NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372575 |
1dc7   |
4527 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dc7
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 1720
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 9.114
_Distance_constraint_stats_list.Viol_max 0.350
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0772
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 0.000 0.000 . 0 "[ ]"
1 3 ARG 0.168 0.133 1 0 "[ ]"
1 4 GLY 0.107 0.052 1 0 "[ ]"
1 5 ILE 0.032 0.020 1 0 "[ ]"
1 6 VAL 0.075 0.075 1 0 "[ ]"
1 7 TRP 0.167 0.085 1 0 "[ ]"
1 8 VAL 0.095 0.049 1 0 "[ ]"
1 9 VAL 0.082 0.082 1 0 "[ ]"
1 10 ASP 0.309 0.240 1 0 "[ ]"
1 11 ASP 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.000 0.000 . 0 "[ ]"
1 13 SER 0.028 0.028 1 0 "[ ]"
1 14 SER 0.006 0.006 1 0 "[ ]"
1 15 ILE 0.028 0.028 1 0 "[ ]"
1 16 ARG 0.023 0.023 1 0 "[ ]"
1 17 TRP 0.156 0.068 1 0 "[ ]"
1 18 VAL 0.305 0.101 1 0 "[ ]"
1 19 LEU 0.023 0.023 1 0 "[ ]"
1 20 GLU 0.125 0.056 1 0 "[ ]"
1 21 ARG 0.193 0.101 1 0 "[ ]"
1 22 ALA 0.009 0.009 1 0 "[ ]"
1 23 LEU 0.045 0.035 1 0 "[ ]"
1 24 ALA 0.253 0.129 1 0 "[ ]"
1 25 GLY 0.017 0.017 1 0 "[ ]"
1 26 ALA 0.292 0.126 1 0 "[ ]"
1 27 GLY 0.183 0.129 1 0 "[ ]"
1 28 LEU 0.327 0.200 1 0 "[ ]"
1 29 THR 0.241 0.200 1 0 "[ ]"
1 30 CYS 0.126 0.085 1 0 "[ ]"
1 31 THR 0.000 0.000 . 0 "[ ]"
1 32 THR 0.387 0.224 1 0 "[ ]"
1 33 PHE 0.338 0.224 1 0 "[ ]"
1 34 GLU 0.204 0.137 1 0 "[ ]"
1 35 ASN 0.139 0.137 1 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 ASN 0.211 0.152 1 0 "[ ]"
1 38 GLU 0.054 0.054 1 0 "[ ]"
1 39 VAL 0.181 0.066 1 0 "[ ]"
1 40 LEU 0.461 0.176 1 0 "[ ]"
1 41 ALA 0.060 0.060 1 0 "[ ]"
1 42 ALA 0.075 0.060 1 0 "[ ]"
1 43 LEU 0.000 0.000 . 0 "[ ]"
1 44 ALA 0.312 0.134 1 0 "[ ]"
1 45 SER 0.270 0.115 1 0 "[ ]"
1 46 LYS 0.631 0.149 1 0 "[ ]"
1 47 THR 0.540 0.167 1 0 "[ ]"
1 48 PRO 0.109 0.109 1 0 "[ ]"
1 49 ASP 0.085 0.085 1 0 "[ ]"
1 50 VAL 0.194 0.109 1 0 "[ ]"
1 51 LEU 0.064 0.064 1 0 "[ ]"
1 52 LEU 0.124 0.079 1 0 "[ ]"
1 53 SER 0.000 0.000 . 0 "[ ]"
1 54 ASP 0.323 0.240 1 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 ARG 0.000 0.000 . 0 "[ ]"
1 57 MET 0.000 0.000 . 0 "[ ]"
1 58 PRO 0.110 0.110 1 0 "[ ]"
1 59 GLY 0.110 0.110 1 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.278 0.278 1 0 "[ ]"
1 64 ALA 0.278 0.278 1 0 "[ ]"
1 65 LEU 0.059 0.059 1 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 67 LYS 0.000 0.000 . 0 "[ ]"
1 68 GLN 0.165 0.126 1 0 "[ ]"
1 69 ILE 0.171 0.133 1 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.209 0.095 1 0 "[ ]"
1 72 ARG 0.170 0.133 1 0 "[ ]"
1 73 HIS 0.079 0.079 1 0 "[ ]"
1 74 PRO 0.075 0.075 1 0 "[ ]"
1 75 MET 0.171 0.093 1 0 "[ ]"
1 76 LEU 0.107 0.075 1 0 "[ ]"
1 77 PRO 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 79 ILE 0.220 0.079 1 0 "[ ]"
1 80 ILE 0.145 0.145 1 0 "[ ]"
1 81 MET 0.206 0.195 1 0 "[ ]"
1 82 THR 0.079 0.079 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 HIS 0.000 0.000 . 0 "[ ]"
1 85 SER 0.220 0.082 1 0 "[ ]"
1 86 ASP 0.000 0.000 . 0 "[ ]"
1 87 LEU 0.128 0.128 1 0 "[ ]"
1 88 ASP 0.262 0.128 1 0 "[ ]"
1 89 ALA 0.111 0.078 1 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.138 0.138 1 0 "[ ]"
1 92 SER 0.032 0.032 1 0 "[ ]"
1 93 ALA 0.000 0.000 . 0 "[ ]"
1 94 TYR 0.000 0.000 . 0 "[ ]"
1 96 GLN 0.000 0.000 . 0 "[ ]"
1 98 ALA 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.565 0.350 1 0 "[ ]"
1 100 ASP 0.363 0.350 1 0 "[ ]"
1 101 TYR 0.145 0.145 1 0 "[ ]"
1 102 LEU 0.285 0.195 1 0 "[ ]"
1 103 PRO 0.000 0.000 . 0 "[ ]"
1 104 LYS 0.032 0.032 1 0 "[ ]"
1 105 PRO 0.114 0.114 1 0 "[ ]"
1 106 PHE 0.172 0.114 1 0 "[ ]"
1 107 ASP 0.173 0.084 1 0 "[ ]"
1 108 ILE 0.069 0.069 1 0 "[ ]"
1 109 ASP 0.243 0.124 1 0 "[ ]"
1 110 GLU 0.204 0.086 1 0 "[ ]"
1 111 ALA 0.063 0.033 1 0 "[ ]"
1 112 VAL 0.212 0.126 1 0 "[ ]"
1 113 ALA 0.124 0.124 1 0 "[ ]"
1 114 LEU 0.323 0.290 1 0 "[ ]"
1 115 VAL 0.320 0.290 1 0 "[ ]"
1 116 GLU 0.269 0.195 1 0 "[ ]"
1 117 ARG 0.002 0.002 1 0 "[ ]"
1 118 ALA 0.089 0.089 1 0 "[ ]"
1 119 ILE 0.219 0.090 1 0 "[ ]"
1 120 SER 0.179 0.090 1 0 "[ ]"
1 121 HIS 0.209 0.122 1 0 "[ ]"
1 122 TYR 0.060 0.047 1 0 "[ ]"
1 123 GLN 0.013 0.013 1 0 "[ ]"
1 124 GLU 0.000 0.000 1 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 2 GLN HA 1 2 GLN QG . . 3.720 2.156 2.156 2.156 . 0 0 "[ ]" 1
2 1 2 GLN HA 1 3 ARG H . . 2.490 2.205 2.205 2.205 . 0 0 "[ ]" 1
3 1 2 GLN HA 1 3 ARG QB . . 4.490 4.087 4.087 4.087 . 0 0 "[ ]" 1
4 1 2 GLN QB 1 2 GLN QG . . 2.450 2.064 2.064 2.064 . 0 0 "[ ]" 1
5 1 2 GLN QB 1 3 ARG H . . 4.550 3.862 3.862 3.862 . 0 0 "[ ]" 1
6 1 2 GLN QG 1 3 ARG H . . 6.160 2.872 2.872 2.872 . 0 0 "[ ]" 1
7 1 2 GLN QG 1 4 GLY H . . 6.380 3.590 3.590 3.590 . 0 0 "[ ]" 1
8 1 3 ARG H 1 3 ARG QB . . 3.680 3.011 3.011 3.011 . 0 0 "[ ]" 1
9 1 3 ARG H 1 4 GLY H . . 3.760 2.352 2.352 2.352 . 0 0 "[ ]" 1
10 1 3 ARG H 1 4 GLY HA2 . . 5.500 4.498 4.498 4.498 . 0 0 "[ ]" 1
11 1 3 ARG H 1 4 GLY QA . . 4.790 3.921 3.921 3.921 . 0 0 "[ ]" 1
12 1 3 ARG H 1 4 GLY HA3 . . 5.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
13 1 3 ARG H 1 28 LEU QD . . 8.100 4.453 4.453 4.453 . 0 0 "[ ]" 1
14 1 3 ARG HA 1 3 ARG HB2 . . 2.900 2.670 2.670 2.670 . 0 0 "[ ]" 1
15 1 3 ARG HA 1 3 ARG HB3 . . 2.900 3.033 3.033 3.033 0.133 1 0 "[ ]" 1
16 1 3 ARG HA 1 3 ARG HG2 . . 3.920 3.641 3.641 3.641 . 0 0 "[ ]" 1
17 1 3 ARG HA 1 3 ARG QG . . 3.490 2.410 2.410 2.410 . 0 0 "[ ]" 1
18 1 3 ARG HA 1 3 ARG HG3 . . 3.920 2.446 2.446 2.446 . 0 0 "[ ]" 1
19 1 3 ARG HA 1 4 GLY H . . 2.620 2.655 2.655 2.655 0.035 1 0 "[ ]" 1
20 1 3 ARG HA 1 4 GLY QA . . 4.700 3.983 3.983 3.983 . 0 0 "[ ]" 1
21 1 3 ARG HA 1 28 LEU QD . . 6.730 4.718 4.718 4.718 . 0 0 "[ ]" 1
22 1 3 ARG QB 1 28 LEU QD . . 7.290 3.672 3.672 3.672 . 0 0 "[ ]" 1
23 1 3 ARG HB2 1 28 LEU MD1 . . 9.640 5.290 5.290 5.290 . 0 0 "[ ]" 1
24 1 3 ARG HB2 1 28 LEU MD2 . . 9.640 6.697 6.697 6.697 . 0 0 "[ ]" 1
25 1 3 ARG HB3 1 28 LEU MD1 . . 9.640 3.834 3.834 3.834 . 0 0 "[ ]" 1
26 1 3 ARG HB3 1 28 LEU MD2 . . 9.640 5.503 5.503 5.503 . 0 0 "[ ]" 1
27 1 3 ARG QD 1 4 GLY H . . 6.380 4.859 4.859 4.859 . 0 0 "[ ]" 1
28 1 3 ARG QG 1 4 GLY H . . 5.420 4.263 4.263 4.263 . 0 0 "[ ]" 1
29 1 4 GLY H 1 5 ILE H . . 3.950 3.970 3.970 3.970 0.020 1 0 "[ ]" 1
30 1 4 GLY H 1 28 LEU HA . . 4.600 4.652 4.652 4.652 0.052 1 0 "[ ]" 1
31 1 4 GLY H 1 28 LEU QD . . 6.240 3.984 3.984 3.984 . 0 0 "[ ]" 1
32 1 4 GLY H 1 28 LEU HG . . 5.500 3.874 3.874 3.874 . 0 0 "[ ]" 1
33 1 4 GLY H 1 29 THR H . . 4.450 4.219 4.219 4.219 . 0 0 "[ ]" 1
34 1 4 GLY H 1 119 ILE MD . . 5.810 4.014 4.014 4.014 . 0 0 "[ ]" 1
35 1 4 GLY H 1 119 ILE MG . . 5.690 4.017 4.017 4.017 . 0 0 "[ ]" 1
36 1 4 GLY QA 1 5 ILE HB . . 4.700 4.155 4.155 4.155 . 0 0 "[ ]" 1
37 1 4 GLY QA 1 5 ILE MD . . 6.160 4.332 4.332 4.332 . 0 0 "[ ]" 1
38 1 4 GLY QA 1 28 LEU HA . . 5.010 3.922 3.922 3.922 . 0 0 "[ ]" 1
39 1 4 GLY QA 1 28 LEU QD . . 5.240 1.890 1.890 1.890 . 0 0 "[ ]" 1
40 1 4 GLY QA 1 115 VAL MG2 . . 6.340 4.422 4.422 4.422 . 0 0 "[ ]" 1
41 1 4 GLY QA 1 119 ILE MD . . 5.820 1.791 1.791 1.791 . 0 0 "[ ]" 1
42 1 4 GLY QA 1 119 ILE MG . . 4.650 2.455 2.455 2.455 . 0 0 "[ ]" 1
43 1 4 GLY HA2 1 5 ILE H . . 3.210 2.245 2.245 2.245 . 0 0 "[ ]" 1
44 1 4 GLY HA2 1 28 LEU MD1 . . 7.290 3.287 3.287 3.287 . 0 0 "[ ]" 1
45 1 4 GLY HA2 1 28 LEU MD2 . . 7.290 3.814 3.814 3.814 . 0 0 "[ ]" 1
46 1 4 GLY HA2 1 115 VAL MG1 . . 5.380 4.429 4.429 4.429 . 0 0 "[ ]" 1
47 1 4 GLY HA2 1 115 VAL MG2 . . 6.470 5.202 5.202 5.202 . 0 0 "[ ]" 1
48 1 4 GLY HA2 1 119 ILE MG . . 4.820 2.549 2.549 2.549 . 0 0 "[ ]" 1
49 1 4 GLY HA3 1 5 ILE H . . 3.210 3.122 3.122 3.122 . 0 0 "[ ]" 1
50 1 4 GLY HA3 1 28 LEU MD1 . . 7.290 1.931 1.931 1.931 . 0 0 "[ ]" 1
51 1 4 GLY HA3 1 28 LEU MD2 . . 7.290 2.946 2.946 2.946 . 0 0 "[ ]" 1
52 1 4 GLY HA3 1 115 VAL MG1 . . 5.380 3.497 3.497 3.497 . 0 0 "[ ]" 1
53 1 4 GLY HA3 1 115 VAL MG2 . . 6.470 4.786 4.786 4.786 . 0 0 "[ ]" 1
54 1 4 GLY HA3 1 119 ILE MG . . 4.820 3.208 3.208 3.208 . 0 0 "[ ]" 1
55 1 5 ILE H 1 5 ILE HB . . 3.240 2.525 2.525 2.525 . 0 0 "[ ]" 1
56 1 5 ILE H 1 5 ILE MD . . 5.230 3.780 3.780 3.780 . 0 0 "[ ]" 1
57 1 5 ILE H 1 6 VAL H . . 4.600 4.449 4.449 4.449 . 0 0 "[ ]" 1
58 1 5 ILE H 1 28 LEU MD1 . . 6.310 3.938 3.938 3.938 . 0 0 "[ ]" 1
59 1 5 ILE H 1 28 LEU QD . . 5.970 3.081 3.081 3.081 . 0 0 "[ ]" 1
60 1 5 ILE H 1 28 LEU MD2 . . 6.310 3.218 3.218 3.218 . 0 0 "[ ]" 1
61 1 5 ILE H 1 29 THR HB . . 5.500 4.279 4.279 4.279 . 0 0 "[ ]" 1
62 1 5 ILE H 1 29 THR MG . . 6.530 5.440 5.440 5.440 . 0 0 "[ ]" 1
63 1 5 ILE H 1 49 ASP H . . 4.040 3.342 3.342 3.342 . 0 0 "[ ]" 1
64 1 5 ILE H 1 49 ASP HA . . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
65 1 5 ILE H 1 49 ASP QB . . 5.200 1.918 1.918 1.918 . 0 0 "[ ]" 1
66 1 5 ILE H 1 50 VAL H . . 4.880 4.205 4.205 4.205 . 0 0 "[ ]" 1
67 1 5 ILE H 1 119 ILE MD . . 6.090 2.323 2.323 2.323 . 0 0 "[ ]" 1
68 1 5 ILE HA 1 6 VAL H . . 3.020 2.301 2.301 2.301 . 0 0 "[ ]" 1
69 1 5 ILE HA 1 6 VAL QG . . 7.030 4.031 4.031 4.031 . 0 0 "[ ]" 1
70 1 5 ILE HA 1 29 THR H . . 3.830 3.050 3.050 3.050 . 0 0 "[ ]" 1
71 1 5 ILE HA 1 29 THR HB . . 4.350 1.976 1.976 1.976 . 0 0 "[ ]" 1
72 1 5 ILE HA 1 29 THR MG . . 5.320 3.231 3.231 3.231 . 0 0 "[ ]" 1
73 1 5 ILE HA 1 49 ASP H . . 5.500 4.710 4.710 4.710 . 0 0 "[ ]" 1
74 1 5 ILE HB 1 5 ILE MD . . 3.580 2.199 2.199 2.199 . 0 0 "[ ]" 1
75 1 5 ILE HB 1 7 TRP HE1 . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
76 1 5 ILE HB 1 49 ASP H . . 4.040 1.948 1.948 1.948 . 0 0 "[ ]" 1
77 1 5 ILE HB 1 49 ASP QB . . 6.380 3.097 3.097 3.097 . 0 0 "[ ]" 1
78 1 5 ILE MD 1 6 VAL H . . 5.880 4.954 4.954 4.954 . 0 0 "[ ]" 1
79 1 5 ILE MD 1 7 TRP HE1 . . 6.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
80 1 5 ILE MD 1 29 THR H . . 6.530 5.271 5.271 5.271 . 0 0 "[ ]" 1
81 1 5 ILE MD 1 29 THR HB . . 4.880 3.601 3.601 3.601 . 0 0 "[ ]" 1
82 1 5 ILE MD 1 29 THR MG . . 6.750 3.326 3.326 3.326 . 0 0 "[ ]" 1
83 1 5 ILE MD 1 48 PRO HA . . 4.200 3.293 3.293 3.293 . 0 0 "[ ]" 1
84 1 5 ILE MD 1 49 ASP H . . 5.850 3.143 3.143 3.143 . 0 0 "[ ]" 1
85 1 5 ILE MD 1 50 VAL H . . 6.090 5.007 5.007 5.007 . 0 0 "[ ]" 1
86 1 5 ILE QG 1 6 VAL H . . 6.380 3.790 3.790 3.790 . 0 0 "[ ]" 1
87 1 5 ILE QG 1 7 TRP HE1 . . 6.380 4.654 4.654 4.654 . 0 0 "[ ]" 1
88 1 5 ILE QG 1 29 THR H . . 6.380 3.637 3.637 3.637 . 0 0 "[ ]" 1
89 1 5 ILE QG 1 29 THR HB . . 4.890 1.897 1.897 1.897 . 0 0 "[ ]" 1
90 1 5 ILE QG 1 29 THR MG . . 6.630 1.978 1.978 1.978 . 0 0 "[ ]" 1
91 1 5 ILE QG 1 49 ASP H . . 6.380 4.149 4.149 4.149 . 0 0 "[ ]" 1
92 1 5 ILE HG12 1 29 THR HB . . 5.280 2.167 2.167 2.167 . 0 0 "[ ]" 1
93 1 5 ILE HG13 1 29 THR HB . . 5.280 2.095 2.095 2.095 . 0 0 "[ ]" 1
94 1 5 ILE MG 1 6 VAL H . . 4.820 2.241 2.241 2.241 . 0 0 "[ ]" 1
95 1 5 ILE MG 1 7 TRP H . . 4.760 3.670 3.670 3.670 . 0 0 "[ ]" 1
96 1 5 ILE MG 1 7 TRP HE1 . . 4.330 2.765 2.765 2.765 . 0 0 "[ ]" 1
97 1 5 ILE MG 1 29 THR HB . . 5.070 3.380 3.380 3.380 . 0 0 "[ ]" 1
98 1 5 ILE MG 1 29 THR MG . . 6.220 2.915 2.915 2.915 . 0 0 "[ ]" 1
99 1 5 ILE MG 1 48 PRO HA . . 4.140 3.327 3.327 3.327 . 0 0 "[ ]" 1
100 1 5 ILE MG 1 48 PRO HB2 . . 4.920 1.924 1.924 1.924 . 0 0 "[ ]" 1
101 1 5 ILE MG 1 48 PRO QB . . 4.670 1.692 1.692 1.692 . 0 0 "[ ]" 1
102 1 5 ILE MG 1 48 PRO HB3 . . 4.920 1.878 1.878 1.878 . 0 0 "[ ]" 1
103 1 5 ILE MG 1 49 ASP H . . 5.130 2.769 2.769 2.769 . 0 0 "[ ]" 1
104 1 5 ILE MG 1 50 VAL H . . 4.390 3.338 3.338 3.338 . 0 0 "[ ]" 1
105 1 6 VAL H 1 6 VAL HB . . 3.480 2.704 2.704 2.704 . 0 0 "[ ]" 1
106 1 6 VAL H 1 6 VAL MG1 . . 4.640 3.546 3.546 3.546 . 0 0 "[ ]" 1
107 1 6 VAL H 1 6 VAL QG . . 4.200 3.166 3.166 3.166 . 0 0 "[ ]" 1
108 1 6 VAL H 1 6 VAL MG2 . . 4.640 3.562 3.562 3.562 . 0 0 "[ ]" 1
109 1 6 VAL H 1 7 TRP H . . 4.720 4.052 4.052 4.052 . 0 0 "[ ]" 1
110 1 6 VAL H 1 7 TRP HD1 . . 5.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
111 1 6 VAL H 1 28 LEU HG . . 5.500 5.575 5.575 5.575 0.075 1 0 "[ ]" 1
112 1 6 VAL H 1 29 THR H . . 4.720 4.711 4.711 4.711 . 0 0 "[ ]" 1
113 1 6 VAL H 1 29 THR HB . . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
114 1 6 VAL H 1 29 THR MG . . 6.530 3.859 3.859 3.859 . 0 0 "[ ]" 1
115 1 6 VAL H 1 30 CYS HA . . 3.520 2.261 2.261 2.261 . 0 0 "[ ]" 1
116 1 6 VAL H 1 31 THR H . . 4.200 3.791 3.791 3.791 . 0 0 "[ ]" 1
117 1 6 VAL H 1 50 VAL H . . 5.500 5.461 5.461 5.461 . 0 0 "[ ]" 1
118 1 6 VAL HA 1 7 TRP H . . 3.170 2.183 2.183 2.183 . 0 0 "[ ]" 1
119 1 6 VAL HA 1 49 ASP H . . 5.500 5.083 5.083 5.083 . 0 0 "[ ]" 1
120 1 6 VAL HA 1 50 VAL H . . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
121 1 6 VAL HA 1 51 LEU QD . . 8.100 3.726 3.726 3.726 . 0 0 "[ ]" 1
122 1 6 VAL HB 1 7 TRP H . . 5.500 4.579 4.579 4.579 . 0 0 "[ ]" 1
123 1 6 VAL HB 1 29 THR H . . 5.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
124 1 6 VAL HB 1 30 CYS HA . . 4.570 3.143 3.143 3.143 . 0 0 "[ ]" 1
125 1 6 VAL HB 1 31 THR H . . 5.500 4.752 4.752 4.752 . 0 0 "[ ]" 1
126 1 6 VAL QG 1 7 TRP H . . 4.150 2.915 2.915 2.915 . 0 0 "[ ]" 1
127 1 6 VAL QG 1 7 TRP HA . . 6.760 3.691 3.691 3.691 . 0 0 "[ ]" 1
128 1 6 VAL QG 1 30 CYS H . . 8.090 5.296 5.296 5.296 . 0 0 "[ ]" 1
129 1 6 VAL QG 1 30 CYS HA . . 4.960 3.127 3.127 3.127 . 0 0 "[ ]" 1
130 1 6 VAL QG 1 30 CYS QB . . 8.030 3.134 3.134 3.134 . 0 0 "[ ]" 1
131 1 6 VAL QG 1 31 THR H . . 7.340 3.484 3.484 3.484 . 0 0 "[ ]" 1
132 1 6 VAL QG 1 31 THR HB . . 7.840 5.364 5.364 5.364 . 0 0 "[ ]" 1
133 1 6 VAL MG1 1 7 TRP H . . 4.570 3.045 3.045 3.045 . 0 0 "[ ]" 1
134 1 6 VAL MG1 1 30 CYS HA . . 5.440 3.182 3.182 3.182 . 0 0 "[ ]" 1
135 1 6 VAL MG2 1 7 TRP H . . 4.570 3.724 3.724 3.724 . 0 0 "[ ]" 1
136 1 6 VAL MG2 1 30 CYS HA . . 5.440 4.600 4.600 4.600 . 0 0 "[ ]" 1
137 1 7 TRP H 1 7 TRP QB . . 3.790 2.229 2.229 2.229 . 0 0 "[ ]" 1
138 1 7 TRP H 1 7 TRP HD1 . . 5.070 3.366 3.366 3.366 . 0 0 "[ ]" 1
139 1 7 TRP H 1 7 TRP HE3 . . 5.500 5.278 5.278 5.278 . 0 0 "[ ]" 1
140 1 7 TRP H 1 33 PHE QE . . 7.620 5.605 5.605 5.605 . 0 0 "[ ]" 1
141 1 7 TRP H 1 39 VAL QG . . 8.090 4.754 4.754 4.754 . 0 0 "[ ]" 1
142 1 7 TRP H 1 48 PRO QB . . 6.380 4.231 4.231 4.231 . 0 0 "[ ]" 1
143 1 7 TRP H 1 51 LEU HA . . 3.790 2.040 2.040 2.040 . 0 0 "[ ]" 1
144 1 7 TRP H 1 51 LEU QB . . 6.380 4.130 4.130 4.130 . 0 0 "[ ]" 1
145 1 7 TRP H 1 51 LEU MD1 . . 5.320 2.447 2.447 2.447 . 0 0 "[ ]" 1
146 1 7 TRP H 1 51 LEU QD . . 4.770 2.437 2.437 2.437 . 0 0 "[ ]" 1
147 1 7 TRP H 1 51 LEU MD2 . . 5.320 4.532 4.532 4.532 . 0 0 "[ ]" 1
148 1 7 TRP H 1 51 LEU HG . . 5.310 3.036 3.036 3.036 . 0 0 "[ ]" 1
149 1 7 TRP H 1 52 LEU H . . 4.450 3.227 3.227 3.227 . 0 0 "[ ]" 1
150 1 7 TRP H 1 52 LEU QD . . 7.730 5.336 5.336 5.336 . 0 0 "[ ]" 1
151 1 7 TRP HA 1 7 TRP HD1 . . 2.490 2.274 2.274 2.274 . 0 0 "[ ]" 1
152 1 7 TRP HA 1 7 TRP HE1 . . 5.500 4.679 4.679 4.679 . 0 0 "[ ]" 1
153 1 7 TRP HA 1 8 VAL H . . 2.930 2.205 2.205 2.205 . 0 0 "[ ]" 1
154 1 7 TRP HA 1 8 VAL QG . . 7.340 3.523 3.523 3.523 . 0 0 "[ ]" 1
155 1 7 TRP HA 1 30 CYS HA . . 4.170 4.255 4.255 4.255 0.085 1 0 "[ ]" 1
156 1 7 TRP HA 1 31 THR H . . 3.670 2.562 2.562 2.562 . 0 0 "[ ]" 1
157 1 7 TRP HA 1 31 THR HB . . 4.720 2.598 2.598 2.598 . 0 0 "[ ]" 1
158 1 7 TRP HA 1 33 PHE H . . 5.500 5.165 5.165 5.165 . 0 0 "[ ]" 1
159 1 7 TRP QB 1 7 TRP HD1 . . 3.550 3.240 3.240 3.240 . 0 0 "[ ]" 1
160 1 7 TRP QB 1 8 VAL H . . 4.640 3.529 3.529 3.529 . 0 0 "[ ]" 1
161 1 7 TRP QB 1 9 VAL QG . . 8.690 3.096 3.096 3.096 . 0 0 "[ ]" 1
162 1 7 TRP QB 1 31 THR H . . 6.380 4.701 4.701 4.701 . 0 0 "[ ]" 1
163 1 7 TRP QB 1 39 VAL QG . . 7.380 2.149 2.149 2.149 . 0 0 "[ ]" 1
164 1 7 TRP QB 1 51 LEU H . . 6.380 5.510 5.510 5.510 . 0 0 "[ ]" 1
165 1 7 TRP QB 1 51 LEU QD . . 6.560 1.820 1.820 1.820 . 0 0 "[ ]" 1
166 1 7 TRP QB 1 52 LEU H . . 6.380 3.636 3.636 3.636 . 0 0 "[ ]" 1
167 1 7 TRP HD1 1 8 VAL H . . 5.130 4.383 4.383 4.383 . 0 0 "[ ]" 1
168 1 7 TRP HD1 1 30 CYS HA . . 5.220 4.039 4.039 4.039 . 0 0 "[ ]" 1
169 1 7 TRP HD1 1 31 THR H . . 4.420 3.203 3.203 3.203 . 0 0 "[ ]" 1
170 1 7 TRP HD1 1 31 THR HB . . 2.620 2.190 2.190 2.190 . 0 0 "[ ]" 1
171 1 7 TRP HD1 1 31 THR MG . . 4.360 3.721 3.721 3.721 . 0 0 "[ ]" 1
172 1 7 TRP HD1 1 48 PRO QB . . 5.200 3.791 3.791 3.791 . 0 0 "[ ]" 1
173 1 7 TRP HE1 1 29 THR MG . . 6.530 4.609 4.609 4.609 . 0 0 "[ ]" 1
174 1 7 TRP HE1 1 31 THR H . . 5.500 5.259 5.259 5.259 . 0 0 "[ ]" 1
175 1 7 TRP HE1 1 31 THR HB . . 4.600 3.098 3.098 3.098 . 0 0 "[ ]" 1
176 1 7 TRP HE1 1 31 THR MG . . 6.190 3.014 3.014 3.014 . 0 0 "[ ]" 1
177 1 7 TRP HE1 1 33 PHE QE . . 7.620 3.087 3.087 3.087 . 0 0 "[ ]" 1
178 1 7 TRP HE1 1 33 PHE HZ . . 5.500 4.255 4.255 4.255 . 0 0 "[ ]" 1
179 1 7 TRP HE1 1 48 PRO HA . . 5.500 5.417 5.417 5.417 . 0 0 "[ ]" 1
180 1 7 TRP HE1 1 48 PRO QB . . 6.380 3.352 3.352 3.352 . 0 0 "[ ]" 1
181 1 7 TRP HE1 1 48 PRO QG . . 6.380 3.824 3.824 3.824 . 0 0 "[ ]" 1
182 1 7 TRP HE3 1 39 VAL MG1 . . 4.300 2.967 2.967 2.967 . 0 0 "[ ]" 1
183 1 7 TRP HE3 1 39 VAL QG . . 3.840 1.776 1.776 1.776 . 0 0 "[ ]" 1
184 1 7 TRP HE3 1 39 VAL MG2 . . 4.300 1.790 1.790 1.790 . 0 0 "[ ]" 1
185 1 7 TRP HE3 1 42 ALA H . . 5.500 5.560 5.560 5.560 0.060 1 0 "[ ]" 1
186 1 7 TRP HE3 1 51 LEU QD . . 5.680 2.459 2.459 2.459 . 0 0 "[ ]" 1
187 1 7 TRP HH2 1 42 ALA MB . . 3.920 1.985 1.985 1.985 . 0 0 "[ ]" 1
188 1 7 TRP HH2 1 43 LEU H . . 5.280 3.795 3.795 3.795 . 0 0 "[ ]" 1
189 1 7 TRP HH2 1 43 LEU HA . . 3.390 3.287 3.287 3.287 . 0 0 "[ ]" 1
190 1 7 TRP HH2 1 43 LEU QD . . 5.900 4.126 4.126 4.126 . 0 0 "[ ]" 1
191 1 7 TRP HH2 1 46 LYS H . . 5.410 5.041 5.041 5.041 . 0 0 "[ ]" 1
192 1 7 TRP HZ2 1 31 THR MG . . 5.780 4.019 4.019 4.019 . 0 0 "[ ]" 1
193 1 7 TRP HZ2 1 42 ALA MB . . 4.330 3.407 3.407 3.407 . 0 0 "[ ]" 1
194 1 7 TRP HZ3 1 39 VAL QG . . 6.630 3.035 3.035 3.035 . 0 0 "[ ]" 1
195 1 7 TRP HZ3 1 42 ALA H . . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
196 1 7 TRP HZ3 1 42 ALA MB . . 4.950 2.001 2.001 2.001 . 0 0 "[ ]" 1
197 1 7 TRP HZ3 1 43 LEU H . . 4.940 2.574 2.574 2.574 . 0 0 "[ ]" 1
198 1 7 TRP HZ3 1 43 LEU HA . . 4.320 3.203 3.203 3.203 . 0 0 "[ ]" 1
199 1 7 TRP HZ3 1 43 LEU HG . . 3.550 3.430 3.430 3.430 . 0 0 "[ ]" 1
200 1 7 TRP HZ3 1 47 THR HA . . 5.250 5.260 5.260 5.260 0.010 1 0 "[ ]" 1
201 1 8 VAL H 1 8 VAL HB . . 3.450 2.402 2.402 2.402 . 0 0 "[ ]" 1
202 1 8 VAL H 1 9 VAL H . . 4.660 4.591 4.591 4.591 . 0 0 "[ ]" 1
203 1 8 VAL H 1 19 LEU QB . . 6.380 5.483 5.483 5.483 . 0 0 "[ ]" 1
204 1 8 VAL H 1 19 LEU QD . . 8.100 5.002 5.002 5.002 . 0 0 "[ ]" 1
205 1 8 VAL H 1 30 CYS HA . . 5.160 4.929 4.929 4.929 . 0 0 "[ ]" 1
206 1 8 VAL H 1 30 CYS HG . . 5.500 4.069 4.069 4.069 . 0 0 "[ ]" 1
207 1 8 VAL H 1 31 THR HB . . 5.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
208 1 8 VAL H 1 31 THR MG . . 6.530 4.835 4.835 4.835 . 0 0 "[ ]" 1
209 1 8 VAL H 1 32 THR HA . . 3.360 2.923 2.923 2.923 . 0 0 "[ ]" 1
210 1 8 VAL H 1 32 THR HB . . 5.500 5.549 5.549 5.549 0.049 1 0 "[ ]" 1
211 1 8 VAL H 1 32 THR MG . . 5.100 4.176 4.176 4.176 . 0 0 "[ ]" 1
212 1 8 VAL H 1 33 PHE H . . 4.110 3.557 3.557 3.557 . 0 0 "[ ]" 1
213 1 8 VAL H 1 33 PHE QD . . 7.620 3.450 3.450 3.450 . 0 0 "[ ]" 1
214 1 8 VAL H 1 33 PHE QE . . 7.620 4.928 4.928 4.928 . 0 0 "[ ]" 1
215 1 8 VAL H 1 52 LEU QB . . 6.380 4.874 4.874 4.874 . 0 0 "[ ]" 1
216 1 8 VAL H 1 52 LEU QD . . 8.100 5.598 5.598 5.598 . 0 0 "[ ]" 1
217 1 8 VAL HA 1 9 VAL H . . 3.080 2.257 2.257 2.257 . 0 0 "[ ]" 1
218 1 8 VAL HA 1 51 LEU QD . . 7.380 5.217 5.217 5.217 . 0 0 "[ ]" 1
219 1 8 VAL HA 1 51 LEU HG . . 5.500 5.147 5.147 5.147 . 0 0 "[ ]" 1
220 1 8 VAL HA 1 52 LEU H . . 3.520 3.566 3.566 3.566 0.046 1 0 "[ ]" 1
221 1 8 VAL HA 1 52 LEU QB . . 6.280 3.133 3.133 3.133 . 0 0 "[ ]" 1
222 1 8 VAL HA 1 81 MET ME . . 5.630 3.675 3.675 3.675 . 0 0 "[ ]" 1
223 1 8 VAL HB 1 9 VAL H . . 4.380 4.088 4.088 4.088 . 0 0 "[ ]" 1
224 1 8 VAL HB 1 32 THR H . . 5.500 4.320 4.320 4.320 . 0 0 "[ ]" 1
225 1 8 VAL HB 1 32 THR HA . . 4.380 1.962 1.962 1.962 . 0 0 "[ ]" 1
226 1 8 VAL HB 1 32 THR MG . . 4.140 2.603 2.603 2.603 . 0 0 "[ ]" 1
227 1 8 VAL HB 1 33 PHE H . . 5.280 3.042 3.042 3.042 . 0 0 "[ ]" 1
228 1 8 VAL QG 1 9 VAL H . . 6.510 2.219 2.219 2.219 . 0 0 "[ ]" 1
229 1 8 VAL QG 1 10 ASP QB . . 6.850 2.606 2.606 2.606 . 0 0 "[ ]" 1
230 1 8 VAL QG 1 32 THR H . . 8.090 4.330 4.330 4.330 . 0 0 "[ ]" 1
231 1 8 VAL QG 1 32 THR HA . . 6.760 3.038 3.038 3.038 . 0 0 "[ ]" 1
232 1 8 VAL QG 1 32 THR HB . . 7.190 4.168 4.168 4.168 . 0 0 "[ ]" 1
233 1 8 VAL QG 1 32 THR MG . . 7.530 2.641 2.641 2.641 . 0 0 "[ ]" 1
234 1 8 VAL QG 1 33 PHE H . . 7.750 3.485 3.485 3.485 . 0 0 "[ ]" 1
235 1 8 VAL QG 1 54 ASP H . . 8.090 4.812 4.812 4.812 . 0 0 "[ ]" 1
236 1 8 VAL MG1 1 10 ASP HB2 . . 8.530 2.783 2.783 2.783 . 0 0 "[ ]" 1
237 1 8 VAL MG1 1 10 ASP HB3 . . 8.530 3.180 3.180 3.180 . 0 0 "[ ]" 1
238 1 8 VAL MG2 1 10 ASP HB2 . . 8.530 5.280 5.280 5.280 . 0 0 "[ ]" 1
239 1 8 VAL MG2 1 10 ASP HB3 . . 8.530 5.714 5.714 5.714 . 0 0 "[ ]" 1
240 1 9 VAL H 1 9 VAL HB . . 4.170 2.797 2.797 2.797 . 0 0 "[ ]" 1
241 1 9 VAL H 1 9 VAL MG1 . . 4.790 3.915 3.915 3.915 . 0 0 "[ ]" 1
242 1 9 VAL H 1 9 VAL MG2 . . 4.790 2.755 2.755 2.755 . 0 0 "[ ]" 1
243 1 9 VAL H 1 10 ASP H . . 4.540 3.434 3.434 3.434 . 0 0 "[ ]" 1
244 1 9 VAL H 1 10 ASP QB . . 5.850 3.780 3.780 3.780 . 0 0 "[ ]" 1
245 1 9 VAL H 1 39 VAL QG . . 8.090 4.857 4.857 4.857 . 0 0 "[ ]" 1
246 1 9 VAL H 1 52 LEU QB . . 6.380 4.610 4.610 4.610 . 0 0 "[ ]" 1
247 1 9 VAL H 1 53 SER HA . . 3.670 2.271 2.271 2.271 . 0 0 "[ ]" 1
248 1 9 VAL H 1 54 ASP H . . 5.070 3.577 3.577 3.577 . 0 0 "[ ]" 1
249 1 9 VAL H 1 56 ARG QD . . 6.380 5.526 5.526 5.526 . 0 0 "[ ]" 1
250 1 9 VAL H 1 81 MET ME . . 5.570 2.989 2.989 2.989 . 0 0 "[ ]" 1
251 1 9 VAL HA 1 10 ASP H . . 3.240 2.400 2.400 2.400 . 0 0 "[ ]" 1
252 1 9 VAL HA 1 33 PHE H . . 3.790 3.118 3.118 3.118 . 0 0 "[ ]" 1
253 1 9 VAL HA 1 34 GLU H . . 4.850 4.330 4.330 4.330 . 0 0 "[ ]" 1
254 1 9 VAL HB 1 39 VAL QG . . 7.720 4.002 4.002 4.002 . 0 0 "[ ]" 1
255 1 9 VAL HB 1 53 SER HA . . 4.760 2.082 2.082 2.082 . 0 0 "[ ]" 1
256 1 9 VAL HB 1 54 ASP HA . . 5.250 5.332 5.332 5.332 0.082 1 0 "[ ]" 1
257 1 9 VAL QG 1 10 ASP H . . 5.430 3.511 3.511 3.511 . 0 0 "[ ]" 1
258 1 9 VAL QG 1 33 PHE H . . 5.460 3.539 3.539 3.539 . 0 0 "[ ]" 1
259 1 9 VAL QG 1 33 PHE QB . . 7.660 2.166 2.166 2.166 . 0 0 "[ ]" 1
260 1 9 VAL QG 1 33 PHE QD . . 8.370 3.461 3.461 3.461 . 0 0 "[ ]" 1
261 1 9 VAL QG 1 34 GLU H . . 8.090 4.607 4.607 4.607 . 0 0 "[ ]" 1
262 1 9 VAL QG 1 35 ASN H . . 7.810 2.876 2.876 2.876 . 0 0 "[ ]" 1
263 1 9 VAL QG 1 36 GLY QA . . 8.530 2.391 2.391 2.391 . 0 0 "[ ]" 1
264 1 9 VAL QG 1 53 SER HA . . 5.040 2.520 2.520 2.520 . 0 0 "[ ]" 1
265 1 9 VAL QG 1 53 SER QB . . 7.600 2.958 2.958 2.958 . 0 0 "[ ]" 1
266 1 9 VAL QG 1 54 ASP H . . 7.410 3.324 3.324 3.324 . 0 0 "[ ]" 1
267 1 9 VAL QG 1 57 MET ME . . 8.090 2.155 2.155 2.155 . 0 0 "[ ]" 1
268 1 9 VAL MG1 1 10 ASP H . . 5.910 3.695 3.695 3.695 . 0 0 "[ ]" 1
269 1 9 VAL MG1 1 33 PHE H . . 5.780 4.701 4.701 4.701 . 0 0 "[ ]" 1
270 1 9 VAL MG1 1 33 PHE QD . . 8.650 5.110 5.110 5.110 . 0 0 "[ ]" 1
271 1 9 VAL MG1 1 53 SER HA . . 5.750 3.815 3.815 3.815 . 0 0 "[ ]" 1
272 1 9 VAL MG2 1 10 ASP H . . 5.910 4.384 4.384 4.384 . 0 0 "[ ]" 1
273 1 9 VAL MG2 1 33 PHE H . . 5.780 3.659 3.659 3.659 . 0 0 "[ ]" 1
274 1 9 VAL MG2 1 33 PHE QD . . 8.650 3.520 3.520 3.520 . 0 0 "[ ]" 1
275 1 9 VAL MG2 1 53 SER HA . . 5.750 2.557 2.557 2.557 . 0 0 "[ ]" 1
276 1 10 ASP H 1 16 ARG QD . . 6.380 5.359 5.359 5.359 . 0 0 "[ ]" 1
277 1 10 ASP H 1 32 THR HA . . 5.280 5.048 5.048 5.048 . 0 0 "[ ]" 1
278 1 10 ASP H 1 33 PHE H . . 4.290 3.842 3.842 3.842 . 0 0 "[ ]" 1
279 1 10 ASP H 1 33 PHE QB . . 6.380 4.981 4.981 4.981 . 0 0 "[ ]" 1
280 1 10 ASP H 1 33 PHE QD . . 7.620 6.662 6.662 6.662 . 0 0 "[ ]" 1
281 1 10 ASP H 1 34 GLU HA . . 3.520 2.759 2.759 2.759 . 0 0 "[ ]" 1
282 1 10 ASP H 1 34 GLU QB . . 6.380 3.297 3.297 3.297 . 0 0 "[ ]" 1
283 1 10 ASP H 1 35 ASN H . . 5.040 5.042 5.042 5.042 0.002 1 0 "[ ]" 1
284 1 10 ASP HA 1 11 ASP H . . 3.170 2.379 2.379 2.379 . 0 0 "[ ]" 1
285 1 10 ASP HA 1 54 ASP H . . 3.700 3.940 3.940 3.940 0.240 1 0 "[ ]" 1
286 1 10 ASP HA 1 54 ASP HA . . 5.500 5.443 5.443 5.443 . 0 0 "[ ]" 1
287 1 10 ASP HA 1 54 ASP QB . . 5.570 2.716 2.716 2.716 . 0 0 "[ ]" 1
288 1 10 ASP HA 1 81 MET ME . . 5.690 4.576 4.576 4.576 . 0 0 "[ ]" 1
289 1 10 ASP QB 1 12 ASP H . . 5.790 2.653 2.653 2.653 . 0 0 "[ ]" 1
290 1 10 ASP QB 1 15 ILE MG . . 6.040 3.906 3.906 3.906 . 0 0 "[ ]" 1
291 1 10 ASP QB 1 34 GLU QB . . 5.330 3.986 3.986 3.986 . 0 0 "[ ]" 1
292 1 10 ASP HB2 1 11 ASP H . . 4.510 4.170 4.170 4.170 . 0 0 "[ ]" 1
293 1 10 ASP HB2 1 16 ARG H . . 5.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
294 1 10 ASP HB2 1 34 GLU HB2 . . 6.230 6.297 6.297 6.297 0.067 1 0 "[ ]" 1
295 1 10 ASP HB2 1 34 GLU HB3 . . 6.230 5.664 5.664 5.664 . 0 0 "[ ]" 1
296 1 10 ASP HB3 1 11 ASP H . . 4.510 3.816 3.816 3.816 . 0 0 "[ ]" 1
297 1 10 ASP HB3 1 16 ARG H . . 5.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
298 1 10 ASP HB3 1 34 GLU HB2 . . 6.230 5.107 5.107 5.107 . 0 0 "[ ]" 1
299 1 10 ASP HB3 1 34 GLU HB3 . . 6.230 4.355 4.355 4.355 . 0 0 "[ ]" 1
300 1 11 ASP H 1 11 ASP HB2 . . 3.610 2.147 2.147 2.147 . 0 0 "[ ]" 1
301 1 11 ASP H 1 11 ASP QB . . 3.280 2.125 2.125 2.125 . 0 0 "[ ]" 1
302 1 11 ASP H 1 11 ASP HB3 . . 3.610 3.387 3.387 3.387 . 0 0 "[ ]" 1
303 1 11 ASP H 1 12 ASP H . . 3.890 2.748 2.748 2.748 . 0 0 "[ ]" 1
304 1 11 ASP H 1 12 ASP QB . . 5.540 4.041 4.041 4.041 . 0 0 "[ ]" 1
305 1 11 ASP H 1 54 ASP QB . . 6.380 4.064 4.064 4.064 . 0 0 "[ ]" 1
306 1 11 ASP H 1 57 MET ME . . 6.530 5.164 5.164 5.164 . 0 0 "[ ]" 1
307 1 11 ASP HA 1 56 ARG QB . . 5.760 5.123 5.123 5.123 . 0 0 "[ ]" 1
308 1 11 ASP HA 1 56 ARG QD . . 5.660 4.855 4.855 4.855 . 0 0 "[ ]" 1
309 1 11 ASP HA 1 56 ARG HG2 . . 5.500 3.607 3.607 3.607 . 0 0 "[ ]" 1
310 1 11 ASP HA 1 56 ARG QG . . 5.320 3.509 3.509 3.509 . 0 0 "[ ]" 1
311 1 11 ASP HA 1 56 ARG HG3 . . 5.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
312 1 12 ASP H 1 12 ASP HB2 . . 3.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
313 1 12 ASP H 1 12 ASP HB3 . . 3.700 3.577 3.577 3.577 . 0 0 "[ ]" 1
314 1 12 ASP H 1 13 SER H . . 4.660 4.443 4.443 4.443 . 0 0 "[ ]" 1
315 1 12 ASP H 1 13 SER QB . . 6.190 5.407 5.407 5.407 . 0 0 "[ ]" 1
316 1 12 ASP H 1 15 ILE QG . . 6.380 5.563 5.563 5.563 . 0 0 "[ ]" 1
317 1 12 ASP H 1 34 GLU QG . . 6.380 5.587 5.587 5.587 . 0 0 "[ ]" 1
318 1 12 ASP HA 1 13 SER H . . 2.800 2.641 2.641 2.641 . 0 0 "[ ]" 1
319 1 12 ASP HA 1 14 SER H . . 5.500 4.691 4.691 4.691 . 0 0 "[ ]" 1
320 1 12 ASP QB 1 14 SER H . . 4.870 2.633 2.633 2.633 . 0 0 "[ ]" 1
321 1 12 ASP QB 1 15 ILE H . . 4.280 3.242 3.242 3.242 . 0 0 "[ ]" 1
322 1 12 ASP QB 1 16 ARG H . . 4.660 4.209 4.209 4.209 . 0 0 "[ ]" 1
323 1 12 ASP HB2 1 14 SER H . . 5.220 3.580 3.580 3.580 . 0 0 "[ ]" 1
324 1 12 ASP HB2 1 15 ILE H . . 4.480 3.764 3.764 3.764 . 0 0 "[ ]" 1
325 1 12 ASP HB2 1 16 ARG H . . 4.910 4.654 4.654 4.654 . 0 0 "[ ]" 1
326 1 12 ASP HB3 1 14 SER H . . 5.220 2.709 2.709 2.709 . 0 0 "[ ]" 1
327 1 12 ASP HB3 1 15 ILE H . . 4.480 3.538 3.538 3.538 . 0 0 "[ ]" 1
328 1 12 ASP HB3 1 16 ARG H . . 4.910 4.804 4.804 4.804 . 0 0 "[ ]" 1
329 1 13 SER H 1 13 SER QB . . 3.860 2.551 2.551 2.551 . 0 0 "[ ]" 1
330 1 13 SER H 1 14 SER H . . 3.480 2.889 2.889 2.889 . 0 0 "[ ]" 1
331 1 13 SER H 1 15 ILE H . . 5.040 4.557 4.557 4.557 . 0 0 "[ ]" 1
332 1 13 SER HA 1 14 SER H . . 3.550 2.734 2.734 2.734 . 0 0 "[ ]" 1
333 1 13 SER HA 1 15 ILE H . . 4.290 4.318 4.318 4.318 0.028 1 0 "[ ]" 1
334 1 13 SER HA 1 16 ARG H . . 3.950 3.715 3.715 3.715 . 0 0 "[ ]" 1
335 1 13 SER HA 1 16 ARG QD . . 5.690 1.991 1.991 1.991 . 0 0 "[ ]" 1
336 1 14 SER H 1 14 SER HB2 . . 3.580 3.008 3.008 3.008 . 0 0 "[ ]" 1
337 1 14 SER H 1 14 SER QB . . 3.180 2.599 2.599 2.599 . 0 0 "[ ]" 1
338 1 14 SER H 1 14 SER HB3 . . 3.580 2.842 2.842 2.842 . 0 0 "[ ]" 1
339 1 14 SER H 1 15 ILE H . . 3.240 1.866 1.866 1.866 . 0 0 "[ ]" 1
340 1 14 SER H 1 15 ILE HB . . 4.200 4.106 4.106 4.106 . 0 0 "[ ]" 1
341 1 14 SER H 1 15 ILE MD . . 6.530 5.249 5.249 5.249 . 0 0 "[ ]" 1
342 1 14 SER H 1 15 ILE QG . . 6.380 3.673 3.673 3.673 . 0 0 "[ ]" 1
343 1 14 SER H 1 15 ILE MG . . 6.530 5.213 5.213 5.213 . 0 0 "[ ]" 1
344 1 14 SER H 1 16 ARG H . . 4.260 2.820 2.820 2.820 . 0 0 "[ ]" 1
345 1 14 SER H 1 16 ARG QG . . 6.380 3.030 3.030 3.030 . 0 0 "[ ]" 1
346 1 14 SER H 1 17 TRP QB . . 5.730 4.625 4.625 4.625 . 0 0 "[ ]" 1
347 1 14 SER HA 1 17 TRP H . . 3.860 3.854 3.854 3.854 . 0 0 "[ ]" 1
348 1 14 SER HA 1 17 TRP QB . . 4.580 3.418 3.418 3.418 . 0 0 "[ ]" 1
349 1 14 SER HA 1 18 VAL H . . 4.230 4.236 4.236 4.236 0.006 1 0 "[ ]" 1
350 1 15 ILE H 1 15 ILE HB . . 3.330 2.479 2.479 2.479 . 0 0 "[ ]" 1
351 1 15 ILE H 1 15 ILE QG . . 5.070 2.181 2.181 2.181 . 0 0 "[ ]" 1
352 1 15 ILE H 1 16 ARG H . . 3.450 2.330 2.330 2.330 . 0 0 "[ ]" 1
353 1 15 ILE H 1 16 ARG QG . . 6.380 3.778 3.778 3.778 . 0 0 "[ ]" 1
354 1 15 ILE H 1 17 TRP H . . 4.850 3.929 3.929 3.929 . 0 0 "[ ]" 1
355 1 15 ILE HA 1 15 ILE MD . . 4.110 2.580 2.580 2.580 . 0 0 "[ ]" 1
356 1 15 ILE HA 1 17 TRP H . . 4.200 4.016 4.016 4.016 . 0 0 "[ ]" 1
357 1 15 ILE HA 1 18 VAL H . . 3.790 3.128 3.128 3.128 . 0 0 "[ ]" 1
358 1 15 ILE HA 1 18 VAL HB . . 3.480 2.143 2.143 2.143 . 0 0 "[ ]" 1
359 1 15 ILE HA 1 18 VAL MG1 . . 4.330 3.572 3.572 3.572 . 0 0 "[ ]" 1
360 1 15 ILE HA 1 18 VAL QG . . 3.970 2.727 2.727 2.727 . 0 0 "[ ]" 1
361 1 15 ILE HA 1 18 VAL MG2 . . 4.330 2.829 2.829 2.829 . 0 0 "[ ]" 1
362 1 15 ILE HB 1 16 ARG H . . 3.450 2.810 2.810 2.810 . 0 0 "[ ]" 1
363 1 15 ILE MD 1 16 ARG H . . 6.530 4.989 4.989 4.989 . 0 0 "[ ]" 1
364 1 15 ILE MD 1 18 VAL HB . . 5.540 3.648 3.648 3.648 . 0 0 "[ ]" 1
365 1 15 ILE MD 1 18 VAL QG . . 8.740 3.273 3.273 3.273 . 0 0 "[ ]" 1
366 1 15 ILE MD 1 19 LEU QB . . 7.400 5.195 5.195 5.195 . 0 0 "[ ]" 1
367 1 15 ILE MD 1 104 LYS QB . . 6.320 3.820 3.820 3.820 . 0 0 "[ ]" 1
368 1 15 ILE MD 1 104 LYS QD . . 5.850 3.917 3.917 3.917 . 0 0 "[ ]" 1
369 1 15 ILE MD 1 104 LYS HE2 . . 5.910 3.961 3.961 3.961 . 0 0 "[ ]" 1
370 1 15 ILE MD 1 104 LYS QE . . 5.700 3.747 3.747 3.747 . 0 0 "[ ]" 1
371 1 15 ILE MD 1 104 LYS HE3 . . 5.910 4.624 4.624 4.624 . 0 0 "[ ]" 1
372 1 15 ILE MD 1 106 PHE H . . 6.530 4.260 4.260 4.260 . 0 0 "[ ]" 1
373 1 15 ILE MD 1 106 PHE QE . . 7.600 4.685 4.685 4.685 . 0 0 "[ ]" 1
374 1 15 ILE QG 1 16 ARG H . . 6.380 3.932 3.932 3.932 . 0 0 "[ ]" 1
375 1 15 ILE MG 1 16 ARG H . . 5.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
376 1 15 ILE MG 1 17 TRP H . . 6.530 4.950 4.950 4.950 . 0 0 "[ ]" 1
377 1 15 ILE MG 1 18 VAL H . . 6.530 4.565 4.565 4.565 . 0 0 "[ ]" 1
378 1 15 ILE MG 1 19 LEU QB . . 4.990 2.881 2.881 2.881 . 0 0 "[ ]" 1
379 1 15 ILE MG 1 19 LEU HG . . 4.570 2.256 2.256 2.256 . 0 0 "[ ]" 1
380 1 15 ILE MG 1 104 LYS QE . . 6.600 4.675 4.675 4.675 . 0 0 "[ ]" 1
381 1 15 ILE MG 1 106 PHE QD . . 8.430 5.543 5.543 5.543 . 0 0 "[ ]" 1
382 1 15 ILE MG 1 108 ILE QG . . 5.050 3.174 3.174 3.174 . 0 0 "[ ]" 1
383 1 16 ARG H 1 17 TRP H . . 3.640 2.748 2.748 2.748 . 0 0 "[ ]" 1
384 1 16 ARG H 1 17 TRP QB . . 5.970 4.453 4.453 4.453 . 0 0 "[ ]" 1
385 1 16 ARG H 1 18 VAL QG . . 6.880 4.939 4.939 4.939 . 0 0 "[ ]" 1
386 1 16 ARG HA 1 19 LEU H . . 3.860 3.883 3.883 3.883 0.023 1 0 "[ ]" 1
387 1 16 ARG HA 1 20 GLU H . . 4.070 3.739 3.739 3.739 . 0 0 "[ ]" 1
388 1 16 ARG HA 1 32 THR MG . . 4.850 2.733 2.733 2.733 . 0 0 "[ ]" 1
389 1 16 ARG QB 1 19 LEU H . . 6.380 5.332 5.332 5.332 . 0 0 "[ ]" 1
390 1 16 ARG QB 1 32 THR HB . . 6.380 2.820 2.820 2.820 . 0 0 "[ ]" 1
391 1 16 ARG QD 1 17 TRP H . . 6.380 4.231 4.231 4.231 . 0 0 "[ ]" 1
392 1 16 ARG QD 1 32 THR HB . . 5.970 2.989 2.989 2.989 . 0 0 "[ ]" 1
393 1 16 ARG QD 1 32 THR MG . . 6.410 2.845 2.845 2.845 . 0 0 "[ ]" 1
394 1 16 ARG QD 1 33 PHE H . . 6.380 5.556 5.556 5.556 . 0 0 "[ ]" 1
395 1 16 ARG QG 1 17 TRP H . . 5.730 2.108 2.108 2.108 . 0 0 "[ ]" 1
396 1 16 ARG QG 1 18 VAL H . . 6.380 4.230 4.230 4.230 . 0 0 "[ ]" 1
397 1 17 TRP H 1 17 TRP HB2 . . 3.270 3.302 3.302 3.302 0.032 1 0 "[ ]" 1
398 1 17 TRP H 1 17 TRP HB3 . . 3.270 2.073 2.073 2.073 . 0 0 "[ ]" 1
399 1 17 TRP H 1 17 TRP HD1 . . 5.500 4.891 4.891 4.891 . 0 0 "[ ]" 1
400 1 17 TRP H 1 18 VAL H . . 3.550 2.470 2.470 2.470 . 0 0 "[ ]" 1
401 1 17 TRP H 1 18 VAL HB . . 4.510 4.424 4.424 4.424 . 0 0 "[ ]" 1
402 1 17 TRP H 1 18 VAL QG . . 7.840 3.931 3.931 3.931 . 0 0 "[ ]" 1
403 1 17 TRP H 1 19 LEU QD . . 8.100 5.412 5.412 5.412 . 0 0 "[ ]" 1
404 1 17 TRP HA 1 17 TRP HD1 . . 4.320 3.286 3.286 3.286 . 0 0 "[ ]" 1
405 1 17 TRP HA 1 20 GLU H . . 3.640 3.568 3.568 3.568 . 0 0 "[ ]" 1
406 1 17 TRP HA 1 20 GLU QB . . 4.490 2.445 2.445 2.445 . 0 0 "[ ]" 1
407 1 17 TRP HA 1 21 ARG H . . 3.610 3.678 3.678 3.678 0.068 1 0 "[ ]" 1
408 1 17 TRP QB 1 17 TRP HD1 . . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
409 1 17 TRP QB 1 18 VAL H . . 4.330 2.995 2.995 2.995 . 0 0 "[ ]" 1
410 1 17 TRP HD1 1 18 VAL H . . 5.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
411 1 17 TRP HD1 1 18 VAL QG . . 5.550 3.882 3.882 3.882 . 0 0 "[ ]" 1
412 1 17 TRP HE1 1 21 ARG QD . . 6.380 2.036 2.036 2.036 . 0 0 "[ ]" 1
413 1 17 TRP HE1 1 21 ARG QG . . 6.380 4.111 4.111 4.111 . 0 0 "[ ]" 1
414 1 17 TRP HE3 1 18 VAL H . . 4.790 3.932 3.932 3.932 . 0 0 "[ ]" 1
415 1 17 TRP HZ2 1 21 ARG QD . . 6.380 4.283 4.283 4.283 . 0 0 "[ ]" 1
416 1 17 TRP HZ3 1 18 VAL H . . 5.500 5.557 5.557 5.557 0.057 1 0 "[ ]" 1
417 1 17 TRP HZ3 1 18 VAL QG . . 6.570 3.990 3.990 3.990 . 0 0 "[ ]" 1
418 1 18 VAL H 1 18 VAL HB . . 3.020 2.392 2.392 2.392 . 0 0 "[ ]" 1
419 1 18 VAL H 1 18 VAL MG1 . . 4.170 3.695 3.695 3.695 . 0 0 "[ ]" 1
420 1 18 VAL H 1 18 VAL MG2 . . 4.170 2.111 2.111 2.111 . 0 0 "[ ]" 1
421 1 18 VAL H 1 19 LEU QD . . 8.100 5.236 5.236 5.236 . 0 0 "[ ]" 1
422 1 18 VAL H 1 19 LEU HG . . 5.500 5.467 5.467 5.467 . 0 0 "[ ]" 1
423 1 18 VAL H 1 20 GLU H . . 4.290 4.346 4.346 4.346 0.056 1 0 "[ ]" 1
424 1 18 VAL HA 1 18 VAL HB . . 2.960 3.022 3.022 3.022 0.062 1 0 "[ ]" 1
425 1 18 VAL HA 1 21 ARG H . . 3.330 3.431 3.431 3.431 0.101 1 0 "[ ]" 1
426 1 18 VAL HA 1 21 ARG HB2 . . 3.670 3.694 3.694 3.694 0.024 1 0 "[ ]" 1
427 1 18 VAL HA 1 21 ARG HB3 . . 3.670 2.318 2.318 2.318 . 0 0 "[ ]" 1
428 1 18 VAL HA 1 21 ARG QD . . 6.380 3.638 3.638 3.638 . 0 0 "[ ]" 1
429 1 18 VAL HA 1 22 ALA H . . 4.040 3.563 3.563 3.563 . 0 0 "[ ]" 1
430 1 18 VAL HB 1 19 LEU H . . 3.520 2.425 2.425 2.425 . 0 0 "[ ]" 1
431 1 18 VAL HB 1 22 ALA MB . . 6.060 4.996 4.996 4.996 . 0 0 "[ ]" 1
432 1 18 VAL HB 1 108 ILE MD . . 5.470 3.501 3.501 3.501 . 0 0 "[ ]" 1
433 1 18 VAL HB 1 108 ILE MG . . 6.310 4.291 4.291 4.291 . 0 0 "[ ]" 1
434 1 18 VAL QG 1 19 LEU H . . 5.070 3.088 3.088 3.088 . 0 0 "[ ]" 1
435 1 18 VAL QG 1 19 LEU HA . . 6.790 3.392 3.392 3.392 . 0 0 "[ ]" 1
436 1 18 VAL QG 1 19 LEU QB . . 8.410 4.252 4.252 4.252 . 0 0 "[ ]" 1
437 1 18 VAL QG 1 19 LEU QD . . 10.220 3.782 3.782 3.782 . 0 0 "[ ]" 1
438 1 18 VAL QG 1 19 LEU HG . . 8.090 3.715 3.715 3.715 . 0 0 "[ ]" 1
439 1 18 VAL QG 1 21 ARG H . . 6.630 4.273 4.273 4.273 . 0 0 "[ ]" 1
440 1 18 VAL QG 1 22 ALA MB . . 8.900 2.833 2.833 2.833 . 0 0 "[ ]" 1
441 1 18 VAL QG 1 108 ILE HA . . 7.440 4.236 4.236 4.236 . 0 0 "[ ]" 1
442 1 18 VAL QG 1 108 ILE HB . . 5.480 2.315 2.315 2.315 . 0 0 "[ ]" 1
443 1 18 VAL QG 1 108 ILE MD . . 5.900 2.500 2.500 2.500 . 0 0 "[ ]" 1
444 1 18 VAL QG 1 108 ILE QG . . 7.010 1.874 1.874 1.874 . 0 0 "[ ]" 1
445 1 18 VAL MG1 1 19 LEU H . . 5.940 3.246 3.246 3.246 . 0 0 "[ ]" 1
446 1 18 VAL MG1 1 108 ILE HB . . 5.970 2.320 2.320 2.320 . 0 0 "[ ]" 1
447 1 18 VAL MG1 1 108 ILE MD . . 6.250 2.519 2.519 2.519 . 0 0 "[ ]" 1
448 1 18 VAL MG2 1 19 LEU H . . 5.940 3.867 3.867 3.867 . 0 0 "[ ]" 1
449 1 18 VAL MG2 1 108 ILE HB . . 5.970 4.711 4.711 4.711 . 0 0 "[ ]" 1
450 1 18 VAL MG2 1 108 ILE MD . . 6.250 4.198 4.198 4.198 . 0 0 "[ ]" 1
451 1 19 LEU H 1 19 LEU HB2 . . 3.790 2.137 2.137 2.137 . 0 0 "[ ]" 1
452 1 19 LEU H 1 19 LEU QB . . 3.290 2.117 2.117 2.117 . 0 0 "[ ]" 1
453 1 19 LEU H 1 19 LEU HB3 . . 3.790 3.441 3.441 3.441 . 0 0 "[ ]" 1
454 1 19 LEU H 1 19 LEU MD1 . . 5.470 3.565 3.565 3.565 . 0 0 "[ ]" 1
455 1 19 LEU H 1 19 LEU QD . . 4.940 3.295 3.295 3.295 . 0 0 "[ ]" 1
456 1 19 LEU H 1 19 LEU MD2 . . 5.470 3.878 3.878 3.878 . 0 0 "[ ]" 1
457 1 19 LEU H 1 19 LEU HG . . 3.890 2.824 2.824 2.824 . 0 0 "[ ]" 1
458 1 19 LEU H 1 20 GLU H . . 3.330 2.867 2.867 2.867 . 0 0 "[ ]" 1
459 1 19 LEU H 1 108 ILE MD . . 5.380 4.007 4.007 4.007 . 0 0 "[ ]" 1
460 1 19 LEU HA 1 19 LEU QD . . 4.250 1.963 1.963 1.963 . 0 0 "[ ]" 1
461 1 19 LEU HA 1 23 LEU H . . 3.580 3.413 3.413 3.413 . 0 0 "[ ]" 1
462 1 19 LEU HA 1 108 ILE MG . . 4.200 2.951 2.951 2.951 . 0 0 "[ ]" 1
463 1 19 LEU QB 1 20 GLU H . . 4.330 2.536 2.536 2.536 . 0 0 "[ ]" 1
464 1 19 LEU QB 1 23 LEU H . . 5.040 4.401 4.401 4.401 . 0 0 "[ ]" 1
465 1 19 LEU QD 1 20 GLU H . . 5.870 4.048 4.048 4.048 . 0 0 "[ ]" 1
466 1 19 LEU QD 1 21 ARG H . . 8.100 5.391 5.391 5.391 . 0 0 "[ ]" 1
467 1 19 LEU QD 1 22 ALA MB . . 7.980 3.366 3.366 3.366 . 0 0 "[ ]" 1
468 1 19 LEU QD 1 81 MET ME . . 6.860 3.033 3.033 3.033 . 0 0 "[ ]" 1
469 1 19 LEU QD 1 106 PHE QE . . 8.730 3.172 3.172 3.172 . 0 0 "[ ]" 1
470 1 19 LEU QD 1 108 ILE MD . . 6.720 2.622 2.622 2.622 . 0 0 "[ ]" 1
471 1 19 LEU QD 1 108 ILE MG . . 6.890 3.059 3.059 3.059 . 0 0 "[ ]" 1
472 1 19 LEU MD1 1 20 GLU H . . 6.530 4.465 4.465 4.465 . 0 0 "[ ]" 1
473 1 19 LEU MD1 1 108 ILE MD . . 7.490 3.198 3.198 3.198 . 0 0 "[ ]" 1
474 1 19 LEU MD2 1 20 GLU H . . 6.530 4.634 4.634 4.634 . 0 0 "[ ]" 1
475 1 19 LEU MD2 1 108 ILE MD . . 7.490 2.785 2.785 2.785 . 0 0 "[ ]" 1
476 1 19 LEU HG 1 20 GLU H . . 5.310 4.795 4.795 4.795 . 0 0 "[ ]" 1
477 1 20 GLU H 1 20 GLU HG2 . . 4.350 4.352 4.352 4.352 0.002 1 0 "[ ]" 1
478 1 20 GLU H 1 20 GLU HG3 . . 4.350 4.386 4.386 4.386 0.036 1 0 "[ ]" 1
479 1 20 GLU H 1 21 ARG H . . 3.450 2.749 2.749 2.749 . 0 0 "[ ]" 1
480 1 20 GLU HA 1 20 GLU HG2 . . 3.700 3.622 3.622 3.622 . 0 0 "[ ]" 1
481 1 20 GLU HA 1 20 GLU QG . . 3.490 2.529 2.529 2.529 . 0 0 "[ ]" 1
482 1 20 GLU HA 1 20 GLU HG3 . . 3.700 2.582 2.582 2.582 . 0 0 "[ ]" 1
483 1 20 GLU HA 1 23 LEU QB . . 4.420 2.466 2.466 2.466 . 0 0 "[ ]" 1
484 1 20 GLU HA 1 23 LEU QD . . 6.550 2.663 2.663 2.663 . 0 0 "[ ]" 1
485 1 20 GLU HA 1 24 ALA H . . 3.640 3.670 3.670 3.670 0.030 1 0 "[ ]" 1
486 1 20 GLU HA 1 30 CYS HB2 . . 5.470 2.979 2.979 2.979 . 0 0 "[ ]" 1
487 1 20 GLU HA 1 30 CYS QB . . 5.020 2.203 2.203 2.203 . 0 0 "[ ]" 1
488 1 20 GLU HA 1 30 CYS HB3 . . 5.470 2.269 2.269 2.269 . 0 0 "[ ]" 1
489 1 20 GLU HA 1 31 THR H . . 5.500 5.433 5.433 5.433 . 0 0 "[ ]" 1
490 1 20 GLU QB 1 21 ARG H . . 4.390 2.735 2.735 2.735 . 0 0 "[ ]" 1
491 1 20 GLU QB 1 32 THR MG . . 5.450 2.446 2.446 2.446 . 0 0 "[ ]" 1
492 1 20 GLU QG 1 21 ARG H . . 5.660 3.425 3.425 3.425 . 0 0 "[ ]" 1
493 1 20 GLU QG 1 24 ALA MB . . 6.290 2.712 2.712 2.712 . 0 0 "[ ]" 1
494 1 20 GLU QG 1 30 CYS H . . 6.380 4.915 4.915 4.915 . 0 0 "[ ]" 1
495 1 20 GLU QG 1 30 CYS QB . . 5.340 3.082 3.082 3.082 . 0 0 "[ ]" 1
496 1 20 GLU QG 1 32 THR H . . 6.380 5.513 5.513 5.513 . 0 0 "[ ]" 1
497 1 20 GLU QG 1 32 THR MG . . 6.100 4.068 4.068 4.068 . 0 0 "[ ]" 1
498 1 20 GLU HG2 1 30 CYS HB2 . . 6.350 6.263 6.263 6.263 . 0 0 "[ ]" 1
499 1 20 GLU HG2 1 30 CYS HB3 . . 6.350 4.812 4.812 4.812 . 0 0 "[ ]" 1
500 1 20 GLU HG3 1 30 CYS HB2 . . 6.350 4.735 4.735 4.735 . 0 0 "[ ]" 1
501 1 20 GLU HG3 1 30 CYS HB3 . . 6.350 3.173 3.173 3.173 . 0 0 "[ ]" 1
502 1 21 ARG H 1 21 ARG HB2 . . 3.580 2.776 2.776 2.776 . 0 0 "[ ]" 1
503 1 21 ARG H 1 21 ARG QB . . 3.300 2.137 2.137 2.137 . 0 0 "[ ]" 1
504 1 21 ARG H 1 21 ARG HB3 . . 3.580 2.222 2.222 2.222 . 0 0 "[ ]" 1
505 1 21 ARG H 1 22 ALA H . . 5.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
506 1 21 ARG H 1 23 LEU H . . 4.570 4.038 4.038 4.038 . 0 0 "[ ]" 1
507 1 21 ARG H 1 23 LEU QD . . 8.100 4.574 4.574 4.574 . 0 0 "[ ]" 1
508 1 21 ARG H 1 108 ILE QG . . 6.380 5.658 5.658 5.658 . 0 0 "[ ]" 1
509 1 21 ARG H 1 108 ILE MG . . 6.530 5.201 5.201 5.201 . 0 0 "[ ]" 1
510 1 21 ARG HA 1 24 ALA H . . 3.700 3.458 3.458 3.458 . 0 0 "[ ]" 1
511 1 21 ARG QB 1 22 ALA H . . 4.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
512 1 21 ARG QD 1 22 ALA H . . 6.380 4.426 4.426 4.426 . 0 0 "[ ]" 1
513 1 21 ARG QG 1 25 GLY H . . 6.380 4.413 4.413 4.413 . 0 0 "[ ]" 1
514 1 21 ARG QG 1 26 ALA H . . 6.380 5.797 5.797 5.797 . 0 0 "[ ]" 1
515 1 22 ALA H 1 22 ALA HA . . 2.830 2.795 2.795 2.795 . 0 0 "[ ]" 1
516 1 22 ALA H 1 23 LEU H . . 3.420 2.711 2.711 2.711 . 0 0 "[ ]" 1
517 1 22 ALA HA 1 24 ALA H . . 4.320 4.329 4.329 4.329 0.009 1 0 "[ ]" 1
518 1 22 ALA HA 1 25 GLY H . . 3.760 3.187 3.187 3.187 . 0 0 "[ ]" 1
519 1 22 ALA HA 1 108 ILE MG . . 5.040 3.724 3.724 3.724 . 0 0 "[ ]" 1
520 1 22 ALA MB 1 23 LEU QB . . 5.820 4.154 4.154 4.154 . 0 0 "[ ]" 1
521 1 22 ALA MB 1 23 LEU QD . . 8.200 3.349 3.349 3.349 . 0 0 "[ ]" 1
522 1 22 ALA MB 1 108 ILE MG . . 5.290 1.613 1.613 1.613 . 0 0 "[ ]" 1
523 1 23 LEU H 1 23 LEU HB2 . . 3.450 2.226 2.226 2.226 . 0 0 "[ ]" 1
524 1 23 LEU H 1 23 LEU QB . . 3.080 2.202 2.202 2.202 . 0 0 "[ ]" 1
525 1 23 LEU H 1 23 LEU HB3 . . 3.450 3.485 3.485 3.485 0.035 1 0 "[ ]" 1
526 1 23 LEU H 1 23 LEU MD1 . . 5.540 2.751 2.751 2.751 . 0 0 "[ ]" 1
527 1 23 LEU H 1 23 LEU QD . . 4.830 2.715 2.715 2.715 . 0 0 "[ ]" 1
528 1 23 LEU H 1 23 LEU MD2 . . 5.540 4.158 4.158 4.158 . 0 0 "[ ]" 1
529 1 23 LEU H 1 24 ALA H . . 3.390 2.672 2.672 2.672 . 0 0 "[ ]" 1
530 1 23 LEU H 1 24 ALA MB . . 5.880 4.363 4.363 4.363 . 0 0 "[ ]" 1
531 1 23 LEU H 1 25 GLY H . . 4.070 3.675 3.675 3.675 . 0 0 "[ ]" 1
532 1 23 LEU H 1 112 VAL MG2 . . 5.940 3.240 3.240 3.240 . 0 0 "[ ]" 1
533 1 23 LEU HA 1 23 LEU MD1 . . 4.200 3.636 3.636 3.636 . 0 0 "[ ]" 1
534 1 23 LEU HA 1 23 LEU QD . . 3.800 2.834 2.834 2.834 . 0 0 "[ ]" 1
535 1 23 LEU HA 1 23 LEU MD2 . . 4.200 2.956 2.956 2.956 . 0 0 "[ ]" 1
536 1 23 LEU HA 1 28 LEU H . . 5.500 3.742 3.742 3.742 . 0 0 "[ ]" 1
537 1 23 LEU HA 1 112 VAL MG2 . . 4.670 2.997 2.997 2.997 . 0 0 "[ ]" 1
538 1 23 LEU QB 1 24 ALA H . . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
539 1 23 LEU QB 1 25 GLY H . . 5.510 4.308 4.308 4.308 . 0 0 "[ ]" 1
540 1 23 LEU QB 1 26 ALA H . . 5.570 4.834 4.834 4.834 . 0 0 "[ ]" 1
541 1 23 LEU QB 1 30 CYS H . . 6.380 4.184 4.184 4.184 . 0 0 "[ ]" 1
542 1 23 LEU QB 1 112 VAL MG2 . . 5.880 3.842 3.842 3.842 . 0 0 "[ ]" 1
543 1 23 LEU HB2 1 24 ALA H . . 3.760 2.871 2.871 2.871 . 0 0 "[ ]" 1
544 1 23 LEU HB3 1 24 ALA H . . 3.760 3.587 3.587 3.587 . 0 0 "[ ]" 1
545 1 23 LEU QD 1 24 ALA H . . 7.010 4.075 4.075 4.075 . 0 0 "[ ]" 1
546 1 23 LEU QD 1 25 GLY H . . 8.100 5.134 5.134 5.134 . 0 0 "[ ]" 1
547 1 23 LEU QD 1 26 ALA H . . 7.110 5.237 5.237 5.237 . 0 0 "[ ]" 1
548 1 23 LEU QD 1 26 ALA MB . . 7.140 4.307 4.307 4.307 . 0 0 "[ ]" 1
549 1 23 LEU QD 1 27 GLY H . . 8.100 5.937 5.937 5.937 . 0 0 "[ ]" 1
550 1 23 LEU QD 1 112 VAL H . . 8.100 4.903 4.903 4.903 . 0 0 "[ ]" 1
551 1 23 LEU QD 1 112 VAL HA . . 6.550 3.474 3.474 3.474 . 0 0 "[ ]" 1
552 1 23 LEU HG 1 26 ALA H . . 5.500 5.510 5.510 5.510 0.010 1 0 "[ ]" 1
553 1 24 ALA H 1 25 GLY H . . 3.360 2.431 2.431 2.431 . 0 0 "[ ]" 1
554 1 24 ALA H 1 25 GLY QA . . 4.490 4.176 4.176 4.176 . 0 0 "[ ]" 1
555 1 24 ALA H 1 26 ALA H . . 4.380 4.029 4.029 4.029 . 0 0 "[ ]" 1
556 1 24 ALA HA 1 26 ALA H . . 4.110 4.195 4.195 4.195 0.085 1 0 "[ ]" 1
557 1 24 ALA HA 1 27 GLY H . . 3.480 3.609 3.609 3.609 0.129 1 0 "[ ]" 1
558 1 24 ALA HA 1 28 LEU H . . 3.240 3.122 3.122 3.122 . 0 0 "[ ]" 1
559 1 24 ALA MB 1 25 GLY H . . 4.330 3.338 3.338 3.338 . 0 0 "[ ]" 1
560 1 24 ALA MB 1 25 GLY QA . . 5.200 3.824 3.824 3.824 . 0 0 "[ ]" 1
561 1 24 ALA MB 1 30 CYS H . . 6.530 4.618 4.618 4.618 . 0 0 "[ ]" 1
562 1 25 GLY H 1 26 ALA H . . 2.990 1.996 1.996 1.996 . 0 0 "[ ]" 1
563 1 25 GLY H 1 26 ALA HA . . 4.660 4.677 4.677 4.677 0.017 1 0 "[ ]" 1
564 1 25 GLY H 1 28 LEU QB . . 5.760 5.166 5.166 5.166 . 0 0 "[ ]" 1
565 1 25 GLY QA 1 27 GLY H . . 4.860 3.530 3.530 3.530 . 0 0 "[ ]" 1
566 1 26 ALA H 1 27 GLY H . . 3.270 2.314 2.314 2.314 . 0 0 "[ ]" 1
567 1 26 ALA H 1 27 GLY QA . . 5.170 4.254 4.254 4.254 . 0 0 "[ ]" 1
568 1 26 ALA H 1 28 LEU H . . 3.830 3.389 3.389 3.389 . 0 0 "[ ]" 1
569 1 26 ALA H 1 28 LEU QB . . 5.540 4.320 4.320 4.320 . 0 0 "[ ]" 1
570 1 26 ALA H 1 112 VAL HB . . 5.500 5.626 5.626 5.626 0.126 1 0 "[ ]" 1
571 1 26 ALA H 1 112 VAL MG1 . . 6.030 3.501 3.501 3.501 . 0 0 "[ ]" 1
572 1 26 ALA H 1 112 VAL MG2 . . 6.530 4.840 4.840 4.840 . 0 0 "[ ]" 1
573 1 26 ALA HA 1 27 GLY H . . 3.330 3.384 3.384 3.384 0.054 1 0 "[ ]" 1
574 1 26 ALA MB 1 27 GLY QA . . 6.720 4.057 4.057 4.057 . 0 0 "[ ]" 1
575 1 27 GLY H 1 28 LEU H . . 3.080 2.238 2.238 2.238 . 0 0 "[ ]" 1
576 1 27 GLY H 1 28 LEU QB . . 5.450 4.112 4.112 4.112 . 0 0 "[ ]" 1
577 1 28 LEU H 1 28 LEU HB2 . . 3.420 2.945 2.945 2.945 . 0 0 "[ ]" 1
578 1 28 LEU H 1 28 LEU QB . . 2.960 2.552 2.552 2.552 . 0 0 "[ ]" 1
579 1 28 LEU H 1 28 LEU HB3 . . 3.420 2.797 2.797 2.797 . 0 0 "[ ]" 1
580 1 28 LEU H 1 28 LEU MD1 . . 5.540 4.560 4.560 4.560 . 0 0 "[ ]" 1
581 1 28 LEU H 1 28 LEU QD . . 5.040 3.899 3.899 3.899 . 0 0 "[ ]" 1
582 1 28 LEU H 1 28 LEU MD2 . . 5.540 4.234 4.234 4.234 . 0 0 "[ ]" 1
583 1 28 LEU H 1 29 THR H . . 4.260 4.460 4.460 4.460 0.200 1 0 "[ ]" 1
584 1 28 LEU HA 1 29 THR H . . 2.960 2.477 2.477 2.477 . 0 0 "[ ]" 1
585 1 28 LEU QB 1 29 THR H . . 5.260 3.261 3.261 3.261 . 0 0 "[ ]" 1
586 1 28 LEU QD 1 29 THR H . . 6.360 2.366 2.366 2.366 . 0 0 "[ ]" 1
587 1 28 LEU QD 1 112 VAL H . . 8.100 5.989 5.989 5.989 . 0 0 "[ ]" 1
588 1 28 LEU QD 1 112 VAL HB . . 7.070 5.178 5.178 5.178 . 0 0 "[ ]" 1
589 1 28 LEU QD 1 113 ALA H . . 8.100 5.897 5.897 5.897 . 0 0 "[ ]" 1
590 1 28 LEU QD 1 116 GLU H . . 7.820 3.381 3.381 3.381 . 0 0 "[ ]" 1
591 1 28 LEU QD 1 116 GLU QG . . 7.980 2.077 2.077 2.077 . 0 0 "[ ]" 1
592 1 29 THR H 1 29 THR HB . . 3.240 2.460 2.460 2.460 . 0 0 "[ ]" 1
593 1 29 THR H 1 30 CYS H . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
594 1 29 THR HA 1 30 CYS H . . 2.800 2.346 2.346 2.346 . 0 0 "[ ]" 1
595 1 29 THR HB 1 30 CYS H . . 3.790 3.831 3.831 3.831 0.041 1 0 "[ ]" 1
596 1 29 THR MG 1 30 CYS H . . 4.300 1.926 1.926 1.926 . 0 0 "[ ]" 1
597 1 30 CYS H 1 30 CYS HB2 . . 3.700 3.539 3.539 3.539 . 0 0 "[ ]" 1
598 1 30 CYS H 1 30 CYS QB . . 3.470 2.756 2.756 2.756 . 0 0 "[ ]" 1
599 1 30 CYS H 1 30 CYS HB3 . . 3.700 2.874 2.874 2.874 . 0 0 "[ ]" 1
600 1 30 CYS HA 1 30 CYS HG . . 4.420 3.369 3.369 3.369 . 0 0 "[ ]" 1
601 1 30 CYS HA 1 31 THR H . . 2.990 2.384 2.384 2.384 . 0 0 "[ ]" 1
602 1 30 CYS QB 1 31 THR H . . 4.900 3.525 3.525 3.525 . 0 0 "[ ]" 1
603 1 30 CYS HB2 1 31 THR H . . 5.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
604 1 30 CYS HB3 1 31 THR H . . 5.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
605 1 30 CYS HG 1 31 THR H . . 4.790 2.465 2.465 2.465 . 0 0 "[ ]" 1
606 1 30 CYS HG 1 31 THR MG . . 5.750 4.803 4.803 4.803 . 0 0 "[ ]" 1
607 1 30 CYS HG 1 32 THR H . . 5.500 3.114 3.114 3.114 . 0 0 "[ ]" 1
608 1 31 THR H 1 31 THR HB . . 3.580 2.949 2.949 2.949 . 0 0 "[ ]" 1
609 1 31 THR H 1 32 THR H . . 3.920 3.902 3.902 3.902 . 0 0 "[ ]" 1
610 1 31 THR H 1 32 THR HA . . 5.040 4.412 4.412 4.412 . 0 0 "[ ]" 1
611 1 31 THR H 1 32 THR MG . . 6.530 4.472 4.472 4.472 . 0 0 "[ ]" 1
612 1 31 THR H 1 33 PHE QE . . 7.620 4.798 4.798 4.798 . 0 0 "[ ]" 1
613 1 31 THR HA 1 32 THR H . . 2.710 2.174 2.174 2.174 . 0 0 "[ ]" 1
614 1 31 THR HA 1 32 THR MG . . 5.010 3.944 3.944 3.944 . 0 0 "[ ]" 1
615 1 31 THR HB 1 33 PHE QE . . 7.620 1.987 1.987 1.987 . 0 0 "[ ]" 1
616 1 31 THR MG 1 32 THR H . . 4.230 3.390 3.390 3.390 . 0 0 "[ ]" 1
617 1 31 THR MG 1 32 THR MG . . 7.560 4.909 4.909 4.909 . 0 0 "[ ]" 1
618 1 31 THR MG 1 33 PHE H . . 6.530 5.259 5.259 5.259 . 0 0 "[ ]" 1
619 1 31 THR MG 1 33 PHE QD . . 7.290 3.479 3.479 3.479 . 0 0 "[ ]" 1
620 1 31 THR MG 1 33 PHE QE . . 7.600 2.241 2.241 2.241 . 0 0 "[ ]" 1
621 1 31 THR MG 1 33 PHE HZ . . 4.080 2.096 2.096 2.096 . 0 0 "[ ]" 1
622 1 32 THR H 1 32 THR HB . . 4.070 3.457 3.457 3.457 . 0 0 "[ ]" 1
623 1 32 THR H 1 32 THR MG . . 4.330 2.343 2.343 2.343 . 0 0 "[ ]" 1
624 1 32 THR H 1 33 PHE H . . 4.350 4.574 4.574 4.574 0.224 1 0 "[ ]" 1
625 1 32 THR HA 1 33 PHE H . . 3.080 2.161 2.161 2.161 . 0 0 "[ ]" 1
626 1 32 THR HA 1 33 PHE QD . . 7.620 4.434 4.434 4.434 . 0 0 "[ ]" 1
627 1 32 THR HB 1 33 PHE H . . 3.390 3.504 3.504 3.504 0.114 1 0 "[ ]" 1
628 1 32 THR HB 1 34 GLU H . . 4.790 3.972 3.972 3.972 . 0 0 "[ ]" 1
629 1 32 THR MG 1 33 PHE H . . 5.100 3.909 3.909 3.909 . 0 0 "[ ]" 1
630 1 32 THR MG 1 34 GLU QG . . 7.400 5.513 5.513 5.513 . 0 0 "[ ]" 1
631 1 33 PHE H 1 33 PHE HB2 . . 3.890 2.544 2.544 2.544 . 0 0 "[ ]" 1
632 1 33 PHE H 1 33 PHE QB . . 3.720 2.500 2.500 2.500 . 0 0 "[ ]" 1
633 1 33 PHE H 1 33 PHE HB3 . . 3.890 3.673 3.673 3.673 . 0 0 "[ ]" 1
634 1 33 PHE H 1 35 ASN H . . 5.500 4.709 4.709 4.709 . 0 0 "[ ]" 1
635 1 33 PHE HA 1 34 GLU H . . 2.930 2.449 2.449 2.449 . 0 0 "[ ]" 1
636 1 33 PHE HA 1 35 ASN H . . 3.700 3.685 3.685 3.685 . 0 0 "[ ]" 1
637 1 33 PHE HA 1 38 GLU QB . . 6.160 3.683 3.683 3.683 . 0 0 "[ ]" 1
638 1 33 PHE QB 1 34 GLU H . . 4.550 3.940 3.940 3.940 . 0 0 "[ ]" 1
639 1 33 PHE QB 1 35 ASN H . . 4.830 3.021 3.021 3.021 . 0 0 "[ ]" 1
640 1 33 PHE QB 1 39 VAL H . . 6.380 3.014 3.014 3.014 . 0 0 "[ ]" 1
641 1 33 PHE QD 1 34 GLU H . . 7.620 4.535 4.535 4.535 . 0 0 "[ ]" 1
642 1 33 PHE QD 1 35 ASN H . . 7.620 4.629 4.629 4.629 . 0 0 "[ ]" 1
643 1 33 PHE QD 1 38 GLU QB . . 7.880 2.136 2.136 2.136 . 0 0 "[ ]" 1
644 1 33 PHE QD 1 38 GLU HG2 . . 7.620 4.290 4.290 4.290 . 0 0 "[ ]" 1
645 1 33 PHE QD 1 38 GLU HG3 . . 7.620 4.182 4.182 4.182 . 0 0 "[ ]" 1
646 1 33 PHE QD 1 42 ALA MB . . 7.440 4.198 4.198 4.198 . 0 0 "[ ]" 1
647 1 33 PHE QD 1 43 LEU QD . . 9.070 5.138 5.138 5.138 . 0 0 "[ ]" 1
648 1 33 PHE QD 1 51 LEU QD . . 9.350 4.332 4.332 4.332 . 0 0 "[ ]" 1
649 1 33 PHE QE 1 39 VAL H . . 7.620 5.483 5.483 5.483 . 0 0 "[ ]" 1
650 1 33 PHE QE 1 39 VAL QG . . 9.090 3.407 3.407 3.407 . 0 0 "[ ]" 1
651 1 33 PHE QE 1 42 ALA H . . 7.620 6.141 6.141 6.141 . 0 0 "[ ]" 1
652 1 33 PHE QE 1 42 ALA MB . . 7.130 3.433 3.433 3.433 . 0 0 "[ ]" 1
653 1 33 PHE QE 1 51 LEU QD . . 10.220 4.682 4.682 4.682 . 0 0 "[ ]" 1
654 1 33 PHE HZ 1 42 ALA MB . . 4.110 3.442 3.442 3.442 . 0 0 "[ ]" 1
655 1 34 GLU H 1 34 GLU QB . . 3.620 2.543 2.543 2.543 . 0 0 "[ ]" 1
656 1 34 GLU H 1 34 GLU HG2 . . 4.480 2.979 2.979 2.979 . 0 0 "[ ]" 1
657 1 34 GLU H 1 34 GLU QG . . 4.240 1.991 1.991 1.991 . 0 0 "[ ]" 1
658 1 34 GLU H 1 34 GLU HG3 . . 4.480 2.022 2.022 2.022 . 0 0 "[ ]" 1
659 1 34 GLU H 1 35 ASN H . . 3.270 3.407 3.407 3.407 0.137 1 0 "[ ]" 1
660 1 34 GLU H 1 39 VAL QG . . 8.090 5.597 5.597 5.597 . 0 0 "[ ]" 1
661 1 34 GLU QB 1 35 ASN H . . 4.490 4.118 4.118 4.118 . 0 0 "[ ]" 1
662 1 34 GLU QB 1 35 ASN QD . . 6.310 3.902 3.902 3.902 . 0 0 "[ ]" 1
663 1 34 GLU HB2 1 35 ASN HD21 . . 7.230 5.170 5.170 5.170 . 0 0 "[ ]" 1
664 1 34 GLU HB2 1 35 ASN HD22 . . 7.230 4.598 4.598 4.598 . 0 0 "[ ]" 1
665 1 34 GLU HB3 1 35 ASN HD21 . . 7.230 5.225 5.225 5.225 . 0 0 "[ ]" 1
666 1 34 GLU HB3 1 35 ASN HD22 . . 7.230 4.861 4.861 4.861 . 0 0 "[ ]" 1
667 1 34 GLU QG 1 35 ASN H . . 5.140 4.002 4.002 4.002 . 0 0 "[ ]" 1
668 1 34 GLU QG 1 35 ASN QD . . 6.320 2.093 2.093 2.093 . 0 0 "[ ]" 1
669 1 34 GLU HG2 1 35 ASN HD21 . . 7.250 4.579 4.579 4.579 . 0 0 "[ ]" 1
670 1 34 GLU HG2 1 35 ASN HD22 . . 7.250 3.599 3.599 3.599 . 0 0 "[ ]" 1
671 1 34 GLU HG3 1 35 ASN HD21 . . 7.250 2.853 2.853 2.853 . 0 0 "[ ]" 1
672 1 34 GLU HG3 1 35 ASN HD22 . . 7.250 2.174 2.174 2.174 . 0 0 "[ ]" 1
673 1 35 ASN H 1 35 ASN QB . . 3.860 2.978 2.978 2.978 . 0 0 "[ ]" 1
674 1 35 ASN H 1 36 GLY QA . . 5.940 3.979 3.979 3.979 . 0 0 "[ ]" 1
675 1 35 ASN H 1 39 VAL MG1 . . 6.530 5.370 5.370 5.370 . 0 0 "[ ]" 1
676 1 35 ASN H 1 39 VAL QG . . 6.180 4.294 4.294 4.294 . 0 0 "[ ]" 1
677 1 35 ASN H 1 39 VAL MG2 . . 6.530 4.516 4.516 4.516 . 0 0 "[ ]" 1
678 1 35 ASN HA 1 37 ASN H . . 4.070 3.512 3.512 3.512 . 0 0 "[ ]" 1
679 1 35 ASN QB 1 36 GLY H . . 4.240 3.789 3.789 3.789 . 0 0 "[ ]" 1
680 1 35 ASN QB 1 37 ASN H . . 3.850 2.992 2.992 2.992 . 0 0 "[ ]" 1
681 1 35 ASN QB 1 39 VAL H . . 5.760 3.915 3.915 3.915 . 0 0 "[ ]" 1
682 1 35 ASN HB2 1 37 ASN H . . 4.010 3.829 3.829 3.829 . 0 0 "[ ]" 1
683 1 35 ASN HB3 1 37 ASN H . . 4.010 3.124 3.124 3.124 . 0 0 "[ ]" 1
684 1 35 ASN QD 1 38 GLU QB . . 7.240 2.972 2.972 2.972 . 0 0 "[ ]" 1
685 1 35 ASN QD 1 38 GLU QG . . 6.320 3.623 3.623 3.623 . 0 0 "[ ]" 1
686 1 35 ASN HD21 1 38 GLU HG2 . . 7.250 5.293 5.293 5.293 . 0 0 "[ ]" 1
687 1 35 ASN HD21 1 38 GLU HG3 . . 7.250 3.825 3.825 3.825 . 0 0 "[ ]" 1
688 1 35 ASN HD22 1 38 GLU HG2 . . 7.250 6.616 6.616 6.616 . 0 0 "[ ]" 1
689 1 35 ASN HD22 1 38 GLU HG3 . . 7.250 4.976 4.976 4.976 . 0 0 "[ ]" 1
690 1 36 GLY H 1 37 ASN H . . 3.920 3.000 3.000 3.000 . 0 0 "[ ]" 1
691 1 36 GLY H 1 57 MET ME . . 5.130 2.835 2.835 2.835 . 0 0 "[ ]" 1
692 1 36 GLY QA 1 39 VAL H . . 4.980 3.476 3.476 3.476 . 0 0 "[ ]" 1
693 1 36 GLY QA 1 39 VAL QG . . 5.400 2.849 2.849 2.849 . 0 0 "[ ]" 1
694 1 36 GLY QA 1 40 LEU H . . 5.690 4.236 4.236 4.236 . 0 0 "[ ]" 1
695 1 36 GLY HA2 1 39 VAL MG1 . . 7.010 2.961 2.961 2.961 . 0 0 "[ ]" 1
696 1 36 GLY HA2 1 39 VAL MG2 . . 7.010 4.297 4.297 4.297 . 0 0 "[ ]" 1
697 1 36 GLY HA3 1 39 VAL MG1 . . 7.010 4.127 4.127 4.127 . 0 0 "[ ]" 1
698 1 36 GLY HA3 1 39 VAL MG2 . . 7.010 5.757 5.757 5.757 . 0 0 "[ ]" 1
699 1 37 ASN H 1 37 ASN HB2 . . 3.450 2.064 2.064 2.064 . 0 0 "[ ]" 1
700 1 37 ASN H 1 37 ASN QB . . 3.210 2.031 2.031 2.031 . 0 0 "[ ]" 1
701 1 37 ASN H 1 37 ASN HB3 . . 3.450 3.025 3.025 3.025 . 0 0 "[ ]" 1
702 1 37 ASN H 1 37 ASN HD21 . . 5.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
703 1 37 ASN H 1 37 ASN HD22 . . 5.500 5.004 5.004 5.004 . 0 0 "[ ]" 1
704 1 37 ASN H 1 38 GLU H . . 3.330 2.844 2.844 2.844 . 0 0 "[ ]" 1
705 1 37 ASN H 1 38 GLU HA . . 5.500 5.306 5.306 5.306 . 0 0 "[ ]" 1
706 1 37 ASN H 1 38 GLU QB . . 5.510 4.395 4.395 4.395 . 0 0 "[ ]" 1
707 1 37 ASN H 1 39 VAL H . . 4.290 4.253 4.253 4.253 . 0 0 "[ ]" 1
708 1 37 ASN H 1 39 VAL QG . . 8.090 5.056 5.056 5.056 . 0 0 "[ ]" 1
709 1 37 ASN H 1 40 LEU H . . 5.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
710 1 37 ASN H 1 40 LEU HB2 . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
711 1 37 ASN H 1 40 LEU HB3 . . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
712 1 37 ASN H 1 40 LEU QD . . 8.100 4.285 4.285 4.285 . 0 0 "[ ]" 1
713 1 37 ASN H 1 57 MET ME . . 6.370 5.151 5.151 5.151 . 0 0 "[ ]" 1
714 1 37 ASN HA 1 37 ASN HB2 . . 3.050 2.767 2.767 2.767 . 0 0 "[ ]" 1
715 1 37 ASN HA 1 37 ASN HB3 . . 3.050 2.996 2.996 2.996 . 0 0 "[ ]" 1
716 1 37 ASN HA 1 39 VAL H . . 4.660 4.707 4.707 4.707 0.047 1 0 "[ ]" 1
717 1 37 ASN HA 1 40 LEU H . . 3.450 3.390 3.390 3.390 . 0 0 "[ ]" 1
718 1 37 ASN HA 1 40 LEU HB2 . . 3.450 3.602 3.602 3.602 0.152 1 0 "[ ]" 1
719 1 37 ASN HA 1 40 LEU QB . . 3.120 2.106 2.106 2.106 . 0 0 "[ ]" 1
720 1 37 ASN HA 1 40 LEU HB3 . . 3.450 2.121 2.121 2.121 . 0 0 "[ ]" 1
721 1 37 ASN HA 1 40 LEU QD . . 6.050 1.964 1.964 1.964 . 0 0 "[ ]" 1
722 1 37 ASN HA 1 41 ALA H . . 4.540 4.016 4.016 4.016 . 0 0 "[ ]" 1
723 1 37 ASN QB 1 38 GLU H . . 3.550 2.213 2.213 2.213 . 0 0 "[ ]" 1
724 1 37 ASN HB2 1 38 GLU H . . 3.790 3.149 3.149 3.149 . 0 0 "[ ]" 1
725 1 37 ASN HB3 1 38 GLU H . . 3.790 2.261 2.261 2.261 . 0 0 "[ ]" 1
726 1 38 GLU H 1 38 GLU HG2 . . 4.010 3.818 3.818 3.818 . 0 0 "[ ]" 1
727 1 38 GLU H 1 38 GLU QG . . 3.740 3.184 3.184 3.184 . 0 0 "[ ]" 1
728 1 38 GLU H 1 38 GLU HG3 . . 4.010 3.409 3.409 3.409 . 0 0 "[ ]" 1
729 1 38 GLU H 1 39 VAL H . . 3.520 2.946 2.946 2.946 . 0 0 "[ ]" 1
730 1 38 GLU H 1 40 LEU H . . 4.260 3.751 3.751 3.751 . 0 0 "[ ]" 1
731 1 38 GLU HA 1 38 GLU HG2 . . 3.730 2.007 2.007 2.007 . 0 0 "[ ]" 1
732 1 38 GLU HA 1 38 GLU HG3 . . 3.730 2.987 2.987 2.987 . 0 0 "[ ]" 1
733 1 38 GLU HA 1 39 VAL H . . 3.580 3.634 3.634 3.634 0.054 1 0 "[ ]" 1
734 1 38 GLU HA 1 41 ALA H . . 3.330 3.111 3.111 3.111 . 0 0 "[ ]" 1
735 1 38 GLU HA 1 41 ALA MB . . 3.710 2.786 2.786 2.786 . 0 0 "[ ]" 1
736 1 38 GLU HA 1 42 ALA H . . 4.200 4.193 4.193 4.193 . 0 0 "[ ]" 1
737 1 38 GLU QB 1 39 VAL QG . . 8.810 3.733 3.733 3.733 . 0 0 "[ ]" 1
738 1 38 GLU QB 1 40 LEU H . . 6.070 4.160 4.160 4.160 . 0 0 "[ ]" 1
739 1 38 GLU QB 1 42 ALA H . . 6.190 5.033 5.033 5.033 . 0 0 "[ ]" 1
740 1 38 GLU QG 1 39 VAL H . . 6.380 4.401 4.401 4.401 . 0 0 "[ ]" 1
741 1 38 GLU QG 1 39 VAL HA . . 6.280 5.415 5.415 5.415 . 0 0 "[ ]" 1
742 1 38 GLU QG 1 39 VAL QG . . 8.100 5.310 5.310 5.310 . 0 0 "[ ]" 1
743 1 38 GLU QG 1 41 ALA H . . 6.380 4.764 4.764 4.764 . 0 0 "[ ]" 1
744 1 39 VAL H 1 39 VAL HB . . 3.170 1.966 1.966 1.966 . 0 0 "[ ]" 1
745 1 39 VAL H 1 39 VAL QG . . 4.170 2.864 2.864 2.864 . 0 0 "[ ]" 1
746 1 39 VAL H 1 40 LEU H . . 3.450 2.615 2.615 2.615 . 0 0 "[ ]" 1
747 1 39 VAL H 1 40 LEU QB . . 5.230 4.173 4.173 4.173 . 0 0 "[ ]" 1
748 1 39 VAL H 1 41 ALA H . . 4.480 4.281 4.281 4.281 . 0 0 "[ ]" 1
749 1 39 VAL H 1 42 ALA MB . . 6.530 4.232 4.232 4.232 . 0 0 "[ ]" 1
750 1 39 VAL H 1 43 LEU QB . . 6.380 5.703 5.703 5.703 . 0 0 "[ ]" 1
751 1 39 VAL HA 1 41 ALA H . . 4.880 4.534 4.534 4.534 . 0 0 "[ ]" 1
752 1 39 VAL HA 1 42 ALA H . . 3.420 3.434 3.434 3.434 0.014 1 0 "[ ]" 1
753 1 39 VAL HA 1 42 ALA MB . . 4.390 2.332 2.332 2.332 . 0 0 "[ ]" 1
754 1 39 VAL HA 1 43 LEU H . . 4.510 3.645 3.645 3.645 . 0 0 "[ ]" 1
755 1 39 VAL HB 1 40 LEU H . . 3.610 3.676 3.676 3.676 0.066 1 0 "[ ]" 1
756 1 39 VAL QG 1 40 LEU H . . 4.890 3.105 3.105 3.105 . 0 0 "[ ]" 1
757 1 39 VAL QG 1 42 ALA H . . 8.090 4.267 4.267 4.267 . 0 0 "[ ]" 1
758 1 39 VAL QG 1 43 LEU H . . 6.060 3.949 3.949 3.949 . 0 0 "[ ]" 1
759 1 39 VAL QG 1 43 LEU QD . . 9.540 2.647 2.647 2.647 . 0 0 "[ ]" 1
760 1 39 VAL QG 1 51 LEU QB . . 8.340 4.256 4.256 4.256 . 0 0 "[ ]" 1
761 1 39 VAL QG 1 51 LEU QD . . 9.510 2.173 2.173 2.173 . 0 0 "[ ]" 1
762 1 39 VAL MG1 1 40 LEU H . . 5.660 3.167 3.167 3.167 . 0 0 "[ ]" 1
763 1 39 VAL MG1 1 42 ALA MB . . 7.340 4.325 4.325 4.325 . 0 0 "[ ]" 1
764 1 39 VAL MG1 1 43 LEU H . . 6.530 4.218 4.218 4.218 . 0 0 "[ ]" 1
765 1 39 VAL MG2 1 40 LEU H . . 5.660 4.473 4.473 4.473 . 0 0 "[ ]" 1
766 1 39 VAL MG2 1 42 ALA MB . . 7.340 3.362 3.362 3.362 . 0 0 "[ ]" 1
767 1 39 VAL MG2 1 43 LEU H . . 6.530 4.759 4.759 4.759 . 0 0 "[ ]" 1
768 1 40 LEU H 1 40 LEU HB2 . . 3.240 3.222 3.222 3.222 . 0 0 "[ ]" 1
769 1 40 LEU H 1 40 LEU QB . . 3.020 2.129 2.129 2.129 . 0 0 "[ ]" 1
770 1 40 LEU H 1 40 LEU HB3 . . 3.240 2.160 2.160 2.160 . 0 0 "[ ]" 1
771 1 40 LEU H 1 40 LEU HG . . 3.700 3.876 3.876 3.876 0.176 1 0 "[ ]" 1
772 1 40 LEU H 1 41 ALA H . . 3.360 2.194 2.194 2.194 . 0 0 "[ ]" 1
773 1 40 LEU H 1 42 ALA H . . 3.360 3.261 3.261 3.261 . 0 0 "[ ]" 1
774 1 40 LEU HA 1 40 LEU QD . . 3.950 2.625 2.625 2.625 . 0 0 "[ ]" 1
775 1 40 LEU HA 1 40 LEU HG . . 3.240 3.295 3.295 3.295 0.055 1 0 "[ ]" 1
776 1 40 LEU HA 1 43 LEU H . . 3.550 3.313 3.313 3.313 . 0 0 "[ ]" 1
777 1 40 LEU HA 1 44 ALA H . . 5.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
778 1 40 LEU QB 1 41 ALA H . . 4.490 2.967 2.967 2.967 . 0 0 "[ ]" 1
779 1 40 LEU QB 1 42 ALA H . . 5.380 4.462 4.462 4.462 . 0 0 "[ ]" 1
780 1 40 LEU QD 1 41 ALA H . . 8.040 3.454 3.454 3.454 . 0 0 "[ ]" 1
781 1 40 LEU QD 1 42 ALA H . . 6.260 4.753 4.753 4.753 . 0 0 "[ ]" 1
782 1 40 LEU QD 1 44 ALA MB . . 9.130 2.899 2.899 2.899 . 0 0 "[ ]" 1
783 1 40 LEU QD 1 68 GLN HA . . 6.700 4.274 4.274 4.274 . 0 0 "[ ]" 1
784 1 40 LEU MD1 1 42 ALA H . . 6.530 5.221 5.221 5.221 . 0 0 "[ ]" 1
785 1 40 LEU MD2 1 42 ALA H . . 6.530 5.470 5.470 5.470 . 0 0 "[ ]" 1
786 1 40 LEU HG 1 41 ALA H . . 5.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
787 1 40 LEU HG 1 42 ALA H . . 5.500 4.658 4.658 4.658 . 0 0 "[ ]" 1
788 1 41 ALA H 1 41 ALA HA . . 2.830 2.890 2.890 2.890 0.060 1 0 "[ ]" 1
789 1 41 ALA H 1 41 ALA MB . . 3.640 2.214 2.214 2.214 . 0 0 "[ ]" 1
790 1 41 ALA H 1 42 ALA MB . . 6.090 3.898 3.898 3.898 . 0 0 "[ ]" 1
791 1 41 ALA H 1 43 LEU H . . 4.480 4.001 4.001 4.001 . 0 0 "[ ]" 1
792 1 41 ALA HA 1 44 ALA H . . 3.580 3.525 3.525 3.525 . 0 0 "[ ]" 1
793 1 41 ALA MB 1 43 LEU H . . 5.910 4.817 4.817 4.817 . 0 0 "[ ]" 1
794 1 42 ALA H 1 43 LEU H . . 3.300 1.969 1.969 1.969 . 0 0 "[ ]" 1
795 1 42 ALA H 1 43 LEU QB . . 5.110 3.837 3.837 3.837 . 0 0 "[ ]" 1
796 1 42 ALA H 1 44 ALA H . . 3.860 3.212 3.212 3.212 . 0 0 "[ ]" 1
797 1 42 ALA HA 1 43 LEU H . . 3.610 3.564 3.564 3.564 . 0 0 "[ ]" 1
798 1 42 ALA MB 1 44 ALA H . . 6.060 4.215 4.215 4.215 . 0 0 "[ ]" 1
799 1 42 ALA MB 1 45 SER H . . 6.530 5.025 5.025 5.025 . 0 0 "[ ]" 1
800 1 42 ALA MB 1 46 LYS H . . 6.530 5.505 5.505 5.505 . 0 0 "[ ]" 1
801 1 43 LEU H 1 43 LEU HB2 . . 3.390 2.334 2.334 2.334 . 0 0 "[ ]" 1
802 1 43 LEU H 1 43 LEU QB . . 3.170 2.251 2.251 2.251 . 0 0 "[ ]" 1
803 1 43 LEU H 1 43 LEU HB3 . . 3.390 2.951 2.951 2.951 . 0 0 "[ ]" 1
804 1 43 LEU H 1 44 ALA H . . 3.300 2.353 2.353 2.353 . 0 0 "[ ]" 1
805 1 43 LEU H 1 44 ALA MB . . 5.880 3.722 3.722 3.722 . 0 0 "[ ]" 1
806 1 43 LEU H 1 51 LEU QD . . 8.100 5.145 5.145 5.145 . 0 0 "[ ]" 1
807 1 43 LEU HA 1 43 LEU HG . . 4.110 2.176 2.176 2.176 . 0 0 "[ ]" 1
808 1 43 LEU HA 1 45 SER H . . 4.070 3.370 3.370 3.370 . 0 0 "[ ]" 1
809 1 43 LEU HA 1 46 LYS H . . 3.450 2.822 2.822 2.822 . 0 0 "[ ]" 1
810 1 43 LEU QB 1 44 ALA H . . 4.920 3.584 3.584 3.584 . 0 0 "[ ]" 1
811 1 43 LEU QB 1 45 SER H . . 5.230 4.752 4.752 4.752 . 0 0 "[ ]" 1
812 1 43 LEU QD 1 44 ALA H . . 7.690 4.398 4.398 4.398 . 0 0 "[ ]" 1
813 1 43 LEU QD 1 46 LYS H . . 7.760 4.035 4.035 4.035 . 0 0 "[ ]" 1
814 1 43 LEU QD 1 47 THR H . . 7.760 4.128 4.128 4.128 . 0 0 "[ ]" 1
815 1 43 LEU QD 1 47 THR HA . . 4.020 2.101 2.101 2.101 . 0 0 "[ ]" 1
816 1 43 LEU QD 1 47 THR HB . . 4.970 2.107 2.107 2.107 . 0 0 "[ ]" 1
817 1 43 LEU QD 1 48 PRO QD . . 6.190 1.812 1.812 1.812 . 0 0 "[ ]" 1
818 1 43 LEU QD 1 73 HIS H . . 6.760 3.313 3.313 3.313 . 0 0 "[ ]" 1
819 1 43 LEU QD 1 73 HIS HD2 . . 6.950 1.938 1.938 1.938 . 0 0 "[ ]" 1
820 1 43 LEU MD1 1 47 THR HA . . 4.390 3.178 3.178 3.178 . 0 0 "[ ]" 1
821 1 43 LEU MD1 1 47 THR HB . . 6.060 4.450 4.450 4.450 . 0 0 "[ ]" 1
822 1 43 LEU MD1 1 48 PRO HD2 . . 7.990 1.975 1.975 1.975 . 0 0 "[ ]" 1
823 1 43 LEU MD1 1 48 PRO HD3 . . 7.990 2.254 2.254 2.254 . 0 0 "[ ]" 1
824 1 43 LEU MD2 1 47 THR HA . . 4.390 2.132 2.132 2.132 . 0 0 "[ ]" 1
825 1 43 LEU MD2 1 47 THR HB . . 6.060 2.111 2.111 2.111 . 0 0 "[ ]" 1
826 1 43 LEU MD2 1 48 PRO HD2 . . 7.990 2.732 2.732 2.732 . 0 0 "[ ]" 1
827 1 43 LEU MD2 1 48 PRO HD3 . . 7.990 3.014 3.014 3.014 . 0 0 "[ ]" 1
828 1 43 LEU HG 1 44 ALA H . . 5.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
829 1 44 ALA H 1 44 ALA HA . . 2.900 2.905 2.905 2.905 0.005 1 0 "[ ]" 1
830 1 44 ALA H 1 44 ALA MB . . 3.520 2.109 2.109 2.109 . 0 0 "[ ]" 1
831 1 44 ALA H 1 45 SER H . . 3.140 2.259 2.259 2.259 . 0 0 "[ ]" 1
832 1 44 ALA H 1 46 LYS H . . 3.860 3.624 3.624 3.624 . 0 0 "[ ]" 1
833 1 44 ALA HA 1 45 SER H . . 3.550 3.410 3.410 3.410 . 0 0 "[ ]" 1
834 1 44 ALA HA 1 46 LYS H . . 4.040 4.174 4.174 4.174 0.134 1 0 "[ ]" 1
835 1 44 ALA HA 1 71 GLN HE21 . . 5.500 5.595 5.595 5.595 0.095 1 0 "[ ]" 1
836 1 44 ALA HA 1 71 GLN HE22 . . 5.500 5.577 5.577 5.577 0.077 1 0 "[ ]" 1
837 1 45 SER H 1 45 SER HB2 . . 3.390 2.361 2.361 2.361 . 0 0 "[ ]" 1
838 1 45 SER H 1 45 SER HB3 . . 3.390 3.254 3.254 3.254 . 0 0 "[ ]" 1
839 1 45 SER H 1 46 LYS H . . 2.800 1.903 1.903 1.903 . 0 0 "[ ]" 1
840 1 45 SER H 1 46 LYS HA . . 5.500 4.567 4.567 4.567 . 0 0 "[ ]" 1
841 1 45 SER HA 1 45 SER HB2 . . 2.770 2.885 2.885 2.885 0.115 1 0 "[ ]" 1
842 1 45 SER HA 1 45 SER HB3 . . 2.770 2.878 2.878 2.878 0.108 1 0 "[ ]" 1
843 1 45 SER HA 1 46 LYS H . . 3.420 3.467 3.467 3.467 0.047 1 0 "[ ]" 1
844 1 45 SER HB2 1 46 LYS H . . 3.760 3.580 3.580 3.580 . 0 0 "[ ]" 1
845 1 45 SER HB3 1 46 LYS H . . 3.760 3.567 3.567 3.567 . 0 0 "[ ]" 1
846 1 46 LYS H 1 46 LYS HB2 . . 3.520 3.022 3.022 3.022 . 0 0 "[ ]" 1
847 1 46 LYS H 1 46 LYS HB3 . . 3.520 3.607 3.607 3.607 0.087 1 0 "[ ]" 1
848 1 46 LYS H 1 46 LYS HG2 . . 4.970 4.900 4.900 4.900 . 0 0 "[ ]" 1
849 1 46 LYS H 1 46 LYS QG . . 4.630 4.053 4.053 4.053 . 0 0 "[ ]" 1
850 1 46 LYS H 1 46 LYS HG3 . . 4.970 4.322 4.322 4.322 . 0 0 "[ ]" 1
851 1 46 LYS H 1 47 THR H . . 4.200 4.290 4.290 4.290 0.090 1 0 "[ ]" 1
852 1 46 LYS HA 1 46 LYS QD . . 5.140 3.862 3.862 3.862 . 0 0 "[ ]" 1
853 1 46 LYS HA 1 46 LYS HG2 . . 4.230 2.591 2.591 2.591 . 0 0 "[ ]" 1
854 1 46 LYS HA 1 46 LYS QG . . 3.890 2.099 2.099 2.099 . 0 0 "[ ]" 1
855 1 46 LYS HA 1 46 LYS HG3 . . 4.230 2.219 2.219 2.219 . 0 0 "[ ]" 1
856 1 46 LYS HA 1 47 THR H . . 2.710 2.834 2.834 2.834 0.124 1 0 "[ ]" 1
857 1 46 LYS HA 1 47 THR MG . . 6.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
858 1 46 LYS HB2 1 47 THR H . . 3.450 3.599 3.599 3.599 0.149 1 0 "[ ]" 1
859 1 46 LYS HB3 1 47 THR H . . 3.450 2.071 2.071 2.071 . 0 0 "[ ]" 1
860 1 46 LYS QG 1 47 THR H . . 5.480 2.533 2.533 2.533 . 0 0 "[ ]" 1
861 1 47 THR H 1 47 THR HB . . 3.140 3.307 3.307 3.307 0.167 1 0 "[ ]" 1
862 1 47 THR H 1 48 PRO HD2 . . 5.500 4.944 4.944 4.944 . 0 0 "[ ]" 1
863 1 47 THR H 1 48 PRO HD3 . . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
864 1 47 THR HA 1 48 PRO HD2 . . 3.520 2.436 2.436 2.436 . 0 0 "[ ]" 1
865 1 47 THR HA 1 48 PRO QD . . 3.330 1.829 1.829 1.829 . 0 0 "[ ]" 1
866 1 47 THR HA 1 48 PRO HD3 . . 3.520 1.890 1.890 1.890 . 0 0 "[ ]" 1
867 1 47 THR HB 1 48 PRO HD2 . . 5.280 4.019 4.019 4.019 . 0 0 "[ ]" 1
868 1 47 THR HB 1 48 PRO QD . . 5.050 3.692 3.692 3.692 . 0 0 "[ ]" 1
869 1 47 THR HB 1 48 PRO HD3 . . 5.280 4.302 4.302 4.302 . 0 0 "[ ]" 1
870 1 47 THR HB 1 76 LEU QD . . 7.380 3.871 3.871 3.871 . 0 0 "[ ]" 1
871 1 47 THR MG 1 76 LEU H . . 6.530 5.315 5.315 5.315 . 0 0 "[ ]" 1
872 1 47 THR MG 1 76 LEU QD . . 7.790 2.564 2.564 2.564 . 0 0 "[ ]" 1
873 1 48 PRO HA 1 49 ASP H . . 3.300 2.795 2.795 2.795 . 0 0 "[ ]" 1
874 1 48 PRO HA 1 50 VAL H . . 5.100 4.189 4.189 4.189 . 0 0 "[ ]" 1
875 1 48 PRO QB 1 49 ASP H . . 3.740 1.906 1.906 1.906 . 0 0 "[ ]" 1
876 1 48 PRO QB 1 50 VAL H . . 3.570 2.194 2.194 2.194 . 0 0 "[ ]" 1
877 1 48 PRO HB2 1 49 ASP H . . 4.010 1.924 1.924 1.924 . 0 0 "[ ]" 1
878 1 48 PRO HB2 1 50 VAL H . . 3.830 2.205 2.205 2.205 . 0 0 "[ ]" 1
879 1 48 PRO HB3 1 49 ASP H . . 4.010 3.094 3.094 3.094 . 0 0 "[ ]" 1
880 1 48 PRO HB3 1 50 VAL H . . 3.830 3.939 3.939 3.939 0.109 1 0 "[ ]" 1
881 1 48 PRO QD 1 51 LEU QD . . 5.090 2.457 2.457 2.457 . 0 0 "[ ]" 1
882 1 48 PRO QD 1 76 LEU QD . . 5.760 2.400 2.400 2.400 . 0 0 "[ ]" 1
883 1 48 PRO HD2 1 51 LEU MD1 . . 5.810 2.597 2.597 2.597 . 0 0 "[ ]" 1
884 1 48 PRO HD2 1 51 LEU MD2 . . 5.810 4.394 4.394 4.394 . 0 0 "[ ]" 1
885 1 48 PRO HD2 1 76 LEU MD1 . . 6.950 4.199 4.199 4.199 . 0 0 "[ ]" 1
886 1 48 PRO HD2 1 76 LEU MD2 . . 6.950 2.442 2.442 2.442 . 0 0 "[ ]" 1
887 1 48 PRO HD3 1 51 LEU MD1 . . 5.810 3.129 3.129 3.129 . 0 0 "[ ]" 1
888 1 48 PRO HD3 1 51 LEU MD2 . . 5.810 4.738 4.738 4.738 . 0 0 "[ ]" 1
889 1 48 PRO HD3 1 76 LEU MD1 . . 6.950 5.496 5.496 5.496 . 0 0 "[ ]" 1
890 1 48 PRO HD3 1 76 LEU MD2 . . 6.950 3.854 3.854 3.854 . 0 0 "[ ]" 1
891 1 49 ASP H 1 50 VAL H . . 3.210 2.288 2.288 2.288 . 0 0 "[ ]" 1
892 1 49 ASP H 1 50 VAL HA . . 4.790 4.875 4.875 4.875 0.085 1 0 "[ ]" 1
893 1 49 ASP H 1 76 LEU QD . . 8.100 3.781 3.781 3.781 . 0 0 "[ ]" 1
894 1 49 ASP H 1 76 LEU HG . . 5.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
895 1 49 ASP HA 1 50 VAL H . . 3.610 3.456 3.456 3.456 . 0 0 "[ ]" 1
896 1 49 ASP HA 1 50 VAL MG2 . . 5.780 4.523 4.523 4.523 . 0 0 "[ ]" 1
897 1 49 ASP HA 1 76 LEU QD . . 6.920 3.139 3.139 3.139 . 0 0 "[ ]" 1
898 1 49 ASP HA 1 119 ILE MG . . 5.810 4.681 4.681 4.681 . 0 0 "[ ]" 1
899 1 49 ASP QB 1 50 VAL H . . 4.420 3.183 3.183 3.183 . 0 0 "[ ]" 1
900 1 49 ASP QB 1 50 VAL MG1 . . 6.440 4.214 4.214 4.214 . 0 0 "[ ]" 1
901 1 49 ASP QB 1 119 ILE H . . 6.380 5.747 5.747 5.747 . 0 0 "[ ]" 1
902 1 49 ASP QB 1 119 ILE HA . . 5.820 4.166 4.166 4.166 . 0 0 "[ ]" 1
903 1 49 ASP QB 1 119 ILE MG . . 5.850 2.709 2.709 2.709 . 0 0 "[ ]" 1
904 1 50 VAL H 1 50 VAL HB . . 3.790 3.124 3.124 3.124 . 0 0 "[ ]" 1
905 1 50 VAL H 1 50 VAL MG2 . . 4.640 3.886 3.886 3.886 . 0 0 "[ ]" 1
906 1 50 VAL H 1 51 LEU H . . 4.820 4.320 4.320 4.320 . 0 0 "[ ]" 1
907 1 50 VAL H 1 76 LEU QD . . 7.600 2.649 2.649 2.649 . 0 0 "[ ]" 1
908 1 50 VAL H 1 76 LEU HG . . 5.500 3.841 3.841 3.841 . 0 0 "[ ]" 1
909 1 50 VAL H 1 119 ILE QG . . 6.070 4.886 4.886 4.886 . 0 0 "[ ]" 1
910 1 50 VAL HA 1 51 LEU H . . 3.020 2.535 2.535 2.535 . 0 0 "[ ]" 1
911 1 50 VAL HA 1 76 LEU MD1 . . 5.380 3.747 3.747 3.747 . 0 0 "[ ]" 1
912 1 50 VAL HA 1 76 LEU QD . . 4.890 2.000 2.000 2.000 . 0 0 "[ ]" 1
913 1 50 VAL HA 1 76 LEU MD2 . . 5.380 2.008 2.008 2.008 . 0 0 "[ ]" 1
914 1 50 VAL HB 1 51 LEU H . . 4.040 3.989 3.989 3.989 . 0 0 "[ ]" 1
915 1 50 VAL MG1 1 51 LEU H . . 4.510 1.886 1.886 1.886 . 0 0 "[ ]" 1
916 1 50 VAL MG1 1 51 LEU HA . . 5.410 3.123 3.123 3.123 . 0 0 "[ ]" 1
917 1 50 VAL MG1 1 78 VAL HA . . 4.540 2.905 2.905 2.905 . 0 0 "[ ]" 1
918 1 50 VAL MG1 1 79 ILE H . . 4.950 3.943 3.943 3.943 . 0 0 "[ ]" 1
919 1 50 VAL MG2 1 51 LEU H . . 4.640 2.816 2.816 2.816 . 0 0 "[ ]" 1
920 1 51 LEU H 1 51 LEU HB2 . . 3.760 2.620 2.620 2.620 . 0 0 "[ ]" 1
921 1 51 LEU H 1 51 LEU HB3 . . 3.760 3.323 3.323 3.323 . 0 0 "[ ]" 1
922 1 51 LEU H 1 51 LEU HG . . 5.500 4.678 4.678 4.678 . 0 0 "[ ]" 1
923 1 51 LEU H 1 52 LEU H . . 5.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
924 1 51 LEU H 1 76 LEU QD . . 7.230 3.194 3.194 3.194 . 0 0 "[ ]" 1
925 1 51 LEU H 1 77 PRO QG . . 6.380 5.630 5.630 5.630 . 0 0 "[ ]" 1
926 1 51 LEU H 1 78 VAL HA . . 3.950 2.760 2.760 2.760 . 0 0 "[ ]" 1
927 1 51 LEU H 1 78 VAL MG2 . . 5.540 1.887 1.887 1.887 . 0 0 "[ ]" 1
928 1 51 LEU H 1 79 ILE H . . 4.320 4.384 4.384 4.384 0.064 1 0 "[ ]" 1
929 1 51 LEU HA 1 52 LEU H . . 3.140 2.407 2.407 2.407 . 0 0 "[ ]" 1
930 1 51 LEU HA 1 52 LEU QD . . 7.040 4.886 4.886 4.886 . 0 0 "[ ]" 1
931 1 51 LEU HA 1 53 SER H . . 5.130 4.792 4.792 4.792 . 0 0 "[ ]" 1
932 1 51 LEU QB 1 76 LEU QD . . 6.930 2.898 2.898 2.898 . 0 0 "[ ]" 1
933 1 51 LEU QB 1 78 VAL H . . 6.380 5.017 5.017 5.017 . 0 0 "[ ]" 1
934 1 51 LEU QB 1 78 VAL MG2 . . 5.080 1.749 1.749 1.749 . 0 0 "[ ]" 1
935 1 51 LEU HB2 1 76 LEU MD1 . . 8.640 5.617 5.617 5.617 . 0 0 "[ ]" 1
936 1 51 LEU HB2 1 76 LEU MD2 . . 8.640 2.948 2.948 2.948 . 0 0 "[ ]" 1
937 1 51 LEU HB3 1 76 LEU MD1 . . 8.640 7.039 7.039 7.039 . 0 0 "[ ]" 1
938 1 51 LEU HB3 1 76 LEU MD2 . . 8.640 4.490 4.490 4.490 . 0 0 "[ ]" 1
939 1 51 LEU QD 1 52 LEU H . . 4.410 3.459 3.459 3.459 . 0 0 "[ ]" 1
940 1 51 LEU QD 1 73 HIS HD2 . . 5.060 3.706 3.706 3.706 . 0 0 "[ ]" 1
941 1 51 LEU QD 1 76 LEU QB . . 7.830 3.998 3.998 3.998 . 0 0 "[ ]" 1
942 1 51 LEU QD 1 76 LEU QD . . 7.780 2.576 2.576 2.576 . 0 0 "[ ]" 1
943 1 51 LEU QD 1 78 VAL HB . . 6.950 5.085 5.085 5.085 . 0 0 "[ ]" 1
944 1 51 LEU MD1 1 52 LEU H . . 4.790 3.911 3.911 3.911 . 0 0 "[ ]" 1
945 1 51 LEU MD1 1 76 LEU MD1 . . 9.860 4.856 4.856 4.856 . 0 0 "[ ]" 1
946 1 51 LEU MD1 1 76 LEU MD2 . . 9.860 2.621 2.621 2.621 . 0 0 "[ ]" 1
947 1 51 LEU MD2 1 52 LEU H . . 4.790 3.857 3.857 3.857 . 0 0 "[ ]" 1
948 1 51 LEU MD2 1 76 LEU MD1 . . 9.860 6.042 6.042 6.042 . 0 0 "[ ]" 1
949 1 51 LEU MD2 1 76 LEU MD2 . . 9.860 4.022 4.022 4.022 . 0 0 "[ ]" 1
950 1 52 LEU H 1 52 LEU HB2 . . 3.700 3.131 3.131 3.131 . 0 0 "[ ]" 1
951 1 52 LEU H 1 52 LEU QB . . 3.430 2.702 2.702 2.702 . 0 0 "[ ]" 1
952 1 52 LEU H 1 52 LEU HB3 . . 3.700 2.952 2.952 2.952 . 0 0 "[ ]" 1
953 1 52 LEU H 1 53 SER H . . 4.820 2.959 2.959 2.959 . 0 0 "[ ]" 1
954 1 52 LEU H 1 81 MET ME . . 6.530 4.596 4.596 4.596 . 0 0 "[ ]" 1
955 1 52 LEU HA 1 52 LEU HG . . 3.790 2.771 2.771 2.771 . 0 0 "[ ]" 1
956 1 52 LEU HA 1 53 SER H . . 3.170 2.564 2.564 2.564 . 0 0 "[ ]" 1
957 1 52 LEU HA 1 78 VAL MG1 . . 5.130 3.028 3.028 3.028 . 0 0 "[ ]" 1
958 1 52 LEU HA 1 79 ILE H . . 3.550 3.375 3.375 3.375 . 0 0 "[ ]" 1
959 1 52 LEU HA 1 79 ILE HB . . 4.320 4.399 4.399 4.399 0.079 1 0 "[ ]" 1
960 1 52 LEU HA 1 79 ILE MD . . 6.220 4.482 4.482 4.482 . 0 0 "[ ]" 1
961 1 52 LEU QB 1 53 SER H . . 6.380 4.082 4.082 4.082 . 0 0 "[ ]" 1
962 1 52 LEU QB 1 81 MET ME . . 5.300 3.385 3.385 3.385 . 0 0 "[ ]" 1
963 1 52 LEU QD 1 53 SER H . . 7.450 4.188 4.188 4.188 . 0 0 "[ ]" 1
964 1 52 LEU QD 1 53 SER HA . . 7.070 5.074 5.074 5.074 . 0 0 "[ ]" 1
965 1 52 LEU QD 1 81 MET QB . . 7.050 4.327 4.327 4.327 . 0 0 "[ ]" 1
966 1 52 LEU QD 1 81 MET ME . . 7.980 2.874 2.874 2.874 . 0 0 "[ ]" 1
967 1 52 LEU QD 1 81 MET QG . . 5.320 2.681 2.681 2.681 . 0 0 "[ ]" 1
968 1 52 LEU QD 1 102 LEU QD . . 6.950 2.685 2.685 2.685 . 0 0 "[ ]" 1
969 1 52 LEU MD1 1 81 MET HG2 . . 5.910 3.930 3.930 3.930 . 0 0 "[ ]" 1
970 1 52 LEU MD1 1 81 MET HG3 . . 5.910 2.985 2.985 2.985 . 0 0 "[ ]" 1
971 1 52 LEU MD1 1 102 LEU MD1 . . 8.370 2.781 2.781 2.781 . 0 0 "[ ]" 1
972 1 52 LEU MD1 1 102 LEU MD2 . . 8.370 4.418 4.418 4.418 . 0 0 "[ ]" 1
973 1 52 LEU MD2 1 81 MET HG2 . . 5.910 3.630 3.630 3.630 . 0 0 "[ ]" 1
974 1 52 LEU MD2 1 81 MET HG3 . . 5.910 3.469 3.469 3.469 . 0 0 "[ ]" 1
975 1 52 LEU MD2 1 102 LEU MD1 . . 8.370 3.893 3.893 3.893 . 0 0 "[ ]" 1
976 1 52 LEU MD2 1 102 LEU MD2 . . 8.370 4.793 4.793 4.793 . 0 0 "[ ]" 1
977 1 52 LEU HG 1 53 SER H . . 5.500 4.501 4.501 4.501 . 0 0 "[ ]" 1
978 1 53 SER H 1 54 ASP H . . 5.100 4.628 4.628 4.628 . 0 0 "[ ]" 1
979 1 53 SER H 1 80 ILE MG . . 5.690 4.542 4.542 4.542 . 0 0 "[ ]" 1
980 1 53 SER H 1 81 MET ME . . 5.440 3.700 3.700 3.700 . 0 0 "[ ]" 1
981 1 53 SER HA 1 54 ASP H . . 3.140 2.510 2.510 2.510 . 0 0 "[ ]" 1
982 1 53 SER HA 1 81 MET ME . . 4.880 2.952 2.952 2.952 . 0 0 "[ ]" 1
983 1 54 ASP H 1 81 MET ME . . 4.950 3.062 3.062 3.062 . 0 0 "[ ]" 1
984 1 54 ASP HA 1 55 ILE H . . 3.480 3.091 3.091 3.091 . 0 0 "[ ]" 1
985 1 54 ASP HA 1 80 ILE MG . . 6.220 2.712 2.712 2.712 . 0 0 "[ ]" 1
986 1 54 ASP HA 1 81 MET H . . 3.760 2.361 2.361 2.361 . 0 0 "[ ]" 1
987 1 54 ASP HA 1 81 MET HB2 . . 4.820 2.909 2.909 2.909 . 0 0 "[ ]" 1
988 1 54 ASP HA 1 81 MET QB . . 4.550 2.879 2.879 2.879 . 0 0 "[ ]" 1
989 1 54 ASP HA 1 81 MET HB3 . . 4.820 4.603 4.603 4.603 . 0 0 "[ ]" 1
990 1 54 ASP HA 1 81 MET ME . . 5.100 1.969 1.969 1.969 . 0 0 "[ ]" 1
991 1 54 ASP QB 1 63 LEU QD . . 8.350 5.223 5.223 5.223 . 0 0 "[ ]" 1
992 1 54 ASP QB 1 81 MET ME . . 6.230 2.856 2.856 2.856 . 0 0 "[ ]" 1
993 1 55 ILE H 1 55 ILE HB . . 3.670 3.535 3.535 3.535 . 0 0 "[ ]" 1
994 1 55 ILE H 1 55 ILE MD . . 5.660 1.817 1.817 1.817 . 0 0 "[ ]" 1
995 1 55 ILE HA 1 55 ILE MD . . 4.420 3.412 3.412 3.412 . 0 0 "[ ]" 1
996 1 55 ILE MD 1 56 ARG QG . . 5.790 4.511 4.511 4.511 . 0 0 "[ ]" 1
997 1 55 ILE MD 1 80 ILE MD . . 7.560 4.964 4.964 4.964 . 0 0 "[ ]" 1
998 1 55 ILE MD 1 82 THR MG . . 6.690 4.432 4.432 4.432 . 0 0 "[ ]" 1
999 1 55 ILE MD 1 104 LYS QE . . 7.190 2.253 2.253 2.253 . 0 0 "[ ]" 1
1000 1 55 ILE MG 1 82 THR HA . . 5.630 3.002 3.002 3.002 . 0 0 "[ ]" 1
1001 1 55 ILE MG 1 82 THR HB . . 5.160 4.209 4.209 4.209 . 0 0 "[ ]" 1
1002 1 55 ILE MG 1 104 LYS QE . . 6.570 4.419 4.419 4.419 . 0 0 "[ ]" 1
1003 1 56 ARG QD 1 57 MET ME . . 6.070 3.163 3.163 3.163 . 0 0 "[ ]" 1
1004 1 57 MET HA 1 57 MET ME . . 4.300 3.666 3.666 3.666 . 0 0 "[ ]" 1
1005 1 57 MET QB 1 62 GLY H . . 6.380 4.049 4.049 4.049 . 0 0 "[ ]" 1
1006 1 57 MET QB 1 62 GLY QA . . 6.820 1.889 1.889 1.889 . 0 0 "[ ]" 1
1007 1 57 MET ME 1 65 LEU QD . . 8.160 2.835 2.835 2.835 . 0 0 "[ ]" 1
1008 1 57 MET QG 1 64 ALA H . . 4.830 4.508 4.508 4.508 . 0 0 "[ ]" 1
1009 1 58 PRO HA 1 59 GLY H . . 3.360 3.470 3.470 3.470 0.110 1 0 "[ ]" 1
1010 1 58 PRO HA 1 59 GLY QA . . 4.610 4.510 4.510 4.510 . 0 0 "[ ]" 1
1011 1 58 PRO QB 1 59 GLY H . . 4.190 1.946 1.946 1.946 . 0 0 "[ ]" 1
1012 1 58 PRO QB 1 63 LEU QD . . 8.170 5.529 5.529 5.529 . 0 0 "[ ]" 1
1013 1 58 PRO QB 1 65 LEU QD . . 8.910 5.091 5.091 5.091 . 0 0 "[ ]" 1
1014 1 58 PRO HB2 1 59 GLY H . . 4.350 1.957 1.957 1.957 . 0 0 "[ ]" 1
1015 1 58 PRO HB3 1 59 GLY H . . 4.350 3.457 3.457 3.457 . 0 0 "[ ]" 1
1016 1 58 PRO QD 1 59 GLY H . . 5.210 3.143 3.143 3.143 . 0 0 "[ ]" 1
1017 1 59 GLY H 1 62 GLY QA . . 4.610 3.771 3.771 3.771 . 0 0 "[ ]" 1
1018 1 59 GLY H 1 63 LEU H . . 5.070 4.304 4.304 4.304 . 0 0 "[ ]" 1
1019 1 59 GLY QA 1 64 ALA H . . 4.980 2.184 2.184 2.184 . 0 0 "[ ]" 1
1020 1 62 GLY H 1 63 LEU H . . 4.820 2.187 2.187 2.187 . 0 0 "[ ]" 1
1021 1 62 GLY H 1 66 LEU QD . . 8.100 5.752 5.752 5.752 . 0 0 "[ ]" 1
1022 1 62 GLY QA 1 63 LEU QD . . 6.450 2.680 2.680 2.680 . 0 0 "[ ]" 1
1023 1 62 GLY QA 1 64 ALA H . . 4.140 3.170 3.170 3.170 . 0 0 "[ ]" 1
1024 1 62 GLY QA 1 65 LEU QD . . 8.660 4.945 4.945 4.945 . 0 0 "[ ]" 1
1025 1 62 GLY HA2 1 63 LEU MD1 . . 8.640 3.589 3.589 3.589 . 0 0 "[ ]" 1
1026 1 62 GLY HA2 1 63 LEU MD2 . . 8.640 3.608 3.608 3.608 . 0 0 "[ ]" 1
1027 1 62 GLY HA3 1 63 LEU MD1 . . 8.640 2.977 2.977 2.977 . 0 0 "[ ]" 1
1028 1 62 GLY HA3 1 63 LEU MD2 . . 8.640 3.782 3.782 3.782 . 0 0 "[ ]" 1
1029 1 63 LEU H 1 64 ALA H . . 3.860 1.935 1.935 1.935 . 0 0 "[ ]" 1
1030 1 63 LEU H 1 64 ALA MB . . 4.420 3.340 3.340 3.340 . 0 0 "[ ]" 1
1031 1 63 LEU HA 1 66 LEU QB . . 4.580 3.917 3.917 3.917 . 0 0 "[ ]" 1
1032 1 63 LEU HA 1 66 LEU QD . . 6.830 2.132 2.132 2.132 . 0 0 "[ ]" 1
1033 1 63 LEU QD 1 64 ALA HA . . 6.450 4.385 4.385 4.385 . 0 0 "[ ]" 1
1034 1 63 LEU QD 1 89 ALA HA . . 6.450 4.138 4.138 4.138 . 0 0 "[ ]" 1
1035 1 63 LEU QD 1 90 ALA HA . . 7.110 4.793 4.793 4.793 . 0 0 "[ ]" 1
1036 1 63 LEU QD 1 90 ALA MB . . 8.290 3.682 3.682 3.682 . 0 0 "[ ]" 1
1037 1 63 LEU HG 1 64 ALA H . . 5.310 5.588 5.588 5.588 0.278 1 0 "[ ]" 1
1038 1 64 ALA H 1 65 LEU QD . . 8.100 5.099 5.099 5.099 . 0 0 "[ ]" 1
1039 1 64 ALA H 1 67 LYS QE . . 6.380 5.694 5.694 5.694 . 0 0 "[ ]" 1
1040 1 64 ALA H 1 89 ALA MB . . 6.530 5.386 5.386 5.386 . 0 0 "[ ]" 1
1041 1 65 LEU HA 1 65 LEU HB2 . . 2.930 2.633 2.633 2.633 . 0 0 "[ ]" 1
1042 1 65 LEU HA 1 65 LEU HB3 . . 2.930 2.989 2.989 2.989 0.059 1 0 "[ ]" 1
1043 1 65 LEU QB 1 68 GLN H . . 5.450 4.697 4.697 4.697 . 0 0 "[ ]" 1
1044 1 65 LEU QB 1 68 GLN QE . . 6.320 3.637 3.637 3.637 . 0 0 "[ ]" 1
1045 1 65 LEU HB2 1 68 GLN HE21 . . 7.250 5.014 5.014 5.014 . 0 0 "[ ]" 1
1046 1 65 LEU HB2 1 68 GLN HE22 . . 7.250 4.260 4.260 4.260 . 0 0 "[ ]" 1
1047 1 65 LEU HB3 1 68 GLN HE21 . . 7.250 4.773 4.773 4.773 . 0 0 "[ ]" 1
1048 1 65 LEU HB3 1 68 GLN HE22 . . 7.250 4.519 4.519 4.519 . 0 0 "[ ]" 1
1049 1 65 LEU QD 1 68 GLN H . . 8.100 4.173 4.173 4.173 . 0 0 "[ ]" 1
1050 1 65 LEU QD 1 68 GLN QE . . 8.960 2.096 2.096 2.096 . 0 0 "[ ]" 1
1051 1 65 LEU QD 1 68 GLN QG . . 5.960 4.025 4.025 4.025 . 0 0 "[ ]" 1
1052 1 65 LEU MD1 1 68 GLN HG2 . . 8.030 5.196 5.196 5.196 . 0 0 "[ ]" 1
1053 1 65 LEU MD1 1 68 GLN HG3 . . 8.030 5.209 5.209 5.209 . 0 0 "[ ]" 1
1054 1 65 LEU MD2 1 68 GLN HG2 . . 8.030 4.763 4.763 4.763 . 0 0 "[ ]" 1
1055 1 65 LEU MD2 1 68 GLN HG3 . . 8.030 5.232 5.232 5.232 . 0 0 "[ ]" 1
1056 1 66 LEU HA 1 69 ILE H . . 4.170 3.034 3.034 3.034 . 0 0 "[ ]" 1
1057 1 66 LEU HA 1 69 ILE HB . . 3.300 2.534 2.534 2.534 . 0 0 "[ ]" 1
1058 1 66 LEU HA 1 69 ILE MD . . 4.670 3.985 3.985 3.985 . 0 0 "[ ]" 1
1059 1 66 LEU QB 1 68 GLN QE . . 7.240 5.748 5.748 5.748 . 0 0 "[ ]" 1
1060 1 67 LYS HA 1 67 LYS QD . . 5.140 4.249 4.249 4.249 . 0 0 "[ ]" 1
1061 1 67 LYS HA 1 70 LYS H . . 4.260 3.858 3.858 3.858 . 0 0 "[ ]" 1
1062 1 67 LYS QB 1 68 GLN H . . 4.670 3.010 3.010 3.010 . 0 0 "[ ]" 1
1063 1 67 LYS QB 1 68 GLN QE . . 6.320 3.586 3.586 3.586 . 0 0 "[ ]" 1
1064 1 67 LYS QB 1 71 GLN H . . 5.140 4.488 4.488 4.488 . 0 0 "[ ]" 1
1065 1 67 LYS QB 1 71 GLN QE . . 7.240 5.633 5.633 5.633 . 0 0 "[ ]" 1
1066 1 67 LYS HB2 1 68 GLN HE21 . . 7.250 3.819 3.819 3.819 . 0 0 "[ ]" 1
1067 1 67 LYS HB2 1 68 GLN HE22 . . 7.250 5.226 5.226 5.226 . 0 0 "[ ]" 1
1068 1 67 LYS HB3 1 68 GLN HE21 . . 7.250 4.833 4.833 4.833 . 0 0 "[ ]" 1
1069 1 67 LYS HB3 1 68 GLN HE22 . . 7.250 6.062 6.062 6.062 . 0 0 "[ ]" 1
1070 1 67 LYS QD 1 68 GLN H . . 6.380 2.821 2.821 2.821 . 0 0 "[ ]" 1
1071 1 67 LYS QD 1 71 GLN QE . . 7.240 5.740 5.740 5.740 . 0 0 "[ ]" 1
1072 1 68 GLN H 1 68 GLN QB . . 3.890 2.160 2.160 2.160 . 0 0 "[ ]" 1
1073 1 68 GLN H 1 68 GLN HG2 . . 4.040 4.166 4.166 4.166 0.126 1 0 "[ ]" 1
1074 1 68 GLN H 1 68 GLN HG3 . . 4.040 3.050 3.050 3.050 . 0 0 "[ ]" 1
1075 1 68 GLN H 1 69 ILE H . . 3.860 2.847 2.847 2.847 . 0 0 "[ ]" 1
1076 1 68 GLN HA 1 68 GLN HE21 . . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
1077 1 68 GLN HA 1 68 GLN HE22 . . 5.500 5.097 5.097 5.097 . 0 0 "[ ]" 1
1078 1 68 GLN HA 1 68 GLN HG2 . . 3.450 3.028 3.028 3.028 . 0 0 "[ ]" 1
1079 1 68 GLN HA 1 68 GLN QG . . 3.280 2.063 2.063 2.063 . 0 0 "[ ]" 1
1080 1 68 GLN HA 1 68 GLN HG3 . . 3.450 2.099 2.099 2.099 . 0 0 "[ ]" 1
1081 1 68 GLN HA 1 71 GLN H . . 4.110 3.441 3.441 3.441 . 0 0 "[ ]" 1
1082 1 68 GLN HG2 1 69 ILE H . . 5.160 5.198 5.198 5.198 0.038 1 0 "[ ]" 1
1083 1 68 GLN HG3 1 69 ILE H . . 5.160 4.849 4.849 4.849 . 0 0 "[ ]" 1
1084 1 69 ILE H 1 69 ILE HB . . 3.330 2.462 2.462 2.462 . 0 0 "[ ]" 1
1085 1 69 ILE H 1 69 ILE MD . . 5.010 2.946 2.946 2.946 . 0 0 "[ ]" 1
1086 1 69 ILE H 1 70 LYS H . . 4.110 3.086 3.086 3.086 . 0 0 "[ ]" 1
1087 1 69 ILE HA 1 69 ILE HG12 . . 4.070 3.134 3.134 3.134 . 0 0 "[ ]" 1
1088 1 69 ILE HA 1 69 ILE QG . . 3.840 2.970 2.970 2.970 . 0 0 "[ ]" 1
1089 1 69 ILE HA 1 69 ILE HG13 . . 4.070 3.681 3.681 3.681 . 0 0 "[ ]" 1
1090 1 69 ILE HA 1 72 ARG H . . 4.760 3.458 3.458 3.458 . 0 0 "[ ]" 1
1091 1 69 ILE HA 1 72 ARG HB2 . . 3.830 2.748 2.748 2.748 . 0 0 "[ ]" 1
1092 1 69 ILE HA 1 72 ARG QB . . 3.660 2.700 2.700 2.700 . 0 0 "[ ]" 1
1093 1 69 ILE HA 1 72 ARG HB3 . . 3.830 3.963 3.963 3.963 0.133 1 0 "[ ]" 1
1094 1 69 ILE HA 1 73 HIS HD2 . . 3.300 2.760 2.760 2.760 . 0 0 "[ ]" 1
1095 1 69 ILE HB 1 70 LYS H . . 3.920 2.216 2.216 2.216 . 0 0 "[ ]" 1
1096 1 69 ILE MD 1 70 LYS H . . 6.530 4.517 4.517 4.517 . 0 0 "[ ]" 1
1097 1 69 ILE MD 1 72 ARG QB . . 5.260 3.691 3.691 3.691 . 0 0 "[ ]" 1
1098 1 69 ILE MG 1 70 LYS H . . 5.690 3.016 3.016 3.016 . 0 0 "[ ]" 1
1099 1 69 ILE MG 1 73 HIS QB . . 6.500 4.255 4.255 4.255 . 0 0 "[ ]" 1
1100 1 69 ILE MG 1 76 LEU QB . . 5.790 4.165 4.165 4.165 . 0 0 "[ ]" 1
1101 1 69 ILE MG 1 76 LEU QD . . 7.480 4.371 4.371 4.371 . 0 0 "[ ]" 1
1102 1 69 ILE MG 1 94 TYR QE . . 8.230 4.365 4.365 4.365 . 0 0 "[ ]" 1
1103 1 70 LYS H 1 71 GLN H . . 4.570 2.721 2.721 2.721 . 0 0 "[ ]" 1
1104 1 70 LYS HA 1 70 LYS QD . . 5.010 3.027 3.027 3.027 . 0 0 "[ ]" 1
1105 1 70 LYS HA 1 72 ARG H . . 3.890 3.811 3.811 3.811 . 0 0 "[ ]" 1
1106 1 70 LYS HA 1 73 HIS H . . 3.640 3.168 3.168 3.168 . 0 0 "[ ]" 1
1107 1 70 LYS HA 1 74 PRO HA . . 3.480 2.487 2.487 2.487 . 0 0 "[ ]" 1
1108 1 70 LYS HA 1 75 MET H . . 5.220 4.058 4.058 4.058 . 0 0 "[ ]" 1
1109 1 70 LYS HA 1 94 TYR QE . . 6.300 5.115 5.115 5.115 . 0 0 "[ ]" 1
1110 1 70 LYS QD 1 71 GLN HA . . 5.070 4.332 4.332 4.332 . 0 0 "[ ]" 1
1111 1 70 LYS QD 1 75 MET H . . 6.380 3.850 3.850 3.850 . 0 0 "[ ]" 1
1112 1 70 LYS QD 1 76 LEU H . . 6.380 5.544 5.544 5.544 . 0 0 "[ ]" 1
1113 1 71 GLN H 1 71 GLN HB2 . . 3.390 2.345 2.345 2.345 . 0 0 "[ ]" 1
1114 1 71 GLN H 1 71 GLN QB . . 3.180 2.187 2.187 2.187 . 0 0 "[ ]" 1
1115 1 71 GLN H 1 71 GLN HB3 . . 3.390 2.615 2.615 2.615 . 0 0 "[ ]" 1
1116 1 71 GLN H 1 71 GLN HG2 . . 4.480 4.353 4.353 4.353 . 0 0 "[ ]" 1
1117 1 71 GLN H 1 71 GLN QG . . 4.120 3.903 3.903 3.903 . 0 0 "[ ]" 1
1118 1 71 GLN H 1 71 GLN HG3 . . 4.480 4.412 4.412 4.412 . 0 0 "[ ]" 1
1119 1 71 GLN H 1 72 ARG H . . 3.890 2.635 2.635 2.635 . 0 0 "[ ]" 1
1120 1 71 GLN HA 1 71 GLN HE21 . . 5.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
1121 1 71 GLN HA 1 71 GLN HE22 . . 5.500 5.437 5.437 5.437 . 0 0 "[ ]" 1
1122 1 71 GLN HA 1 71 GLN HG2 . . 3.790 2.413 2.413 2.413 . 0 0 "[ ]" 1
1123 1 71 GLN HA 1 71 GLN QG . . 3.570 2.323 2.323 2.323 . 0 0 "[ ]" 1
1124 1 71 GLN HA 1 71 GLN HG3 . . 3.790 3.029 3.029 3.029 . 0 0 "[ ]" 1
1125 1 71 GLN HA 1 72 ARG H . . 3.640 3.503 3.503 3.503 . 0 0 "[ ]" 1
1126 1 71 GLN HA 1 74 PRO QG . . 4.520 3.095 3.095 3.095 . 0 0 "[ ]" 1
1127 1 71 GLN QB 1 72 ARG H . . 3.820 3.031 3.031 3.031 . 0 0 "[ ]" 1
1128 1 71 GLN QB 1 73 HIS H . . 6.160 5.027 5.027 5.027 . 0 0 "[ ]" 1
1129 1 71 GLN HB2 1 72 ARG H . . 4.040 4.077 4.077 4.077 0.037 1 0 "[ ]" 1
1130 1 71 GLN HB3 1 72 ARG H . . 4.040 3.125 3.125 3.125 . 0 0 "[ ]" 1
1131 1 72 ARG H 1 72 ARG QB . . 3.850 2.152 2.152 2.152 . 0 0 "[ ]" 1
1132 1 72 ARG H 1 72 ARG HG2 . . 4.480 4.349 4.349 4.349 . 0 0 "[ ]" 1
1133 1 72 ARG H 1 72 ARG QG . . 4.240 3.899 3.899 3.899 . 0 0 "[ ]" 1
1134 1 72 ARG H 1 72 ARG HG3 . . 4.480 4.404 4.404 4.404 . 0 0 "[ ]" 1
1135 1 72 ARG H 1 73 HIS H . . 3.730 2.250 2.250 2.250 . 0 0 "[ ]" 1
1136 1 72 ARG H 1 73 HIS HD2 . . 5.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
1137 1 72 ARG HA 1 72 ARG HD2 . . 4.320 2.772 2.772 2.772 . 0 0 "[ ]" 1
1138 1 72 ARG HA 1 72 ARG HD3 . . 4.320 3.754 3.754 3.754 . 0 0 "[ ]" 1
1139 1 72 ARG HA 1 72 ARG HG2 . . 3.890 3.580 3.580 3.580 . 0 0 "[ ]" 1
1140 1 72 ARG HA 1 72 ARG QG . . 3.720 2.436 2.436 2.436 . 0 0 "[ ]" 1
1141 1 72 ARG HA 1 72 ARG HG3 . . 3.890 2.479 2.479 2.479 . 0 0 "[ ]" 1
1142 1 72 ARG QB 1 73 HIS HD2 . . 3.960 1.839 1.839 1.839 . 0 0 "[ ]" 1
1143 1 72 ARG QG 1 73 HIS H . . 6.160 4.504 4.504 4.504 . 0 0 "[ ]" 1
1144 1 72 ARG QG 1 73 HIS HD2 . . 4.180 3.714 3.714 3.714 . 0 0 "[ ]" 1
1145 1 73 HIS H 1 73 HIS HD2 . . 5.500 2.048 2.048 2.048 . 0 0 "[ ]" 1
1146 1 73 HIS H 1 74 PRO HD2 . . 5.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
1147 1 73 HIS H 1 74 PRO HD3 . . 5.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
1148 1 73 HIS H 1 74 PRO QG . . 6.380 4.540 4.540 4.540 . 0 0 "[ ]" 1
1149 1 73 HIS H 1 76 LEU QD . . 7.760 4.777 4.777 4.777 . 0 0 "[ ]" 1
1150 1 73 HIS HA 1 74 PRO HD2 . . 3.450 2.336 2.336 2.336 . 0 0 "[ ]" 1
1151 1 73 HIS HA 1 74 PRO QD . . 3.250 2.181 2.181 2.181 . 0 0 "[ ]" 1
1152 1 73 HIS HA 1 74 PRO HD3 . . 3.450 2.612 2.612 2.612 . 0 0 "[ ]" 1
1153 1 73 HIS HA 1 74 PRO QG . . 5.380 4.131 4.131 4.131 . 0 0 "[ ]" 1
1154 1 73 HIS HA 1 75 MET H . . 4.170 4.249 4.249 4.249 0.079 1 0 "[ ]" 1
1155 1 73 HIS HA 1 76 LEU H . . 4.970 4.125 4.125 4.125 . 0 0 "[ ]" 1
1156 1 73 HIS QB 1 75 MET H . . 5.660 3.624 3.624 3.624 . 0 0 "[ ]" 1
1157 1 73 HIS QB 1 76 LEU H . . 5.110 2.682 2.682 2.682 . 0 0 "[ ]" 1
1158 1 73 HIS QB 1 76 LEU HB2 . . 6.380 1.892 1.892 1.892 . 0 0 "[ ]" 1
1159 1 73 HIS QB 1 76 LEU QB . . 6.210 1.884 1.884 1.884 . 0 0 "[ ]" 1
1160 1 73 HIS QB 1 76 LEU HB3 . . 6.380 3.451 3.451 3.451 . 0 0 "[ ]" 1
1161 1 73 HIS QB 1 76 LEU MD1 . . 7.310 2.343 2.343 2.343 . 0 0 "[ ]" 1
1162 1 73 HIS QB 1 76 LEU QD . . 6.890 2.013 2.013 2.013 . 0 0 "[ ]" 1
1163 1 73 HIS QB 1 76 LEU MD2 . . 7.310 2.193 2.193 2.193 . 0 0 "[ ]" 1
1164 1 73 HIS HE1 1 76 LEU QB . . 4.890 3.734 3.734 3.734 . 0 0 "[ ]" 1
1165 1 73 HIS HE1 1 78 VAL MG2 . . 3.550 1.865 1.865 1.865 . 0 0 "[ ]" 1
1166 1 74 PRO HA 1 76 LEU H . . 4.140 4.215 4.215 4.215 0.075 1 0 "[ ]" 1
1167 1 74 PRO HD2 1 75 MET H . . 5.340 4.472 4.472 4.472 . 0 0 "[ ]" 1
1168 1 74 PRO HD3 1 75 MET H . . 5.340 4.939 4.939 4.939 . 0 0 "[ ]" 1
1169 1 75 MET H 1 75 MET HB2 . . 3.550 3.643 3.643 3.643 0.093 1 0 "[ ]" 1
1170 1 75 MET H 1 75 MET QB . . 3.210 2.957 2.957 2.957 . 0 0 "[ ]" 1
1171 1 75 MET H 1 75 MET HB3 . . 3.550 3.128 3.128 3.128 . 0 0 "[ ]" 1
1172 1 75 MET H 1 75 MET HG2 . . 4.790 4.626 4.626 4.626 . 0 0 "[ ]" 1
1173 1 75 MET H 1 75 MET QG . . 4.390 4.100 4.100 4.100 . 0 0 "[ ]" 1
1174 1 75 MET H 1 75 MET HG3 . . 4.790 4.578 4.578 4.578 . 0 0 "[ ]" 1
1175 1 75 MET H 1 76 LEU H . . 3.390 1.841 1.841 1.841 . 0 0 "[ ]" 1
1176 1 75 MET H 1 76 LEU HA . . 4.630 4.348 4.348 4.348 . 0 0 "[ ]" 1
1177 1 75 MET H 1 76 LEU QD . . 8.100 3.998 3.998 3.998 . 0 0 "[ ]" 1
1178 1 75 MET HA 1 75 MET ME . . 4.450 3.444 3.444 3.444 . 0 0 "[ ]" 1
1179 1 75 MET HA 1 75 MET HG2 . . 4.070 3.589 3.589 3.589 . 0 0 "[ ]" 1
1180 1 75 MET HA 1 75 MET QG . . 3.640 2.506 2.506 2.506 . 0 0 "[ ]" 1
1181 1 75 MET HA 1 75 MET HG3 . . 4.070 2.558 2.558 2.558 . 0 0 "[ ]" 1
1182 1 75 MET HG2 1 76 LEU H . . 5.500 3.852 3.852 3.852 . 0 0 "[ ]" 1
1183 1 75 MET HG3 1 76 LEU H . . 5.500 4.398 4.398 4.398 . 0 0 "[ ]" 1
1184 1 76 LEU H 1 76 LEU HB2 . . 3.270 2.006 2.006 2.006 . 0 0 "[ ]" 1
1185 1 76 LEU H 1 76 LEU HB3 . . 3.270 3.303 3.303 3.303 0.033 1 0 "[ ]" 1
1186 1 76 LEU H 1 76 LEU MD1 . . 5.850 2.662 2.662 2.662 . 0 0 "[ ]" 1
1187 1 76 LEU H 1 76 LEU MD2 . . 5.850 3.909 3.909 3.909 . 0 0 "[ ]" 1
1188 1 76 LEU H 1 77 PRO HD2 . . 5.500 5.003 5.003 5.003 . 0 0 "[ ]" 1
1189 1 76 LEU H 1 77 PRO HD3 . . 5.500 4.527 4.527 4.527 . 0 0 "[ ]" 1
1190 1 76 LEU HA 1 76 LEU HG . . 4.110 2.520 2.520 2.520 . 0 0 "[ ]" 1
1191 1 76 LEU HA 1 77 PRO HD2 . . 3.890 2.415 2.415 2.415 . 0 0 "[ ]" 1
1192 1 76 LEU HA 1 77 PRO QD . . 3.710 1.841 1.841 1.841 . 0 0 "[ ]" 1
1193 1 76 LEU HA 1 77 PRO HD3 . . 3.890 1.909 1.909 1.909 . 0 0 "[ ]" 1
1194 1 76 LEU QB 1 78 VAL MG2 . . 5.330 2.162 2.162 2.162 . 0 0 "[ ]" 1
1195 1 76 LEU QD 1 77 PRO QD . . 6.130 2.874 2.874 2.874 . 0 0 "[ ]" 1
1196 1 76 LEU QD 1 78 VAL H . . 8.100 4.598 4.598 4.598 . 0 0 "[ ]" 1
1197 1 76 LEU QD 1 78 VAL MG2 . . 8.200 2.886 2.886 2.886 . 0 0 "[ ]" 1
1198 1 76 LEU MD1 1 77 PRO HD2 . . 7.930 3.445 3.445 3.445 . 0 0 "[ ]" 1
1199 1 76 LEU MD1 1 77 PRO HD3 . . 7.930 3.237 3.237 3.237 . 0 0 "[ ]" 1
1200 1 76 LEU MD2 1 77 PRO HD2 . . 7.930 4.031 4.031 4.031 . 0 0 "[ ]" 1
1201 1 76 LEU MD2 1 77 PRO HD3 . . 7.930 4.873 4.873 4.873 . 0 0 "[ ]" 1
1202 1 77 PRO HA 1 78 VAL H . . 2.930 2.609 2.609 2.609 . 0 0 "[ ]" 1
1203 1 78 VAL H 1 78 VAL HB . . 3.670 2.252 2.252 2.252 . 0 0 "[ ]" 1
1204 1 78 VAL H 1 78 VAL MG2 . . 4.790 2.480 2.480 2.480 . 0 0 "[ ]" 1
1205 1 78 VAL HA 1 79 ILE H . . 3.140 2.321 2.321 2.321 . 0 0 "[ ]" 1
1206 1 78 VAL HB 1 79 ILE H . . 4.970 4.081 4.081 4.081 . 0 0 "[ ]" 1
1207 1 78 VAL MG2 1 79 ILE H . . 5.380 3.774 3.774 3.774 . 0 0 "[ ]" 1
1208 1 79 ILE H 1 79 ILE HB . . 3.920 2.661 2.661 2.661 . 0 0 "[ ]" 1
1209 1 79 ILE H 1 79 ILE MD . . 5.810 2.901 2.901 2.901 . 0 0 "[ ]" 1
1210 1 79 ILE MD 1 115 VAL H . . 5.320 3.681 3.681 3.681 . 0 0 "[ ]" 1
1211 1 79 ILE MD 1 115 VAL HA . . 4.540 3.373 3.373 3.373 . 0 0 "[ ]" 1
1212 1 79 ILE QG 1 99 PHE HA . . 4.340 4.003 4.003 4.003 . 0 0 "[ ]" 1
1213 1 79 ILE QG 1 99 PHE QD . . 6.480 4.540 4.540 4.540 . 0 0 "[ ]" 1
1214 1 79 ILE QG 1 101 TYR H . . 6.380 4.783 4.783 4.783 . 0 0 "[ ]" 1
1215 1 79 ILE QG 1 102 LEU QD . . 6.060 3.364 3.364 3.364 . 0 0 "[ ]" 1
1216 1 79 ILE HG12 1 99 PHE HA . . 4.510 4.587 4.587 4.587 0.077 1 0 "[ ]" 1
1217 1 79 ILE HG13 1 99 PHE HA . . 4.510 4.411 4.411 4.411 . 0 0 "[ ]" 1
1218 1 79 ILE MG 1 99 PHE HA . . 5.160 4.211 4.211 4.211 . 0 0 "[ ]" 1
1219 1 79 ILE MG 1 101 TYR H . . 6.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
1220 1 79 ILE MG 1 101 TYR HA . . 5.230 2.176 2.176 2.176 . 0 0 "[ ]" 1
1221 1 79 ILE MG 1 102 LEU H . . 5.630 1.828 1.828 1.828 . 0 0 "[ ]" 1
1222 1 79 ILE MG 1 102 LEU QD . . 9.060 1.660 1.660 1.660 . 0 0 "[ ]" 1
1223 1 79 ILE MG 1 102 LEU HG . . 6.090 3.205 3.205 3.205 . 0 0 "[ ]" 1
1224 1 79 ILE MG 1 114 LEU QB . . 6.600 4.564 4.564 4.564 . 0 0 "[ ]" 1
1225 1 79 ILE MG 1 114 LEU MD1 . . 6.660 3.697 3.697 3.697 . 0 0 "[ ]" 1
1226 1 79 ILE MG 1 114 LEU QD . . 5.980 2.127 2.127 2.127 . 0 0 "[ ]" 1
1227 1 79 ILE MG 1 114 LEU MD2 . . 6.660 2.140 2.140 2.140 . 0 0 "[ ]" 1
1228 1 80 ILE H 1 80 ILE HB . . 4.070 3.293 3.293 3.293 . 0 0 "[ ]" 1
1229 1 80 ILE H 1 101 TYR HA . . 4.140 4.285 4.285 4.285 0.145 1 0 "[ ]" 1
1230 1 80 ILE HB 1 101 TYR HA . . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
1231 1 80 ILE MD 1 81 MET H . . 6.530 3.182 3.182 3.182 . 0 0 "[ ]" 1
1232 1 80 ILE MD 1 101 TYR QE . . 7.200 3.832 3.832 3.832 . 0 0 "[ ]" 1
1233 1 80 ILE MG 1 81 MET H . . 5.230 2.033 2.033 2.033 . 0 0 "[ ]" 1
1234 1 80 ILE MG 1 81 MET QB . . 5.260 3.736 3.736 3.736 . 0 0 "[ ]" 1
1235 1 80 ILE MG 1 82 THR HB . . 5.690 4.780 4.780 4.780 . 0 0 "[ ]" 1
1236 1 80 ILE MG 1 82 THR MG . . 6.250 2.332 2.332 2.332 . 0 0 "[ ]" 1
1237 1 80 ILE MG 1 101 TYR HA . . 6.470 3.440 3.440 3.440 . 0 0 "[ ]" 1
1238 1 80 ILE MG 1 101 TYR QD . . 8.640 1.906 1.906 1.906 . 0 0 "[ ]" 1
1239 1 80 ILE MG 1 101 TYR QE . . 8.660 3.297 3.297 3.297 . 0 0 "[ ]" 1
1240 1 81 MET H 1 81 MET ME . . 5.470 2.203 2.203 2.203 . 0 0 "[ ]" 1
1241 1 81 MET HA 1 81 MET ME . . 5.100 4.051 4.051 4.051 . 0 0 "[ ]" 1
1242 1 81 MET HA 1 82 THR H . . 3.270 2.375 2.375 2.375 . 0 0 "[ ]" 1
1243 1 81 MET HA 1 82 THR MG . . 5.810 3.027 3.027 3.027 . 0 0 "[ ]" 1
1244 1 81 MET HA 1 102 LEU H . . 3.700 3.711 3.711 3.711 0.011 1 0 "[ ]" 1
1245 1 81 MET HA 1 102 LEU HB2 . . 4.480 3.255 3.255 3.255 . 0 0 "[ ]" 1
1246 1 81 MET HA 1 102 LEU QB . . 4.240 3.197 3.197 3.197 . 0 0 "[ ]" 1
1247 1 81 MET HA 1 102 LEU HB3 . . 4.480 4.675 4.675 4.675 0.195 1 0 "[ ]" 1
1248 1 81 MET QB 1 82 THR H . . 4.110 2.731 2.731 2.731 . 0 0 "[ ]" 1
1249 1 81 MET HB2 1 82 THR H . . 4.320 3.790 3.790 3.790 . 0 0 "[ ]" 1
1250 1 81 MET HB3 1 82 THR H . . 4.320 2.801 2.801 2.801 . 0 0 "[ ]" 1
1251 1 81 MET ME 1 102 LEU QD . . 9.130 4.982 4.982 4.982 . 0 0 "[ ]" 1
1252 1 81 MET ME 1 106 PHE QE . . 8.650 4.597 4.597 4.597 . 0 0 "[ ]" 1
1253 1 81 MET QG 1 82 THR H . . 6.380 4.135 4.135 4.135 . 0 0 "[ ]" 1
1254 1 81 MET QG 1 102 LEU QB . . 5.490 3.476 3.476 3.476 . 0 0 "[ ]" 1
1255 1 81 MET QG 1 102 LEU QD . . 5.970 3.540 3.540 3.540 . 0 0 "[ ]" 1
1256 1 81 MET QG 1 104 LYS QG . . 6.850 4.890 4.890 4.890 . 0 0 "[ ]" 1
1257 1 81 MET QG 1 106 PHE H . . 6.380 5.448 5.448 5.448 . 0 0 "[ ]" 1
1258 1 81 MET HG2 1 102 LEU HB2 . . 6.420 3.837 3.837 3.837 . 0 0 "[ ]" 1
1259 1 81 MET HG2 1 102 LEU HB3 . . 6.420 5.089 5.089 5.089 . 0 0 "[ ]" 1
1260 1 81 MET HG2 1 102 LEU MD1 . . 7.230 4.229 4.229 4.229 . 0 0 "[ ]" 1
1261 1 81 MET HG2 1 102 LEU MD2 . . 7.230 4.920 4.920 4.920 . 0 0 "[ ]" 1
1262 1 81 MET HG3 1 102 LEU HB2 . . 6.420 4.245 4.245 4.245 . 0 0 "[ ]" 1
1263 1 81 MET HG3 1 102 LEU HB3 . . 6.420 5.842 5.842 5.842 . 0 0 "[ ]" 1
1264 1 81 MET HG3 1 102 LEU MD1 . . 7.230 4.044 4.044 4.044 . 0 0 "[ ]" 1
1265 1 81 MET HG3 1 102 LEU MD2 . . 7.230 5.561 5.561 5.561 . 0 0 "[ ]" 1
1266 1 82 THR H 1 102 LEU H . . 4.940 5.019 5.019 5.019 0.079 1 0 "[ ]" 1
1267 1 82 THR H 1 102 LEU QB . . 6.380 4.115 4.115 4.115 . 0 0 "[ ]" 1
1268 1 82 THR H 1 103 PRO HA . . 3.700 3.697 3.697 3.697 . 0 0 "[ ]" 1
1269 1 82 THR H 1 104 LYS HG2 . . 5.500 3.689 3.689 3.689 . 0 0 "[ ]" 1
1270 1 82 THR H 1 104 LYS HG3 . . 5.500 4.708 4.708 4.708 . 0 0 "[ ]" 1
1271 1 82 THR HA 1 83 ALA H . . 3.550 2.399 2.399 2.399 . 0 0 "[ ]" 1
1272 1 82 THR HB 1 83 ALA H . . 4.260 2.706 2.706 2.706 . 0 0 "[ ]" 1
1273 1 82 THR MG 1 83 ALA H . . 6.530 4.026 4.026 4.026 . 0 0 "[ ]" 1
1274 1 82 THR MG 1 86 ASP QB . . 6.350 2.977 2.977 2.977 . 0 0 "[ ]" 1
1275 1 82 THR MG 1 87 LEU H . . 6.530 4.263 4.263 4.263 . 0 0 "[ ]" 1
1276 1 82 THR MG 1 87 LEU HA . . 5.160 2.360 2.360 2.360 . 0 0 "[ ]" 1
1277 1 82 THR MG 1 87 LEU QD . . 7.730 2.177 2.177 2.177 . 0 0 "[ ]" 1
1278 1 82 THR MG 1 88 ASP H . . 6.530 5.285 5.285 5.285 . 0 0 "[ ]" 1
1279 1 82 THR MG 1 90 ALA H . . 6.430 4.324 4.324 4.324 . 0 0 "[ ]" 1
1280 1 82 THR MG 1 90 ALA MB . . 6.530 2.522 2.522 2.522 . 0 0 "[ ]" 1
1281 1 82 THR MG 1 101 TYR QD . . 7.610 3.062 3.062 3.062 . 0 0 "[ ]" 1
1282 1 82 THR MG 1 101 TYR QE . . 7.080 4.671 4.671 4.671 . 0 0 "[ ]" 1
1283 1 82 THR MG 1 104 LYS QB . . 6.290 4.349 4.349 4.349 . 0 0 "[ ]" 1
1284 1 82 THR MG 1 104 LYS QD . . 5.880 4.271 4.271 4.271 . 0 0 "[ ]" 1
1285 1 83 ALA MB 1 84 HIS QB . . 6.910 3.997 3.997 3.997 . 0 0 "[ ]" 1
1286 1 83 ALA MB 1 86 ASP H . . 5.570 3.758 3.758 3.758 . 0 0 "[ ]" 1
1287 1 83 ALA MB 1 86 ASP HB2 . . 5.380 3.584 3.584 3.584 . 0 0 "[ ]" 1
1288 1 83 ALA MB 1 86 ASP QB . . 5.230 3.424 3.424 3.424 . 0 0 "[ ]" 1
1289 1 83 ALA MB 1 86 ASP HB3 . . 5.380 4.345 4.345 4.345 . 0 0 "[ ]" 1
1290 1 84 HIS HA 1 87 LEU H . . 4.910 4.136 4.136 4.136 . 0 0 "[ ]" 1
1291 1 84 HIS HA 1 87 LEU HB2 . . 3.890 3.522 3.522 3.522 . 0 0 "[ ]" 1
1292 1 84 HIS HA 1 87 LEU HB3 . . 3.890 3.397 3.397 3.397 . 0 0 "[ ]" 1
1293 1 84 HIS HA 1 87 LEU QD . . 6.240 3.657 3.657 3.657 . 0 0 "[ ]" 1
1294 1 84 HIS HA 1 103 PRO HB2 . . 5.040 4.130 4.130 4.130 . 0 0 "[ ]" 1
1295 1 84 HIS HA 1 103 PRO QB . . 4.830 3.305 3.305 3.305 . 0 0 "[ ]" 1
1296 1 84 HIS HA 1 103 PRO HB3 . . 5.040 3.477 3.477 3.477 . 0 0 "[ ]" 1
1297 1 84 HIS QB 1 84 HIS HD2 . . 3.420 3.048 3.048 3.048 . 0 0 "[ ]" 1
1298 1 84 HIS QB 1 103 PRO QB . . 6.320 4.185 4.185 4.185 . 0 0 "[ ]" 1
1299 1 84 HIS HB2 1 103 PRO HB2 . . 7.250 5.684 5.684 5.684 . 0 0 "[ ]" 1
1300 1 84 HIS HB2 1 103 PRO HB3 . . 7.250 5.842 5.842 5.842 . 0 0 "[ ]" 1
1301 1 84 HIS HB3 1 103 PRO HB2 . . 7.250 5.038 5.038 5.038 . 0 0 "[ ]" 1
1302 1 84 HIS HB3 1 103 PRO HB3 . . 7.250 4.924 4.924 4.924 . 0 0 "[ ]" 1
1303 1 84 HIS HD2 1 87 LEU QB . . 6.380 5.823 5.823 5.823 . 0 0 "[ ]" 1
1304 1 84 HIS HD2 1 103 PRO QB . . 4.450 3.937 3.937 3.937 . 0 0 "[ ]" 1
1305 1 84 HIS HD2 1 105 PRO HD2 . . 3.830 3.720 3.720 3.720 . 0 0 "[ ]" 1
1306 1 84 HIS HD2 1 105 PRO QD . . 3.510 3.355 3.355 3.355 . 0 0 "[ ]" 1
1307 1 84 HIS HD2 1 105 PRO HD3 . . 3.830 3.815 3.815 3.815 . 0 0 "[ ]" 1
1308 1 84 HIS HE1 1 103 PRO HB2 . . 5.470 3.339 3.339 3.339 . 0 0 "[ ]" 1
1309 1 84 HIS HE1 1 103 PRO QB . . 5.050 3.275 3.275 3.275 . 0 0 "[ ]" 1
1310 1 84 HIS HE1 1 103 PRO HB3 . . 5.470 4.730 4.730 4.730 . 0 0 "[ ]" 1
1311 1 85 SER H 1 85 SER QB . . 3.920 2.054 2.054 2.054 . 0 0 "[ ]" 1
1312 1 85 SER H 1 86 ASP H . . 5.190 2.603 2.603 2.603 . 0 0 "[ ]" 1
1313 1 85 SER HA 1 85 SER HB2 . . 2.800 2.882 2.882 2.882 0.082 1 0 "[ ]" 1
1314 1 85 SER HA 1 85 SER QB . . 2.580 2.567 2.567 2.567 . 0 0 "[ ]" 1
1315 1 85 SER HA 1 85 SER HB3 . . 2.800 2.881 2.881 2.881 0.081 1 0 "[ ]" 1
1316 1 85 SER HA 1 87 LEU H . . 3.860 3.486 3.486 3.486 . 0 0 "[ ]" 1
1317 1 85 SER HA 1 88 ASP H . . 3.890 3.946 3.946 3.946 0.056 1 0 "[ ]" 1
1318 1 86 ASP H 1 87 LEU H . . 4.010 2.329 2.329 2.329 . 0 0 "[ ]" 1
1319 1 86 ASP HA 1 87 LEU H . . 3.330 3.114 3.114 3.114 . 0 0 "[ ]" 1
1320 1 86 ASP HA 1 88 ASP H . . 4.450 3.894 3.894 3.894 . 0 0 "[ ]" 1
1321 1 86 ASP HA 1 88 ASP QB . . 5.510 4.640 4.640 4.640 . 0 0 "[ ]" 1
1322 1 86 ASP HA 1 89 ALA MB . . 5.720 3.442 3.442 3.442 . 0 0 "[ ]" 1
1323 1 86 ASP HA 1 90 ALA MB . . 6.530 5.231 5.231 5.231 . 0 0 "[ ]" 1
1324 1 86 ASP QB 1 87 LEU H . . 4.390 3.725 3.725 3.725 . 0 0 "[ ]" 1
1325 1 86 ASP QB 1 87 LEU QD . . 7.270 4.731 4.731 4.731 . 0 0 "[ ]" 1
1326 1 86 ASP HB2 1 87 LEU H . . 4.630 3.942 3.942 3.942 . 0 0 "[ ]" 1
1327 1 86 ASP HB3 1 87 LEU H . . 4.630 4.584 4.584 4.584 . 0 0 "[ ]" 1
1328 1 87 LEU H 1 87 LEU HB2 . . 3.390 2.969 2.969 2.969 . 0 0 "[ ]" 1
1329 1 87 LEU H 1 87 LEU HB3 . . 3.390 2.448 2.448 2.448 . 0 0 "[ ]" 1
1330 1 87 LEU H 1 87 LEU HG . . 4.690 4.362 4.362 4.362 . 0 0 "[ ]" 1
1331 1 87 LEU H 1 88 ASP H . . 3.830 1.929 1.929 1.929 . 0 0 "[ ]" 1
1332 1 87 LEU H 1 89 ALA H . . 4.820 3.587 3.587 3.587 . 0 0 "[ ]" 1
1333 1 87 LEU H 1 89 ALA MB . . 6.530 4.644 4.644 4.644 . 0 0 "[ ]" 1
1334 1 87 LEU HA 1 88 ASP H . . 3.390 3.518 3.518 3.518 0.128 1 0 "[ ]" 1
1335 1 87 LEU HA 1 88 ASP QB . . 6.380 5.131 5.131 5.131 . 0 0 "[ ]" 1
1336 1 87 LEU HA 1 90 ALA H . . 3.450 2.815 2.815 2.815 . 0 0 "[ ]" 1
1337 1 87 LEU HA 1 90 ALA MB . . 4.820 2.423 2.423 2.423 . 0 0 "[ ]" 1
1338 1 87 LEU HA 1 91 VAL MG2 . . 5.940 4.276 4.276 4.276 . 0 0 "[ ]" 1
1339 1 87 LEU QB 1 88 ASP H . . 4.490 3.043 3.043 3.043 . 0 0 "[ ]" 1
1340 1 87 LEU QB 1 90 ALA H . . 5.320 4.507 4.507 4.507 . 0 0 "[ ]" 1
1341 1 87 LEU QD 1 88 ASP H . . 7.110 4.094 4.094 4.094 . 0 0 "[ ]" 1
1342 1 87 LEU QD 1 88 ASP QB . . 8.970 4.971 4.971 4.971 . 0 0 "[ ]" 1
1343 1 87 LEU QD 1 90 ALA H . . 5.920 3.041 3.041 3.041 . 0 0 "[ ]" 1
1344 1 87 LEU QD 1 90 ALA MB . . 8.510 1.995 1.995 1.995 . 0 0 "[ ]" 1
1345 1 87 LEU QD 1 91 VAL H . . 7.170 2.379 2.379 2.379 . 0 0 "[ ]" 1
1346 1 87 LEU QD 1 91 VAL HA . . 6.730 3.131 3.131 3.131 . 0 0 "[ ]" 1
1347 1 87 LEU QD 1 91 VAL HB . . 5.770 2.295 2.295 2.295 . 0 0 "[ ]" 1
1348 1 87 LEU QD 1 100 ASP QB . . 7.110 4.711 4.711 4.711 . 0 0 "[ ]" 1
1349 1 87 LEU QD 1 101 TYR QB . . 7.340 1.716 1.716 1.716 . 0 0 "[ ]" 1
1350 1 87 LEU QD 1 101 TYR QD . . 9.770 2.099 2.099 2.099 . 0 0 "[ ]" 1
1351 1 87 LEU QD 1 101 TYR QE . . 9.490 3.656 3.656 3.656 . 0 0 "[ ]" 1
1352 1 87 LEU QD 1 103 PRO QD . . 8.070 3.640 3.640 3.640 . 0 0 "[ ]" 1
1353 1 87 LEU MD1 1 90 ALA H . . 6.530 3.056 3.056 3.056 . 0 0 "[ ]" 1
1354 1 87 LEU MD1 1 101 TYR HB2 . . 9.170 1.746 1.746 1.746 . 0 0 "[ ]" 1
1355 1 87 LEU MD1 1 101 TYR HB3 . . 9.170 2.823 2.823 2.823 . 0 0 "[ ]" 1
1356 1 87 LEU MD2 1 90 ALA H . . 6.530 5.467 5.467 5.467 . 0 0 "[ ]" 1
1357 1 87 LEU MD2 1 101 TYR HB2 . . 9.170 2.925 2.925 2.925 . 0 0 "[ ]" 1
1358 1 87 LEU MD2 1 101 TYR HB3 . . 9.170 4.104 4.104 4.104 . 0 0 "[ ]" 1
1359 1 87 LEU HG 1 88 ASP H . . 4.420 4.250 4.250 4.250 . 0 0 "[ ]" 1
1360 1 88 ASP H 1 89 ALA H . . 3.520 2.610 2.610 2.610 . 0 0 "[ ]" 1
1361 1 88 ASP H 1 89 ALA MB . . 6.530 4.078 4.078 4.078 . 0 0 "[ ]" 1
1362 1 88 ASP H 1 90 ALA H . . 4.910 3.914 3.914 3.914 . 0 0 "[ ]" 1
1363 1 88 ASP H 1 91 VAL HB . . 5.130 4.667 4.667 4.667 . 0 0 "[ ]" 1
1364 1 88 ASP H 1 91 VAL MG1 . . 6.530 5.460 5.460 5.460 . 0 0 "[ ]" 1
1365 1 88 ASP H 1 91 VAL MG2 . . 6.530 5.438 5.438 5.438 . 0 0 "[ ]" 1
1366 1 88 ASP HA 1 89 ALA H . . 3.360 3.438 3.438 3.438 0.078 1 0 "[ ]" 1
1367 1 88 ASP HA 1 91 VAL H . . 3.830 3.392 3.392 3.392 . 0 0 "[ ]" 1
1368 1 88 ASP HA 1 91 VAL HB . . 3.240 3.005 3.005 3.005 . 0 0 "[ ]" 1
1369 1 88 ASP HA 1 91 VAL MG1 . . 5.130 3.418 3.418 3.418 . 0 0 "[ ]" 1
1370 1 88 ASP HA 1 91 VAL MG2 . . 5.600 4.468 4.468 4.468 . 0 0 "[ ]" 1
1371 1 88 ASP HA 1 92 SER QB . . 5.230 3.557 3.557 3.557 . 0 0 "[ ]" 1
1372 1 88 ASP QB 1 89 ALA H . . 4.390 3.194 3.194 3.194 . 0 0 "[ ]" 1
1373 1 88 ASP QB 1 89 ALA MB . . 7.400 3.723 3.723 3.723 . 0 0 "[ ]" 1
1374 1 89 ALA H 1 89 ALA MB . . 3.550 2.161 2.161 2.161 . 0 0 "[ ]" 1
1375 1 89 ALA HA 1 91 VAL H . . 4.570 4.312 4.312 4.312 . 0 0 "[ ]" 1
1376 1 89 ALA HA 1 92 SER H . . 3.580 3.612 3.612 3.612 0.032 1 0 "[ ]" 1
1377 1 89 ALA HA 1 92 SER QB . . 4.700 3.970 3.970 3.970 . 0 0 "[ ]" 1
1378 1 90 ALA H 1 91 VAL H . . 3.360 1.950 1.950 1.950 . 0 0 "[ ]" 1
1379 1 90 ALA H 1 91 VAL MG1 . . 6.530 4.924 4.924 4.924 . 0 0 "[ ]" 1
1380 1 90 ALA HA 1 93 ALA MB . . 4.790 3.505 3.505 3.505 . 0 0 "[ ]" 1
1381 1 90 ALA HA 1 99 PHE QD . . 6.720 5.843 5.843 5.843 . 0 0 "[ ]" 1
1382 1 90 ALA MB 1 92 SER H . . 6.500 4.552 4.552 4.552 . 0 0 "[ ]" 1
1383 1 90 ALA MB 1 99 PHE QD . . 7.040 4.207 4.207 4.207 . 0 0 "[ ]" 1
1384 1 90 ALA MB 1 101 TYR QE . . 6.770 2.582 2.582 2.582 . 0 0 "[ ]" 1
1385 1 91 VAL H 1 91 VAL HB . . 3.140 2.101 2.101 2.101 . 0 0 "[ ]" 1
1386 1 91 VAL H 1 92 SER H . . 3.450 2.197 2.197 2.197 . 0 0 "[ ]" 1
1387 1 91 VAL HA 1 94 TYR QB . . 5.170 4.686 4.686 4.686 . 0 0 "[ ]" 1
1388 1 91 VAL HA 1 99 PHE H . . 5.220 5.358 5.358 5.358 0.138 1 0 "[ ]" 1
1389 1 91 VAL HA 1 99 PHE QD . . 6.780 6.308 6.308 6.308 . 0 0 "[ ]" 1
1390 1 91 VAL HA 1 101 TYR QD . . 7.640 3.664 3.664 3.664 . 0 0 "[ ]" 1
1391 1 91 VAL HA 1 101 TYR QE . . 6.450 2.966 2.966 2.966 . 0 0 "[ ]" 1
1392 1 91 VAL HB 1 92 SER H . . 3.330 3.162 3.162 3.162 . 0 0 "[ ]" 1
1393 1 91 VAL MG1 1 92 SER H . . 4.950 2.992 2.992 2.992 . 0 0 "[ ]" 1
1394 1 91 VAL MG1 1 92 SER HA . . 5.440 3.428 3.428 3.428 . 0 0 "[ ]" 1
1395 1 91 VAL MG2 1 92 SER H . . 5.850 4.309 4.309 4.309 . 0 0 "[ ]" 1
1396 1 91 VAL MG2 1 101 TYR QE . . 8.660 3.369 3.369 3.369 . 0 0 "[ ]" 1
1397 1 92 SER H 1 92 SER HB2 . . 2.870 2.822 2.822 2.822 . 0 0 "[ ]" 1
1398 1 92 SER H 1 92 SER HB3 . . 2.870 2.856 2.856 2.856 . 0 0 "[ ]" 1
1399 1 93 ALA MB 1 94 TYR QB . . 6.230 3.937 3.937 3.937 . 0 0 "[ ]" 1
1400 1 96 GLN HA 1 96 GLN QG . . 3.920 2.315 2.315 2.315 . 0 0 "[ ]" 1
1401 1 98 ALA H 1 99 PHE H . . 4.450 1.956 1.956 1.956 . 0 0 "[ ]" 1
1402 1 98 ALA MB 1 99 PHE QD . . 8.650 3.134 3.134 3.134 . 0 0 "[ ]" 1
1403 1 98 ALA MB 1 99 PHE QE . . 8.650 3.978 3.978 3.978 . 0 0 "[ ]" 1
1404 1 99 PHE H 1 99 PHE HB2 . . 3.920 2.194 2.194 2.194 . 0 0 "[ ]" 1
1405 1 99 PHE H 1 99 PHE QB . . 3.730 2.171 2.171 2.171 . 0 0 "[ ]" 1
1406 1 99 PHE H 1 99 PHE HB3 . . 3.920 3.456 3.456 3.456 . 0 0 "[ ]" 1
1407 1 99 PHE H 1 100 ASP H . . 4.040 4.390 4.390 4.390 0.350 1 0 "[ ]" 1
1408 1 99 PHE QB 1 101 TYR H . . 5.940 2.235 2.235 2.235 . 0 0 "[ ]" 1
1409 1 99 PHE HB2 1 100 ASP H . . 4.570 3.413 3.413 3.413 . 0 0 "[ ]" 1
1410 1 99 PHE HB3 1 100 ASP H . . 4.570 1.930 1.930 1.930 . 0 0 "[ ]" 1
1411 1 99 PHE QD 1 114 LEU QD . . 8.700 5.928 5.928 5.928 . 0 0 "[ ]" 1
1412 1 100 ASP H 1 100 ASP HB2 . . 3.790 2.814 2.814 2.814 . 0 0 "[ ]" 1
1413 1 100 ASP H 1 100 ASP HB3 . . 3.790 3.803 3.803 3.803 0.013 1 0 "[ ]" 1
1414 1 100 ASP H 1 101 TYR H . . 4.380 1.871 1.871 1.871 . 0 0 "[ ]" 1
1415 1 100 ASP HA 1 101 TYR H . . 3.170 3.060 3.060 3.060 . 0 0 "[ ]" 1
1416 1 100 ASP QB 1 102 LEU HA . . 5.070 4.190 4.190 4.190 . 0 0 "[ ]" 1
1417 1 100 ASP QB 1 114 LEU QD . . 7.980 2.972 2.972 2.972 . 0 0 "[ ]" 1
1418 1 101 TYR HA 1 102 LEU H . . 3.580 2.300 2.300 2.300 . 0 0 "[ ]" 1
1419 1 101 TYR HB2 1 102 LEU H . . 4.510 4.444 4.444 4.444 . 0 0 "[ ]" 1
1420 1 101 TYR HB3 1 102 LEU H . . 4.510 4.174 4.174 4.174 . 0 0 "[ ]" 1
1421 1 101 TYR QD 1 102 LEU H . . 7.640 5.010 5.010 5.010 . 0 0 "[ ]" 1
1422 1 101 TYR QE 1 102 LEU H . . 7.630 6.879 6.879 6.879 . 0 0 "[ ]" 1
1423 1 102 LEU H 1 102 LEU HB2 . . 4.110 2.473 2.473 2.473 . 0 0 "[ ]" 1
1424 1 102 LEU H 1 102 LEU QB . . 3.890 2.428 2.428 2.428 . 0 0 "[ ]" 1
1425 1 102 LEU H 1 102 LEU HB3 . . 4.110 3.545 3.545 3.545 . 0 0 "[ ]" 1
1426 1 102 LEU H 1 102 LEU HG . . 5.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
1427 1 102 LEU H 1 111 ALA MB . . 6.530 5.006 5.006 5.006 . 0 0 "[ ]" 1
1428 1 102 LEU HA 1 103 PRO QB . . 5.990 4.608 4.608 4.608 . 0 0 "[ ]" 1
1429 1 102 LEU HA 1 103 PRO HD2 . . 3.920 2.462 2.462 2.462 . 0 0 "[ ]" 1
1430 1 102 LEU HA 1 103 PRO QD . . 3.760 1.849 1.849 1.849 . 0 0 "[ ]" 1
1431 1 102 LEU HA 1 103 PRO HD3 . . 3.920 1.910 1.910 1.910 . 0 0 "[ ]" 1
1432 1 102 LEU QB 1 106 PHE QE . . 6.920 2.299 2.299 2.299 . 0 0 "[ ]" 1
1433 1 102 LEU QD 1 103 PRO QD . . 7.040 3.313 3.313 3.313 . 0 0 "[ ]" 1
1434 1 102 LEU QD 1 106 PHE QB . . 7.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
1435 1 102 LEU QD 1 106 PHE QD . . 6.560 2.572 2.572 2.572 . 0 0 "[ ]" 1
1436 1 102 LEU QD 1 106 PHE QE . . 8.050 2.779 2.779 2.779 . 0 0 "[ ]" 1
1437 1 102 LEU QD 1 107 ASP H . . 8.100 3.929 3.929 3.929 . 0 0 "[ ]" 1
1438 1 102 LEU QD 1 111 ALA H . . 5.860 3.135 3.135 3.135 . 0 0 "[ ]" 1
1439 1 102 LEU QD 1 111 ALA HA . . 4.270 1.942 1.942 1.942 . 0 0 "[ ]" 1
1440 1 102 LEU QD 1 111 ALA MB . . 5.830 1.741 1.741 1.741 . 0 0 "[ ]" 1
1441 1 102 LEU QD 1 112 VAL H . . 8.100 4.434 4.434 4.434 . 0 0 "[ ]" 1
1442 1 102 LEU QD 1 114 LEU QB . . 7.180 3.250 3.250 3.250 . 0 0 "[ ]" 1
1443 1 102 LEU QD 1 114 LEU QD . . 6.340 2.049 2.049 2.049 . 0 0 "[ ]" 1
1444 1 102 LEU QD 1 115 VAL H . . 8.100 4.927 4.927 4.927 . 0 0 "[ ]" 1
1445 1 102 LEU MD1 1 103 PRO HD2 . . 8.670 4.889 4.889 4.889 . 0 0 "[ ]" 1
1446 1 102 LEU MD1 1 103 PRO HD3 . . 8.670 4.917 4.917 4.917 . 0 0 "[ ]" 1
1447 1 102 LEU MD1 1 106 PHE HB2 . . 9.570 5.288 5.288 5.288 . 0 0 "[ ]" 1
1448 1 102 LEU MD1 1 106 PHE HB3 . . 9.570 5.452 5.452 5.452 . 0 0 "[ ]" 1
1449 1 102 LEU MD1 1 106 PHE QD . . 6.980 4.159 4.159 4.159 . 0 0 "[ ]" 1
1450 1 102 LEU MD1 1 111 ALA H . . 6.530 4.607 4.607 4.607 . 0 0 "[ ]" 1
1451 1 102 LEU MD1 1 111 ALA HA . . 5.010 2.700 2.700 2.700 . 0 0 "[ ]" 1
1452 1 102 LEU MD1 1 111 ALA MB . . 6.220 2.226 2.226 2.226 . 0 0 "[ ]" 1
1453 1 102 LEU MD1 1 114 LEU H . . 6.530 5.378 5.378 5.378 . 0 0 "[ ]" 1
1454 1 102 LEU MD1 1 114 LEU MD1 . . 7.560 4.121 4.121 4.121 . 0 0 "[ ]" 1
1455 1 102 LEU MD1 1 114 LEU MD2 . . 7.560 2.097 2.097 2.097 . 0 0 "[ ]" 1
1456 1 102 LEU MD2 1 103 PRO HD2 . . 8.670 3.587 3.587 3.587 . 0 0 "[ ]" 1
1457 1 102 LEU MD2 1 103 PRO HD3 . . 8.670 4.375 4.375 4.375 . 0 0 "[ ]" 1
1458 1 102 LEU MD2 1 106 PHE HB2 . . 9.570 2.857 2.857 2.857 . 0 0 "[ ]" 1
1459 1 102 LEU MD2 1 106 PHE HB3 . . 9.570 3.495 3.495 3.495 . 0 0 "[ ]" 1
1460 1 102 LEU MD2 1 106 PHE QD . . 6.980 2.597 2.597 2.597 . 0 0 "[ ]" 1
1461 1 102 LEU MD2 1 111 ALA H . . 6.530 3.190 3.190 3.190 . 0 0 "[ ]" 1
1462 1 102 LEU MD2 1 111 ALA HA . . 5.010 1.991 1.991 1.991 . 0 0 "[ ]" 1
1463 1 102 LEU MD2 1 111 ALA MB . . 6.220 1.818 1.818 1.818 . 0 0 "[ ]" 1
1464 1 102 LEU MD2 1 114 LEU H . . 6.530 4.885 4.885 4.885 . 0 0 "[ ]" 1
1465 1 102 LEU MD2 1 114 LEU MD1 . . 7.560 5.014 5.014 5.014 . 0 0 "[ ]" 1
1466 1 102 LEU MD2 1 114 LEU MD2 . . 7.560 2.960 2.960 2.960 . 0 0 "[ ]" 1
1467 1 102 LEU HG 1 106 PHE QD . . 5.760 4.721 4.721 4.721 . 0 0 "[ ]" 1
1468 1 104 LYS HA 1 104 LYS QG . . 4.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
1469 1 104 LYS HA 1 105 PRO HA . . 3.080 2.023 2.023 2.023 . 0 0 "[ ]" 1
1470 1 104 LYS HA 1 106 PHE H . . 3.420 2.688 2.688 2.688 . 0 0 "[ ]" 1
1471 1 104 LYS HA 1 106 PHE HA . . 3.920 3.952 3.952 3.952 0.032 1 0 "[ ]" 1
1472 1 104 LYS HA 1 106 PHE QD . . 5.670 2.011 2.011 2.011 . 0 0 "[ ]" 1
1473 1 104 LYS QB 1 105 PRO HA . . 4.390 2.368 2.368 2.368 . 0 0 "[ ]" 1
1474 1 104 LYS QB 1 106 PHE QD . . 7.010 2.547 2.547 2.547 . 0 0 "[ ]" 1
1475 1 104 LYS HB2 1 106 PHE QE . . 6.230 2.800 2.800 2.800 . 0 0 "[ ]" 1
1476 1 104 LYS HB3 1 106 PHE QE . . 6.230 2.694 2.694 2.694 . 0 0 "[ ]" 1
1477 1 104 LYS QD 1 106 PHE H . . 6.190 5.467 5.467 5.467 . 0 0 "[ ]" 1
1478 1 104 LYS QE 1 106 PHE QE . . 8.500 5.608 5.608 5.608 . 0 0 "[ ]" 1
1479 1 104 LYS QG 1 105 PRO HA . . 5.350 2.475 2.475 2.475 . 0 0 "[ ]" 1
1480 1 104 LYS QG 1 105 PRO QG . . 6.260 3.933 3.933 3.933 . 0 0 "[ ]" 1
1481 1 105 PRO HA 1 106 PHE H . . 2.960 2.247 2.247 2.247 . 0 0 "[ ]" 1
1482 1 105 PRO HA 1 106 PHE QD . . 7.620 3.680 3.680 3.680 . 0 0 "[ ]" 1
1483 1 105 PRO HB2 1 106 PHE H . . 3.580 3.240 3.240 3.240 . 0 0 "[ ]" 1
1484 1 105 PRO HB3 1 106 PHE H . . 3.580 3.694 3.694 3.694 0.114 1 0 "[ ]" 1
1485 1 106 PHE H 1 106 PHE HB2 . . 4.140 3.757 3.757 3.757 . 0 0 "[ ]" 1
1486 1 106 PHE H 1 106 PHE HB3 . . 4.140 3.267 3.267 3.267 . 0 0 "[ ]" 1
1487 1 106 PHE H 1 107 ASP H . . 4.540 4.367 4.367 4.367 . 0 0 "[ ]" 1
1488 1 106 PHE HA 1 106 PHE HB2 . . 3.050 2.561 2.561 2.561 . 0 0 "[ ]" 1
1489 1 106 PHE HA 1 106 PHE HB3 . . 3.050 2.471 2.471 2.471 . 0 0 "[ ]" 1
1490 1 106 PHE HA 1 107 ASP H . . 2.800 2.727 2.727 2.727 . 0 0 "[ ]" 1
1491 1 106 PHE QB 1 107 ASP H . . 3.290 2.024 2.024 2.024 . 0 0 "[ ]" 1
1492 1 106 PHE HB2 1 107 ASP H . . 3.520 2.036 2.036 2.036 . 0 0 "[ ]" 1
1493 1 106 PHE HB3 1 107 ASP H . . 3.520 3.546 3.546 3.546 0.026 1 0 "[ ]" 1
1494 1 106 PHE QD 1 107 ASP H . . 7.620 2.796 2.796 2.796 . 0 0 "[ ]" 1
1495 1 106 PHE QD 1 108 ILE H . . 7.620 3.341 3.341 3.341 . 0 0 "[ ]" 1
1496 1 106 PHE QD 1 108 ILE HA . . 5.540 2.890 2.890 2.890 . 0 0 "[ ]" 1
1497 1 106 PHE QD 1 108 ILE MD . . 6.140 3.242 3.242 3.242 . 0 0 "[ ]" 1
1498 1 106 PHE QD 1 108 ILE QG . . 6.480 4.775 4.775 4.775 . 0 0 "[ ]" 1
1499 1 106 PHE QD 1 111 ALA MB . . 7.690 2.967 2.967 2.967 . 0 0 "[ ]" 1
1500 1 106 PHE QE 1 107 ASP H . . 7.620 5.154 5.154 5.154 . 0 0 "[ ]" 1
1501 1 106 PHE QE 1 108 ILE H . . 7.620 4.138 4.138 4.138 . 0 0 "[ ]" 1
1502 1 106 PHE QE 1 108 ILE HA . . 7.560 2.004 2.004 2.004 . 0 0 "[ ]" 1
1503 1 106 PHE QE 1 108 ILE MD . . 6.140 2.093 2.093 2.093 . 0 0 "[ ]" 1
1504 1 107 ASP H 1 107 ASP HB2 . . 3.210 2.066 2.066 2.066 . 0 0 "[ ]" 1
1505 1 107 ASP H 1 107 ASP HB3 . . 3.210 3.294 3.294 3.294 0.084 1 0 "[ ]" 1
1506 1 107 ASP H 1 110 GLU H . . 4.600 4.392 4.392 4.392 . 0 0 "[ ]" 1
1507 1 107 ASP H 1 110 GLU HB2 . . 4.200 3.185 3.185 3.185 . 0 0 "[ ]" 1
1508 1 107 ASP H 1 110 GLU QB . . 3.970 3.092 3.092 3.092 . 0 0 "[ ]" 1
1509 1 107 ASP H 1 110 GLU HB3 . . 4.200 4.189 4.189 4.189 . 0 0 "[ ]" 1
1510 1 107 ASP H 1 110 GLU QG . . 6.380 4.456 4.456 4.456 . 0 0 "[ ]" 1
1511 1 107 ASP H 1 111 ALA MB . . 6.530 5.074 5.074 5.074 . 0 0 "[ ]" 1
1512 1 107 ASP HA 1 108 ILE HB . . 5.340 4.184 4.184 4.184 . 0 0 "[ ]" 1
1513 1 107 ASP HA 1 109 ASP H . . 3.980 3.869 3.869 3.869 . 0 0 "[ ]" 1
1514 1 107 ASP HA 1 110 GLU H . . 4.790 4.130 4.130 4.130 . 0 0 "[ ]" 1
1515 1 107 ASP QB 1 110 GLU QB . . 5.490 1.972 1.972 1.972 . 0 0 "[ ]" 1
1516 1 107 ASP QB 1 110 GLU QG . . 4.070 3.064 3.064 3.064 . 0 0 "[ ]" 1
1517 1 107 ASP HB2 1 110 GLU H . . 3.830 3.365 3.365 3.365 . 0 0 "[ ]" 1
1518 1 107 ASP HB2 1 110 GLU HB2 . . 6.630 2.274 2.274 2.274 . 0 0 "[ ]" 1
1519 1 107 ASP HB2 1 110 GLU HB3 . . 6.630 3.731 3.731 3.731 . 0 0 "[ ]" 1
1520 1 107 ASP HB2 1 110 GLU HG2 . . 4.480 3.367 3.367 3.367 . 0 0 "[ ]" 1
1521 1 107 ASP HB2 1 110 GLU HG3 . . 4.480 4.543 4.543 4.543 0.063 1 0 "[ ]" 1
1522 1 107 ASP HB3 1 110 GLU H . . 3.830 2.006 2.006 2.006 . 0 0 "[ ]" 1
1523 1 107 ASP HB3 1 110 GLU HB2 . . 6.630 2.188 2.188 2.188 . 0 0 "[ ]" 1
1524 1 107 ASP HB3 1 110 GLU HB3 . . 6.630 3.932 3.932 3.932 . 0 0 "[ ]" 1
1525 1 107 ASP HB3 1 110 GLU HG2 . . 4.480 3.915 3.915 3.915 . 0 0 "[ ]" 1
1526 1 107 ASP HB3 1 110 GLU HG3 . . 4.480 4.445 4.445 4.445 . 0 0 "[ ]" 1
1527 1 108 ILE H 1 108 ILE HB . . 2.930 2.007 2.007 2.007 . 0 0 "[ ]" 1
1528 1 108 ILE H 1 108 ILE MD . . 5.630 2.472 2.472 2.472 . 0 0 "[ ]" 1
1529 1 108 ILE H 1 108 ILE QG . . 4.980 3.729 3.729 3.729 . 0 0 "[ ]" 1
1530 1 108 ILE H 1 108 ILE MG . . 4.540 3.310 3.310 3.310 . 0 0 "[ ]" 1
1531 1 108 ILE H 1 109 ASP H . . 3.420 3.001 3.001 3.001 . 0 0 "[ ]" 1
1532 1 108 ILE H 1 110 GLU H . . 4.630 4.259 4.259 4.259 . 0 0 "[ ]" 1
1533 1 108 ILE H 1 110 GLU QB . . 5.660 4.889 4.889 4.889 . 0 0 "[ ]" 1
1534 1 108 ILE HA 1 108 ILE HB . . 2.990 2.827 2.827 2.827 . 0 0 "[ ]" 1
1535 1 108 ILE HA 1 108 ILE MD . . 4.020 2.104 2.104 2.104 . 0 0 "[ ]" 1
1536 1 108 ILE HA 1 108 ILE QG . . 3.940 2.393 2.393 2.393 . 0 0 "[ ]" 1
1537 1 108 ILE HA 1 109 ASP H . . 3.550 3.619 3.619 3.619 0.069 1 0 "[ ]" 1
1538 1 108 ILE HA 1 111 ALA H . . 3.520 3.084 3.084 3.084 . 0 0 "[ ]" 1
1539 1 108 ILE HB 1 109 ASP H . . 3.330 3.203 3.203 3.203 . 0 0 "[ ]" 1
1540 1 108 ILE MD 1 112 VAL H . . 6.530 5.374 5.374 5.374 . 0 0 "[ ]" 1
1541 1 108 ILE QG 1 109 ASP H . . 4.920 4.503 4.503 4.503 . 0 0 "[ ]" 1
1542 1 108 ILE QG 1 112 VAL MG2 . . 4.430 3.210 3.210 3.210 . 0 0 "[ ]" 1
1543 1 108 ILE MG 1 109 ASP H . . 4.200 2.153 2.153 2.153 . 0 0 "[ ]" 1
1544 1 108 ILE MG 1 109 ASP HA . . 5.910 2.812 2.812 2.812 . 0 0 "[ ]" 1
1545 1 108 ILE MG 1 109 ASP QB . . 7.400 3.247 3.247 3.247 . 0 0 "[ ]" 1
1546 1 109 ASP H 1 109 ASP HA . . 2.770 2.699 2.699 2.699 . 0 0 "[ ]" 1
1547 1 109 ASP H 1 109 ASP HB2 . . 2.990 2.060 2.060 2.060 . 0 0 "[ ]" 1
1548 1 109 ASP H 1 109 ASP HB3 . . 2.990 2.993 2.993 2.993 0.003 1 0 "[ ]" 1
1549 1 109 ASP HA 1 109 ASP HB2 . . 2.960 2.723 2.723 2.723 . 0 0 "[ ]" 1
1550 1 109 ASP HA 1 109 ASP HB3 . . 2.960 3.006 3.006 3.006 0.046 1 0 "[ ]" 1
1551 1 109 ASP HA 1 112 VAL H . . 3.670 3.210 3.210 3.210 . 0 0 "[ ]" 1
1552 1 109 ASP HA 1 112 VAL HB . . 3.170 2.630 2.630 2.630 . 0 0 "[ ]" 1
1553 1 109 ASP HA 1 112 VAL MG1 . . 5.160 4.035 4.035 4.035 . 0 0 "[ ]" 1
1554 1 109 ASP HA 1 112 VAL MG2 . . 4.670 2.501 2.501 2.501 . 0 0 "[ ]" 1
1555 1 109 ASP HA 1 113 ALA H . . 3.610 3.734 3.734 3.734 0.124 1 0 "[ ]" 1
1556 1 109 ASP HA 1 113 ALA MB . . 5.720 4.420 4.420 4.420 . 0 0 "[ ]" 1
1557 1 109 ASP QB 1 110 GLU H . . 3.320 2.555 2.555 2.555 . 0 0 "[ ]" 1
1558 1 109 ASP QB 1 112 VAL H . . 5.820 4.729 4.729 4.729 . 0 0 "[ ]" 1
1559 1 109 ASP HB2 1 110 GLU H . . 3.640 3.430 3.430 3.430 . 0 0 "[ ]" 1
1560 1 109 ASP HB3 1 110 GLU H . . 3.640 2.636 2.636 2.636 . 0 0 "[ ]" 1
1561 1 110 GLU H 1 110 GLU HB2 . . 3.300 2.063 2.063 2.063 . 0 0 "[ ]" 1
1562 1 110 GLU H 1 110 GLU QB . . 3.010 2.045 2.045 2.045 . 0 0 "[ ]" 1
1563 1 110 GLU H 1 110 GLU HB3 . . 3.300 3.355 3.355 3.355 0.055 1 0 "[ ]" 1
1564 1 110 GLU H 1 110 GLU HG2 . . 4.230 4.223 4.223 4.223 . 0 0 "[ ]" 1
1565 1 110 GLU H 1 110 GLU HG3 . . 4.230 4.038 4.038 4.038 . 0 0 "[ ]" 1
1566 1 110 GLU H 1 111 ALA H . . 3.210 2.606 2.606 2.606 . 0 0 "[ ]" 1
1567 1 110 GLU H 1 111 ALA HA . . 5.500 5.176 5.176 5.176 . 0 0 "[ ]" 1
1568 1 110 GLU H 1 111 ALA MB . . 5.540 4.228 4.228 4.228 . 0 0 "[ ]" 1
1569 1 110 GLU HA 1 110 GLU QB . . 2.670 2.555 2.555 2.555 . 0 0 "[ ]" 1
1570 1 110 GLU HA 1 110 GLU HG2 . . 3.520 3.520 3.520 3.520 0.000 1 0 "[ ]" 1
1571 1 110 GLU HA 1 110 GLU QG . . 3.310 2.220 2.220 2.220 . 0 0 "[ ]" 1
1572 1 110 GLU HA 1 110 GLU HG3 . . 3.520 2.245 2.245 2.245 . 0 0 "[ ]" 1
1573 1 110 GLU HA 1 112 VAL H . . 4.290 4.376 4.376 4.376 0.086 1 0 "[ ]" 1
1574 1 110 GLU QB 1 111 ALA H . . 4.360 2.955 2.955 2.955 . 0 0 "[ ]" 1
1575 1 110 GLU QB 1 111 ALA MB . . 6.630 3.872 3.872 3.872 . 0 0 "[ ]" 1
1576 1 110 GLU QG 1 111 ALA H . . 6.380 4.707 4.707 4.707 . 0 0 "[ ]" 1
1577 1 110 GLU QG 1 113 ALA H . . 6.380 5.415 5.415 5.415 . 0 0 "[ ]" 1
1578 1 111 ALA H 1 112 VAL H . . 2.650 2.394 2.394 2.394 . 0 0 "[ ]" 1
1579 1 111 ALA HA 1 114 LEU H . . 3.550 3.394 3.394 3.394 . 0 0 "[ ]" 1
1580 1 111 ALA HA 1 114 LEU HB2 . . 3.760 3.793 3.793 3.793 0.033 1 0 "[ ]" 1
1581 1 111 ALA HA 1 114 LEU QB . . 3.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
1582 1 111 ALA HA 1 114 LEU HB3 . . 3.760 2.424 2.424 2.424 . 0 0 "[ ]" 1
1583 1 111 ALA HA 1 114 LEU MD1 . . 5.720 4.846 4.846 4.846 . 0 0 "[ ]" 1
1584 1 111 ALA HA 1 114 LEU QD . . 5.270 2.664 2.664 2.664 . 0 0 "[ ]" 1
1585 1 111 ALA HA 1 114 LEU MD2 . . 5.720 2.676 2.676 2.676 . 0 0 "[ ]" 1
1586 1 111 ALA HA 1 115 VAL H . . 4.320 4.350 4.350 4.350 0.030 1 0 "[ ]" 1
1587 1 112 VAL H 1 112 VAL HB . . 2.960 2.516 2.516 2.516 . 0 0 "[ ]" 1
1588 1 112 VAL H 1 112 VAL MG1 . . 4.420 3.711 3.711 3.711 . 0 0 "[ ]" 1
1589 1 112 VAL H 1 112 VAL MG2 . . 3.710 1.942 1.942 1.942 . 0 0 "[ ]" 1
1590 1 112 VAL H 1 113 ALA H . . 3.240 2.568 2.568 2.568 . 0 0 "[ ]" 1
1591 1 112 VAL H 1 113 ALA MB . . 5.470 4.101 4.101 4.101 . 0 0 "[ ]" 1
1592 1 112 VAL H 1 114 LEU H . . 3.830 3.805 3.805 3.805 . 0 0 "[ ]" 1
1593 1 112 VAL HA 1 115 VAL H . . 3.580 3.429 3.429 3.429 . 0 0 "[ ]" 1
1594 1 112 VAL HA 1 115 VAL HB . . 3.270 2.966 2.966 2.966 . 0 0 "[ ]" 1
1595 1 112 VAL HB 1 113 ALA H . . 3.210 2.580 2.580 2.580 . 0 0 "[ ]" 1
1596 1 112 VAL MG1 1 113 ALA H . . 4.510 3.670 3.670 3.670 . 0 0 "[ ]" 1
1597 1 112 VAL MG1 1 113 ALA HA . . 4.980 3.839 3.839 3.839 . 0 0 "[ ]" 1
1598 1 112 VAL MG1 1 116 GLU HG2 . . 4.980 3.877 3.877 3.877 . 0 0 "[ ]" 1
1599 1 112 VAL MG1 1 116 GLU QG . . 4.600 3.348 3.348 3.348 . 0 0 "[ ]" 1
1600 1 112 VAL MG1 1 116 GLU HG3 . . 4.980 3.660 3.660 3.660 . 0 0 "[ ]" 1
1601 1 112 VAL MG2 1 113 ALA H . . 4.790 3.722 3.722 3.722 . 0 0 "[ ]" 1
1602 1 113 ALA H 1 114 LEU H . . 4.630 2.643 2.643 2.643 . 0 0 "[ ]" 1
1603 1 113 ALA HA 1 114 LEU QB . . 6.380 5.166 5.166 5.166 . 0 0 "[ ]" 1
1604 1 113 ALA HA 1 116 GLU H . . 3.580 3.539 3.539 3.539 . 0 0 "[ ]" 1
1605 1 113 ALA HA 1 116 GLU QB . . 4.080 2.493 2.493 2.493 . 0 0 "[ ]" 1
1606 1 113 ALA HA 1 116 GLU QG . . 5.570 3.460 3.460 3.460 . 0 0 "[ ]" 1
1607 1 113 ALA MB 1 114 LEU QD . . 8.880 4.915 4.915 4.915 . 0 0 "[ ]" 1
1608 1 114 LEU H 1 114 LEU HB2 . . 3.170 3.057 3.057 3.057 . 0 0 "[ ]" 1
1609 1 114 LEU H 1 114 LEU HB3 . . 3.170 2.007 2.007 2.007 . 0 0 "[ ]" 1
1610 1 114 LEU H 1 114 LEU MD1 . . 5.470 4.284 4.284 4.284 . 0 0 "[ ]" 1
1611 1 114 LEU H 1 114 LEU QD . . 4.880 3.630 3.630 3.630 . 0 0 "[ ]" 1
1612 1 114 LEU H 1 114 LEU MD2 . . 5.470 3.920 3.920 3.920 . 0 0 "[ ]" 1
1613 1 114 LEU H 1 116 GLU H . . 4.600 4.152 4.152 4.152 . 0 0 "[ ]" 1
1614 1 114 LEU HA 1 117 ARG QB . . 4.300 2.881 2.881 2.881 . 0 0 "[ ]" 1
1615 1 114 LEU QB 1 115 VAL H . . 3.520 2.813 2.813 2.813 . 0 0 "[ ]" 1
1616 1 114 LEU HB2 1 115 VAL H . . 3.730 4.020 4.020 4.020 0.290 1 0 "[ ]" 1
1617 1 114 LEU HB3 1 115 VAL H . . 3.730 2.872 2.872 2.872 . 0 0 "[ ]" 1
1618 1 114 LEU QD 1 115 VAL HA . . 6.490 3.320 3.320 3.320 . 0 0 "[ ]" 1
1619 1 114 LEU QD 1 117 ARG H . . 7.230 3.859 3.859 3.859 . 0 0 "[ ]" 1
1620 1 114 LEU QD 1 117 ARG QB . . 7.860 3.823 3.823 3.823 . 0 0 "[ ]" 1
1621 1 114 LEU QD 1 117 ARG QG . . 6.370 2.357 2.357 2.357 . 0 0 "[ ]" 1
1622 1 114 LEU QD 1 118 ALA H . . 5.650 3.556 3.556 3.556 . 0 0 "[ ]" 1
1623 1 114 LEU HG 1 115 VAL HA . . 4.880 2.876 2.876 2.876 . 0 0 "[ ]" 1
1624 1 114 LEU HG 1 118 ALA H . . 4.600 4.445 4.445 4.445 . 0 0 "[ ]" 1
1625 1 115 VAL H 1 115 VAL HB . . 3.080 1.962 1.962 1.962 . 0 0 "[ ]" 1
1626 1 115 VAL H 1 115 VAL MG1 . . 4.540 3.123 3.123 3.123 . 0 0 "[ ]" 1
1627 1 115 VAL H 1 115 VAL MG2 . . 3.770 3.273 3.273 3.273 . 0 0 "[ ]" 1
1628 1 115 VAL H 1 116 GLU H . . 3.270 2.936 2.936 2.936 . 0 0 "[ ]" 1
1629 1 115 VAL H 1 116 GLU QG . . 6.380 5.180 5.180 5.180 . 0 0 "[ ]" 1
1630 1 115 VAL HA 1 118 ALA H . . 3.610 2.757 2.757 2.757 . 0 0 "[ ]" 1
1631 1 115 VAL HA 1 119 ILE H . . 4.420 3.378 3.378 3.378 . 0 0 "[ ]" 1
1632 1 115 VAL HA 1 119 ILE MD . . 5.040 3.895 3.895 3.895 . 0 0 "[ ]" 1
1633 1 115 VAL HB 1 116 GLU H . . 3.700 3.246 3.246 3.246 . 0 0 "[ ]" 1
1634 1 115 VAL MG1 1 116 GLU H . . 4.850 1.940 1.940 1.940 . 0 0 "[ ]" 1
1635 1 115 VAL MG1 1 119 ILE H . . 4.700 3.661 3.661 3.661 . 0 0 "[ ]" 1
1636 1 115 VAL MG2 1 116 GLU H . . 5.130 4.118 4.118 4.118 . 0 0 "[ ]" 1
1637 1 115 VAL MG2 1 118 ALA H . . 5.130 4.141 4.141 4.141 . 0 0 "[ ]" 1
1638 1 116 GLU H 1 116 GLU HB2 . . 3.270 2.174 2.174 2.174 . 0 0 "[ ]" 1
1639 1 116 GLU H 1 116 GLU QB . . 2.960 2.153 2.153 2.153 . 0 0 "[ ]" 1
1640 1 116 GLU H 1 116 GLU HB3 . . 3.270 3.465 3.465 3.465 0.195 1 0 "[ ]" 1
1641 1 116 GLU H 1 116 GLU HG2 . . 3.890 2.836 2.836 2.836 . 0 0 "[ ]" 1
1642 1 116 GLU H 1 116 GLU QG . . 3.620 2.731 2.731 2.731 . 0 0 "[ ]" 1
1643 1 116 GLU H 1 116 GLU HG3 . . 3.890 3.560 3.560 3.560 . 0 0 "[ ]" 1
1644 1 116 GLU H 1 117 ARG H . . 3.390 2.762 2.762 2.762 . 0 0 "[ ]" 1
1645 1 116 GLU H 1 117 ARG QG . . 6.380 5.244 5.244 5.244 . 0 0 "[ ]" 1
1646 1 116 GLU H 1 119 ILE H . . 4.850 4.602 4.602 4.602 . 0 0 "[ ]" 1
1647 1 116 GLU HA 1 116 GLU HG2 . . 3.920 2.322 2.322 2.322 . 0 0 "[ ]" 1
1648 1 116 GLU HA 1 116 GLU QG . . 3.650 2.293 2.293 2.293 . 0 0 "[ ]" 1
1649 1 116 GLU HA 1 116 GLU HG3 . . 3.920 3.564 3.564 3.564 . 0 0 "[ ]" 1
1650 1 116 GLU HA 1 119 ILE H . . 3.580 3.654 3.654 3.654 0.074 1 0 "[ ]" 1
1651 1 116 GLU HA 1 119 ILE MD . . 4.170 3.201 3.201 3.201 . 0 0 "[ ]" 1
1652 1 116 GLU QB 1 117 ARG H . . 4.080 3.165 3.165 3.165 . 0 0 "[ ]" 1
1653 1 116 GLU QG 1 117 ARG H . . 5.940 4.591 4.591 4.591 . 0 0 "[ ]" 1
1654 1 117 ARG H 1 117 ARG HA . . 2.900 2.902 2.902 2.902 0.002 1 0 "[ ]" 1
1655 1 117 ARG HA 1 117 ARG HG2 . . 4.040 3.684 3.684 3.684 . 0 0 "[ ]" 1
1656 1 117 ARG HA 1 117 ARG HG3 . . 4.040 3.460 3.460 3.460 . 0 0 "[ ]" 1
1657 1 117 ARG HA 1 119 ILE H . . 4.660 4.379 4.379 4.379 . 0 0 "[ ]" 1
1658 1 117 ARG HA 1 120 SER H . . 3.610 3.588 3.588 3.588 . 0 0 "[ ]" 1
1659 1 117 ARG HA 1 121 HIS H . . 4.690 3.956 3.956 3.956 . 0 0 "[ ]" 1
1660 1 117 ARG QB 1 118 ALA H . . 4.390 3.586 3.586 3.586 . 0 0 "[ ]" 1
1661 1 117 ARG QB 1 120 SER H . . 5.850 5.095 5.095 5.095 . 0 0 "[ ]" 1
1662 1 117 ARG QD 1 118 ALA H . . 6.380 4.640 4.640 4.640 . 0 0 "[ ]" 1
1663 1 118 ALA H 1 119 ILE H . . 3.210 2.160 2.160 2.160 . 0 0 "[ ]" 1
1664 1 118 ALA H 1 119 ILE MG . . 6.530 5.361 5.361 5.361 . 0 0 "[ ]" 1
1665 1 118 ALA HA 1 120 SER H . . 3.610 3.699 3.699 3.699 0.089 1 0 "[ ]" 1
1666 1 118 ALA HA 1 121 HIS H . . 4.720 3.154 3.154 3.154 . 0 0 "[ ]" 1
1667 1 119 ILE H 1 119 ILE HB . . 3.080 2.218 2.218 2.218 . 0 0 "[ ]" 1
1668 1 119 ILE H 1 119 ILE MD . . 5.100 3.500 3.500 3.500 . 0 0 "[ ]" 1
1669 1 119 ILE H 1 119 ILE HG12 . . 3.790 3.805 3.805 3.805 0.015 1 0 "[ ]" 1
1670 1 119 ILE H 1 119 ILE HG13 . . 3.790 2.520 2.520 2.520 . 0 0 "[ ]" 1
1671 1 119 ILE H 1 121 HIS HE1 . . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
1672 1 119 ILE HA 1 119 ILE HG12 . . 4.010 2.526 2.526 2.526 . 0 0 "[ ]" 1
1673 1 119 ILE HA 1 119 ILE QG . . 3.760 2.312 2.312 2.312 . 0 0 "[ ]" 1
1674 1 119 ILE HA 1 119 ILE HG13 . . 4.010 2.681 2.681 2.681 . 0 0 "[ ]" 1
1675 1 119 ILE HA 1 120 SER H . . 3.480 3.463 3.463 3.463 . 0 0 "[ ]" 1
1676 1 119 ILE HA 1 122 TYR QB . . 4.890 2.632 2.632 2.632 . 0 0 "[ ]" 1
1677 1 119 ILE HA 1 122 TYR QD . . 6.620 4.010 4.010 4.010 . 0 0 "[ ]" 1
1678 1 119 ILE HB 1 120 SER H . . 3.330 3.330 3.330 3.330 0.000 1 0 "[ ]" 1
1679 1 119 ILE HG12 1 120 SER H . . 5.280 5.370 5.370 5.370 0.090 1 0 "[ ]" 1
1680 1 119 ILE HG13 1 120 SER H . . 5.280 4.681 4.681 4.681 . 0 0 "[ ]" 1
1681 1 119 ILE MG 1 120 SER H . . 4.450 3.694 3.694 3.694 . 0 0 "[ ]" 1
1682 1 119 ILE MG 1 121 HIS H . . 6.530 5.391 5.391 5.391 . 0 0 "[ ]" 1
1683 1 120 SER H 1 120 SER QB . . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
1684 1 120 SER H 1 121 HIS QB . . 5.510 4.125 4.125 4.125 . 0 0 "[ ]" 1
1685 1 120 SER H 1 122 TYR QD . . 7.640 4.023 4.023 4.023 . 0 0 "[ ]" 1
1686 1 120 SER HA 1 120 SER QB . . 2.670 2.440 2.440 2.440 . 0 0 "[ ]" 1
1687 1 120 SER HA 1 122 TYR H . . 4.660 3.638 3.638 3.638 . 0 0 "[ ]" 1
1688 1 120 SER HA 1 123 GLN QB . . 4.580 4.153 4.153 4.153 . 0 0 "[ ]" 1
1689 1 120 SER QB 1 121 HIS H . . 4.420 2.492 2.492 2.492 . 0 0 "[ ]" 1
1690 1 120 SER QB 1 122 TYR H . . 5.910 4.228 4.228 4.228 . 0 0 "[ ]" 1
1691 1 121 HIS H 1 121 HIS HB2 . . 3.330 3.452 3.452 3.452 0.122 1 0 "[ ]" 1
1692 1 121 HIS H 1 121 HIS HB3 . . 3.330 2.154 2.154 2.154 . 0 0 "[ ]" 1
1693 1 121 HIS H 1 122 TYR H . . 3.550 2.633 2.633 2.633 . 0 0 "[ ]" 1
1694 1 121 HIS H 1 122 TYR QD . . 7.640 4.014 4.014 4.014 . 0 0 "[ ]" 1
1695 1 121 HIS H 1 122 TYR QE . . 7.630 6.057 6.057 6.057 . 0 0 "[ ]" 1
1696 1 121 HIS HA 1 122 TYR H . . 3.390 3.437 3.437 3.437 0.047 1 0 "[ ]" 1
1697 1 121 HIS QB 1 122 TYR H . . 5.010 3.750 3.750 3.750 . 0 0 "[ ]" 1
1698 1 122 TYR H 1 122 TYR HB2 . . 3.480 3.325 3.325 3.325 . 0 0 "[ ]" 1
1699 1 122 TYR H 1 122 TYR HB3 . . 3.480 1.970 1.970 1.970 . 0 0 "[ ]" 1
1700 1 122 TYR HA 1 122 TYR HB2 . . 2.900 2.372 2.372 2.372 . 0 0 "[ ]" 1
1701 1 122 TYR HA 1 122 TYR QB . . 2.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
1702 1 122 TYR HA 1 122 TYR HB3 . . 2.900 2.722 2.722 2.722 . 0 0 "[ ]" 1
1703 1 122 TYR HA 1 124 GLU H . . 4.140 3.885 3.885 3.885 . 0 0 "[ ]" 1
1704 1 122 TYR QB 1 123 GLN H . . 3.980 3.452 3.452 3.452 . 0 0 "[ ]" 1
1705 1 122 TYR QB 1 124 GLU H . . 5.480 4.884 4.884 4.884 . 0 0 "[ ]" 1
1706 1 122 TYR HB2 1 123 GLN H . . 4.170 4.183 4.183 4.183 0.013 1 0 "[ ]" 1
1707 1 122 TYR HB3 1 123 GLN H . . 4.170 3.678 3.678 3.678 . 0 0 "[ ]" 1
1708 1 122 TYR QD 1 123 GLN H . . 7.640 1.961 1.961 1.961 . 0 0 "[ ]" 1
1709 1 122 TYR QE 1 123 GLN H . . 7.630 3.475 3.475 3.475 . 0 0 "[ ]" 1
1710 1 123 GLN H 1 123 GLN HB2 . . 3.580 2.628 2.628 2.628 . 0 0 "[ ]" 1
1711 1 123 GLN H 1 123 GLN QB . . 3.310 2.237 2.237 2.237 . 0 0 "[ ]" 1
1712 1 123 GLN H 1 123 GLN HB3 . . 3.580 2.422 2.422 2.422 . 0 0 "[ ]" 1
1713 1 123 GLN HA 1 124 GLU H . . 2.560 2.554 2.554 2.554 . 0 0 "[ ]" 1
1714 1 123 GLN QG 1 124 GLU H . . 6.380 3.944 3.944 3.944 . 0 0 "[ ]" 1
1715 1 124 GLU H 1 124 GLU HA . . 2.900 2.898 2.898 2.898 . 0 0 "[ ]" 1
1716 1 124 GLU H 1 124 GLU HB2 . . 3.420 2.802 2.802 2.802 . 0 0 "[ ]" 1
1717 1 124 GLU H 1 124 GLU QB . . 3.230 2.640 2.640 2.640 . 0 0 "[ ]" 1
1718 1 124 GLU H 1 124 GLU HB3 . . 3.420 3.226 3.226 3.226 . 0 0 "[ ]" 1
1719 1 124 GLU HA 1 124 GLU HB2 . . 2.960 2.783 2.783 2.783 . 0 0 "[ ]" 1
1720 1 124 GLU HA 1 124 GLU HB3 . . 2.960 2.960 2.960 2.960 0.000 1 0 "[ ]" 1
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