYS QE . . 4.210 3.781 3.781 3.781 . 0 0 "[ ]" 1
504 1 37 LYS QE 1 38 ARG QD . . 5.890 4.751 4.751 4.751 . 0 0 "[ ]" 1
505 1 38 ARG H 1 38 ARG QB . . 3.520 2.739 2.739 2.739 . 0 0 "[ ]" 1
506 1 38 ARG HA 1 39 ILE H . . 2.900 2.240 2.240 2.240 . 0 0 "[ ]" 1
507 1 38 ARG QB 1 39 ILE H . . 4.150 3.767 3.767 3.767 . 0 0 "[ ]" 1
508 1 38 ARG QD 1 79 LYS H . . 6.310 4.511 4.511 4.511 . 0 0 "[ ]" 1
509 1 39 ILE H 1 39 ILE HB . . 3.210 2.352 2.352 2.352 . 0 0 "[ ]" 1
510 1 39 ILE H 1 39 ILE HG12 . . 5.070 4.161 4.161 4.161 . 0 0 "[ ]" 1
511 1 39 ILE H 1 39 ILE QG . . 4.660 3.822 3.822 3.822 . 0 0 "[ ]" 1
512 1 39 ILE H 1 39 ILE HG13 . . 5.070 4.453 4.453 4.453 . 0 0 "[ ]" 1
513 1 39 ILE HA 1 40 GLU H . . 2.830 2.382 2.382 2.382 . 0 0 "[ ]" 1
514 1 39 ILE HB 1 39 ILE QG . . 2.590 2.145 2.145 2.145 . 0 0 "[ ]" 1
515 1 39 ILE HB 1 40 GLU H . . 4.350 4.217 4.217 4.217 . 0 0 "[ ]" 1
516 1 39 ILE MD 1 91 PHE QD . . 8.340 6.627 6.627 6.627 . 0 0 "[ ]" 1
517 1 39 ILE QG 1 103 ILE MD . . 7.410 5.394 5.394 5.394 . 0 0 "[ ]" 1
518 1 39 ILE MG 1 40 GLU H . . 4.790 2.641 2.641 2.641 . 0 0 "[ ]" 1
519 1 40 GLU H 1 40 GLU HB2 . . 4.170 2.866 2.866 2.866 . 0 0 "[ ]" 1
520 1 40 GLU H 1 40 GLU QB . . 3.410 2.772 2.772 2.772 . 0 0 "[ ]" 1
521 1 40 GLU H 1 40 GLU HB3 . . 4.170 3.679 3.679 3.679 . 0 0 "[ ]" 1
522 1 40 GLU H 1 40 GLU HG2 . . 5.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
523 1 40 GLU H 1 40 GLU HG3 . . 5.500 1.952 1.952 1.952 . 0 0 "[ ]" 1
524 1 40 GLU HA 1 40 GLU HG2 . . 4.070 2.860 2.860 2.860 . 0 0 "[ ]" 1
525 1 40 GLU HA 1 40 GLU QG . . 3.900 2.707 2.707 2.707 . 0 0 "[ ]" 1
526 1 40 GLU HA 1 40 GLU HG3 . . 4.070 3.345 3.345 3.345 . 0 0 "[ ]" 1
527 1 40 GLU HA 1 41 VAL H . . 2.490 2.204 2.204 2.204 . 0 0 "[ ]" 1
528 1 40 GLU QB 1 41 VAL H . . 3.740 3.487 3.487 3.487 . 0 0 "[ ]" 1
529 1 40 GLU QB 1 99 PHE QE . . 8.500 5.883 5.883 5.883 . 0 0 "[ ]" 1
530 1 40 GLU HG2 1 41 VAL H . . 5.250 5.028 5.028 5.028 . 0 0 "[ ]" 1
531 1 40 GLU HG3 1 41 VAL H . . 5.250 5.290 5.290 5.290 0.040 1 0 "[ ]" 1
532 1 41 VAL H 1 41 VAL HB . . 2.620 2.240 2.240 2.240 . 0 0 "[ ]" 1
533 1 41 VAL HA 1 41 VAL HB . . 2.960 2.984 2.984 2.984 0.024 1 0 "[ ]" 1
534 1 41 VAL HB 1 42 LYS H . . 3.480 3.951 3.951 3.951 0.471 1 0 "[ ]" 1
535 1 41 VAL QG 1 42 LYS H . . 5.580 1.927 1.927 1.927 . 0 0 "[ ]" 1
536 1 41 VAL QG 1 99 PHE QE . . 9.740 4.503 4.503 4.503 . 0 0 "[ ]" 1
537 1 42 LYS H 1 42 LYS HB2 . . 3.240 3.216 3.216 3.216 . 0 0 "[ ]" 1
538 1 42 LYS H 1 42 LYS QB . . 3.050 2.294 2.294 2.294 . 0 0 "[ ]" 1
539 1 42 LYS H 1 42 LYS HB3 . . 3.240 2.349 2.349 2.349 . 0 0 "[ ]" 1
540 1 42 LYS H 1 43 ILE MD . . 6.530 5.618 5.618 5.618 . 0 0 "[ ]" 1
541 1 42 LYS HA 1 42 LYS QG . . 3.970 2.656 2.656 2.656 . 0 0 "[ ]" 1
542 1 42 LYS HA 1 43 ILE H . . 3.020 2.222 2.222 2.222 . 0 0 "[ ]" 1
543 1 42 LYS QB 1 43 ILE H . . 6.350 3.707 3.707 3.707 . 0 0 "[ ]" 1
544 1 42 LYS QG 1 43 ILE H . . 3.290 2.644 2.644 2.644 . 0 0 "[ ]" 1
545 1 42 LYS HG2 1 43 ILE H . . 3.980 3.118 3.118 3.118 . 0 0 "[ ]" 1
546 1 42 LYS HG3 1 43 ILE H . . 3.980 2.856 2.856 2.856 . 0 0 "[ ]" 1
547 1 43 ILE H 1 43 ILE QG . . 4.330 2.258 2.258 2.258 . 0 0 "[ ]" 1
548 1 43 ILE HA 1 43 ILE HB . . 2.930 2.670 2.670 2.670 . 0 0 "[ ]" 1
549 1 43 ILE HB 1 44 HIS H . . 3.210 2.029 2.029 2.029 . 0 0 "[ ]" 1
550 1 43 ILE MD 1 44 HIS H . . 5.570 3.623 3.623 3.623 . 0 0 "[ ]" 1
551 1 43 ILE MD 1 52 ALA HA . . 4.790 3.102 3.102 3.102 . 0 0 "[ ]" 1
552 1 43 ILE MD 1 52 ALA MB . . 5.850 1.903 1.903 1.903 . 0 0 "[ ]" 1
553 1 43 ILE MD 1 56 ILE QG . . 6.760 4.107 4.107 4.107 . 0 0 "[ ]" 1
554 1 43 ILE MG 1 44 HIS H . . 4.820 3.108 3.108 3.108 . 0 0 "[ ]" 1
555 1 43 ILE MG 1 56 ILE H . . 6.160 5.251 5.251 5.251 . 0 0 "[ ]" 1
556 1 43 ILE MG 1 56 ILE HA . . 4.880 4.096 4.096 4.096 . 0 0 "[ ]" 1
557 1 43 ILE MG 1 56 ILE MD . . 7.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
558 1 43 ILE MG 1 56 ILE HG12 . . 5.130 4.415 4.415 4.415 . 0 0 "[ ]" 1
559 1 43 ILE MG 1 56 ILE HG13 . . 5.130 4.198 4.198 4.198 . 0 0 "[ ]" 1
560 1 43 ILE MG 1 59 GLU H . . 5.290 4.953 4.953 4.953 . 0 0 "[ ]" 1
561 1 44 HIS H 1 44 HIS HB2 . . 3.390 2.405 2.405 2.405 . 0 0 "[ ]" 1
562 1 44 HIS H 1 44 HIS QB . . 3.180 2.368 2.368 2.368 . 0 0 "[ ]" 1
563 1 44 HIS H 1 44 HIS HB3 . . 3.390 3.551 3.551 3.551 0.161 1 0 "[ ]" 1
564 1 44 HIS H 1 45 SER H . . 3.580 4.458 4.458 4.458 0.878 1 1 [+] 1
565 1 46 PRO QD 1 47 PRO QD . . 5.510 1.274 1.274 1.274 . 0 0 "[ ]" 1
566 1 47 PRO HA 1 52 ALA MB . . 3.860 2.976 2.976 2.976 . 0 0 "[ ]" 1
567 1 47 PRO QB 1 48 GLN H . . 3.400 3.041 3.041 3.041 . 0 0 "[ ]" 1
568 1 47 PRO QB 1 52 ALA MB . . 5.490 1.975 1.975 1.975 . 0 0 "[ ]" 1
569 1 47 PRO QB 1 55 GLU QB . . 7.260 2.241 2.241 2.241 . 0 0 "[ ]" 1
570 1 48 GLN H 1 48 GLN HA . . 2.770 2.801 2.801 2.801 0.031 1 0 "[ ]" 1
571 1 48 GLN H 1 48 GLN QB . . 3.800 2.336 2.336 2.336 . 0 0 "[ ]" 1
572 1 48 GLN H 1 48 GLN QG . . 4.920 2.474 2.474 2.474 . 0 0 "[ ]" 1
573 1 48 GLN H 1 49 LYS H . . 3.140 2.766 2.766 2.766 . 0 0 "[ ]" 1
574 1 48 GLN H 1 52 ALA MB . . 5.750 3.543 3.543 3.543 . 0 0 "[ ]" 1
575 1 48 GLN HA 1 49 LYS H . . 3.480 3.246 3.246 3.246 . 0 0 "[ ]" 1
576 1 48 GLN HA 1 52 ALA MB . . 5.040 2.800 2.800 2.800 . 0 0 "[ ]" 1
577 1 49 LYS H 1 51 LYS QG . . 5.380 4.901 4.901 4.901 . 0 0 "[ ]" 1
578 1 49 LYS H 1 52 ALA MB . . 4.850 3.874 3.874 3.874 . 0 0 "[ ]" 1
579 1 50 GLY O 1 53 ASN H . . 2.000 1.918 1.918 1.918 . 0 0 "[ ]" 1
580 1 50 GLY O 1 53 ASN N . . 3.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
581 1 51 LYS HA 1 53 ASN H . . 3.760 3.324 3.324 3.324 . 0 0 "[ ]" 1
582 1 51 LYS QB 1 53 ASN H . . 4.670 4.665 4.665 4.665 . 0 0 "[ ]" 1
583 1 51 LYS O 1 55 GLU H . . 2.000 1.505 1.505 1.505 . 0 0 "[ ]" 1
584 1 51 LYS O 1 55 GLU N . . 3.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
585 1 52 ALA H 1 53 ASN H . . 2.550 2.824 2.824 2.824 0.274 1 0 "[ ]" 1
586 1 52 ALA HA 1 55 GLU H . . 4.850 3.355 3.355 3.355 . 0 0 "[ ]" 1
587 1 52 ALA HA 1 56 ILE QG . . 4.770 3.768 3.768 3.768 . 0 0 "[ ]" 1
588 1 52 ALA MB 1 53 ASN H . . 4.170 2.951 2.951 2.951 . 0 0 "[ ]" 1
589 1 52 ALA MB 1 54 ARG H . . 6.530 5.077 5.077 5.077 . 0 0 "[ ]" 1
590 1 52 ALA MB 1 55 GLU H . . 6.530 4.564 4.564 4.564 . 0 0 "[ ]" 1
591 1 52 ALA MB 1 55 GLU QB . . 7.400 3.660 3.660 3.660 . 0 0 "[ ]" 1
592 1 53 ASN H 1 53 ASN HB2 . . 3.300 2.030 2.030 2.030 . 0 0 "[ ]" 1
593 1 53 ASN H 1 53 ASN QB . . 3.070 2.011 2.011 2.011 . 0 0 "[ ]" 1
594 1 53 ASN H 1 53 ASN HB3 . . 3.300 3.270 3.270 3.270 . 0 0 "[ ]" 1
595 1 53 ASN H 1 53 ASN HD21 . . 4.690 3.469 3.469 3.469 . 0 0 "[ ]" 1
596 1 53 ASN H 1 53 ASN QD . . 4.520 3.389 3.389 3.389 . 0 0 "[ ]" 1
597 1 53 ASN H 1 53 ASN HD22 . . 4.690 4.752 4.752 4.752 0.062 1 0 "[ ]" 1
598 1 53 ASN H 1 54 ARG H . . 2.960 2.806 2.806 2.806 . 0 0 "[ ]" 1
599 1 53 ASN H 1 55 GLU H . . 4.630 3.585 3.585 3.585 . 0 0 "[ ]" 1
600 1 53 ASN HA 1 55 GLU H . . 3.890 4.450 4.450 4.450 0.560 1 1 [+] 1
601 1 53 ASN HA 1 56 ILE H . . 4.540 3.726 3.726 3.726 . 0 0 "[ ]" 1
602 1 53 ASN HA 1 56 ILE HB . . 2.830 3.064 3.064 3.064 0.234 1 0 "[ ]" 1
603 1 53 ASN HA 1 56 ILE MD . . 3.710 2.954 2.954 2.954 . 0 0 "[ ]" 1
604 1 53 ASN HA 1 70 ILE QG . . 5.330 2.656 2.656 2.656 . 0 0 "[ ]" 1
605 1 53 ASN QB 1 55 GLU H . . 4.990 4.170 4.170 4.170 . 0 0 "[ ]" 1
606 1 53 ASN QB 1 70 ILE QG . . 6.320 4.232 4.232 4.232 . 0 0 "[ ]" 1
607 1 53 ASN HB2 1 54 ARG H . . 3.360 2.738 2.738 2.738 . 0 0 "[ ]" 1
608 1 53 ASN HB2 1 55 GLU H . . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
609 1 53 ASN HB2 1 56 ILE MD . . 6.530 5.379 5.379 5.379 . 0 0 "[ ]" 1
610 1 53 ASN HB2 1 70 ILE MD . . 4.700 3.871 3.871 3.871 . 0 0 "[ ]" 1
611 1 53 ASN HB2 1 70 ILE HG12 . . 7.250 5.112 5.112 5.112 . 0 0 "[ ]" 1
612 1 53 ASN HB2 1 70 ILE HG13 . . 7.250 6.504 6.504 6.504 . 0 0 "[ ]" 1
613 1 53 ASN HB3 1 54 ARG H . . 3.360 2.472 2.472 2.472 . 0 0 "[ ]" 1
614 1 53 ASN HB3 1 55 GLU H . . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
615 1 53 ASN HB3 1 56 ILE MD . . 6.530 5.320 5.320 5.320 . 0 0 "[ ]" 1
616 1 53 ASN HB3 1 70 ILE MD . . 4.700 3.001 3.001 3.001 . 0 0 "[ ]" 1
617 1 53 ASN HB3 1 70 ILE HG12 . . 7.250 4.816 4.816 4.816 . 0 0 "[ ]" 1
618 1 53 ASN HB3 1 70 ILE HG13 . . 7.250 5.867 5.867 5.867 . 0 0 "[ ]" 1
619 1 53 ASN QD 1 74 GLN QB . . 6.310 2.394 2.394 2.394 . 0 0 "[ ]" 1
620 1 53 ASN QD 1 74 GLN QG . . 6.310 3.975 3.975 3.975 . 0 0 "[ ]" 1
621 1 53 ASN HD21 1 74 GLN HB2 . . 7.230 4.084 4.084 4.084 . 0 0 "[ ]" 1
622 1 53 ASN HD21 1 74 GLN HB3 . . 7.230 4.705 4.705 4.705 . 0 0 "[ ]" 1
623 1 53 ASN HD21 1 74 GLN HG2 . . 7.230 6.170 6.170 6.170 . 0 0 "[ ]" 1
624 1 53 ASN HD21 1 74 GLN HG3 . . 7.230 6.246 6.246 6.246 . 0 0 "[ ]" 1
625 1 53 ASN HD22 1 74 GLN HB2 . . 7.230 2.549 2.549 2.549 . 0 0 "[ ]" 1
626 1 53 ASN HD22 1 74 GLN HB3 . . 7.230 3.005 3.005 3.005 . 0 0 "[ ]" 1
627 1 53 ASN HD22 1 74 GLN HG2 . . 7.230 4.484 4.484 4.484 . 0 0 "[ ]" 1
628 1 53 ASN HD22 1 74 GLN HG3 . . 7.230 4.677 4.677 4.677 . 0 0 "[ ]" 1
629 1 54 ARG H 1 54 ARG HA . . 2.650 2.807 2.807 2.807 0.157 1 0 "[ ]" 1
630 1 54 ARG H 1 54 ARG QB . . 3.460 2.024 2.024 2.024 . 0 0 "[ ]" 1
631 1 54 ARG H 1 54 ARG HG2 . . 4.200 4.137 4.137 4.137 . 0 0 "[ ]" 1
632 1 54 ARG H 1 54 ARG QG . . 3.920 3.346 3.346 3.346 . 0 0 "[ ]" 1
633 1 54 ARG H 1 54 ARG HG3 . . 4.200 3.535 3.535 3.535 . 0 0 "[ ]" 1
634 1 54 ARG H 1 55 GLU H . . 2.830 2.484 2.484 2.484 . 0 0 "[ ]" 1
635 1 54 ARG H 1 55 GLU QB . . 5.540 4.135 4.135 4.135 . 0 0 "[ ]" 1
636 1 54 ARG H 1 56 ILE H . . 4.450 3.994 3.994 3.994 . 0 0 "[ ]" 1
637 1 54 ARG H 1 57 ILE MD . . 6.530 5.078 5.078 5.078 . 0 0 "[ ]" 1
638 1 54 ARG H 1 70 ILE MD . . 6.530 4.209 4.209 4.209 . 0 0 "[ ]" 1
639 1 54 ARG HA 1 54 ARG HD2 . . 4.630 4.222 4.222 4.222 . 0 0 "[ ]" 1
640 1 54 ARG HA 1 54 ARG QD . . 4.330 3.906 3.906 3.906 . 0 0 "[ ]" 1
641 1 54 ARG HA 1 54 ARG HD3 . . 4.630 4.604 4.604 4.604 . 0 0 "[ ]" 1
642 1 54 ARG HA 1 54 ARG HG2 . . 2.960 2.173 2.173 2.173 . 0 0 "[ ]" 1
643 1 54 ARG HA 1 54 ARG QG . . 2.550 2.099 2.099 2.099 . 0 0 "[ ]" 1
644 1 54 ARG HA 1 54 ARG HG3 . . 2.960 2.772 2.772 2.772 . 0 0 "[ ]" 1
645 1 54 ARG HA 1 55 GLU H . . 3.170 3.552 3.552 3.552 0.382 1 0 "[ ]" 1
646 1 54 ARG HA 1 57 ILE H . . 3.300 3.847 3.847 3.847 0.547 1 1 [+] 1
647 1 54 ARG HA 1 57 ILE MD . . 3.890 3.161 3.161 3.161 . 0 0 "[ ]" 1
648 1 54 ARG QB 1 55 GLU H . . 3.620 2.942 2.942 2.942 . 0 0 "[ ]" 1
649 1 54 ARG QD 1 54 ARG QG . . 2.170 1.987 1.987 1.987 . 0 0 "[ ]" 1
650 1 54 ARG HD2 1 54 ARG HG2 . . 2.680 2.346 2.346 2.346 . 0 0 "[ ]" 1
651 1 54 ARG HD2 1 54 ARG HG3 . . 2.680 3.016 3.016 3.016 0.336 1 0 "[ ]" 1
652 1 54 ARG HD3 1 54 ARG HG2 . . 2.680 2.649 2.649 2.649 . 0 0 "[ ]" 1
653 1 54 ARG HD3 1 54 ARG HG3 . . 2.680 2.344 2.344 2.344 . 0 0 "[ ]" 1
654 1 54 ARG QG 1 55 GLU H . . 6.380 4.564 4.564 4.564 . 0 0 "[ ]" 1
655 1 55 GLU H 1 55 GLU HA . . 2.650 2.804 2.804 2.804 0.154 1 0 "[ ]" 1
656 1 55 GLU H 1 55 GLU QB . . 3.520 2.016 2.016 2.016 . 0 0 "[ ]" 1
657 1 55 GLU H 1 55 GLU HG2 . . 4.940 4.194 4.194 4.194 . 0 0 "[ ]" 1
658 1 55 GLU H 1 55 GLU QG . . 4.360 3.409 3.409 3.409 . 0 0 "[ ]" 1
659 1 55 GLU H 1 55 GLU HG3 . . 4.940 3.607 3.607 3.607 . 0 0 "[ ]" 1
660 1 55 GLU H 1 56 ILE H . . 2.710 2.532 2.532 2.532 . 0 0 "[ ]" 1
661 1 55 GLU H 1 70 ILE MD . . 6.530 5.072 5.072 5.072 . 0 0 "[ ]" 1
662 1 55 GLU HA 1 55 GLU HG2 . . 3.480 2.190 2.190 2.190 . 0 0 "[ ]" 1
663 1 55 GLU HA 1 55 GLU QG . . 3.310 2.101 2.101 2.101 . 0 0 "[ ]" 1
664 1 55 GLU HA 1 55 GLU HG3 . . 3.480 2.702 2.702 2.702 . 0 0 "[ ]" 1
665 1 55 GLU HA 1 56 ILE H . . 3.110 3.542 3.542 3.542 0.432 1 0 "[ ]" 1
666 1 55 GLU HA 1 58 LYS H . . 3.390 3.062 3.062 3.062 . 0 0 "[ ]" 1
667 1 55 GLU HA 1 58 LYS QB . . 4.580 1.933 1.933 1.933 . 0 0 "[ ]" 1
668 1 55 GLU HA 1 58 LYS QE . . 6.310 5.118 5.118 5.118 . 0 0 "[ ]" 1
669 1 55 GLU O 1 59 GLU H . . 2.000 1.411 1.411 1.411 . 0 0 "[ ]" 1
670 1 55 GLU O 1 59 GLU N . . 3.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
671 1 56 ILE H 1 56 ILE HB . . 2.800 2.033 2.033 2.033 . 0 0 "[ ]" 1
672 1 56 ILE H 1 56 ILE MD . . 4.640 3.858 3.858 3.858 . 0 0 "[ ]" 1
673 1 56 ILE H 1 56 ILE HG12 . . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
674 1 56 ILE H 1 56 ILE QG . . 5.080 2.903 2.903 2.903 . 0 0 "[ ]" 1
675 1 56 ILE H 1 56 ILE HG13 . . 5.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
676 1 56 ILE H 1 57 ILE H . . 2.650 3.021 3.021 3.021 0.371 1 0 "[ ]" 1
677 1 56 ILE HA 1 56 ILE QG . . 3.960 2.152 2.152 2.152 . 0 0 "[ ]" 1
678 1 56 ILE HA 1 59 GLU H . . 3.360 3.564 3.564 3.564 0.204 1 0 "[ ]" 1
679 1 56 ILE HA 1 60 PHE QD . . 7.620 3.065 3.065 3.065 . 0 0 "[ ]" 1
680 1 56 ILE HB 1 56 ILE MD . . 3.640 2.394 2.394 2.394 . 0 0 "[ ]" 1
681 1 56 ILE HB 1 57 ILE H . . 2.680 2.790 2.790 2.790 0.110 1 0 "[ ]" 1
682 1 56 ILE MD 1 57 ILE H . . 6.530 4.437 4.437 4.437 . 0 0 "[ ]" 1
683 1 56 ILE MD 1 70 ILE HG12 . . 3.950 2.266 2.266 2.266 . 0 0 "[ ]" 1
684 1 56 ILE MD 1 70 ILE QG . . 3.720 1.813 1.813 1.813 . 0 0 "[ ]" 1
685 1 56 ILE MD 1 70 ILE HG13 . . 3.950 1.908 1.908 1.908 . 0 0 "[ ]" 1
686 1 56 ILE MG 1 57 ILE H . . 4.540 2.261 2.261 2.261 . 0 0 "[ ]" 1
687 1 56 ILE MG 1 60 PHE QD . . 8.280 1.919 1.919 1.919 . 0 0 "[ ]" 1
688 1 56 ILE MG 1 81 ILE MD . . 6.840 4.162 4.162 4.162 . 0 0 "[ ]" 1
689 1 57 ILE H 1 57 ILE HB . . 2.520 2.239 2.239 2.239 . 0 0 "[ ]" 1
690 1 57 ILE H 1 57 ILE MD . . 3.430 1.908 1.908 1.908 . 0 0 "[ ]" 1
691 1 57 ILE H 1 57 ILE QG . . 3.740 2.964 2.964 2.964 . 0 0 "[ ]" 1
692 1 57 ILE H 1 58 LYS H . . 3.050 2.647 2.647 2.647 . 0 0 "[ ]" 1
693 1 57 ILE HA 1 57 ILE QG . . 3.920 2.132 2.132 2.132 . 0 0 "[ ]" 1
694 1 57 ILE HA 1 57 ILE MG . . 3.490 2.574 2.574 2.574 . 0 0 "[ ]" 1
695 1 57 ILE HA 1 61 SER H . . 5.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
696 1 57 ILE HA 1 68 VAL HB . . 3.790 2.485 2.485 2.485 . 0 0 "[ ]" 1
697 1 57 ILE HA 1 68 VAL MG1 . . 5.230 3.432 3.432 3.432 . 0 0 "[ ]" 1
698 1 57 ILE HA 1 68 VAL QG . . 4.190 3.223 3.223 3.223 . 0 0 "[ ]" 1
699 1 57 ILE HA 1 68 VAL MG2 . . 5.230 3.908 3.908 3.908 . 0 0 "[ ]" 1
700 1 57 ILE HB 1 58 LYS H . . 2.800 3.138 3.138 3.138 0.338 1 0 "[ ]" 1
701 1 57 ILE MD 1 58 LYS H . . 6.530 4.067 4.067 4.067 . 0 0 "[ ]" 1
702 1 57 ILE MD 1 69 GLU HA . . 5.100 2.143 2.143 2.143 . 0 0 "[ ]" 1
703 1 57 ILE MD 1 70 ILE H . . 4.050 3.197 3.197 3.197 . 0 0 "[ ]" 1
704 1 57 ILE MG 1 58 LYS H . . 3.920 3.508 3.508 3.508 . 0 0 "[ ]" 1
705 1 57 ILE MG 1 58 LYS HA . . 4.980 3.360 3.360 3.360 . 0 0 "[ ]" 1
706 1 57 ILE MG 1 61 SER HB2 . . 4.540 2.608 2.608 2.608 . 0 0 "[ ]" 1
707 1 57 ILE MG 1 61 SER QB . . 4.390 2.509 2.509 2.509 . 0 0 "[ ]" 1
708 1 57 ILE MG 1 61 SER HB3 . . 4.540 3.261 3.261 3.261 . 0 0 "[ ]" 1
709 1 57 ILE MG 1 62 GLU H . . 6.530 5.312 5.312 5.312 . 0 0 "[ ]" 1
710 1 57 ILE MG 1 68 VAL H . . 6.530 3.333 3.333 3.333 . 0 0 "[ ]" 1
711 1 58 LYS H 1 58 LYS HA . . 2.740 2.845 2.845 2.845 0.105 1 0 "[ ]" 1
712 1 58 LYS H 1 58 LYS HB2 . . 3.240 2.072 2.072 2.072 . 0 0 "[ ]" 1
713 1 58 LYS H 1 58 LYS QB . . 2.710 2.041 2.041 2.041 . 0 0 "[ ]" 1
714 1 58 LYS H 1 58 LYS HB3 . . 3.240 3.068 3.068 3.068 . 0 0 "[ ]" 1
715 1 58 LYS H 1 58 LYS HG2 . . 4.420 3.961 3.961 3.961 . 0 0 "[ ]" 1
716 1 58 LYS H 1 58 LYS HG3 . . 4.420 4.105 4.105 4.105 . 0 0 "[ ]" 1
717 1 58 LYS H 1 59 GLU H . . 3.080 2.682 2.682 2.682 . 0 0 "[ ]" 1
718 1 58 LYS H 1 60 PHE H . . 4.350 4.215 4.215 4.215 . 0 0 "[ ]" 1
719 1 58 LYS HA 1 58 LYS HB2 . . 2.650 2.797 2.797 2.797 0.147 1 0 "[ ]" 1
720 1 58 LYS HA 1 58 LYS QB . . 2.390 2.540 2.540 2.540 0.150 1 0 "[ ]" 1
721 1 58 LYS HA 1 58 LYS HB3 . . 2.650 2.914 2.914 2.914 0.264 1 0 "[ ]" 1
722 1 58 LYS HA 1 58 LYS HG2 . . 3.760 1.952 1.952 1.952 . 0 0 "[ ]" 1
723 1 58 LYS HA 1 58 LYS QG . . 3.500 1.938 1.938 1.938 . 0 0 "[ ]" 1
724 1 58 LYS HA 1 58 LYS HG3 . . 3.760 3.270 3.270 3.270 . 0 0 "[ ]" 1
725 1 58 LYS HA 1 59 GLU H . . 3.480 3.638 3.638 3.638 0.158 1 0 "[ ]" 1
726 1 58 LYS QB 1 59 GLU H . . 3.470 2.428 2.428 2.428 . 0 0 "[ ]" 1
727 1 58 LYS QD 1 59 GLU H . . 6.380 4.373 4.373 4.373 . 0 0 "[ ]" 1
728 1 58 LYS QG 1 59 GLU H . . 5.300 4.387 4.387 4.387 . 0 0 "[ ]" 1
729 1 58 LYS HG2 1 59 GLU H . . 5.500 4.809 4.809 4.809 . 0 0 "[ ]" 1
730 1 58 LYS HG3 1 59 GLU H . . 5.500 5.060 5.060 5.060 . 0 0 "[ ]" 1
731 1 59 GLU H 1 59 GLU HA . . 2.770 2.836 2.836 2.836 0.066 1 0 "[ ]" 1
732 1 59 GLU H 1 59 GLU HG2 . . 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 1
733 1 59 GLU H 1 59 GLU QG . . 3.020 2.768 2.768 2.768 . 0 0 "[ ]" 1
734 1 59 GLU H 1 59 GLU HG3 . . 3.300 3.033 3.033 3.033 . 0 0 "[ ]" 1
735 1 59 GLU H 1 60 PHE H . . 2.860 2.686 2.686 2.686 . 0 0 "[ ]" 1
736 1 59 GLU H 1 60 PHE QB . . 5.420 3.994 3.994 3.994 . 0 0 "[ ]" 1
737 1 59 GLU QG 1 60 PHE H . . 6.380 4.117 4.117 4.117 . 0 0 "[ ]" 1
738 1 59 GLU O 1 63 THR H . . 2.000 1.244 1.244 1.244 . 0 0 "[ ]" 1
739 1 59 GLU O 1 63 THR N . . 3.000 2.217 2.217 2.217 . 0 0 "[ ]" 1
740 1 60 PHE H 1 60 PHE HB2 . . 3.050 1.927 1.927 1.927 . 0 0 "[ ]" 1
741 1 60 PHE H 1 60 PHE QB . . 2.790 1.912 1.912 1.912 . 0 0 "[ ]" 1
742 1 60 PHE H 1 60 PHE HB3 . . 3.050 3.211 3.211 3.211 0.161 1 0 "[ ]" 1
743 1 60 PHE H 1 61 SER H . . 3.020 3.095 3.095 3.095 0.075 1 0 "[ ]" 1
744 1 60 PHE H 1 62 GLU H . . 4.690 4.077 4.077 4.077 . 0 0 "[ ]" 1
745 1 60 PHE H 1 62 GLU QB . . 5.980 4.810 4.810 4.810 . 0 0 "[ ]" 1
746 1 60 PHE HA 1 63 THR H . . 3.390 3.382 3.382 3.382 . 0 0 "[ ]" 1
747 1 60 PHE HA 1 63 THR HB . . 3.140 2.544 2.544 2.544 . 0 0 "[ ]" 1
748 1 60 PHE HA 1 63 THR MG . . 6.310 2.571 2.571 2.571 . 0 0 "[ ]" 1
749 1 60 PHE HA 1 64 PHE H . . 3.830 4.017 4.017 4.017 0.187 1 0 "[ ]" 1
750 1 60 PHE HA 1 68 VAL QG . . 8.090 3.799 3.799 3.799 . 0 0 "[ ]" 1
751 1 60 PHE QB 1 61 SER H . . 3.230 2.312 2.312 2.312 . 0 0 "[ ]" 1
752 1 60 PHE QB 1 62 GLU H . . 5.640 4.305 4.305 4.305 . 0 0 "[ ]" 1
753 1 60 PHE QB 1 68 VAL QG . . 4.340 1.866 1.866 1.866 . 0 0 "[ ]" 1
754 1 60 PHE HB2 1 61 SER H . . 3.450 2.923 2.923 2.923 . 0 0 "[ ]" 1
755 1 60 PHE HB2 1 68 VAL MG1 . . 5.070 2.982 2.982 2.982 . 0 0 "[ ]" 1
756 1 60 PHE HB2 1 68 VAL MG2 . . 5.070 3.336 3.336 3.336 . 0 0 "[ ]" 1
757 1 60 PHE HB3 1 61 SER H . . 3.450 2.423 2.423 2.423 . 0 0 "[ ]" 1
758 1 60 PHE HB3 1 68 VAL MG1 . . 5.070 2.788 2.788 2.788 . 0 0 "[ ]" 1
759 1 60 PHE HB3 1 68 VAL MG2 . . 5.070 1.929 1.929 1.929 . 0 0 "[ ]" 1
760 1 60 PHE QD 1 63 THR H . . 7.620 4.905 4.905 4.905 . 0 0 "[ ]" 1
761 1 60 PHE QD 1 68 VAL QG . . 10.210 1.913 1.913 1.913 . 0 0 "[ ]" 1
762 1 61 SER H 1 61 SER HB2 . . 3.270 2.340 2.340 2.340 . 0 0 "[ ]" 1
763 1 61 SER H 1 61 SER QB . . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
764 1 61 SER H 1 61 SER HB3 . . 3.270 2.612 2.612 2.612 . 0 0 "[ ]" 1
765 1 61 SER H 1 62 GLU H . . 2.860 2.652 2.652 2.652 . 0 0 "[ ]" 1
766 1 61 SER H 1 63 THR H . . 5.040 4.120 4.120 4.120 . 0 0 "[ ]" 1
767 1 61 SER H 1 68 VAL HB . . 4.630 3.708 3.708 3.708 . 0 0 "[ ]" 1
768 1 61 SER H 1 68 VAL MG1 . . 5.470 4.544 4.544 4.544 . 0 0 "[ ]" 1
769 1 61 SER H 1 68 VAL QG . . 4.690 3.610 3.610 3.610 . 0 0 "[ ]" 1
770 1 61 SER H 1 68 VAL MG2 . . 5.470 3.789 3.789 3.789 . 0 0 "[ ]" 1
771 1 61 SER HA 1 65 GLY H . . 4.170 2.956 2.956 2.956 . 0 0 "[ ]" 1
772 1 61 SER HA 1 66 ARG H . . 2.930 2.569 2.569 2.569 . 0 0 "[ ]" 1
773 1 61 SER HA 1 68 VAL MG1 . . 6.530 5.467 5.467 5.467 . 0 0 "[ ]" 1
774 1 61 SER HA 1 68 VAL QG . . 5.380 3.532 3.532 3.532 . 0 0 "[ ]" 1
775 1 61 SER HA 1 68 VAL MG2 . . 6.530 3.576 3.576 3.576 . 0 0 "[ ]" 1
776 1 61 SER QB 1 62 GLU H . . 3.930 2.747 2.747 2.747 . 0 0 "[ ]" 1
777 1 61 SER QB 1 66 ARG H . . 5.760 4.494 4.494 4.494 . 0 0 "[ ]" 1
778 1 61 SER QB 1 68 VAL H . . 4.970 3.781 3.781 3.781 . 0 0 "[ ]" 1
779 1 61 SER QB 1 68 VAL HB . . 4.630 3.577 3.577 3.577 . 0 0 "[ ]" 1
780 1 61 SER QB 1 68 VAL QG . . 6.950 3.805 3.805 3.805 . 0 0 "[ ]" 1
781 1 61 SER HB2 1 62 GLU H . . 4.320 3.911 3.911 3.911 . 0 0 "[ ]" 1
782 1 61 SER HB2 1 68 VAL H . . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
783 1 61 SER HB2 1 68 VAL HB . . 4.940 3.641 3.641 3.641 . 0 0 "[ ]" 1
784 1 61 SER HB3 1 62 GLU H . . 4.320 2.806 2.806 2.806 . 0 0 "[ ]" 1
785 1 61 SER HB3 1 68 VAL H . . 5.500 5.561 5.561 5.561 0.061 1 0 "[ ]" 1
786 1 61 SER HB3 1 68 VAL HB . . 4.940 5.232 5.232 5.232 0.292 1 0 "[ ]" 1
787 1 62 GLU H 1 62 GLU HA . . 2.430 2.840 2.840 2.840 0.410 1 0 "[ ]" 1
788 1 62 GLU H 1 62 GLU HB2 . . 3.170 2.161 2.161 2.161 . 0 0 "[ ]" 1
789 1 62 GLU H 1 62 GLU QB . . 2.670 2.140 2.140 2.140 . 0 0 "[ ]" 1
790 1 62 GLU H 1 62 GLU HB3 . . 3.170 3.452 3.452 3.452 0.282 1 0 "[ ]" 1
791 1 62 GLU H 1 62 GLU HG2 . . 3.640 3.661 3.661 3.661 0.021 1 0 "[ ]" 1
792 1 62 GLU H 1 62 GLU QG . . 3.170 2.941 2.941 2.941 . 0 0 "[ ]" 1
793 1 62 GLU H 1 62 GLU HG3 . . 3.640 3.098 3.098 3.098 . 0 0 "[ ]" 1
794 1 62 GLU H 1 63 THR H . . 2.550 2.455 2.455 2.455 . 0 0 "[ ]" 1
795 1 62 GLU H 1 63 THR HB . . 4.450 4.162 4.162 4.162 . 0 0 "[ ]" 1
796 1 62 GLU HA 1 62 GLU HB2 . . 2.680 3.003 3.003 3.003 0.323 1 0 "[ ]" 1
797 1 62 GLU HA 1 62 GLU QB . . 2.390 2.519 2.519 2.519 0.129 1 0 "[ ]" 1
798 1 62 GLU HA 1 62 GLU HB3 . . 2.680 2.706 2.706 2.706 0.026 1 0 "[ ]" 1
799 1 62 GLU HA 1 62 GLU HG2 . . 2.960 2.084 2.084 2.084 . 0 0 "[ ]" 1
800 1 62 GLU HA 1 62 GLU QG . . 2.680 2.054 2.054 2.054 . 0 0 "[ ]" 1
801 1 62 GLU HA 1 62 GLU HG3 . . 2.960 3.113 3.113 3.113 0.153 1 0 "[ ]" 1
802 1 62 GLU HA 1 63 THR H . . 3.140 3.602 3.602 3.602 0.462 1 0 "[ ]" 1
803 1 62 GLU QB 1 62 GLU QG . . 2.360 2.106 2.106 2.106 . 0 0 "[ ]" 1
804 1 62 GLU QB 1 63 THR H . . 3.140 2.724 2.724 2.724 . 0 0 "[ ]" 1
805 1 62 GLU HB2 1 62 GLU HG2 . . 2.960 3.003 3.003 3.003 0.043 1 0 "[ ]" 1
806 1 62 GLU HB2 1 62 GLU HG3 . . 2.960 2.328 2.328 2.328 . 0 0 "[ ]" 1
807 1 62 GLU HB2 1 63 THR H . . 3.700 2.868 2.868 2.868 . 0 0 "[ ]" 1
808 1 62 GLU HB3 1 62 GLU HG2 . . 2.960 2.724 2.724 2.724 . 0 0 "[ ]" 1
809 1 62 GLU HB3 1 62 GLU HG3 . . 2.960 3.003 3.003 3.003 0.043 1 0 "[ ]" 1
810 1 62 GLU HB3 1 63 THR H . . 3.700 3.397 3.397 3.397 . 0 0 "[ ]" 1
811 1 62 GLU QG 1 63 THR H . . 5.730 4.384 4.384 4.384 . 0 0 "[ ]" 1
812 1 63 THR H 1 63 THR HA . . 2.490 2.755 2.755 2.755 0.265 1 0 "[ ]" 1
813 1 63 THR H 1 63 THR HB . . 3.080 1.976 1.976 1.976 . 0 0 "[ ]" 1
814 1 63 THR H 1 63 THR MG . . 4.700 3.044 3.044 3.044 . 0 0 "[ ]" 1
815 1 63 THR H 1 64 PHE H . . 3.140 2.918 2.918 2.918 . 0 0 "[ ]" 1
816 1 63 THR H 1 65 GLY H . . 3.950 4.076 4.076 4.076 0.126 1 0 "[ ]" 1
817 1 63 THR HA 1 64 PHE H . . 2.830 3.622 3.622 3.622 0.792 1 1 [+] 1
818 1 63 THR HB 1 64 PHE H . . 3.420 3.369 3.369 3.369 . 0 0 "[ ]" 1
819 1 63 THR MG 1 64 PHE H . . 4.880 1.848 1.848 1.848 . 0 0 "[ ]" 1
820 1 63 THR MG 1 64 PHE QB . . 6.790 2.271 2.271 2.271 . 0 0 "[ ]" 1
821 1 63 THR MG 1 98 LYS HD2 . . 6.530 5.328 5.328 5.328 . 0 0 "[ ]" 1
822 1 63 THR MG 1 98 LYS QD . . 6.380 4.001 4.001 4.001 . 0 0 "[ ]" 1
823 1 63 THR MG 1 98 LYS HD3 . . 6.530 4.135 4.135 4.135 . 0 0 "[ ]" 1
824 1 63 THR MG 1 98 LYS HE2 . . 5.880 3.451 3.451 3.451 . 0 0 "[ ]" 1
825 1 63 THR MG 1 98 LYS QE . . 5.510 3.373 3.373 3.373 . 0 0 "[ ]" 1
826 1 63 THR MG 1 98 LYS HE3 . . 5.880 4.746 4.746 4.746 . 0 0 "[ ]" 1
827 1 64 PHE H 1 64 PHE HB2 . . 3.170 2.599 2.599 2.599 . 0 0 "[ ]" 1
828 1 64 PHE H 1 64 PHE QB . . 2.910 2.230 2.230 2.230 . 0 0 "[ ]" 1
829 1 64 PHE H 1 64 PHE HB3 . . 3.170 2.427 2.427 2.427 . 0 0 "[ ]" 1
830 1 64 PHE H 1 64 PHE QE . . 6.380 6.222 6.222 6.222 . 0 0 "[ ]" 1
831 1 64 PHE H 1 65 GLY H . . 2.860 2.141 2.141 2.141 . 0 0 "[ ]" 1
832 1 64 PHE H 1 65 GLY QA . . 5.390 4.013 4.013 4.013 . 0 0 "[ ]" 1
833 1 64 PHE H 1 66 ARG H . . 3.760 3.633 3.633 3.633 . 0 0 "[ ]" 1
834 1 64 PHE HA 1 64 PHE HB2 . . 3.020 2.588 2.588 2.588 . 0 0 "[ ]" 1
835 1 64 PHE HA 1 64 PHE QB . . 2.730 2.461 2.461 2.461 . 0 0 "[ ]" 1
836 1 64 PHE HA 1 64 PHE HB3 . . 3.020 3.077 3.077 3.077 0.057 1 0 "[ ]" 1
837 1 64 PHE HA 1 64 PHE QE . . 6.040 4.769 4.769 4.769 . 0 0 "[ ]" 1
838 1 64 PHE HA 1 65 GLY H . . 3.450 3.610 3.610 3.610 0.160 1 0 "[ ]" 1
839 1 64 PHE HA 1 66 ARG H . . 4.790 4.822 4.822 4.822 0.032 1 0 "[ ]" 1
840 1 64 PHE HA 1 86 MET ME . . 6.530 5.215 5.215 5.215 . 0 0 "[ ]" 1
841 1 64 PHE HA 1 94 LEU HG . . 3.170 3.518 3.518 3.518 0.348 1 0 "[ ]" 1
842 1 64 PHE QB 1 65 GLY H . . 4.050 2.432 2.432 2.432 . 0 0 "[ ]" 1
843 1 64 PHE QB 1 66 ARG H . . 5.450 2.470 2.470 2.470 . 0 0 "[ ]" 1
844 1 64 PHE QB 1 83 ILE MG . . 5.930 4.307 4.307 4.307 . 0 0 "[ ]" 1
845 1 64 PHE QB 1 86 MET ME . . 5.170 3.374 3.374 3.374 . 0 0 "[ ]" 1
846 1 64 PHE HB2 1 65 GLY H . . 4.690 3.732 3.732 3.732 . 0 0 "[ ]" 1
847 1 64 PHE HB2 1 83 ILE MG . . 6.310 5.267 5.267 5.267 . 0 0 "[ ]" 1
848 1 64 PHE HB2 1 86 MET ME . . 5.630 3.872 3.872 3.872 . 0 0 "[ ]" 1
849 1 64 PHE HB3 1 65 GLY H . . 4.690 2.464 2.464 2.464 . 0 0 "[ ]" 1
850 1 64 PHE HB3 1 83 ILE MG . . 6.310 4.569 4.569 4.569 . 0 0 "[ ]" 1
851 1 64 PHE HB3 1 86 MET ME . . 5.630 3.715 3.715 3.715 . 0 0 "[ ]" 1
852 1 64 PHE QD 1 94 LEU H . . 7.620 4.065 4.065 4.065 . 0 0 "[ ]" 1
853 1 64 PHE QD 1 94 LEU HB2 . . 7.620 2.410 2.410 2.410 . 0 0 "[ ]" 1
854 1 64 PHE QD 1 94 LEU HB3 . . 7.620 3.315 3.315 3.315 . 0 0 "[ ]" 1
855 1 64 PHE QD 1 94 LEU HG . . 7.620 2.227 2.227 2.227 . 0 0 "[ ]" 1
856 1 64 PHE QE 1 65 GLY H . . 7.620 5.779 5.779 5.779 . 0 0 "[ ]" 1
857 1 64 PHE QE 1 86 MET ME . . 8.650 2.071 2.071 2.071 . 0 0 "[ ]" 1
858 1 64 PHE QE 1 94 LEU HG . . 6.940 3.008 3.008 3.008 . 0 0 "[ ]" 1
859 1 65 GLY H 1 65 GLY HA2 . . 2.650 2.384 2.384 2.384 . 0 0 "[ ]" 1
860 1 65 GLY H 1 65 GLY QA . . 2.420 2.288 2.288 2.288 . 0 0 "[ ]" 1
861 1 65 GLY H 1 65 GLY HA3 . . 2.650 2.951 2.951 2.951 0.301 1 0 "[ ]" 1
862 1 65 GLY H 1 66 ARG H . . 2.770 2.004 2.004 2.004 . 0 0 "[ ]" 1
863 1 65 GLY QA 1 66 ARG H . . 2.890 2.942 2.942 2.942 0.052 1 0 "[ ]" 1
864 1 65 GLY HA2 1 66 ARG H . . 3.110 3.160 3.160 3.160 0.050 1 0 "[ ]" 1
865 1 65 GLY HA3 1 66 ARG H . . 3.110 3.507 3.507 3.507 0.397 1 0 "[ ]" 1
866 1 66 ARG H 1 66 ARG HB2 . . 3.210 3.464 3.464 3.464 0.254 1 0 "[ ]" 1
867 1 66 ARG H 1 66 ARG QB . . 3.020 3.069 3.069 3.069 0.049 1 0 "[ ]" 1
868 1 66 ARG H 1 66 ARG HB3 . . 3.210 3.425 3.425 3.425 0.215 1 0 "[ ]" 1
869 1 66 ARG H 1 66 ARG HG2 . . 4.660 3.383 3.383 3.383 . 0 0 "[ ]" 1
870 1 66 ARG H 1 66 ARG QG . . 4.350 1.876 1.876 1.876 . 0 0 "[ ]" 1
871 1 66 ARG H 1 66 ARG HG3 . . 4.660 1.885 1.885 1.885 . 0 0 "[ ]" 1
872 1 66 ARG H 1 67 ASP H . . 3.790 4.422 4.422 4.422 0.632 1 1 [+] 1
873 1 66 ARG H 1 86 MET ME . . 6.530 4.806 4.806 4.806 . 0 0 "[ ]" 1
874 1 66 ARG QB 1 83 ILE MG . . 4.070 2.290 2.290 2.290 . 0 0 "[ ]" 1
875 1 66 ARG QB 1 84 GLN H . . 6.380 3.893 3.893 3.893 . 0 0 "[ ]" 1
876 1 66 ARG HB2 1 67 ASP H . . 3.140 2.020 2.020 2.020 . 0 0 "[ ]" 1
877 1 66 ARG HB2 1 83 ILE MG . . 4.390 2.322 2.322 2.322 . 0 0 "[ ]" 1
878 1 66 ARG HB3 1 67 ASP H . . 3.140 3.113 3.113 3.113 . 0 0 "[ ]" 1
879 1 66 ARG HB3 1 83 ILE MG . . 4.390 3.482 3.482 3.482 . 0 0 "[ ]" 1
880 1 66 ARG QD 1 67 ASP H . . 5.230 3.377 3.377 3.377 . 0 0 "[ ]" 1
881 1 66 ARG QD 1 83 ILE MG . . 6.250 2.185 2.185 2.185 . 0 0 "[ ]" 1
882 1 66 ARG QD 1 86 MET ME . . 6.220 3.750 3.750 3.750 . 0 0 "[ ]" 1
883 1 66 ARG QD 1 91 PHE QD . . 8.500 6.235 6.235 6.235 . 0 0 "[ ]" 1
884 1 66 ARG HD2 1 67 ASP H . . 5.500 4.837 4.837 4.837 . 0 0 "[ ]" 1
885 1 66 ARG HD2 1 83 ILE MG . . 6.530 3.464 3.464 3.464 . 0 0 "[ ]" 1
886 1 66 ARG HD2 1 86 MET ME . . 6.530 4.179 4.179 4.179 . 0 0 "[ ]" 1
887 1 66 ARG HD3 1 67 ASP H . . 5.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
888 1 66 ARG HD3 1 83 ILE MG . . 6.530 2.208 2.208 2.208 . 0 0 "[ ]" 1
889 1 66 ARG HD3 1 86 MET ME . . 6.530 4.243 4.243 4.243 . 0 0 "[ ]" 1
890 1 66 ARG QG 1 67 ASP H . . 4.410 4.129 4.129 4.129 . 0 0 "[ ]" 1
891 1 66 ARG HG2 1 67 ASP H . . 4.690 4.573 4.573 4.573 . 0 0 "[ ]" 1
892 1 66 ARG HG2 1 86 MET ME . . 5.720 1.921 1.921 1.921 . 0 0 "[ ]" 1
893 1 66 ARG HG3 1 67 ASP H . . 4.690 4.703 4.703 4.703 0.013 1 0 "[ ]" 1
894 1 66 ARG HG3 1 86 MET ME . . 5.720 3.191 3.191 3.191 . 0 0 "[ ]" 1
895 1 67 ASP H 1 67 ASP QB . . 2.390 2.771 2.771 2.771 0.381 1 0 "[ ]" 1
896 1 67 ASP H 1 68 VAL H . . 3.550 4.594 4.594 4.594 1.044 1 1 [+] 1
897 1 67 ASP H 1 83 ILE MG . . 5.040 3.057 3.057 3.057 . 0 0 "[ ]" 1
898 1 67 ASP H 1 84 GLN H . . 4.140 3.213 3.213 3.213 . 0 0 "[ ]" 1
899 1 67 ASP H 1 84 GLN QB . . 4.350 3.586 3.586 3.586 . 0 0 "[ ]" 1
900 1 67 ASP H 1 84 GLN O . . 2.000 2.379 2.379 2.379 0.379 1 0 "[ ]" 1
901 1 67 ASP HA 1 67 ASP QB . . 2.680 2.250 2.250 2.250 . 0 0 "[ ]" 1
902 1 67 ASP HA 1 68 VAL QG . . 7.810 3.782 3.782 3.782 . 0 0 "[ ]" 1
903 1 67 ASP QB 1 68 VAL H . . 2.920 2.838 2.838 2.838 . 0 0 "[ ]" 1
904 1 67 ASP QB 1 84 GLN H . . 4.660 2.020 2.020 2.020 . 0 0 "[ ]" 1
905 1 67 ASP QB 1 84 GLN QB . . 3.690 1.645 1.645 1.645 . 0 0 "[ ]" 1
906 1 67 ASP N 1 84 GLN O . . 3.000 3.340 3.340 3.340 0.340 1 0 "[ ]" 1
907 1 67 ASP O 1 84 GLN H . . 2.000 2.083 2.083 2.083 0.083 1 0 "[ ]" 1
908 1 67 ASP O 1 84 GLN N . . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
909 1 68 VAL H 1 68 VAL HB . . 2.800 2.693 2.693 2.693 . 0 0 "[ ]" 1
910 1 68 VAL H 1 68 VAL MG1 . . 4.640 3.711 3.711 3.711 . 0 0 "[ ]" 1
911 1 68 VAL H 1 68 VAL QG . . 4.020 3.098 3.098 3.098 . 0 0 "[ ]" 1
912 1 68 VAL H 1 68 VAL MG2 . . 4.640 3.318 3.318 3.318 . 0 0 "[ ]" 1
913 1 68 VAL H 1 69 GLU H . . 3.920 4.376 4.376 4.376 0.456 1 0 "[ ]" 1
914 1 68 VAL HA 1 68 VAL HB . . 3.020 3.000 3.000 3.000 . 0 0 "[ ]" 1
915 1 68 VAL HA 1 69 GLU H . . 2.520 2.351 2.351 2.351 . 0 0 "[ ]" 1
916 1 68 VAL HA 1 83 ILE HA . . 3.050 2.063 2.063 2.063 . 0 0 "[ ]" 1
917 1 68 VAL HA 1 84 GLN H . . 3.210 3.398 3.398 3.398 0.188 1 0 "[ ]" 1
918 1 68 VAL HB 1 69 GLU H . . 3.890 4.086 4.086 4.086 0.196 1 0 "[ ]" 1
919 1 68 VAL HB 1 83 ILE MD . . 6.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
920 1 68 VAL QG 1 69 GLU H . . 4.450 2.134 2.134 2.134 . 0 0 "[ ]" 1
921 1 68 VAL QG 1 81 ILE HB . . 7.900 2.428 2.428 2.428 . 0 0 "[ ]" 1
922 1 68 VAL QG 1 81 ILE MD . . 6.800 2.945 2.945 2.945 . 0 0 "[ ]" 1
923 1 68 VAL QG 1 83 ILE HA . . 5.260 2.789 2.789 2.789 . 0 0 "[ ]" 1
924 1 68 VAL QG 1 83 ILE MD . . 6.610 1.864 1.864 1.864 . 0 0 "[ ]" 1
925 1 68 VAL QG 1 83 ILE QG . . 8.960 2.077 2.077 2.077 . 0 0 "[ ]" 1
926 1 68 VAL QG 1 84 GLN H . . 6.690 3.820 3.820 3.820 . 0 0 "[ ]" 1
927 1 68 VAL MG1 1 69 GLU H . . 4.790 2.150 2.150 2.150 . 0 0 "[ ]" 1
928 1 68 VAL MG1 1 81 ILE MD . . 7.560 3.260 3.260 3.260 . 0 0 "[ ]" 1
929 1 68 VAL MG1 1 83 ILE HA . . 6.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
930 1 68 VAL MG1 1 83 ILE MD . . 7.340 3.583 3.583 3.583 . 0 0 "[ ]" 1
931 1 68 VAL MG2 1 69 GLU H . . 4.790 3.591 3.591 3.591 . 0 0 "[ ]" 1
932 1 68 VAL MG2 1 81 ILE MD . . 7.560 3.357 3.357 3.357 . 0 0 "[ ]" 1
933 1 68 VAL MG2 1 83 ILE HA . . 6.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
934 1 68 VAL MG2 1 83 ILE MD . . 7.340 1.871 1.871 1.871 . 0 0 "[ ]" 1
935 1 69 GLU H 1 69 GLU HB2 . . 4.200 3.364 3.364 3.364 . 0 0 "[ ]" 1
936 1 69 GLU H 1 69 GLU QB . . 3.820 3.196 3.196 3.196 . 0 0 "[ ]" 1
937 1 69 GLU H 1 69 GLU HB3 . . 4.200 3.992 3.992 3.992 . 0 0 "[ ]" 1
938 1 69 GLU H 1 70 ILE H . . 3.550 4.158 4.158 4.158 0.608 1 1 [+] 1
939 1 69 GLU H 1 81 ILE MD . . 6.530 5.117 5.117 5.117 . 0 0 "[ ]" 1
940 1 69 GLU H 1 81 ILE MG . . 5.470 4.618 4.618 4.618 . 0 0 "[ ]" 1
941 1 69 GLU H 1 82 ARG H . . 2.960 2.650 2.650 2.650 . 0 0 "[ ]" 1
942 1 69 GLU H 1 82 ARG HB2 . . 4.600 4.986 4.986 4.986 0.386 1 0 "[ ]" 1
943 1 69 GLU H 1 82 ARG QB . . 4.240 3.560 3.560 3.560 . 0 0 "[ ]" 1
944 1 69 GLU H 1 82 ARG HB3 . . 4.600 3.645 3.645 3.645 . 0 0 "[ ]" 1
945 1 69 GLU H 1 82 ARG O . . 2.000 2.157 2.157 2.157 0.157 1 0 "[ ]" 1
946 1 69 GLU H 1 83 ILE HA . . 4.380 3.715 3.715 3.715 . 0 0 "[ ]" 1
947 1 69 GLU HA 1 69 GLU HB2 . . 3.050 2.964 2.964 2.964 . 0 0 "[ ]" 1
948 1 69 GLU HA 1 69 GLU HB3 . . 3.050 2.287 2.287 2.287 . 0 0 "[ ]" 1
949 1 69 GLU QB 1 70 ILE H . . 3.230 3.184 3.184 3.184 . 0 0 "[ ]" 1
950 1 69 GLU QB 1 71 VAL QG . . 6.020 2.869 2.869 2.869 . 0 0 "[ ]" 1
951 1 69 GLU QB 1 82 ARG H . . 4.470 3.401 3.401 3.401 . 0 0 "[ ]" 1
952 1 69 GLU HB2 1 70 ILE H . . 3.450 3.759 3.759 3.759 0.309 1 0 "[ ]" 1
953 1 69 GLU HB2 1 71 VAL MG1 . . 7.660 4.809 4.809 4.809 . 0 0 "[ ]" 1
954 1 69 GLU HB2 1 71 VAL MG2 . . 7.660 2.945 2.945 2.945 . 0 0 "[ ]" 1
955 1 69 GLU HB2 1 82 ARG H . . 5.130 3.469 3.469 3.469 . 0 0 "[ ]" 1
956 1 69 GLU HB3 1 70 ILE H . . 3.450 3.439 3.439 3.439 . 0 0 "[ ]" 1
957 1 69 GLU HB3 1 71 VAL MG1 . . 7.660 6.002 6.002 6.002 . 0 0 "[ ]" 1
958 1 69 GLU HB3 1 71 VAL MG2 . . 7.660 4.290 4.290 4.290 . 0 0 "[ ]" 1
959 1 69 GLU HB3 1 82 ARG H . . 5.130 4.900 4.900 4.900 . 0 0 "[ ]" 1
960 1 69 GLU QG 1 70 ILE H . . 5.010 4.602 4.602 4.602 . 0 0 "[ ]" 1
961 1 69 GLU QG 1 82 ARG QD . . 7.250 3.754 3.754 3.754 . 0 0 "[ ]" 1
962 1 69 GLU N 1 82 ARG O . . 3.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
963 1 69 GLU O 1 82 ARG H . . 2.000 1.454 1.454 1.454 . 0 0 "[ ]" 1
964 1 69 GLU O 1 82 ARG N . . 3.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
965 1 70 ILE H 1 70 ILE HB . . 2.400 2.539 2.539 2.539 0.139 1 0 "[ ]" 1
966 1 70 ILE H 1 70 ILE MD . . 4.360 1.897 1.897 1.897 . 0 0 "[ ]" 1
967 1 70 ILE H 1 70 ILE HG12 . . 3.790 3.667 3.667 3.667 . 0 0 "[ ]" 1
968 1 70 ILE H 1 70 ILE QG . . 3.600 2.550 2.550 2.550 . 0 0 "[ ]" 1
969 1 70 ILE H 1 70 ILE HG13 . . 3.790 2.601 2.601 2.601 . 0 0 "[ ]" 1
970 1 70 ILE H 1 70 ILE MG . . 4.170 3.731 3.731 3.731 . 0 0 "[ ]" 1
971 1 70 ILE H 1 71 VAL H . . 3.640 4.448 4.448 4.448 0.808 1 1 [+] 1
972 1 70 ILE HA 1 70 ILE MG . . 3.710 2.380 2.380 2.380 . 0 0 "[ ]" 1
973 1 70 ILE HA 1 71 VAL H . . 2.460 2.178 2.178 2.178 . 0 0 "[ ]" 1
974 1 70 ILE HA 1 81 ILE HA . . 2.900 2.335 2.335 2.335 . 0 0 "[ ]" 1
975 1 70 ILE HA 1 81 ILE HB . . 5.500 4.147 4.147 4.147 . 0 0 "[ ]" 1
976 1 70 ILE HA 1 81 ILE MG . . 5.130 2.929 2.929 2.929 . 0 0 "[ ]" 1
977 1 70 ILE HA 1 82 ARG H . . 3.360 3.508 3.508 3.508 0.148 1 0 "[ ]" 1
978 1 70 ILE QG 1 81 ILE MG . . 6.540 2.835 2.835 2.835 . 0 0 "[ ]" 1
979 1 70 ILE MG 1 71 VAL H . . 4.790 2.945 2.945 2.945 . 0 0 "[ ]" 1
980 1 70 ILE MG 1 72 SER QB . . 5.700 4.028 4.028 4.028 . 0 0 "[ ]" 1
981 1 70 ILE MG 1 74 GLN H . . 6.530 3.831 3.831 3.831 . 0 0 "[ ]" 1
982 1 70 ILE MG 1 74 GLN HA . . 4.760 3.468 3.468 3.468 . 0 0 "[ ]" 1
983 1 70 ILE MG 1 74 GLN QE . . 7.400 4.588 4.588 4.588 . 0 0 "[ ]" 1
984 1 70 ILE MG 1 74 GLN HG2 . . 4.980 3.031 3.031 3.031 . 0 0 "[ ]" 1
985 1 70 ILE MG 1 74 GLN QG . . 4.600 2.969 2.969 2.969 . 0 0 "[ ]" 1
986 1 70 ILE MG 1 74 GLN HG3 . . 4.980 4.250 4.250 4.250 . 0 0 "[ ]" 1
987 1 70 ILE MG 1 79 LYS H . . 4.480 4.257 4.257 4.257 . 0 0 "[ ]" 1
988 1 70 ILE MG 1 79 LYS HA . . 5.100 4.449 4.449 4.449 . 0 0 "[ ]" 1
989 1 70 ILE MG 1 79 LYS HB2 . . 4.480 2.049 2.049 2.049 . 0 0 "[ ]" 1
990 1 70 ILE MG 1 79 LYS HB3 . . 4.480 3.068 3.068 3.068 . 0 0 "[ ]" 1
991 1 70 ILE MG 1 80 THR H . . 4.050 3.419 3.419 3.419 . 0 0 "[ ]" 1
992 1 70 ILE MG 1 81 ILE HA . . 4.200 3.960 3.960 3.960 . 0 0 "[ ]" 1
993 1 71 VAL H 1 71 VAL HB . . 2.860 2.724 2.724 2.724 . 0 0 "[ ]" 1
994 1 71 VAL H 1 71 VAL MG1 . . 4.390 3.808 3.808 3.808 . 0 0 "[ ]" 1
995 1 71 VAL H 1 71 VAL QG . . 3.630 2.214 2.214 2.214 . 0 0 "[ ]" 1
996 1 71 VAL H 1 71 VAL MG2 . . 4.390 2.228 2.228 2.228 . 0 0 "[ ]" 1
997 1 71 VAL H 1 72 SER H . . 2.650 4.037 4.037 4.037 1.387 1 1 [+] 1
998 1 71 VAL H 1 80 THR H . . 3.760 2.778 2.778 2.778 . 0 0 "[ ]" 1
999 1 71 VAL H 1 80 THR HB . . 5.220 3.923 3.923 3.923 . 0 0 "[ ]" 1
1000 1 71 VAL H 1 80 THR MG . . 5.070 3.686 3.686 3.686 . 0 0 "[ ]" 1
1001 1 71 VAL H 1 80 THR O . . 2.000 1.193 1.193 1.193 . 0 0 "[ ]" 1
1002 1 71 VAL H 1 81 ILE HA . . 2.990 2.718 2.718 2.718 . 0 0 "[ ]" 1
1003 1 71 VAL H 1 81 ILE MG . . 6.530 3.885 3.885 3.885 . 0 0 "[ ]" 1
1004 1 71 VAL H 1 82 ARG H . . 3.610 3.353 3.353 3.353 . 0 0 "[ ]" 1
1005 1 71 VAL HA 1 71 VAL HB . . 2.460 2.999 2.999 2.999 0.539 1 1 [+] 1
1006 1 71 VAL HA 1 71 VAL MG1 . . 3.610 2.193 2.193 2.193 . 0 0 "[ ]" 1
1007 1 71 VAL HA 1 71 VAL MG2 . . 3.610 2.586 2.586 2.586 . 0 0 "[ ]" 1
1008 1 71 VAL HA 1 72 SER H . . 2.800 3.117 3.117 3.117 0.317 1 0 "[ ]" 1
1009 1 71 VAL HB 1 72 SER H . . 2.960 2.052 2.052 2.052 . 0 0 "[ ]" 1
1010 1 71 VAL HB 1 80 THR H . . 4.880 3.043 3.043 3.043 . 0 0 "[ ]" 1
1011 1 71 VAL HB 1 80 THR HB . . 4.110 2.252 2.252 2.252 . 0 0 "[ ]" 1
1012 1 71 VAL HB 1 80 THR MG . . 4.170 2.209 2.209 2.209 . 0 0 "[ ]" 1
1013 1 71 VAL QG 1 72 SER H . . 3.850 1.898 1.898 1.898 . 0 0 "[ ]" 1
1014 1 71 VAL QG 1 80 THR HB . . 4.930 3.153 3.153 3.153 . 0 0 "[ ]" 1
1015 1 71 VAL QG 1 80 THR MG . . 7.130 2.386 2.386 2.386 . 0 0 "[ ]" 1
1016 1 71 VAL QG 1 81 ILE HA . . 7.310 3.051 3.051 3.051 . 0 0 "[ ]" 1
1017 1 71 VAL QG 1 82 ARG H . . 5.450 2.173 2.173 2.173 . 0 0 "[ ]" 1
1018 1 71 VAL QG 1 82 ARG HA . . 5.510 3.123 3.123 3.123 . 0 0 "[ ]" 1
1019 1 71 VAL QG 1 82 ARG QB . . 3.670 1.671 1.671 1.671 . 0 0 "[ ]" 1
1020 1 71 VAL QG 1 82 ARG QD . . 5.230 2.575 2.575 2.575 . 0 0 "[ ]" 1
1021 1 71 VAL MG1 1 72 SER H . . 4.730 1.904 1.904 1.904 . 0 0 "[ ]" 1
1022 1 71 VAL MG1 1 80 THR HB . . 5.970 3.410 3.410 3.410 . 0 0 "[ ]" 1
1023 1 71 VAL MG1 1 82 ARG HB2 . . 5.010 3.480 3.480 3.480 . 0 0 "[ ]" 1
1024 1 71 VAL MG1 1 82 ARG HB3 . . 5.010 4.006 4.006 4.006 . 0 0 "[ ]" 1
1025 1 71 VAL MG1 1 82 ARG QD . . 5.610 3.579 3.579 3.579 . 0 0 "[ ]" 1
1026 1 71 VAL MG2 1 72 SER H . . 4.730 3.603 3.603 3.603 . 0 0 "[ ]" 1
1027 1 71 VAL MG2 1 80 THR HB . . 5.970 3.713 3.713 3.713 . 0 0 "[ ]" 1
1028 1 71 VAL MG2 1 82 ARG HB2 . . 5.010 1.764 1.764 1.764 . 0 0 "[ ]" 1
1029 1 71 VAL MG2 1 82 ARG HB3 . . 5.010 2.093 2.093 2.093 . 0 0 "[ ]" 1
1030 1 71 VAL MG2 1 82 ARG QD . . 5.610 2.640 2.640 2.640 . 0 0 "[ ]" 1
1031 1 71 VAL N 1 80 THR O . . 3.000 2.099 2.099 2.099 . 0 0 "[ ]" 1
1032 1 71 VAL O 1 80 THR H . . 2.000 2.281 2.281 2.281 0.281 1 0 "[ ]" 1
1033 1 71 VAL O 1 80 THR N . . 3.000 3.230 3.230 3.230 0.230 1 0 "[ ]" 1
1034 1 72 SER H 1 72 SER HB2 . . 3.580 3.009 3.009 3.009 . 0 0 "[ ]" 1
1035 1 72 SER H 1 72 SER QB . . 3.080 2.854 2.854 2.854 . 0 0 "[ ]" 1
1036 1 72 SER H 1 72 SER HB3 . . 3.580 3.546 3.546 3.546 . 0 0 "[ ]" 1
1037 1 72 SER H 1 73 GLY H . . 4.850 4.516 4.516 4.516 . 0 0 "[ ]" 1
1038 1 72 SER H 1 79 LYS HA . . 5.190 4.855 4.855 4.855 . 0 0 "[ ]" 1
1039 1 72 SER H 1 79 LYS QB . . 5.700 4.200 4.200 4.200 . 0 0 "[ ]" 1
1040 1 72 SER H 1 80 THR H . . 3.110 3.196 3.196 3.196 0.086 1 0 "[ ]" 1
1041 1 72 SER H 1 80 THR HB . . 4.010 2.534 2.534 2.534 . 0 0 "[ ]" 1
1042 1 72 SER H 1 82 ARG H . . 5.100 6.394 6.394 6.394 1.294 1 1 [+] 1
1043 1 72 SER HA 1 79 LYS HA . . 2.590 4.040 4.040 4.040 1.450 1 1 [+] 1
1044 1 72 SER HA 1 80 THR HB . . 3.360 3.289 3.289 3.289 . 0 0 "[ ]" 1
1045 1 72 SER QB 1 80 THR H . . 4.850 1.731 1.731 1.731 . 0 0 "[ ]" 1
1046 1 72 SER HB2 1 73 GLY H . . 4.010 3.256 3.256 3.256 . 0 0 "[ ]" 1
1047 1 72 SER HB2 1 80 THR H . . 5.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
1048 1 72 SER HB2 1 80 THR MG . . 6.530 3.632 3.632 3.632 . 0 0 "[ ]" 1
1049 1 72 SER HB3 1 73 GLY H . . 4.010 1.880 1.880 1.880 . 0 0 "[ ]" 1
1050 1 72 SER HB3 1 80 THR H . . 5.500 1.798 1.798 1.798 . 0 0 "[ ]" 1
1051 1 72 SER HB3 1 80 THR MG . . 6.530 4.651 4.651 4.651 . 0 0 "[ ]" 1
1052 1 73 GLY H 1 74 GLN H . . 4.790 3.766 3.766 3.766 . 0 0 "[ ]" 1
1053 1 73 GLY QA 1 74 GLN QE . . 7.240 5.502 5.502 5.502 . 0 0 "[ ]" 1
1054 1 73 GLY QA 1 75 LYS H . . 4.860 3.048 3.048 3.048 . 0 0 "[ ]" 1
1055 1 73 GLY QA 1 79 LYS HA . . 4.020 3.891 3.891 3.891 . 0 0 "[ ]" 1
1056 1 74 GLN H 1 74 GLN HB2 . . 3.450 3.442 3.442 3.442 . 0 0 "[ ]" 1
1057 1 74 GLN H 1 74 GLN QB . . 3.060 2.836 2.836 2.836 . 0 0 "[ ]" 1
1058 1 74 GLN H 1 74 GLN HB3 . . 3.450 3.019 3.019 3.019 . 0 0 "[ ]" 1
1059 1 74 GLN H 1 74 GLN HG2 . . 5.500 1.929 1.929 1.929 . 0 0 "[ ]" 1
1060 1 74 GLN H 1 74 GLN HG3 . . 5.500 1.895 1.895 1.895 . 0 0 "[ ]" 1
1061 1 74 GLN HA 1 74 GLN HB2 . . 2.930 2.716 2.716 2.716 . 0 0 "[ ]" 1
1062 1 74 GLN HA 1 74 GLN HB3 . . 2.930 2.288 2.288 2.288 . 0 0 "[ ]" 1
1063 1 74 GLN HA 1 74 GLN HG2 . . 3.830 3.616 3.616 3.616 . 0 0 "[ ]" 1
1064 1 74 GLN HA 1 74 GLN QG . . 3.570 3.222 3.222 3.222 . 0 0 "[ ]" 1
1065 1 74 GLN HA 1 74 GLN HG3 . . 3.830 3.618 3.618 3.618 . 0 0 "[ ]" 1
1066 1 74 GLN HG2 1 75 LYS QG . . 6.380 4.321 4.321 4.321 . 0 0 "[ ]" 1
1067 1 74 GLN HG3 1 75 LYS QG . . 6.380 2.847 2.847 2.847 . 0 0 "[ ]" 1
1068 1 75 LYS H 1 75 LYS HB2 . . 3.270 2.834 2.834 2.834 . 0 0 "[ ]" 1
1069 1 75 LYS H 1 75 LYS HB3 . . 3.270 3.487 3.487 3.487 0.217 1 0 "[ ]" 1
1070 1 75 LYS H 1 76 SER H . . 3.270 2.809 2.809 2.809 . 0 0 "[ ]" 1
1071 1 75 LYS H 1 77 ARG H . . 5.410 3.980 3.980 3.980 . 0 0 "[ ]" 1
1072 1 75 LYS HA 1 75 LYS HB2 . . 2.710 3.008 3.008 3.008 0.298 1 0 "[ ]" 1
1073 1 75 LYS HA 1 75 LYS HB3 . . 2.710 2.334 2.334 2.334 . 0 0 "[ ]" 1
1074 1 75 LYS QB 1 76 SER H . . 3.510 2.797 2.797 2.797 . 0 0 "[ ]" 1
1075 1 75 LYS HB2 1 76 SER H . . 3.890 2.848 2.848 2.848 . 0 0 "[ ]" 1
1076 1 75 LYS HB3 1 76 SER H . . 3.890 4.085 4.085 4.085 0.195 1 0 "[ ]" 1
1077 1 75 LYS QG 1 76 SER H . . 6.380 3.682 3.682 3.682 . 0 0 "[ ]" 1
1078 1 75 LYS QG 1 79 LYS QG . . 6.510 5.345 5.345 5.345 . 0 0 "[ ]" 1
1079 1 76 SER H 1 76 SER QB . . 3.740 2.253 2.253 2.253 . 0 0 "[ ]" 1
1080 1 76 SER H 1 77 ARG H . . 4.450 2.611 2.611 2.611 . 0 0 "[ ]" 1
1081 1 76 SER H 1 78 GLN H . . 5.410 4.056 4.056 4.056 . 0 0 "[ ]" 1
1082 1 76 SER QB 1 77 ARG QB . . 6.540 4.390 4.390 4.390 . 0 0 "[ ]" 1
1083 1 76 SER QB 1 78 GLN H . . 4.210 2.785 2.785 2.785 . 0 0 "[ ]" 1
1084 1 77 ARG H 1 77 ARG QB . . 3.830 3.043 3.043 3.043 . 0 0 "[ ]" 1
1085 1 77 ARG H 1 77 ARG HG2 . . 4.880 4.340 4.340 4.340 . 0 0 "[ ]" 1
1086 1 77 ARG H 1 77 ARG QG . . 4.480 4.022 4.022 4.022 . 0 0 "[ ]" 1
1087 1 77 ARG H 1 77 ARG HG3 . . 4.880 4.756 4.756 4.756 . 0 0 "[ ]" 1
1088 1 77 ARG H 1 78 GLN H . . 3.080 3.450 3.450 3.450 0.370 1 0 "[ ]" 1
1089 1 77 ARG QB 1 78 GLN H . . 4.360 3.145 3.145 3.145 . 0 0 "[ ]" 1
1090 1 77 ARG QG 1 78 GLN H . . 5.670 1.907 1.907 1.907 . 0 0 "[ ]" 1
1091 1 78 GLN H 1 78 GLN HB2 . . 3.050 2.066 2.066 2.066 . 0 0 "[ ]" 1
1092 1 78 GLN H 1 78 GLN QB . . 2.690 2.047 2.047 2.047 . 0 0 "[ ]" 1
1093 1 78 GLN H 1 78 GLN HB3 . . 3.050 3.320 3.320 3.320 0.270 1 0 "[ ]" 1
1094 1 78 GLN H 1 78 GLN QG . . 4.400 3.468 3.468 3.468 . 0 0 "[ ]" 1
1095 1 78 GLN H 1 79 LYS H . . 4.480 4.441 4.441 4.441 . 0 0 "[ ]" 1
1096 1 78 GLN QG 1 79 LYS H . . 4.520 3.665 3.665 3.665 . 0 0 "[ ]" 1
1097 1 79 LYS H 1 79 LYS HB2 . . 3.670 3.531 3.531 3.531 . 0 0 "[ ]" 1
1098 1 79 LYS H 1 79 LYS QB . . 3.230 3.245 3.245 3.245 0.015 1 0 "[ ]" 1
1099 1 79 LYS H 1 79 LYS HB3 . . 3.670 3.783 3.783 3.783 0.113 1 0 "[ ]" 1
1100 1 79 LYS H 1 79 LYS QG . . 4.490 2.663 2.663 2.663 . 0 0 "[ ]" 1
1101 1 79 LYS H 1 80 THR H . . 2.990 4.291 4.291 4.291 1.301 1 1 [+] 1
1102 1 79 LYS HA 1 79 LYS HG2 . . 4.110 4.113 4.113 4.113 0.003 1 0 "[ ]" 1
1103 1 79 LYS HA 1 79 LYS QG . . 3.840 3.179 3.179 3.179 . 0 0 "[ ]" 1
1104 1 79 LYS HA 1 79 LYS HG3 . . 4.110 3.309 3.309 3.309 . 0 0 "[ ]" 1
1105 1 79 LYS HA 1 80 THR H . . 2.620 2.824 2.824 2.824 0.204 1 0 "[ ]" 1
1106 1 79 LYS QB 1 80 THR H . . 3.360 1.950 1.950 1.950 . 0 0 "[ ]" 1
1107 1 79 LYS HB2 1 80 THR H . . 3.920 1.978 1.978 1.978 . 0 0 "[ ]" 1
1108 1 79 LYS HB3 1 80 THR H . . 3.920 2.961 2.961 2.961 . 0 0 "[ ]" 1
1109 1 79 LYS QG 1 80 THR H . . 4.160 4.082 4.082 4.082 . 0 0 "[ ]" 1
1110 1 79 LYS HG2 1 80 THR H . . 4.480 4.472 4.472 4.472 . 0 0 "[ ]" 1
1111 1 79 LYS HG3 1 80 THR H . . 4.480 4.713 4.713 4.713 0.233 1 0 "[ ]" 1
1112 1 80 THR H 1 80 THR HB . . 2.680 2.446 2.446 2.446 . 0 0 "[ ]" 1
1113 1 80 THR H 1 80 THR MG . . 4.110 3.641 3.641 3.641 . 0 0 "[ ]" 1
1114 1 80 THR H 1 81 ILE H . . 4.010 4.322 4.322 4.322 0.312 1 0 "[ ]" 1
1115 1 80 THR HA 1 81 ILE H . . 2.490 2.158 2.158 2.158 . 0 0 "[ ]" 1
1116 1 80 THR HB 1 81 ILE H . . 3.950 4.532 4.532 4.532 0.582 1 1 [+] 1
1117 1 80 THR MG 1 81 ILE H . . 6.220 2.727 2.727 2.727 . 0 0 "[ ]" 1
1118 1 81 ILE H 1 81 ILE HB . . 3.020 3.593 3.593 3.593 0.573 1 1 [+] 1
1119 1 81 ILE H 1 81 ILE HG12 . . 3.110 2.084 2.084 2.084 . 0 0 "[ ]" 1
1120 1 81 ILE H 1 81 ILE QG . . 2.770 2.047 2.047 2.047 . 0 0 "[ ]" 1
1121 1 81 ILE H 1 81 ILE HG13 . . 3.110 2.993 2.993 2.993 . 0 0 "[ ]" 1
1122 1 81 ILE HA 1 81 ILE HB . . 2.900 2.413 2.413 2.413 . 0 0 "[ ]" 1
1123 1 81 ILE HA 1 82 ARG H . . 2.590 2.178 2.178 2.178 . 0 0 "[ ]" 1
1124 1 81 ILE HB 1 81 ILE QG . . 2.710 2.405 2.405 2.405 . 0 0 "[ ]" 1
1125 1 81 ILE HB 1 82 ARG H . . 2.960 3.631 3.631 3.631 0.671 1 1 [+] 1
1126 1 81 ILE MD 1 82 ARG H . . 6.530 5.146 5.146 5.146 . 0 0 "[ ]" 1
1127 1 81 ILE MD 1 83 ILE MD . . 7.560 2.709 2.709 2.709 . 0 0 "[ ]" 1
1128 1 81 ILE QG 1 82 ARG H . . 3.870 4.210 4.210 4.210 0.340 1 0 "[ ]" 1
1129 1 81 ILE MG 1 82 ARG H . . 4.760 4.167 4.167 4.167 . 0 0 "[ ]" 1
1130 1 82 ARG H 1 82 ARG HB2 . . 2.990 2.954 2.954 2.954 . 0 0 "[ ]" 1
1131 1 82 ARG H 1 82 ARG QB . . 2.730 2.246 2.246 2.246 . 0 0 "[ ]" 1
1132 1 82 ARG H 1 82 ARG HB3 . . 2.990 2.328 2.328 2.328 . 0 0 "[ ]" 1
1133 1 82 ARG H 1 82 ARG QG . . 4.300 3.882 3.882 3.882 . 0 0 "[ ]" 1
1134 1 82 ARG HA 1 82 ARG HG2 . . 3.210 3.235 3.235 3.235 0.025 1 0 "[ ]" 1
1135 1 82 ARG HA 1 82 ARG QG . . 2.910 2.590 2.590 2.590 . 0 0 "[ ]" 1
1136 1 82 ARG HA 1 82 ARG HG3 . . 3.210 2.726 2.726 2.726 . 0 0 "[ ]" 1
1137 1 82 ARG HA 1 83 ILE H . . 2.520 2.225 2.225 2.225 . 0 0 "[ ]" 1
1138 1 82 ARG QB 1 83 ILE H . . 3.590 3.916 3.916 3.916 0.326 1 0 "[ ]" 1
1139 1 82 ARG QD 1 83 ILE H . . 6.380 5.061 5.061 5.061 . 0 0 "[ ]" 1
1140 1 82 ARG QG 1 83 ILE H . . 4.180 3.005 3.005 3.005 . 0 0 "[ ]" 1
1141 1 83 ILE H 1 83 ILE HB . . 2.770 2.618 2.618 2.618 . 0 0 "[ ]" 1
1142 1 83 ILE H 1 83 ILE MD . . 5.100 3.968 3.968 3.968 . 0 0 "[ ]" 1
1143 1 83 ILE H 1 83 ILE QG . . 4.800 2.326 2.326 2.326 . 0 0 "[ ]" 1
1144 1 83 ILE H 1 83 ILE MG . . 3.680 3.800 3.800 3.800 0.120 1 0 "[ ]" 1
1145 1 83 ILE H 1 84 GLN H . . 4.420 4.518 4.518 4.518 0.098 1 0 "[ ]" 1
1146 1 83 ILE HA 1 83 ILE MG . . 3.710 2.340 2.340 2.340 . 0 0 "[ ]" 1
1147 1 83 ILE HA 1 84 GLN H . . 2.400 2.213 2.213 2.213 . 0 0 "[ ]" 1
1148 1 83 ILE HA 1 84 GLN QB . . 3.740 4.012 4.012 4.012 0.272 1 0 "[ ]" 1
1149 1 83 ILE HB 1 84 GLN H . . 3.950 4.068 4.068 4.068 0.118 1 0 "[ ]" 1
1150 1 83 ILE HB 1 86 MET QG . . 6.380 2.290 2.290 2.290 . 0 0 "[ ]" 1
1151 1 83 ILE MD 1 84 GLN H . . 6.530 4.807 4.807 4.807 . 0 0 "[ ]" 1
1152 1 83 ILE MD 1 86 MET ME . . 7.560 3.408 3.408 3.408 . 0 0 "[ ]" 1
1153 1 83 ILE MD 1 86 MET HG2 . . 6.530 3.247 3.247 3.247 . 0 0 "[ ]" 1
1154 1 83 ILE MD 1 86 MET HG3 . . 6.530 4.232 4.232 4.232 . 0 0 "[ ]" 1
1155 1 83 ILE MD 1 91 PHE H . . 6.530 4.757 4.757 4.757 . 0 0 "[ ]" 1
1156 1 83 ILE MD 1 91 PHE QD . . 8.650 2.402 2.402 2.402 . 0 0 "[ ]" 1
1157 1 83 ILE QG 1 84 GLN H . . 6.380 4.430 4.430 4.430 . 0 0 "[ ]" 1
1158 1 83 ILE MG 1 84 GLN H . . 3.920 2.416 2.416 2.416 . 0 0 "[ ]" 1
1159 1 83 ILE MG 1 86 MET H . . 5.720 3.224 3.224 3.224 . 0 0 "[ ]" 1
1160 1 83 ILE MG 1 86 MET HB2 . . 4.260 2.516 2.516 2.516 . 0 0 "[ ]" 1
1161 1 83 ILE MG 1 86 MET QB . . 3.950 1.739 1.739 1.739 . 0 0 "[ ]" 1
1162 1 83 ILE MG 1 86 MET HB3 . . 4.260 1.773 1.773 1.773 . 0 0 "[ ]" 1
1163 1 83 ILE MG 1 86 MET ME . . 6.660 3.027 3.027 3.027 . 0 0 "[ ]" 1
1164 1 83 ILE MG 1 86 MET HG2 . . 6.530 2.710 2.710 2.710 . 0 0 "[ ]" 1
1165 1 83 ILE MG 1 86 MET QG . . 6.100 2.640 2.640 2.640 . 0 0 "[ ]" 1
1166 1 83 ILE MG 1 86 MET HG3 . . 6.530 3.637 3.637 3.637 . 0 0 "[ ]" 1
1167 1 83 ILE MG 1 91 PHE H . . 6.530 5.300 5.300 5.300 . 0 0 "[ ]" 1
1168 1 84 GLN H 1 84 GLN QB . . 2.740 2.369 2.369 2.369 . 0 0 "[ ]" 1
1169 1 84 GLN H 1 84 GLN QG . . 4.580 4.017 4.017 4.017 . 0 0 "[ ]" 1
1170 1 84 GLN H 1 85 GLY H . . 3.670 4.527 4.527 4.527 0.857 1 1 [+] 1
1171 1 84 GLN HA 1 84 GLN QB . . 2.570 2.414 2.414 2.414 . 0 0 "[ ]" 1
1172 1 84 GLN HA 1 84 GLN HG2 . . 3.610 2.833 2.833 2.833 . 0 0 "[ ]" 1
1173 1 84 GLN HA 1 84 GLN QG . . 3.350 2.407 2.407 2.407 . 0 0 "[ ]" 1
1174 1 84 GLN HA 1 84 GLN HG3 . . 3.610 2.604 2.604 2.604 . 0 0 "[ ]" 1
1175 1 84 GLN HA 1 85 GLY H . . 2.400 2.267 2.267 2.267 . 0 0 "[ ]" 1
1176 1 84 GLN HA 1 85 GLY QA . . 3.380 3.985 3.985 3.985 0.605 1 1 [+] 1
1177 1 84 GLN HA 1 86 MET H . . 3.270 3.169 3.169 3.169 . 0 0 "[ ]" 1
1178 1 84 GLN QB 1 85 GLY H . . 3.320 3.693 3.693 3.693 0.373 1 0 "[ ]" 1
1179 1 84 GLN QG 1 85 GLY H . . 4.030 2.382 2.382 2.382 . 0 0 "[ ]" 1
1180 1 84 GLN HG2 1 85 GLY H . . 4.230 2.459 2.459 2.459 . 0 0 "[ ]" 1
1181 1 84 GLN HG3 1 85 GLY H . . 4.230 3.188 3.188 3.188 . 0 0 "[ ]" 1
1182 1 85 GLY H 1 85 GLY QA . . 2.560 2.195 2.195 2.195 . 0 0 "[ ]" 1
1183 1 85 GLY H 1 86 MET H . . 2.860 2.619 2.619 2.619 . 0 0 "[ ]" 1
1184 1 85 GLY QA 1 86 MET H . . 2.840 2.988 2.988 2.988 0.148 1 0 "[ ]" 1
1185 1 86 MET H 1 86 MET HB2 . . 3.050 3.365 3.365 3.365 0.315 1 0 "[ ]" 1
1186 1 86 MET H 1 86 MET QB . . 2.860 2.230 2.230 2.230 . 0 0 "[ ]" 1
1187 1 86 MET H 1 86 MET HB3 . . 3.050 2.263 2.263 2.263 . 0 0 "[ ]" 1
1188 1 86 MET H 1 86 MET ME . . 5.380 4.669 4.669 4.669 . 0 0 "[ ]" 1
1189 1 86 MET H 1 86 MET HG2 . . 4.170 3.745 3.745 3.745 . 0 0 "[ ]" 1
1190 1 86 MET H 1 86 MET QG . . 3.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
1191 1 86 MET H 1 86 MET HG3 . . 4.170 4.201 4.201 4.201 0.031 1 0 "[ ]" 1
1192 1 86 MET H 1 87 GLY H . . 3.580 4.527 4.527 4.527 0.947 1 1 [+] 1
1193 1 86 MET H 1 90 LEU QD . . 7.630 4.108 4.108 4.108 . 0 0 "[ ]" 1
1194 1 86 MET HA 1 86 MET ME . . 6.190 2.969 2.969 2.969 . 0 0 "[ ]" 1
1195 1 86 MET QB 1 87 GLY H . . 3.170 3.195 3.195 3.195 0.025 1 0 "[ ]" 1
1196 1 86 MET HB2 1 87 GLY H . . 3.480 3.368 3.368 3.368 . 0 0 "[ ]" 1
1197 1 86 MET HB3 1 87 GLY H . . 3.480 3.972 3.972 3.972 0.492 1 0 "[ ]" 1
1198 1 86 MET ME 1 87 GLY H . . 6.530 2.879 2.879 2.879 . 0 0 "[ ]" 1
1199 1 86 MET ME 1 90 LEU HG . . 4.330 3.529 3.529 3.529 . 0 0 "[ ]" 1
1200 1 86 MET ME 1 91 PHE H . . 5.470 2.727 2.727 2.727 . 0 0 "[ ]" 1
1201 1 86 MET ME 1 91 PHE HA . . 4.170 2.796 2.796 2.796 . 0 0 "[ ]" 1
1202 1 86 MET ME 1 91 PHE QD . . 8.650 4.609 4.609 4.609 . 0 0 "[ ]" 1
1203 1 86 MET QG 1 87 GLY H . . 4.240 1.528 1.528 1.528 . 0 0 "[ ]" 1
1204 1 86 MET QG 1 90 LEU HG . . 4.610 3.105 3.105 3.105 . 0 0 "[ ]" 1
1205 1 86 MET QG 1 91 PHE H . . 4.650 3.040 3.040 3.040 . 0 0 "[ ]" 1
1206 1 86 MET QG 1 91 PHE QB . . 5.940 3.295 3.295 3.295 . 0 0 "[ ]" 1
1207 1 86 MET QG 1 91 PHE QD . . 8.500 4.545 4.545 4.545 . 0 0 "[ ]" 1
1208 1 86 MET HG2 1 87 GLY H . . 4.760 3.137 3.137 3.137 . 0 0 "[ ]" 1
1209 1 86 MET HG2 1 91 PHE H . . 5.160 4.102 4.102 4.102 . 0 0 "[ ]" 1
1210 1 86 MET HG2 1 91 PHE QB . . 6.380 3.677 3.677 3.677 . 0 0 "[ ]" 1
1211 1 86 MET HG3 1 87 GLY H . . 4.760 1.531 1.531 1.531 . 0 0 "[ ]" 1
1212 1 86 MET HG3 1 91 PHE H . . 5.160 3.134 3.134 3.134 . 0 0 "[ ]" 1
1213 1 86 MET HG3 1 91 PHE QB . . 6.380 3.722 3.722 3.722 . 0 0 "[ ]" 1
1214 1 87 GLY H 1 87 GLY HA2 . . 2.930 2.956 2.956 2.956 0.026 1 0 "[ ]" 1
1215 1 87 GLY H 1 87 GLY QA . . 2.650 2.382 2.382 2.382 . 0 0 "[ ]" 1
1216 1 87 GLY H 1 87 GLY HA3 . . 2.930 2.513 2.513 2.513 . 0 0 "[ ]" 1
1217 1 87 GLY H 1 88 ARG H . . 3.730 4.188 4.188 4.188 0.458 1 0 "[ ]" 1
1218 1 87 GLY H 1 90 LEU H . . 4.910 3.383 3.383 3.383 . 0 0 "[ ]" 1
1219 1 87 GLY H 1 90 LEU QB . . 4.300 2.056 2.056 2.056 . 0 0 "[ ]" 1
1220 1 87 GLY H 1 90 LEU HG . . 3.830 1.816 1.816 1.816 . 0 0 "[ ]" 1
1221 1 87 GLY H 1 91 PHE H . . 3.730 3.654 3.654 3.654 . 0 0 "[ ]" 1
1222 1 87 GLY QA 1 88 ARG H . . 2.460 2.262 2.262 2.262 . 0 0 "[ ]" 1
1223 1 87 GLY QA 1 89 ASP H . . 5.730 3.988 3.988 3.988 . 0 0 "[ ]" 1
1224 1 87 GLY QA 1 90 LEU H . . 4.400 3.582 3.582 3.582 . 0 0 "[ ]" 1
1225 1 87 GLY HA2 1 88 ARG H . . 2.680 2.933 2.933 2.933 0.253 1 0 "[ ]" 1
1226 1 87 GLY HA3 1 88 ARG H . . 2.680 2.353 2.353 2.353 . 0 0 "[ ]" 1
1227 1 88 ARG H 1 88 ARG HB2 . . 2.680 2.180 2.180 2.180 . 0 0 "[ ]" 1
1228 1 88 ARG H 1 88 ARG HB3 . . 2.680 2.944 2.944 2.944 0.264 1 0 "[ ]" 1
1229 1 88 ARG H 1 89 ASP H . . 2.830 2.607 2.607 2.607 . 0 0 "[ ]" 1
1230 1 88 ARG H 1 90 LEU H . . 4.790 3.681 3.681 3.681 . 0 0 "[ ]" 1
1231 1 88 ARG HA 1 88 ARG HB2 . . 3.020 2.758 2.758 2.758 . 0 0 "[ ]" 1
1232 1 88 ARG HA 1 88 ARG QB . . 2.690 2.548 2.548 2.548 . 0 0 "[ ]" 1
1233 1 88 ARG HA 1 88 ARG HB3 . . 3.020 2.995 2.995 2.995 . 0 0 "[ ]" 1
1234 1 88 ARG HA 1 88 ARG QG . . 3.740 2.179 2.179 2.179 . 0 0 "[ ]" 1
1235 1 88 ARG HA 1 89 ASP H . . 3.140 3.649 3.649 3.649 0.509 1 1 [+] 1
1236 1 88 ARG HA 1 91 PHE QB . . 4.610 3.003 3.003 3.003 . 0 0 "[ ]" 1
1237 1 88 ARG HA 1 92 LEU H . . 4.820 4.076 4.076 4.076 . 0 0 "[ ]" 1
1238 1 88 ARG QB 1 89 ASP QB . . 7.190 4.256 4.256 4.256 . 0 0 "[ ]" 1
1239 1 88 ARG HB2 1 89 ASP H . . 2.740 3.198 3.198 3.198 0.458 1 0 "[ ]" 1
1240 1 88 ARG HB3 1 89 ASP H . . 2.740 2.266 2.266 2.266 . 0 0 "[ ]" 1
1241 1 88 ARG QD 1 89 ASP H . . 6.380 4.490 4.490 4.490 . 0 0 "[ ]" 1
1242 1 88 ARG QD 1 92 LEU QD . . 7.950 3.866 3.866 3.866 . 0 0 "[ ]" 1
1243 1 88 ARG QD 1 92 LEU HG . . 6.380 5.541 5.541 5.541 . 0 0 "[ ]" 1
1244 1 88 ARG QG 1 89 ASP H . . 4.430 4.035 4.035 4.035 . 0 0 "[ ]" 1
1245 1 88 ARG O 1 92 LEU H . . 2.000 1.814 1.814 1.814 . 0 0 "[ ]" 1
1246 1 88 ARG O 1 92 LEU N . . 3.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
1247 1 89 ASP H 1 89 ASP HA . . 2.620 2.690 2.690 2.690 0.070 1 0 "[ ]" 1
1248 1 89 ASP H 1 89 ASP QB . . 3.460 2.500 2.500 2.500 . 0 0 "[ ]" 1
1249 1 89 ASP H 1 90 LEU H . . 2.830 2.802 2.802 2.802 . 0 0 "[ ]" 1
1250 1 89 ASP H 1 91 PHE QB . . 6.220 5.273 5.273 5.273 . 0 0 "[ ]" 1
1251 1 89 ASP HA 1 92 LEU HB2 . . 3.170 2.612 2.612 2.612 . 0 0 "[ ]" 1
1252 1 89 ASP HA 1 92 LEU QB . . 2.830 2.515 2.515 2.515 . 0 0 "[ ]" 1
1253 1 89 ASP HA 1 92 LEU HB3 . . 3.170 3.280 3.280 3.280 0.110 1 0 "[ ]" 1
1254 1 89 ASP HA 1 93 LYS H . . 2.990 3.560 3.560 3.560 0.570 1 1 [+] 1
1255 1 89 ASP QB 1 90 LEU H . . 3.830 2.573 2.573 2.573 . 0 0 "[ ]" 1
1256 1 89 ASP QB 1 90 LEU QB . . 6.380 4.537 4.537 4.537 . 0 0 "[ ]" 1
1257 1 89 ASP QB 1 92 LEU QD . . 8.510 4.758 4.758 4.758 . 0 0 "[ ]" 1
1258 1 89 ASP O 1 93 LYS H . . 2.000 1.421 1.421 1.421 . 0 0 "[ ]" 1
1259 1 89 ASP O 1 93 LYS N . . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
1260 1 90 LEU H 1 90 LEU HA . . 2.650 2.761 2.761 2.761 0.111 1 0 "[ ]" 1
1261 1 90 LEU H 1 90 LEU QB . . 2.460 2.622 2.622 2.622 0.162 1 0 "[ ]" 1
1262 1 90 LEU H 1 90 LEU HG . . 3.020 2.107 2.107 2.107 . 0 0 "[ ]" 1
1263 1 90 LEU H 1 91 PHE H . . 2.960 3.021 3.021 3.021 0.061 1 0 "[ ]" 1
1264 1 90 LEU H 1 91 PHE QB . . 4.890 4.440 4.440 4.440 . 0 0 "[ ]" 1
1265 1 90 LEU HA 1 90 LEU QB . . 2.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
1266 1 90 LEU HA 1 91 PHE H . . 3.270 3.639 3.639 3.639 0.369 1 0 "[ ]" 1
1267 1 90 LEU HA 1 93 LYS H . . 3.950 3.453 3.453 3.453 . 0 0 "[ ]" 1
1268 1 90 LEU HA 1 93 LYS QB . . 2.710 2.553 2.553 2.553 . 0 0 "[ ]" 1
1269 1 90 LEU HA 1 94 LEU H . . 4.760 4.126 4.126 4.126 . 0 0 "[ ]" 1
1270 1 90 LEU QB 1 90 LEU HG . . 2.630 2.245 2.245 2.245 . 0 0 "[ ]" 1
1271 1 90 LEU QB 1 91 PHE H . . 2.530 2.117 2.117 2.117 . 0 0 "[ ]" 1
1272 1 90 LEU QD 1 91 PHE QB . . 8.510 4.782 4.782 4.782 . 0 0 "[ ]" 1
1273 1 90 LEU QD 1 93 LYS H . . 7.140 4.549 4.549 4.549 . 0 0 "[ ]" 1
1274 1 90 LEU QD 1 93 LYS QB . . 6.140 3.474 3.474 3.474 . 0 0 "[ ]" 1
1275 1 90 LEU HG 1 91 PHE H . . 3.330 3.840 3.840 3.840 0.510 1 1 [+] 1
1276 1 90 LEU O 1 94 LEU H . . 2.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
1277 1 90 LEU O 1 94 LEU N . . 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
1278 1 91 PHE H 1 91 PHE HA . . 2.710 2.725 2.725 2.725 0.015 1 0 "[ ]" 1
1279 1 91 PHE H 1 91 PHE QB . . 3.560 2.101 2.101 2.101 . 0 0 "[ ]" 1
1280 1 91 PHE H 1 92 LEU H . . 2.800 2.880 2.880 2.880 0.080 1 0 "[ ]" 1
1281 1 91 PHE HA 1 94 LEU QB . . 4.580 3.063 3.063 3.063 . 0 0 "[ ]" 1
1282 1 91 PHE QB 1 92 LEU H . . 4.140 2.440 2.440 2.440 . 0 0 "[ ]" 1
1283 1 91 PHE QB 1 93 LYS H . . 5.510 4.670 4.670 4.670 . 0 0 "[ ]" 1
1284 1 91 PHE QD 1 92 LEU H . . 7.620 2.880 2.880 2.880 . 0 0 "[ ]" 1
1285 1 91 PHE QD 1 92 LEU QD . . 9.750 3.398 3.398 3.398 . 0 0 "[ ]" 1
1286 1 91 PHE QD 1 95 VAL QG . . 9.960 2.842 2.842 2.842 . 0 0 "[ ]" 1
1287 1 91 PHE QD 1 103 ILE MD . . 8.650 3.806 3.806 3.806 . 0 0 "[ ]" 1
1288 1 91 PHE O 1 95 VAL H . . 2.000 2.054 2.054 2.054 0.054 1 0 "[ ]" 1
1289 1 91 PHE O 1 95 VAL N . . 3.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
1290 1 92 LEU H 1 92 LEU HB2 . . 3.110 1.996 1.996 1.996 . 0 0 "[ ]" 1
1291 1 92 LEU H 1 92 LEU QB . . 2.660 1.978 1.978 1.978 . 0 0 "[ ]" 1
1292 1 92 LEU H 1 92 LEU HB3 . . 3.110 3.234 3.234 3.234 0.124 1 0 "[ ]" 1
1293 1 92 LEU H 1 92 LEU HG . . 2.900 3.460 3.460 3.460 0.560 1 1 [+] 1
1294 1 92 LEU H 1 93 LYS H . . 2.520 2.637 2.637 2.637 0.117 1 0 "[ ]" 1
1295 1 92 LEU HA 1 92 LEU HB2 . . 2.930 2.875 2.875 2.875 . 0 0 "[ ]" 1
1296 1 92 LEU HA 1 92 LEU QB . . 2.590 2.537 2.537 2.537 . 0 0 "[ ]" 1
1297 1 92 LEU HA 1 92 LEU HB3 . . 2.930 2.822 2.822 2.822 . 0 0 "[ ]" 1
1298 1 92 LEU HA 1 92 LEU HG . . 2.400 2.578 2.578 2.578 0.178 1 0 "[ ]" 1
1299 1 92 LEU HA 1 93 LYS H . . 3.610 3.612 3.612 3.612 0.002 1 0 "[ ]" 1
1300 1 92 LEU QB 1 92 LEU HG . . 2.450 2.355 2.355 2.355 . 0 0 "[ ]" 1
1301 1 92 LEU QB 1 93 LYS H . . 3.090 2.733 2.733 2.733 . 0 0 "[ ]" 1
1302 1 92 LEU HB2 1 92 LEU HG . . 2.710 2.455 2.455 2.455 . 0 0 "[ ]" 1
1303 1 92 LEU HB2 1 93 LYS H . . 3.390 3.122 3.122 3.122 . 0 0 "[ ]" 1
1304 1 92 LEU HB3 1 92 LEU HG . . 2.710 3.031 3.031 3.031 0.321 1 0 "[ ]" 1
1305 1 92 LEU HB3 1 93 LYS H . . 3.390 3.019 3.019 3.019 . 0 0 "[ ]" 1
1306 1 92 LEU QD 1 93 LYS H . . 6.180 4.087 4.087 4.087 . 0 0 "[ ]" 1
1307 1 92 LEU QD 1 96 SER HA . . 7.630 4.410 4.410 4.410 . 0 0 "[ ]" 1
1308 1 92 LEU QD 1 103 ILE H . . 7.630 1.598 1.598 1.598 . 0 0 "[ ]" 1
1309 1 92 LEU QD 1 103 ILE HB . . 5.460 1.657 1.657 1.657 . 0 0 "[ ]" 1
1310 1 92 LEU QD 1 103 ILE MG . . 8.600 2.667 2.667 2.667 . 0 0 "[ ]" 1
1311 1 92 LEU QD 1 104 PRO HD2 . . 7.630 4.670 4.670 4.670 . 0 0 "[ ]" 1
1312 1 92 LEU QD 1 104 PRO HD3 . . 7.630 4.413 4.413 4.413 . 0 0 "[ ]" 1
1313 1 92 LEU HG 1 103 ILE HB . . 2.650 2.828 2.828 2.828 0.178 1 0 "[ ]" 1
1314 1 92 LEU O 1 96 SER H . . 2.000 1.486 1.486 1.486 . 0 0 "[ ]" 1
1315 1 92 LEU O 1 96 SER N . . 3.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
1316 1 93 LYS H 1 93 LYS HA . . 2.900 2.726 2.726 2.726 . 0 0 "[ ]" 1
1317 1 93 LYS H 1 93 LYS QB . . 2.400 2.061 2.061 2.061 . 0 0 "[ ]" 1
1318 1 93 LYS H 1 93 LYS QD . . 5.070 4.109 4.109 4.109 . 0 0 "[ ]" 1
1319 1 93 LYS H 1 94 LEU H . . 2.930 2.953 2.953 2.953 0.023 1 0 "[ ]" 1
1320 1 93 LYS H 1 95 VAL H . . 4.510 4.120 4.120 4.120 . 0 0 "[ ]" 1
1321 1 93 LYS HA 1 93 LYS QB . . 2.350 2.482 2.482 2.482 0.132 1 0 "[ ]" 1
1322 1 93 LYS HA 1 93 LYS QD . . 4.490 3.700 3.700 3.700 . 0 0 "[ ]" 1
1323 1 93 LYS QB 1 94 LEU H . . 2.510 2.438 2.438 2.438 . 0 0 "[ ]" 1
1324 1 93 LYS O 1 97 GLU H . . 2.000 1.590 1.590 1.590 . 0 0 "[ ]" 1
1325 1 93 LYS O 1 97 GLU N . . 3.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
1326 1 94 LEU H 1 94 LEU HA . . 2.860 2.778 2.778 2.778 . 0 0 "[ ]" 1
1327 1 94 LEU H 1 94 LEU HB2 . . 2.930 1.981 1.981 1.981 . 0 0 "[ ]" 1
1328 1 94 LEU H 1 94 LEU QB . . 2.540 1.963 1.963 1.963 . 0 0 "[ ]" 1
1329 1 94 LEU H 1 94 LEU HB3 . . 2.930 3.211 3.211 3.211 0.281 1 0 "[ ]" 1
1330 1 94 LEU H 1 94 LEU HG . . 2.830 3.526 3.526 3.526 0.696 1 1 [+] 1
1331 1 94 LEU H 1 95 VAL H . . 2.990 2.721 2.721 2.721 . 0 0 "[ ]" 1
1332 1 94 LEU H 1 96 SER H . . 3.640 4.122 4.122 4.122 0.482 1 0 "[ ]" 1
1333 1 94 LEU HA 1 97 GLU H . . 3.700 3.172 3.172 3.172 . 0 0 "[ ]" 1
1334 1 94 LEU HA 1 97 GLU QB . . 3.060 2.194 2.194 2.194 . 0 0 "[ ]" 1
1335 1 94 LEU HA 1 98 LYS H . . 3.080 3.251 3.251 3.251 0.171 1 0 "[ ]" 1
1336 1 94 LEU QB 1 94 LEU HG . . 2.630 2.217 2.217 2.217 . 0 0 "[ ]" 1
1337 1 94 LEU QB 1 95 VAL H . . 3.440 2.768 2.768 2.768 . 0 0 "[ ]" 1
1338 1 94 LEU HB2 1 94 LEU HG . . 2.860 2.288 2.288 2.288 . 0 0 "[ ]" 1
1339 1 94 LEU HB2 1 95 VAL H . . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1
1340 1 94 LEU HB3 1 94 LEU HG . . 2.860 2.977 2.977 2.977 0.117 1 0 "[ ]" 1
1341 1 94 LEU HB3 1 95 VAL H . . 3.700 3.020 3.020 3.020 . 0 0 "[ ]" 1
1342 1 94 LEU QD 1 97 GLU H . . 7.540 3.998 3.998 3.998 . 0 0 "[ ]" 1
1343 1 94 LEU QD 1 98 LYS H . . 5.960 3.075 3.075 3.075 . 0 0 "[ ]" 1
1344 1 94 LEU QD 1 98 LYS HE2 . . 6.110 2.581 2.581 2.581 . 0 0 "[ ]" 1
1345 1 94 LEU QD 1 98 LYS QE . . 5.850 2.530 2.530 2.530 . 0 0 "[ ]" 1
1346 1 94 LEU QD 1 98 LYS HE3 . . 6.110 3.635 3.635 3.635 . 0 0 "[ ]" 1
1347 1 95 VAL H 1 95 VAL HA . . 2.620 2.800 2.800 2.800 0.180 1 0 "[ ]" 1
1348 1 95 VAL H 1 95 VAL HB . . 2.650 2.201 2.201 2.201 . 0 0 "[ ]" 1
1349 1 95 VAL H 1 95 VAL MG1 . . 4.080 3.638 3.638 3.638 . 0 0 "[ ]" 1
1350 1 95 VAL H 1 95 VAL QG . . 3.700 2.389 2.389 2.389 . 0 0 "[ ]" 1
1351 1 95 VAL H 1 95 VAL MG2 . . 4.080 2.423 2.423 2.423 . 0 0 "[ ]" 1
1352 1 95 VAL H 1 96 SER H . . 2.860 2.656 2.656 2.656 . 0 0 "[ ]" 1
1353 1 95 VAL H 1 97 GLU H . . 4.970 3.821 3.821 3.821 . 0 0 "[ ]" 1
1354 1 95 VAL HA 1 95 VAL HB . . 2.740 3.004 3.004 3.004 0.264 1 0 "[ ]" 1
1355 1 95 VAL HA 1 98 LYS H . . 5.220 3.604 3.604 3.604 . 0 0 "[ ]" 1
1356 1 95 VAL HA 1 98 LYS QB . . 4.830 3.513 3.513 3.513 . 0 0 "[ ]" 1
1357 1 95 VAL HA 1 99 PHE QD . . 7.620 3.450 3.450 3.450 . 0 0 "[ ]" 1
1358 1 95 VAL HA 1 99 PHE QE . . 7.620 5.537 5.537 5.537 . 0 0 "[ ]" 1
1359 1 95 VAL HB 1 96 SER H . . 2.930 2.747 2.747 2.747 . 0 0 "[ ]" 1
1360 1 95 VAL QG 1 96 SER H . . 4.710 3.045 3.045 3.045 . 0 0 "[ ]" 1
1361 1 95 VAL QG 1 99 PHE H . . 6.630 3.448 3.448 3.448 . 0 0 "[ ]" 1
1362 1 95 VAL QG 1 99 PHE QB . . 4.750 1.944 1.944 1.944 . 0 0 "[ ]" 1
1363 1 95 VAL QG 1 101 LEU H . . 7.310 2.726 2.726 2.726 . 0 0 "[ ]" 1
1364 1 95 VAL MG1 1 96 SER H . . 5.070 3.144 3.144 3.144 . 0 0 "[ ]" 1
1365 1 95 VAL MG1 1 99 PHE HB2 . . 6.030 2.327 2.327 2.327 . 0 0 "[ ]" 1
1366 1 95 VAL MG1 1 99 PHE HB3 . . 6.030 2.127 2.127 2.127 . 0 0 "[ ]" 1
1367 1 95 VAL MG2 1 96 SER H . . 5.070 4.074 4.074 4.074 . 0 0 "[ ]" 1
1368 1 95 VAL MG2 1 99 PHE HB2 . . 6.030 3.077 3.077 3.077 . 0 0 "[ ]" 1
1369 1 95 VAL MG2 1 99 PHE HB3 . . 6.030 3.991 3.991 3.991 . 0 0 "[ ]" 1
1370 1 96 SER H 1 96 SER QB . . 3.560 2.193 2.193 2.193 . 0 0 "[ ]" 1
1371 1 96 SER H 1 97 GLU H . . 2.860 2.472 2.472 2.472 . 0 0 "[ ]" 1
1372 1 96 SER H 1 101 LEU H . . 4.760 4.138 4.138 4.138 . 0 0 "[ ]" 1
1373 1 96 SER HA 1 101 LEU H . . 2.900 1.941 1.941 1.941 . 0 0 "[ ]" 1
1374 1 96 SER HA 1 101 LEU QB . . 6.380 3.873 3.873 3.873 . 0 0 "[ ]" 1
1375 1 96 SER QB 1 97 GLU H . . 3.710 2.852 2.852 2.852 . 0 0 "[ ]" 1
1376 1 97 GLU H 1 97 GLU HA . . 2.680 2.843 2.843 2.843 0.163 1 0 "[ ]" 1
1377 1 97 GLU H 1 97 GLU QB . . 2.520 2.082 2.082 2.082 . 0 0 "[ ]" 1
1378 1 97 GLU H 1 97 GLU HG2 . . 3.480 3.644 3.644 3.644 0.164 1 0 "[ ]" 1
1379 1 97 GLU H 1 97 GLU QG . . 3.250 3.187 3.187 3.187 . 0 0 "[ ]" 1
1380 1 97 GLU H 1 97 GLU HG3 . . 3.480 3.519 3.519 3.519 0.039 1 0 "[ ]" 1
1381 1 97 GLU H 1 98 LYS H . . 2.830 2.519 2.519 2.519 . 0 0 "[ ]" 1
1382 1 97 GLU H 1 100 GLY H . . 4.450 3.805 3.805 3.805 . 0 0 "[ ]" 1
1383 1 97 GLU HA 1 97 GLU QB . . 2.460 2.548 2.548 2.548 0.088 1 0 "[ ]" 1
1384 1 97 GLU HA 1 97 GLU HG2 . . 3.050 1.995 1.995 1.995 . 0 0 "[ ]" 1
1385 1 97 GLU HA 1 97 GLU QG . . 2.750 1.978 1.978 1.978 . 0 0 "[ ]" 1
1386 1 97 GLU HA 1 97 GLU HG3 . . 3.050 3.262 3.262 3.262 0.212 1 0 "[ ]" 1
1387 1 97 GLU QB 1 98 LYS H . . 2.860 2.604 2.604 2.604 . 0 0 "[ ]" 1
1388 1 97 GLU QG 1 98 LYS H . . 6.160 4.388 4.388 4.388 . 0 0 "[ ]" 1
1389 1 98 LYS H 1 98 LYS HA . . 2.650 2.893 2.893 2.893 0.243 1 0 "[ ]" 1
1390 1 98 LYS H 1 98 LYS HB2 . . 3.020 2.120 2.120 2.120 . 0 0 "[ ]" 1
1391 1 98 LYS H 1 98 LYS QB . . 2.670 2.097 2.097 2.097 . 0 0 "[ ]" 1
1392 1 98 LYS H 1 98 LYS HB3 . . 3.020 3.317 3.317 3.317 0.297 1 0 "[ ]" 1
1393 1 98 LYS H 1 98 LYS QD . . 3.560 3.308 3.308 3.308 . 0 0 "[ ]" 1
1394 1 98 LYS H 1 98 LYS HG2 . . 5.500 4.564 4.564 4.564 . 0 0 "[ ]" 1
1395 1 98 LYS H 1 98 LYS QG . . 5.140 3.635 3.635 3.635 . 0 0 "[ ]" 1
1396 1 98 LYS H 1 98 LYS HG3 . . 5.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
1397 1 98 LYS H 1 99 PHE H . . 2.960 2.497 2.497 2.497 . 0 0 "[ ]" 1
1398 1 98 LYS H 1 100 GLY H . . 5.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
1399 1 98 LYS HA 1 98 LYS HD2 . . 5.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
1400 1 98 LYS HA 1 98 LYS HD3 . . 5.500 4.091 4.091 4.091 . 0 0 "[ ]" 1
1401 1 98 LYS HA 1 98 LYS QG . . 3.960 1.927 1.927 1.927 . 0 0 "[ ]" 1
1402 1 98 LYS QB 1 98 LYS QD . . 3.320 1.992 1.992 1.992 . 0 0 "[ ]" 1
1403 1 98 LYS QB 1 99 PHE H . . 5.330 2.528 2.528 2.528 . 0 0 "[ ]" 1
1404 1 98 LYS QB 1 99 PHE QB . . 5.670 3.654 3.654 3.654 . 0 0 "[ ]" 1
1405 1 98 LYS HB2 1 99 PHE HB2 . . 7.250 4.327 4.327 4.327 . 0 0 "[ ]" 1
1406 1 98 LYS HB2 1 99 PHE HB3 . . 7.250 5.796 5.796 5.796 . 0 0 "[ ]" 1
1407 1 98 LYS HB3 1 99 PHE HB2 . . 7.250 4.113 4.113 4.113 . 0 0 "[ ]" 1
1408 1 98 LYS HB3 1 99 PHE HB3 . . 7.250 5.527 5.527 5.527 . 0 0 "[ ]" 1
1409 1 99 PHE H 1 99 PHE HB2 . . 3.700 1.901 1.901 1.901 . 0 0 "[ ]" 1
1410 1 99 PHE H 1 99 PHE HB3 . . 3.700 3.017 3.017 3.017 . 0 0 "[ ]" 1
1411 1 99 PHE H 1 101 LEU H . . 4.170 3.904 3.904 3.904 . 0 0 "[ ]" 1
1412 1 99 PHE QB 1 101 LEU H . . 4.310 2.301 2.301 2.301 . 0 0 "[ ]" 1
1413 1 99 PHE QB 1 101 LEU QD . . 8.980 3.326 3.326 3.326 . 0 0 "[ ]" 1
1414 1 99 PHE HB2 1 100 GLY H . . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
1415 1 99 PHE HB2 1 101 LEU H . . 4.510 3.597 3.597 3.597 . 0 0 "[ ]" 1
1416 1 99 PHE HB3 1 100 GLY H . . 5.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
1417 1 99 PHE HB3 1 101 LEU H . . 4.510 2.328 2.328 2.328 . 0 0 "[ ]" 1
1418 1 100 GLY H 1 100 GLY HA2 . . 2.770 2.248 2.248 2.248 . 0 0 "[ ]" 1
1419 1 100 GLY H 1 100 GLY QA . . 2.550 2.153 2.153 2.153 . 0 0 "[ ]" 1
1420 1 100 GLY H 1 100 GLY HA3 . . 2.770 2.755 2.755 2.755 . 0 0 "[ ]" 1
1421 1 100 GLY H 1 101 LEU H . . 3.080 2.779 2.779 2.779 . 0 0 "[ ]" 1
1422 1 101 LEU H 1 101 LEU QB . . 3.870 2.385 2.385 2.385 . 0 0 "[ ]" 1
1423 1 101 LEU H 1 102 GLU H . . 3.980 4.457 4.457 4.457 0.477 1 0 "[ ]" 1
1424 1 101 LEU HA 1 101 LEU HG . . 2.550 2.680 2.680 2.680 0.130 1 0 "[ ]" 1
1425 1 101 LEU HA 1 102 GLU H . . 2.400 2.279 2.279 2.279 . 0 0 "[ ]" 1
1426 1 101 LEU QB 1 102 GLU H . . 4.180 3.097 3.097 3.097 . 0 0 "[ ]" 1
1427 1 101 LEU QD 1 102 GLU H . . 5.140 3.608 3.608 3.608 . 0 0 "[ ]" 1
1428 1 101 LEU MD1 1 102 GLU H . . 5.630 3.743 3.743 3.743 . 0 0 "[ ]" 1
1429 1 101 LEU MD2 1 102 GLU H . . 5.630 4.725 4.725 4.725 . 0 0 "[ ]" 1
1430 1 102 GLU H 1 102 GLU HB2 . . 3.330 2.792 2.792 2.792 . 0 0 "[ ]" 1
1431 1 102 GLU H 1 102 GLU QB . . 2.830 2.511 2.511 2.511 . 0 0 "[ ]" 1
1432 1 102 GLU H 1 102 GLU HB3 . . 3.330 2.848 2.848 2.848 . 0 0 "[ ]" 1
1433 1 102 GLU H 1 102 GLU HG2 . . 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
1434 1 102 GLU H 1 102 GLU QG . . 4.790 4.116 4.116 4.116 . 0 0 "[ ]" 1
1435 1 102 GLU H 1 102 GLU HG3 . . 5.500 4.803 4.803 4.803 . 0 0 "[ ]" 1
1436 1 102 GLU H 1 103 ILE H . . 4.910 4.490 4.490 4.490 . 0 0 "[ ]" 1
1437 1 102 GLU HA 1 102 GLU QB . . 2.660 2.481 2.481 2.481 . 0 0 "[ ]" 1
1438 1 102 GLU HA 1 102 GLU HG2 . . 4.040 2.149 2.149 2.149 . 0 0 "[ ]" 1
1439 1 102 GLU HA 1 102 GLU QG . . 3.760 2.119 2.119 2.119 . 0 0 "[ ]" 1
1440 1 102 GLU HA 1 102 GLU HG3 . . 4.040 3.221 3.221 3.221 . 0 0 "[ ]" 1
1441 1 102 GLU HA 1 103 ILE H . . 2.430 2.359 2.359 2.359 . 0 0 "[ ]" 1
1442 1 102 GLU QB 1 103 ILE H . . 4.300 3.440 3.440 3.440 . 0 0 "[ ]" 1
1443 1 103 ILE H 1 103 ILE HB . . 2.860 2.462 2.462 2.462 . 0 0 "[ ]" 1
1444 1 103 ILE H 1 103 ILE HG12 . . 4.910 4.185 4.185 4.185 . 0 0 "[ ]" 1
1445 1 103 ILE H 1 103 ILE QG . . 4.410 2.886 2.886 2.886 . 0 0 "[ ]" 1
1446 1 103 ILE H 1 103 ILE HG13 . . 4.910 2.942 2.942 2.942 . 0 0 "[ ]" 1
1447 1 103 ILE HA 1 104 PRO HD2 . . 2.830 2.217 2.217 2.217 . 0 0 "[ ]" 1
1448 1 103 ILE HA 1 104 PRO QD . . 2.580 1.872 1.872 1.872 . 0 0 "[ ]" 1
1449 1 103 ILE HA 1 104 PRO HD3 . . 2.830 2.017 2.017 2.017 . 0 0 "[ ]" 1
1450 1 103 ILE HB 1 104 PRO QD . . 6.380 4.262 4.262 4.262 . 0 0 "[ ]" 1
1451 1 103 ILE MD 1 104 PRO HD2 . . 6.530 5.173 5.173 5.173 . 0 0 "[ ]" 1
1452 1 103 ILE MD 1 104 PRO QD . . 6.350 4.734 4.734 4.734 . 0 0 "[ ]" 1
1453 1 103 ILE MD 1 104 PRO HD3 . . 6.530 5.487 5.487 5.487 . 0 0 "[ ]" 1
1454 1 103 ILE MG 1 104 PRO HD2 . . 4.640 2.843 2.843 2.843 . 0 0 "[ ]" 1
1455 1 103 ILE MG 1 104 PRO QD . . 4.420 2.762 2.762 2.762 . 0 0 "[ ]" 1
1456 1 103 ILE MG 1 104 PRO HD3 . . 4.640 3.756 3.756 3.756 . 0 0 "[ ]" 1
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