NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379842 |
1i5t   |
5026 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i5t
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 1564
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 16.343
_Distance_constraint_stats_list.Viol_max 0.520
_Distance_constraint_stats_list.Viol_rms 0.0507
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1287
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.054 0.054 1 0 "[ ]"
1 2 ASP 0.440 0.240 1 0 "[ ]"
1 3 VAL 0.319 0.240 1 0 "[ ]"
1 4 GLU 0.262 0.158 1 0 "[ ]"
1 5 LYS 0.255 0.146 1 0 "[ ]"
1 6 GLY 0.135 0.105 1 0 "[ ]"
1 7 LYS 0.945 0.520 1 1 [+]
1 8 LYS 0.259 0.206 1 0 "[ ]"
1 9 ILE 0.104 0.041 1 0 "[ ]"
1 10 PHE 0.118 0.062 1 0 "[ ]"
1 11 VAL 0.058 0.051 1 0 "[ ]"
1 12 GLN 0.162 0.162 1 0 "[ ]"
1 13 LYS 0.368 0.165 1 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.062 0.062 1 0 "[ ]"
1 16 GLN 0.063 0.036 1 0 "[ ]"
1 17 CYS 0.070 0.070 1 0 "[ ]"
1 18 HIS 0.118 0.075 1 0 "[ ]"
1 19 THR 0.141 0.075 1 0 "[ ]"
1 20 VAL 0.119 0.066 1 0 "[ ]"
1 21 GLU 0.248 0.186 1 0 "[ ]"
1 22 LYS 0.157 0.157 1 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.119 0.119 1 0 "[ ]"
1 25 LYS 0.343 0.146 1 0 "[ ]"
1 26 HIS 0.697 0.294 1 0 "[ ]"
1 27 LYS 0.346 0.220 1 0 "[ ]"
1 28 THR 0.070 0.070 1 0 "[ ]"
1 30 PRO 0.294 0.294 1 0 "[ ]"
1 31 ASN 0.033 0.021 1 0 "[ ]"
1 32 LEU 0.021 0.021 1 0 "[ ]"
1 33 HIS 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.040 0.040 1 0 "[ ]"
1 36 PHE 0.183 0.072 1 0 "[ ]"
1 37 GLY 0.107 0.056 1 0 "[ ]"
1 38 ARG 0.622 0.304 1 0 "[ ]"
1 39 LYS 0.077 0.052 1 0 "[ ]"
1 40 THR 0.021 0.021 1 0 "[ ]"
1 41 GLY 0.021 0.021 1 0 "[ ]"
1 42 GLN 0.515 0.288 1 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 44 PRO 0.000 0.000 . 0 "[ ]"
1 45 GLY 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.214 0.214 1 0 "[ ]"
1 47 THR 0.000 0.000 . 0 "[ ]"
1 48 TYR 0.412 0.308 1 0 "[ ]"
1 49 THR 0.000 0.000 . 0 "[ ]"
1 50 ASP 0.311 0.164 1 0 "[ ]"
1 51 ALA 0.193 0.139 1 0 "[ ]"
1 52 ASN 0.519 0.308 1 0 "[ ]"
1 53 LYS 0.731 0.277 1 0 "[ ]"
1 54 ASN 0.416 0.277 1 0 "[ ]"
1 55 LYS 0.471 0.437 1 0 "[ ]"
1 56 GLY 0.559 0.437 1 0 "[ ]"
1 57 ILE 0.122 0.122 1 0 "[ ]"
1 58 THR 0.009 0.009 1 0 "[ ]"
1 59 TRP 0.709 0.304 1 0 "[ ]"
1 60 LYS 0.153 0.110 1 0 "[ ]"
1 61 GLU 0.003 0.003 1 0 "[ ]"
1 62 GLU 0.542 0.378 1 0 "[ ]"
1 63 THR 0.000 0.000 . 0 "[ ]"
1 64 LEU 0.151 0.106 1 0 "[ ]"
1 65 MET 0.078 0.054 1 0 "[ ]"
1 66 GLU 0.434 0.380 1 0 "[ ]"
1 67 TYR 0.233 0.178 1 0 "[ ]"
1 68 LEU 0.288 0.165 1 0 "[ ]"
1 69 GLU 0.628 0.343 1 0 "[ ]"
1 70 ASN 1.528 0.436 1 0 "[ ]"
1 71 PRO 0.008 0.008 1 0 "[ ]"
1 72 LYS 0.599 0.475 1 0 "[ ]"
1 73 LYS 0.917 0.436 1 0 "[ ]"
1 74 TYR 0.056 0.048 1 0 "[ ]"
1 75 ILE 0.203 0.169 1 0 "[ ]"
1 76 PRO 0.850 0.475 1 0 "[ ]"
1 77 GLY 0.037 0.037 1 0 "[ ]"
1 78 THR 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 MET 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.000 0.000 . 0 "[ ]"
1 82 PHE 0.000 0.000 . 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 GLY 0.033 0.033 1 0 "[ ]"
1 85 ILE 0.095 0.095 1 0 "[ ]"
1 86 LYS 0.011 0.011 1 0 "[ ]"
1 87 LYS 0.508 0.497 1 0 "[ ]"
1 88 LYS 0.267 0.183 1 0 "[ ]"
1 89 THR 0.214 0.128 1 0 "[ ]"
1 90 GLU 0.295 0.105 1 0 "[ ]"
1 91 ARG 0.642 0.410 1 0 "[ ]"
1 92 GLU 0.636 0.250 1 0 "[ ]"
1 93 ASP 0.290 0.224 1 0 "[ ]"
1 94 LEU 1.022 0.413 1 0 "[ ]"
1 95 ILE 0.413 0.413 1 0 "[ ]"
1 96 ALA 0.000 0.000 . 0 "[ ]"
1 97 TYR 0.114 0.064 1 0 "[ ]"
1 98 LEU 0.093 0.050 1 0 "[ ]"
1 99 LYS 0.770 0.482 1 0 "[ ]"
1 100 LYS 0.216 0.216 1 0 "[ ]"
1 101 ALA 0.066 0.066 1 0 "[ ]"
1 102 THR 0.014 0.014 1 0 "[ ]"
1 103 ASN 0.357 0.309 1 0 "[ ]"
1 104 GLU 0.177 0.163 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 1 GLY H1 1 1 GLY HA2 . . 3.390 2.326 2.326 2.326 . 0 0 "[ ]" 1
2 1 1 GLY H1 1 1 GLY HA3 . . 3.110 2.894 2.894 2.894 . 0 0 "[ ]" 1
3 1 1 GLY H1 1 2 ASP H . . 4.070 4.124 4.124 4.124 0.054 1 0 "[ ]" 1
4 1 1 GLY H1 1 96 ALA MB . . 4.640 3.709 3.709 3.709 . 0 0 "[ ]" 1
5 1 1 GLY HA2 1 2 ASP H . . 3.640 2.441 2.441 2.441 . 0 0 "[ ]" 1
6 1 1 GLY HA2 1 93 ASP HA . . 4.230 3.416 3.416 3.416 . 0 0 "[ ]" 1
7 1 1 GLY HA3 1 2 ASP H . . 3.610 2.767 2.767 2.767 . 0 0 "[ ]" 1
8 1 1 GLY HA3 1 92 GLU HB2 . . 4.450 3.272 3.272 3.272 . 0 0 "[ ]" 1
9 1 1 GLY HA3 1 93 ASP HA . . 3.670 2.246 2.246 2.246 . 0 0 "[ ]" 1
10 1 1 GLY HA3 1 96 ALA MB . . 3.430 3.062 3.062 3.062 . 0 0 "[ ]" 1
11 1 2 ASP H 1 2 ASP HB2 . . 3.240 2.461 2.461 2.461 . 0 0 "[ ]" 1
12 1 2 ASP H 1 2 ASP HB3 . . 3.050 2.836 2.836 2.836 . 0 0 "[ ]" 1
13 1 2 ASP H 1 3 VAL H . . 5.340 4.508 4.508 4.508 . 0 0 "[ ]" 1
14 1 2 ASP H 1 5 LYS HB2 . . 4.170 3.486 3.486 3.486 . 0 0 "[ ]" 1
15 1 2 ASP H 1 5 LYS HB3 . . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
16 1 2 ASP H 1 6 GLY H . . 5.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
17 1 2 ASP H 1 93 ASP H . . 5.500 4.315 4.315 4.315 . 0 0 "[ ]" 1
18 1 2 ASP H 1 93 ASP HA . . 2.860 2.401 2.401 2.401 . 0 0 "[ ]" 1
19 1 2 ASP H 1 93 ASP HB2 . . 5.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
20 1 2 ASP H 1 93 ASP HB3 . . 5.190 3.263 3.263 3.263 . 0 0 "[ ]" 1
21 1 2 ASP H 1 96 ALA MB . . 5.010 3.969 3.969 3.969 . 0 0 "[ ]" 1
22 1 2 ASP HA 1 2 ASP HB2 . . 2.990 2.696 2.696 2.696 . 0 0 "[ ]" 1
23 1 2 ASP HA 1 3 VAL H . . 2.680 2.213 2.213 2.213 . 0 0 "[ ]" 1
24 1 2 ASP HA 1 96 ALA MB . . 4.790 3.789 3.789 3.789 . 0 0 "[ ]" 1
25 1 2 ASP HB2 1 3 VAL H . . 4.320 4.560 4.560 4.560 0.240 1 0 "[ ]" 1
26 1 2 ASP HB2 1 5 LYS H . . 4.320 3.862 3.862 3.862 . 0 0 "[ ]" 1
27 1 2 ASP HB2 1 5 LYS HB2 . . 3.210 3.356 3.356 3.356 0.146 1 0 "[ ]" 1
28 1 2 ASP HB2 1 5 LYS HB3 . . 5.220 4.899 4.899 4.899 . 0 0 "[ ]" 1
29 1 2 ASP HB2 1 5 LYS HG3 . . 4.200 3.352 3.352 3.352 . 0 0 "[ ]" 1
30 1 2 ASP HB2 1 93 ASP HA . . 5.500 4.662 4.662 4.662 . 0 0 "[ ]" 1
31 1 2 ASP HB3 1 3 VAL H . . 4.820 4.082 4.082 4.082 . 0 0 "[ ]" 1
32 1 2 ASP HB3 1 5 LYS H . . 4.230 2.233 2.233 2.233 . 0 0 "[ ]" 1
33 1 2 ASP HB3 1 5 LYS HB2 . . 2.800 2.009 2.009 2.009 . 0 0 "[ ]" 1
34 1 2 ASP HB3 1 5 LYS HB3 . . 5.280 3.724 3.724 3.724 . 0 0 "[ ]" 1
35 1 2 ASP HB3 1 5 LYS HG3 . . 4.070 2.865 2.865 2.865 . 0 0 "[ ]" 1
36 1 2 ASP HB3 1 93 ASP HA . . 5.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
37 1 3 VAL H 1 3 VAL HB . . 2.900 2.916 2.916 2.916 0.016 1 0 "[ ]" 1
38 1 3 VAL H 1 3 VAL MG1 . . 3.430 1.849 1.849 1.849 . 0 0 "[ ]" 1
39 1 3 VAL H 1 3 VAL MG2 . . 4.510 3.708 3.708 3.708 . 0 0 "[ ]" 1
40 1 3 VAL H 1 4 GLU H . . 3.240 2.859 2.859 2.859 . 0 0 "[ ]" 1
41 1 3 VAL H 1 5 LYS H . . 5.160 4.619 4.619 4.619 . 0 0 "[ ]" 1
42 1 3 VAL H 1 96 ALA MB . . 5.410 3.259 3.259 3.259 . 0 0 "[ ]" 1
43 1 3 VAL H 1 97 TYR HA . . 4.720 4.784 4.784 4.784 0.064 1 0 "[ ]" 1
44 1 3 VAL HA 1 3 VAL HB . . 3.050 2.251 2.251 2.251 . 0 0 "[ ]" 1
45 1 3 VAL HA 1 3 VAL MG2 . . 3.610 2.680 2.680 2.680 . 0 0 "[ ]" 1
46 1 3 VAL HA 1 4 GLU H . . 3.700 3.617 3.617 3.617 . 0 0 "[ ]" 1
47 1 3 VAL HA 1 5 LYS H . . 5.500 4.627 4.627 4.627 . 0 0 "[ ]" 1
48 1 3 VAL HA 1 6 GLY H . . 3.670 3.091 3.091 3.091 . 0 0 "[ ]" 1
49 1 3 VAL HA 1 6 GLY HA3 . . 4.010 2.878 2.878 2.878 . 0 0 "[ ]" 1
50 1 3 VAL HA 1 7 LYS H . . 4.170 3.774 3.774 3.774 . 0 0 "[ ]" 1
51 1 3 VAL HA 1 96 ALA MB . . 4.230 3.133 3.133 3.133 . 0 0 "[ ]" 1
52 1 3 VAL HA 1 97 TYR H . . 3.550 2.722 2.722 2.722 . 0 0 "[ ]" 1
53 1 3 VAL HA 1 97 TYR HA . . 3.110 2.806 2.806 2.806 . 0 0 "[ ]" 1
54 1 3 VAL HA 1 97 TYR HB3 . . 3.950 3.251 3.251 3.251 . 0 0 "[ ]" 1
55 1 3 VAL HA 1 97 TYR QD . . 5.380 4.299 4.299 4.299 . 0 0 "[ ]" 1
56 1 3 VAL HB 1 6 GLY H . . 5.310 5.287 5.287 5.287 . 0 0 "[ ]" 1
57 1 3 VAL HB 1 96 ALA MB . . 4.230 3.233 3.233 3.233 . 0 0 "[ ]" 1
58 1 3 VAL HB 1 97 TYR HA . . 5.500 2.098 2.098 2.098 . 0 0 "[ ]" 1
59 1 3 VAL MG1 1 4 GLU H . . 4.480 2.796 2.796 2.796 . 0 0 "[ ]" 1
60 1 3 VAL MG1 1 96 ALA HA . . 6.530 5.313 5.313 5.313 . 0 0 "[ ]" 1
61 1 3 VAL MG1 1 96 ALA MB . . 5.320 3.402 3.402 3.402 . 0 0 "[ ]" 1
62 1 3 VAL MG1 1 97 TYR H . . 6.530 4.774 4.774 4.774 . 0 0 "[ ]" 1
63 1 3 VAL MG1 1 97 TYR HA . . 4.300 3.647 3.647 3.647 . 0 0 "[ ]" 1
64 1 3 VAL MG1 1 97 TYR HB3 . . 6.530 5.522 5.522 5.522 . 0 0 "[ ]" 1
65 1 3 VAL MG1 1 100 LYS H . . 6.500 5.153 5.153 5.153 . 0 0 "[ ]" 1
66 1 3 VAL MG1 1 100 LYS QE . . 7.400 4.501 4.501 4.501 . 0 0 "[ ]" 1
67 1 3 VAL MG2 1 4 GLU H . . 4.480 3.503 3.503 3.503 . 0 0 "[ ]" 1
68 1 3 VAL MG2 1 4 GLU HA . . 6.060 3.365 3.365 3.365 . 0 0 "[ ]" 1
69 1 3 VAL MG2 1 7 LYS H . . 5.810 3.619 3.619 3.619 . 0 0 "[ ]" 1
70 1 3 VAL MG2 1 7 LYS HA . . 5.810 4.578 4.578 4.578 . 0 0 "[ ]" 1
71 1 3 VAL MG2 1 96 ALA MB . . 7.560 4.420 4.420 4.420 . 0 0 "[ ]" 1
72 1 3 VAL MG2 1 97 TYR H . . 6.060 4.141 4.141 4.141 . 0 0 "[ ]" 1
73 1 3 VAL MG2 1 97 TYR HA . . 3.460 2.173 2.173 2.173 . 0 0 "[ ]" 1
74 1 3 VAL MG2 1 97 TYR HB3 . . 5.750 3.727 3.727 3.727 . 0 0 "[ ]" 1
75 1 3 VAL MG2 1 97 TYR QD . . 4.300 2.224 2.224 2.224 . 0 0 "[ ]" 1
76 1 3 VAL MG2 1 100 LYS H . . 6.280 4.354 4.354 4.354 . 0 0 "[ ]" 1
77 1 3 VAL MG2 1 100 LYS QE . . 7.400 4.707 4.707 4.707 . 0 0 "[ ]" 1
78 1 4 GLU H 1 4 GLU HB2 . . 2.590 2.427 2.427 2.427 . 0 0 "[ ]" 1
79 1 4 GLU H 1 4 GLU HG2 . . 4.290 3.658 3.658 3.658 . 0 0 "[ ]" 1
80 1 4 GLU H 1 4 GLU HG3 . . 4.260 2.730 2.730 2.730 . 0 0 "[ ]" 1
81 1 4 GLU H 1 6 GLY H . . 3.860 3.664 3.664 3.664 . 0 0 "[ ]" 1
82 1 4 GLU HA 1 4 GLU HB2 . . 2.900 3.058 3.058 3.058 0.158 1 0 "[ ]" 1
83 1 4 GLU HA 1 4 GLU HG3 . . 4.230 3.126 3.126 3.126 . 0 0 "[ ]" 1
84 1 4 GLU HA 1 5 LYS H . . 3.580 3.549 3.549 3.549 . 0 0 "[ ]" 1
85 1 4 GLU HA 1 6 GLY H . . 4.010 4.115 4.115 4.115 0.105 1 0 "[ ]" 1
86 1 4 GLU HA 1 7 LYS H . . 3.450 3.151 3.151 3.151 . 0 0 "[ ]" 1
87 1 4 GLU HA 1 7 LYS QB . . 4.300 2.749 2.749 2.749 . 0 0 "[ ]" 1
88 1 4 GLU HA 1 7 LYS QD . . 4.790 3.580 3.580 3.580 . 0 0 "[ ]" 1
89 1 4 GLU HA 1 8 LYS H . . 4.880 4.143 4.143 4.143 . 0 0 "[ ]" 1
90 1 4 GLU HA 1 97 TYR HB2 . . 5.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
91 1 4 GLU HB2 1 5 LYS H . . 3.140 2.660 2.660 2.660 . 0 0 "[ ]" 1
92 1 4 GLU HB2 1 6 GLY H . . 5.340 4.878 4.878 4.878 . 0 0 "[ ]" 1
93 1 4 GLU HG2 1 5 LYS H . . 5.500 4.974 4.974 4.974 . 0 0 "[ ]" 1
94 1 4 GLU HG3 1 5 LYS H . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1
95 1 5 LYS H 1 5 LYS HB2 . . 2.710 2.388 2.388 2.388 . 0 0 "[ ]" 1
96 1 5 LYS H 1 5 LYS HB3 . . 3.640 3.606 3.606 3.606 . 0 0 "[ ]" 1
97 1 5 LYS H 1 5 LYS HG2 . . 4.070 2.606 2.606 2.606 . 0 0 "[ ]" 1
98 1 5 LYS H 1 5 LYS HG3 . . 3.670 3.557 3.557 3.557 . 0 0 "[ ]" 1
99 1 5 LYS H 1 6 GLY H . . 3.020 2.596 2.596 2.596 . 0 0 "[ ]" 1
100 1 5 LYS H 1 7 LYS H . . 4.850 4.285 4.285 4.285 . 0 0 "[ ]" 1
101 1 5 LYS HA 1 5 LYS HB2 . . 3.050 3.071 3.071 3.071 0.021 1 0 "[ ]" 1
102 1 5 LYS HA 1 5 LYS HB3 . . 3.110 2.616 2.616 2.616 . 0 0 "[ ]" 1
103 1 5 LYS HA 1 5 LYS HG2 . . 3.170 2.683 2.683 2.683 . 0 0 "[ ]" 1
104 1 5 LYS HA 1 5 LYS HG3 . . 3.760 3.750 3.750 3.750 . 0 0 "[ ]" 1
105 1 5 LYS HA 1 6 GLY H . . 3.480 3.511 3.511 3.511 0.031 1 0 "[ ]" 1
106 1 5 LYS HA 1 7 LYS H . . 4.420 4.477 4.477 4.477 0.057 1 0 "[ ]" 1
107 1 5 LYS HA 1 8 LYS H . . 3.670 3.612 3.612 3.612 . 0 0 "[ ]" 1
108 1 5 LYS HA 1 8 LYS HB2 . . 2.900 2.847 2.847 2.847 . 0 0 "[ ]" 1
109 1 5 LYS HA 1 9 ILE H . . 4.660 4.043 4.043 4.043 . 0 0 "[ ]" 1
110 1 5 LYS HB2 1 6 GLY H . . 3.520 2.681 2.681 2.681 . 0 0 "[ ]" 1
111 1 5 LYS HB2 1 93 ASP HB2 . . 4.510 3.886 3.886 3.886 . 0 0 "[ ]" 1
112 1 5 LYS HB2 1 93 ASP HB3 . . 3.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
113 1 5 LYS HB3 1 6 GLY H . . 4.230 3.479 3.479 3.479 . 0 0 "[ ]" 1
114 1 5 LYS HB3 1 9 ILE MD . . 3.550 2.621 2.621 2.621 . 0 0 "[ ]" 1
115 1 5 LYS HG3 1 6 GLY H . . 5.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
116 1 6 GLY H 1 6 GLY HA2 . . 3.110 2.811 2.811 2.811 . 0 0 "[ ]" 1
117 1 6 GLY H 1 6 GLY HA3 . . 3.080 2.284 2.284 2.284 . 0 0 "[ ]" 1
118 1 6 GLY H 1 7 LYS H . . 3.300 2.800 2.800 2.800 . 0 0 "[ ]" 1
119 1 6 GLY H 1 8 LYS H . . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
120 1 6 GLY H 1 93 ASP HB2 . . 5.470 4.510 4.510 4.510 . 0 0 "[ ]" 1
121 1 6 GLY H 1 93 ASP HB3 . . 3.760 2.963 2.963 2.963 . 0 0 "[ ]" 1
122 1 6 GLY H 1 94 LEU HA . . 4.540 4.394 4.394 4.394 . 0 0 "[ ]" 1
123 1 6 GLY H 1 97 TYR H . . 5.380 4.672 4.672 4.672 . 0 0 "[ ]" 1
124 1 6 GLY H 1 97 TYR HB3 . . 5.040 4.404 4.404 4.404 . 0 0 "[ ]" 1
125 1 6 GLY HA2 1 7 LYS H . . 3.610 3.604 3.604 3.604 . 0 0 "[ ]" 1
126 1 6 GLY HA2 1 9 ILE H . . 4.290 3.547 3.547 3.547 . 0 0 "[ ]" 1
127 1 6 GLY HA2 1 9 ILE MD . . 3.890 2.324 2.324 2.324 . 0 0 "[ ]" 1
128 1 6 GLY HA2 1 9 ILE MG . . 6.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
129 1 6 GLY HA2 1 10 PHE H . . 5.500 3.981 3.981 3.981 . 0 0 "[ ]" 1
130 1 6 GLY HA2 1 93 ASP HB2 . . 4.970 3.683 3.683 3.683 . 0 0 "[ ]" 1
131 1 6 GLY HA2 1 93 ASP HB3 . . 4.790 3.217 3.217 3.217 . 0 0 "[ ]" 1
132 1 6 GLY HA2 1 94 LEU H . . 4.570 3.246 3.246 3.246 . 0 0 "[ ]" 1
133 1 6 GLY HA2 1 94 LEU HA . . 3.360 2.161 2.161 2.161 . 0 0 "[ ]" 1
134 1 6 GLY HA2 1 94 LEU HB3 . . 4.970 4.529 4.529 4.529 . 0 0 "[ ]" 1
135 1 6 GLY HA2 1 94 LEU MD1 . . 6.250 3.103 3.103 3.103 . 0 0 "[ ]" 1
136 1 6 GLY HA2 1 97 TYR H . . 5.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
137 1 6 GLY HA2 1 97 TYR HB2 . . 4.970 4.153 4.153 4.153 . 0 0 "[ ]" 1
138 1 6 GLY HA2 1 97 TYR HB3 . . 4.480 3.676 3.676 3.676 . 0 0 "[ ]" 1
139 1 6 GLY HA3 1 7 LYS H . . 3.450 2.832 2.832 2.832 . 0 0 "[ ]" 1
140 1 6 GLY HA3 1 9 ILE MD . . 6.530 3.858 3.858 3.858 . 0 0 "[ ]" 1
141 1 6 GLY HA3 1 10 PHE H . . 5.500 4.796 4.796 4.796 . 0 0 "[ ]" 1
142 1 6 GLY HA3 1 93 ASP HB2 . . 5.280 4.621 4.621 4.621 . 0 0 "[ ]" 1
143 1 6 GLY HA3 1 93 ASP HB3 . . 4.630 3.710 3.710 3.710 . 0 0 "[ ]" 1
144 1 6 GLY HA3 1 94 LEU H . . 5.310 4.037 4.037 4.037 . 0 0 "[ ]" 1
145 1 6 GLY HA3 1 94 LEU HB3 . . 5.500 5.250 5.250 5.250 . 0 0 "[ ]" 1
146 1 6 GLY HA3 1 94 LEU MD1 . . 4.390 3.584 3.584 3.584 . 0 0 "[ ]" 1
147 1 6 GLY HA3 1 97 TYR H . . 4.170 3.135 3.135 3.135 . 0 0 "[ ]" 1
148 1 6 GLY HA3 1 97 TYR HB2 . . 3.790 2.467 2.467 2.467 . 0 0 "[ ]" 1
149 1 6 GLY HA3 1 97 TYR HB3 . . 4.420 2.322 2.322 2.322 . 0 0 "[ ]" 1
150 1 7 LYS H 1 7 LYS QD . . 3.450 3.970 3.970 3.970 0.520 1 1 [+] 1
151 1 7 LYS H 1 7 LYS HG2 . . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
152 1 7 LYS H 1 8 LYS H . . 3.140 2.672 2.672 2.672 . 0 0 "[ ]" 1
153 1 7 LYS H 1 9 ILE H . . 4.630 4.166 4.166 4.166 . 0 0 "[ ]" 1
154 1 7 LYS H 1 97 TYR HB2 . . 4.140 2.903 2.903 2.903 . 0 0 "[ ]" 1
155 1 7 LYS H 1 97 TYR HB3 . . 4.850 3.873 3.873 3.873 . 0 0 "[ ]" 1
156 1 7 LYS H 1 97 TYR QD . . 5.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
157 1 7 LYS HA 1 7 LYS QD . . 3.420 3.788 3.788 3.788 0.368 1 0 "[ ]" 1
158 1 7 LYS HA 1 7 LYS HG2 . . 3.450 3.115 3.115 3.115 . 0 0 "[ ]" 1
159 1 7 LYS HA 1 7 LYS HG3 . . 3.480 2.366 2.366 2.366 . 0 0 "[ ]" 1
160 1 7 LYS HA 1 8 LYS H . . 4.170 3.587 3.587 3.587 . 0 0 "[ ]" 1
161 1 7 LYS HA 1 9 ILE H . . 5.500 4.574 4.574 4.574 . 0 0 "[ ]" 1
162 1 7 LYS HA 1 10 PHE H . . 4.010 3.372 3.372 3.372 . 0 0 "[ ]" 1
163 1 7 LYS HA 1 10 PHE HB2 . . 3.890 3.395 3.395 3.395 . 0 0 "[ ]" 1
164 1 7 LYS HA 1 10 PHE HB3 . . 3.450 2.627 2.627 2.627 . 0 0 "[ ]" 1
165 1 7 LYS HA 1 11 VAL H . . 4.040 3.928 3.928 3.928 . 0 0 "[ ]" 1
166 1 7 LYS HA 1 97 TYR QD . . 5.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
167 1 7 LYS HA 1 97 TYR QE . . 5.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
168 1 7 LYS QB 1 7 LYS QD . . 3.370 1.973 1.973 1.973 . 0 0 "[ ]" 1
169 1 7 LYS QB 1 8 LYS H . . 4.450 2.508 2.508 2.508 . 0 0 "[ ]" 1
170 1 7 LYS QD 1 97 TYR QE . . 5.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
171 1 7 LYS HG2 1 8 LYS H . . 5.500 4.200 4.200 4.200 . 0 0 "[ ]" 1
172 1 7 LYS HG3 1 97 TYR QE . . 5.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
173 1 8 LYS H 1 8 LYS HB2 . . 2.710 2.313 2.313 2.313 . 0 0 "[ ]" 1
174 1 8 LYS H 1 8 LYS HG2 . . 4.320 3.865 3.865 3.865 . 0 0 "[ ]" 1
175 1 8 LYS H 1 9 ILE H . . 2.830 2.722 2.722 2.722 . 0 0 "[ ]" 1
176 1 8 LYS H 1 10 PHE H . . 4.070 4.116 4.116 4.116 0.046 1 0 "[ ]" 1
177 1 8 LYS HA 1 8 LYS HB2 . . 2.830 3.036 3.036 3.036 0.206 1 0 "[ ]" 1
178 1 8 LYS HA 1 8 LYS HG2 . . 3.450 2.301 2.301 2.301 . 0 0 "[ ]" 1
179 1 8 LYS HA 1 9 ILE H . . 3.760 3.597 3.597 3.597 . 0 0 "[ ]" 1
180 1 8 LYS HA 1 10 PHE H . . 4.970 4.456 4.456 4.456 . 0 0 "[ ]" 1
181 1 8 LYS HA 1 11 VAL H . . 3.730 3.463 3.463 3.463 . 0 0 "[ ]" 1
182 1 8 LYS HA 1 11 VAL HB . . 2.710 2.623 2.623 2.623 . 0 0 "[ ]" 1
183 1 8 LYS HA 1 11 VAL MG1 . . 5.410 3.958 3.958 3.958 . 0 0 "[ ]" 1
184 1 8 LYS HA 1 12 GLN H . . 4.760 3.893 3.893 3.893 . 0 0 "[ ]" 1
185 1 8 LYS HB2 1 8 LYS HG2 . . 3.050 3.057 3.057 3.057 0.007 1 0 "[ ]" 1
186 1 8 LYS HB2 1 9 ILE H . . 3.170 2.729 2.729 2.729 . 0 0 "[ ]" 1
187 1 8 LYS HB2 1 9 ILE MD . . 4.950 4.598 4.598 4.598 . 0 0 "[ ]" 1
188 1 9 ILE H 1 9 ILE HB . . 2.900 2.450 2.450 2.450 . 0 0 "[ ]" 1
189 1 9 ILE H 1 9 ILE MD . . 4.730 3.226 3.226 3.226 . 0 0 "[ ]" 1
190 1 9 ILE H 1 9 ILE HG12 . . 3.920 3.615 3.615 3.615 . 0 0 "[ ]" 1
191 1 9 ILE H 1 9 ILE HG13 . . 2.930 2.201 2.201 2.201 . 0 0 "[ ]" 1
192 1 9 ILE H 1 9 ILE MG . . 4.540 3.791 3.791 3.791 . 0 0 "[ ]" 1
193 1 9 ILE H 1 10 PHE H . . 3.080 2.775 2.775 2.775 . 0 0 "[ ]" 1
194 1 9 ILE H 1 10 PHE HB2 . . 5.500 5.148 5.148 5.148 . 0 0 "[ ]" 1
195 1 9 ILE H 1 10 PHE HB3 . . 5.100 4.991 4.991 4.991 . 0 0 "[ ]" 1
196 1 9 ILE H 1 11 VAL H . . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
197 1 9 ILE H 1 11 VAL MG2 . . 6.530 5.454 5.454 5.454 . 0 0 "[ ]" 1
198 1 9 ILE H 1 12 GLN H . . 5.500 4.742 4.742 4.742 . 0 0 "[ ]" 1
199 1 9 ILE H 1 94 LEU MD1 . . 5.470 4.077 4.077 4.077 . 0 0 "[ ]" 1
200 1 9 ILE HA 1 9 ILE HB . . 2.990 3.019 3.019 3.019 0.029 1 0 "[ ]" 1
201 1 9 ILE HA 1 9 ILE MD . . 4.730 3.851 3.851 3.851 . 0 0 "[ ]" 1
202 1 9 ILE HA 1 9 ILE HG12 . . 3.420 2.672 2.672 2.672 . 0 0 "[ ]" 1
203 1 9 ILE HA 1 9 ILE HG13 . . 3.020 2.777 2.777 2.777 . 0 0 "[ ]" 1
204 1 9 ILE HA 1 9 ILE MG . . 3.550 2.480 2.480 2.480 . 0 0 "[ ]" 1
205 1 9 ILE HA 1 10 PHE H . . 3.790 3.592 3.592 3.592 . 0 0 "[ ]" 1
206 1 9 ILE HA 1 12 GLN H . . 3.610 3.501 3.501 3.501 . 0 0 "[ ]" 1
207 1 9 ILE HA 1 12 GLN HB2 . . 3.050 2.776 2.776 2.776 . 0 0 "[ ]" 1
208 1 9 ILE HA 1 12 GLN HB3 . . 4.480 4.480 4.480 4.480 . 0 0 "[ ]" 1
209 1 9 ILE HA 1 13 LYS H . . 4.850 3.827 3.827 3.827 . 0 0 "[ ]" 1
210 1 9 ILE HB 1 9 ILE MD . . 3.430 2.267 2.267 2.267 . 0 0 "[ ]" 1
211 1 9 ILE HB 1 10 PHE H . . 3.050 2.709 2.709 2.709 . 0 0 "[ ]" 1
212 1 9 ILE HB 1 94 LEU HB2 . . 3.210 3.103 3.103 3.103 . 0 0 "[ ]" 1
213 1 9 ILE HB 1 94 LEU HB3 . . 4.790 4.824 4.824 4.824 0.034 1 0 "[ ]" 1
214 1 9 ILE HB 1 94 LEU MD1 . . 3.740 2.364 2.364 2.364 . 0 0 "[ ]" 1
215 1 9 ILE HB 1 94 LEU MD2 . . 4.850 3.849 3.849 3.849 . 0 0 "[ ]" 1
216 1 9 ILE MD 1 10 PHE H . . 6.340 4.455 4.455 4.455 . 0 0 "[ ]" 1
217 1 9 ILE MD 1 13 LYS QE . . 6.630 3.661 3.661 3.661 . 0 0 "[ ]" 1
218 1 9 ILE MD 1 90 GLU HA . . 3.710 2.078 2.078 2.078 . 0 0 "[ ]" 1
219 1 9 ILE MD 1 90 GLU HB2 . . 4.610 3.755 3.755 3.755 . 0 0 "[ ]" 1
220 1 9 ILE MD 1 90 GLU HB3 . . 3.580 2.436 2.436 2.436 . 0 0 "[ ]" 1
221 1 9 ILE MD 1 90 GLU HG2 . . 3.740 2.256 2.256 2.256 . 0 0 "[ ]" 1
222 1 9 ILE MD 1 90 GLU HG3 . . 4.790 3.570 3.570 3.570 . 0 0 "[ ]" 1
223 1 9 ILE MD 1 93 ASP H . . 6.530 4.321 4.321 4.321 . 0 0 "[ ]" 1
224 1 9 ILE MD 1 93 ASP HB2 . . 4.390 2.541 2.541 2.541 . 0 0 "[ ]" 1
225 1 9 ILE MD 1 93 ASP HB3 . . 4.420 2.831 2.831 2.831 . 0 0 "[ ]" 1
226 1 9 ILE MD 1 94 LEU H . . 4.670 3.048 3.048 3.048 . 0 0 "[ ]" 1
227 1 9 ILE MD 1 94 LEU HA . . 6.530 3.719 3.719 3.719 . 0 0 "[ ]" 1
228 1 9 ILE HG13 1 10 PHE H . . 5.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
229 1 9 ILE MG 1 10 PHE H . . 4.640 3.535 3.535 3.535 . 0 0 "[ ]" 1
230 1 9 ILE MG 1 10 PHE HA . . 5.880 3.742 3.742 3.742 . 0 0 "[ ]" 1
231 1 9 ILE MG 1 12 GLN H . . 6.530 4.787 4.787 4.787 . 0 0 "[ ]" 1
232 1 9 ILE MG 1 13 LYS H . . 5.810 3.710 3.710 3.710 . 0 0 "[ ]" 1
233 1 9 ILE MG 1 13 LYS HA . . 6.530 5.457 5.457 5.457 . 0 0 "[ ]" 1
234 1 9 ILE MG 1 13 LYS HB3 . . 4.640 4.681 4.681 4.681 0.041 1 0 "[ ]" 1
235 1 9 ILE MG 1 13 LYS QE . . 6.320 1.857 1.857 1.857 . 0 0 "[ ]" 1
236 1 9 ILE MG 1 85 ILE MD . . 4.670 3.009 3.009 3.009 . 0 0 "[ ]" 1
237 1 9 ILE MG 1 90 GLU HB3 . . 3.430 2.561 2.561 2.561 . 0 0 "[ ]" 1
238 1 9 ILE MG 1 90 GLU HG3 . . 6.530 4.719 4.719 4.719 . 0 0 "[ ]" 1
239 1 9 ILE MG 1 94 LEU HA . . 5.600 4.066 4.066 4.066 . 0 0 "[ ]" 1
240 1 10 PHE H 1 10 PHE HB2 . . 2.990 2.494 2.494 2.494 . 0 0 "[ ]" 1
241 1 10 PHE H 1 10 PHE HB3 . . 2.960 2.527 2.527 2.527 . 0 0 "[ ]" 1
242 1 10 PHE H 1 11 VAL H . . 3.170 2.804 2.804 2.804 . 0 0 "[ ]" 1
243 1 10 PHE H 1 12 GLN H . . 4.290 4.218 4.218 4.218 . 0 0 "[ ]" 1
244 1 10 PHE H 1 94 LEU MD1 . . 3.890 2.570 2.570 2.570 . 0 0 "[ ]" 1
245 1 10 PHE H 1 94 LEU MD2 . . 6.370 4.608 4.608 4.608 . 0 0 "[ ]" 1
246 1 10 PHE HA 1 12 GLN H . . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
247 1 10 PHE HA 1 13 LYS H . . 4.230 3.514 3.514 3.514 . 0 0 "[ ]" 1
248 1 10 PHE HA 1 14 CYS H . . 4.570 3.201 3.201 3.201 . 0 0 "[ ]" 1
249 1 10 PHE HA 1 14 CYS HB2 . . 3.450 2.606 2.606 2.606 . 0 0 "[ ]" 1
250 1 10 PHE HA 1 94 LEU MD1 . . 4.230 2.480 2.480 2.480 . 0 0 "[ ]" 1
251 1 10 PHE HA 1 94 LEU MD2 . . 5.970 3.770 3.770 3.770 . 0 0 "[ ]" 1
252 1 10 PHE HB2 1 11 VAL H . . 3.830 3.837 3.837 3.837 0.007 1 0 "[ ]" 1
253 1 10 PHE HB2 1 94 LEU MD1 . . 3.580 2.033 2.033 2.033 . 0 0 "[ ]" 1
254 1 10 PHE HB2 1 94 LEU MD2 . . 5.290 4.168 4.168 4.168 . 0 0 "[ ]" 1
255 1 10 PHE HB2 1 97 TYR QE . . 5.500 2.711 2.711 2.711 . 0 0 "[ ]" 1
256 1 10 PHE HB2 1 98 LEU MD2 . . 6.530 3.439 3.439 3.439 . 0 0 "[ ]" 1
257 1 10 PHE HB3 1 11 VAL H . . 3.240 2.513 2.513 2.513 . 0 0 "[ ]" 1
258 1 10 PHE HB3 1 11 VAL MG2 . . 5.320 3.271 3.271 3.271 . 0 0 "[ ]" 1
259 1 10 PHE HB3 1 94 LEU MD1 . . 4.230 3.354 3.354 3.354 . 0 0 "[ ]" 1
260 1 10 PHE HB3 1 94 LEU MD2 . . 6.530 5.507 5.507 5.507 . 0 0 "[ ]" 1
261 1 10 PHE HB3 1 97 TYR QD . . 5.500 3.410 3.410 3.410 . 0 0 "[ ]" 1
262 1 10 PHE HB3 1 97 TYR QE . . 5.500 2.806 2.806 2.806 . 0 0 "[ ]" 1
263 1 10 PHE HD1 1 15 ALA MB . . 6.060 5.103 5.103 5.103 . 0 0 "[ ]" 1
264 1 10 PHE HD1 1 98 LEU MD2 . . 6.000 2.171 2.171 2.171 . 0 0 "[ ]" 1
265 1 10 PHE HD2 1 98 LEU MD2 . . 6.190 5.016 5.016 5.016 . 0 0 "[ ]" 1
266 1 10 PHE HE1 1 15 ALA MB . . 5.100 5.162 5.162 5.162 0.062 1 0 "[ ]" 1
267 1 10 PHE HE1 1 32 LEU MD1 . . 6.530 2.639 2.639 2.639 . 0 0 "[ ]" 1
268 1 10 PHE HE1 1 98 LEU MD2 . . 6.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
269 1 10 PHE HE2 1 98 LEU MD2 . . 6.190 5.161 5.161 5.161 . 0 0 "[ ]" 1
270 1 10 PHE HZ 1 14 CYS HB2 . . 5.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
271 1 10 PHE HZ 1 15 ALA HA . . 4.660 3.331 3.331 3.331 . 0 0 "[ ]" 1
272 1 10 PHE HZ 1 15 ALA MB . . 6.120 4.085 4.085 4.085 . 0 0 "[ ]" 1
273 1 10 PHE HZ 1 18 HIS H . . 5.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
274 1 10 PHE HZ 1 18 HIS HB2 . . 3.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
275 1 10 PHE HZ 1 18 HIS HB3 . . 3.450 3.454 3.454 3.454 0.004 1 0 "[ ]" 1
276 1 10 PHE HZ 1 19 THR HA . . 5.190 3.296 3.296 3.296 . 0 0 "[ ]" 1
277 1 10 PHE HZ 1 20 VAL H . . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
278 1 10 PHE HZ 1 20 VAL MG1 . . 3.860 2.462 2.462 2.462 . 0 0 "[ ]" 1
279 1 10 PHE HZ 1 20 VAL MG2 . . 5.780 3.287 3.287 3.287 . 0 0 "[ ]" 1
280 1 10 PHE HZ 1 32 LEU MD1 . . 5.350 3.391 3.391 3.391 . 0 0 "[ ]" 1
281 1 10 PHE HZ 1 98 LEU MD2 . . 5.750 4.177 4.177 4.177 . 0 0 "[ ]" 1
282 1 11 VAL H 1 11 VAL HB . . 2.740 2.351 2.351 2.351 . 0 0 "[ ]" 1
283 1 11 VAL H 1 11 VAL MG1 . . 4.450 3.735 3.735 3.735 . 0 0 "[ ]" 1
284 1 11 VAL H 1 11 VAL MG2 . . 3.430 2.226 2.226 2.226 . 0 0 "[ ]" 1
285 1 11 VAL H 1 12 GLN H . . 3.170 2.816 2.816 2.816 . 0 0 "[ ]" 1
286 1 11 VAL H 1 12 GLN HG3 . . 5.500 4.825 4.825 4.825 . 0 0 "[ ]" 1
287 1 11 VAL H 1 13 LYS H . . 5.250 4.324 4.324 4.324 . 0 0 "[ ]" 1
288 1 11 VAL H 1 94 LEU MD1 . . 6.530 4.588 4.588 4.588 . 0 0 "[ ]" 1
289 1 11 VAL HA 1 11 VAL HB . . 2.960 3.011 3.011 3.011 0.051 1 0 "[ ]" 1
290 1 11 VAL HA 1 11 VAL MG1 . . 3.430 2.482 2.482 2.482 . 0 0 "[ ]" 1
291 1 11 VAL HA 1 11 VAL MG2 . . 3.490 2.306 2.306 2.306 . 0 0 "[ ]" 1
292 1 11 VAL HA 1 13 LYS H . . 5.160 4.687 4.687 4.687 . 0 0 "[ ]" 1
293 1 11 VAL HA 1 14 CYS H . . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
294 1 11 VAL HA 1 15 ALA H . . 3.610 3.500 3.500 3.500 . 0 0 "[ ]" 1
295 1 11 VAL HA 1 15 ALA HA . . 5.250 4.858 4.858 4.858 . 0 0 "[ ]" 1
296 1 11 VAL HA 1 15 ALA MB . . 3.430 2.204 2.204 2.204 . 0 0 "[ ]" 1
297 1 11 VAL HB 1 12 GLN H . . 3.450 2.643 2.643 2.643 . 0 0 "[ ]" 1
298 1 11 VAL HB 1 12 GLN HG2 . . 4.630 4.451 4.451 4.451 . 0 0 "[ ]" 1
299 1 11 VAL HB 1 12 GLN HG3 . . 4.820 3.574 3.574 3.574 . 0 0 "[ ]" 1
300 1 11 VAL MG1 1 12 GLN H . . 4.950 3.249 3.249 3.249 . 0 0 "[ ]" 1
301 1 11 VAL MG1 1 12 GLN HA . . 5.320 3.336 3.336 3.336 . 0 0 "[ ]" 1
302 1 11 VAL MG1 1 15 ALA MB . . 5.540 3.474 3.474 3.474 . 0 0 "[ ]" 1
303 1 11 VAL MG2 1 12 GLN H . . 5.230 4.015 4.015 4.015 . 0 0 "[ ]" 1
304 1 11 VAL MG2 1 15 ALA MB . . 5.510 3.190 3.190 3.190 . 0 0 "[ ]" 1
305 1 12 GLN H 1 12 GLN HB2 . . 2.900 2.463 2.463 2.463 . 0 0 "[ ]" 1
306 1 12 GLN H 1 12 GLN HB3 . . 3.760 3.619 3.619 3.619 . 0 0 "[ ]" 1
307 1 12 GLN H 1 12 GLN HG2 . . 4.480 3.368 3.368 3.368 . 0 0 "[ ]" 1
308 1 12 GLN H 1 12 GLN HG3 . . 3.860 2.519 2.519 2.519 . 0 0 "[ ]" 1
309 1 12 GLN H 1 13 LYS H . . 3.110 2.800 2.800 2.800 . 0 0 "[ ]" 1
310 1 12 GLN H 1 13 LYS HB3 . . 5.500 5.662 5.662 5.662 0.162 1 0 "[ ]" 1
311 1 12 GLN H 1 14 CYS H . . 5.280 4.477 4.477 4.477 . 0 0 "[ ]" 1
312 1 12 GLN HA 1 12 GLN HB3 . . 2.830 2.479 2.479 2.479 . 0 0 "[ ]" 1
313 1 12 GLN HA 1 12 GLN HG2 . . 3.050 2.285 2.285 2.285 . 0 0 "[ ]" 1
314 1 12 GLN HA 1 12 GLN HG3 . . 4.010 3.194 3.194 3.194 . 0 0 "[ ]" 1
315 1 12 GLN HA 1 13 LYS H . . 3.890 3.610 3.610 3.610 . 0 0 "[ ]" 1
316 1 12 GLN HB2 1 13 LYS H . . 3.550 3.020 3.020 3.020 . 0 0 "[ ]" 1
317 1 12 GLN HB3 1 13 LYS H . . 4.230 3.830 3.830 3.830 . 0 0 "[ ]" 1
318 1 13 LYS H 1 13 LYS HB3 . . 3.300 3.465 3.465 3.465 0.165 1 0 "[ ]" 1
319 1 13 LYS H 1 13 LYS QD . . 4.860 2.805 2.805 2.805 . 0 0 "[ ]" 1
320 1 13 LYS H 1 14 CYS H . . 3.050 2.493 2.493 2.493 . 0 0 "[ ]" 1
321 1 13 LYS H 1 15 ALA H . . 4.380 4.164 4.164 4.164 . 0 0 "[ ]" 1
322 1 13 LYS HA 1 13 LYS QD . . 4.450 3.882 3.882 3.882 . 0 0 "[ ]" 1
323 1 13 LYS HA 1 14 CYS H . . 4.140 3.019 3.019 3.019 . 0 0 "[ ]" 1
324 1 13 LYS HB3 1 85 ILE MD . . 5.600 4.639 4.639 4.639 . 0 0 "[ ]" 1
325 1 13 LYS QD 1 14 CYS H . . 6.380 4.908 4.908 4.908 . 0 0 "[ ]" 1
326 1 13 LYS QE 1 85 ILE MD . . 7.400 2.535 2.535 2.535 . 0 0 "[ ]" 1
327 1 13 LYS QE 1 85 ILE MG . . 7.400 3.519 3.519 3.519 . 0 0 "[ ]" 1
328 1 13 LYS QG 1 14 CYS H . . 6.380 4.039 4.039 4.039 . 0 0 "[ ]" 1
329 1 13 LYS QG 1 85 ILE MD . . 5.950 2.427 2.427 2.427 . 0 0 "[ ]" 1
330 1 14 CYS H 1 14 CYS HB2 . . 3.640 2.848 2.848 2.848 . 0 0 "[ ]" 1
331 1 14 CYS H 1 15 ALA H . . 2.650 2.012 2.012 2.012 . 0 0 "[ ]" 1
332 1 14 CYS H 1 15 ALA HA . . 4.880 4.600 4.600 4.600 . 0 0 "[ ]" 1
333 1 14 CYS H 1 15 ALA MB . . 5.040 3.580 3.580 3.580 . 0 0 "[ ]" 1
334 1 14 CYS H 1 16 GLN H . . 5.500 3.634 3.634 3.634 . 0 0 "[ ]" 1
335 1 14 CYS HA 1 15 ALA H . . 4.450 3.565 3.565 3.565 . 0 0 "[ ]" 1
336 1 14 CYS HB2 1 15 ALA H . . 3.360 2.355 2.355 2.355 . 0 0 "[ ]" 1
337 1 15 ALA H 1 15 ALA MB . . 3.430 2.165 2.165 2.165 . 0 0 "[ ]" 1
338 1 15 ALA H 1 16 GLN H . . 3.830 3.066 3.066 3.066 . 0 0 "[ ]" 1
339 1 15 ALA H 1 17 CYS H . . 5.500 5.055 5.055 5.055 . 0 0 "[ ]" 1
340 1 15 ALA HA 1 16 GLN H . . 4.230 3.417 3.417 3.417 . 0 0 "[ ]" 1
341 1 15 ALA HA 1 17 CYS H . . 4.380 4.225 4.225 4.225 . 0 0 "[ ]" 1
342 1 15 ALA HA 1 18 HIS H . . 3.480 3.216 3.216 3.216 . 0 0 "[ ]" 1
343 1 15 ALA HA 1 18 HIS HB3 . . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
344 1 15 ALA MB 1 16 GLN H . . 4.850 3.070 3.070 3.070 . 0 0 "[ ]" 1
345 1 15 ALA MB 1 18 HIS H . . 6.530 4.472 4.472 4.472 . 0 0 "[ ]" 1
346 1 16 GLN H 1 16 GLN HB2 . . 3.330 2.312 2.312 2.312 . 0 0 "[ ]" 1
347 1 16 GLN H 1 16 GLN HB3 . . 3.550 2.572 2.572 2.572 . 0 0 "[ ]" 1
348 1 16 GLN H 1 16 GLN HG2 . . 5.500 4.482 4.482 4.482 . 0 0 "[ ]" 1
349 1 16 GLN H 1 16 GLN HG3 . . 4.570 4.300 4.300 4.300 . 0 0 "[ ]" 1
350 1 16 GLN H 1 17 CYS H . . 3.520 2.748 2.748 2.748 . 0 0 "[ ]" 1
351 1 16 GLN H 1 18 HIS H . . 3.890 3.926 3.926 3.926 0.036 1 0 "[ ]" 1
352 1 16 GLN HA 1 16 GLN HB2 . . 2.960 2.574 2.574 2.574 . 0 0 "[ ]" 1
353 1 16 GLN HA 1 17 CYS H . . 5.500 3.546 3.546 3.546 . 0 0 "[ ]" 1
354 1 16 GLN HB2 1 16 GLN HG2 . . 3.020 3.047 3.047 3.047 0.027 1 0 "[ ]" 1
355 1 16 GLN HB2 1 16 GLN HG3 . . 2.400 2.367 2.367 2.367 . 0 0 "[ ]" 1
356 1 16 GLN HB2 1 17 CYS H . . 4.970 3.629 3.629 3.629 . 0 0 "[ ]" 1
357 1 16 GLN HB3 1 17 CYS H . . 4.570 2.305 2.305 2.305 . 0 0 "[ ]" 1
358 1 16 GLN HG2 1 17 CYS H . . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
359 1 16 GLN HG3 1 17 CYS H . . 5.500 4.746 4.746 4.746 . 0 0 "[ ]" 1
360 1 17 CYS H 1 18 HIS H . . 2.830 2.295 2.295 2.295 . 0 0 "[ ]" 1
361 1 17 CYS HA 1 27 LYS HA . . 5.500 4.773 4.773 4.773 . 0 0 "[ ]" 1
362 1 17 CYS HA 1 27 LYS HB2 . . 3.730 2.578 2.578 2.578 . 0 0 "[ ]" 1
363 1 17 CYS HA 1 27 LYS HD2 . . 5.500 3.545 3.545 3.545 . 0 0 "[ ]" 1
364 1 17 CYS HA 1 27 LYS QE . . 6.380 4.172 4.172 4.172 . 0 0 "[ ]" 1
365 1 17 CYS HA 1 28 THR H . . 5.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
366 1 17 CYS HA 1 28 THR HA . . 5.500 5.570 5.570 5.570 0.070 1 0 "[ ]" 1
367 1 17 CYS HA 1 28 THR HB . . 3.920 3.708 3.708 3.708 . 0 0 "[ ]" 1
368 1 17 CYS HA 1 28 THR MG . . 6.530 5.167 5.167 5.167 . 0 0 "[ ]" 1
369 1 18 HIS H 1 18 HIS HA . . 2.990 2.993 2.993 2.993 0.003 1 0 "[ ]" 1
370 1 18 HIS H 1 18 HIS HB2 . . 3.890 2.671 2.671 2.671 . 0 0 "[ ]" 1
371 1 18 HIS HA 1 19 THR HA . . 4.970 4.577 4.577 4.577 . 0 0 "[ ]" 1
372 1 18 HIS HA 1 19 THR HB . . 5.500 5.575 5.575 5.575 0.075 1 0 "[ ]" 1
373 1 18 HIS HA 1 27 LYS QB . . 6.250 3.500 3.500 3.500 . 0 0 "[ ]" 1
374 1 18 HIS HA 1 27 LYS HD2 . . 4.570 3.218 3.218 3.218 . 0 0 "[ ]" 1
375 1 18 HIS HA 1 27 LYS QD . . 4.640 3.110 3.110 3.110 . 0 0 "[ ]" 1
376 1 18 HIS HA 1 31 ASN HA . . 5.130 3.894 3.894 3.894 . 0 0 "[ ]" 1
377 1 18 HIS HB2 1 32 LEU HG . . 5.070 4.418 4.418 4.418 . 0 0 "[ ]" 1
378 1 18 HIS HB3 1 20 VAL MG1 . . 6.530 4.076 4.076 4.076 . 0 0 "[ ]" 1
379 1 18 HIS HB3 1 32 LEU MD1 . . 4.020 3.075 3.075 3.075 . 0 0 "[ ]" 1
380 1 18 HIS HB3 1 32 LEU MD2 . . 6.530 3.877 3.877 3.877 . 0 0 "[ ]" 1
381 1 18 HIS HB3 1 32 LEU HG . . 3.700 2.808 2.808 2.808 . 0 0 "[ ]" 1
382 1 18 HIS HD1 1 32 LEU MD1 . . 5.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
383 1 18 HIS HD1 1 32 LEU MD2 . . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
384 1 18 HIS HD1 1 32 LEU HG . . 3.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
385 1 19 THR H 1 19 THR HG1 . . 5.500 3.760 3.760 3.760 . 0 0 "[ ]" 1
386 1 19 THR H 1 19 THR MG . . 4.080 3.347 3.347 3.347 . 0 0 "[ ]" 1
387 1 19 THR H 1 31 ASN HA . . 3.240 2.581 2.581 2.581 . 0 0 "[ ]" 1
388 1 19 THR H 1 32 LEU H . . 5.310 3.017 3.017 3.017 . 0 0 "[ ]" 1
389 1 19 THR HA 1 19 THR HB . . 2.830 2.582 2.582 2.582 . 0 0 "[ ]" 1
390 1 19 THR HA 1 19 THR MG . . 3.430 2.317 2.317 2.317 . 0 0 "[ ]" 1
391 1 19 THR HA 1 20 VAL H . . 2.680 2.238 2.238 2.238 . 0 0 "[ ]" 1
392 1 19 THR HA 1 20 VAL HA . . 5.500 4.514 4.514 4.514 . 0 0 "[ ]" 1
393 1 19 THR HA 1 20 VAL MG1 . . 4.880 3.857 3.857 3.857 . 0 0 "[ ]" 1
394 1 19 THR HA 1 20 VAL MG2 . . 4.820 3.523 3.523 3.523 . 0 0 "[ ]" 1
395 1 19 THR HA 1 21 GLU H . . 4.970 3.635 3.635 3.635 . 0 0 "[ ]" 1
396 1 19 THR HB 1 20 VAL H . . 3.140 2.968 2.968 2.968 . 0 0 "[ ]" 1
397 1 19 THR HB 1 20 VAL MG1 . . 6.530 5.105 5.105 5.105 . 0 0 "[ ]" 1
398 1 19 THR HB 1 20 VAL MG2 . . 6.340 4.558 4.558 4.558 . 0 0 "[ ]" 1
399 1 19 THR HB 1 21 GLU H . . 4.170 2.805 2.805 2.805 . 0 0 "[ ]" 1
400 1 19 THR HB 1 21 GLU HG3 . . 5.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
401 1 19 THR HB 1 24 GLY H . . 5.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
402 1 19 THR HB 1 24 GLY HA2 . . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
403 1 19 THR HB 1 24 GLY HA3 . . 5.470 2.369 2.369 2.369 . 0 0 "[ ]" 1
404 1 19 THR HB 1 31 ASN HA . . 5.070 4.200 4.200 4.200 . 0 0 "[ ]" 1
405 1 19 THR HB 1 31 ASN HB2 . . 5.440 4.355 4.355 4.355 . 0 0 "[ ]" 1
406 1 19 THR HB 1 31 ASN HB3 . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
407 1 19 THR HB 1 31 ASN QD . . 6.370 2.861 2.861 2.861 . 0 0 "[ ]" 1
408 1 19 THR HG1 1 20 VAL HA . . 5.500 5.553 5.553 5.553 0.053 1 0 "[ ]" 1
409 1 19 THR HG1 1 24 GLY H . . 4.850 4.619 4.619 4.619 . 0 0 "[ ]" 1
410 1 19 THR HG1 1 24 GLY HA3 . . 4.010 2.927 2.927 2.927 . 0 0 "[ ]" 1
411 1 19 THR HG1 1 31 ASN H . . 5.500 4.689 4.689 4.689 . 0 0 "[ ]" 1
412 1 19 THR HG1 1 31 ASN HA . . 3.480 3.117 3.117 3.117 . 0 0 "[ ]" 1
413 1 19 THR HG1 1 31 ASN HB2 . . 3.330 2.444 2.444 2.444 . 0 0 "[ ]" 1
414 1 19 THR HG1 1 31 ASN HB3 . . 4.760 3.980 3.980 3.980 . 0 0 "[ ]" 1
415 1 19 THR MG 1 20 VAL H . . 4.700 3.758 3.758 3.758 . 0 0 "[ ]" 1
416 1 19 THR MG 1 20 VAL MG1 . . 7.560 5.245 5.245 5.245 . 0 0 "[ ]" 1
417 1 19 THR MG 1 21 GLU H . . 6.530 4.091 4.091 4.091 . 0 0 "[ ]" 1
418 1 19 THR MG 1 24 GLY HA2 . . 5.880 2.749 2.749 2.749 . 0 0 "[ ]" 1
419 1 19 THR MG 1 24 GLY HA3 . . 6.530 2.200 2.200 2.200 . 0 0 "[ ]" 1
420 1 19 THR MG 1 31 ASN HA . . 5.040 4.259 4.259 4.259 . 0 0 "[ ]" 1
421 1 20 VAL H 1 20 VAL HB . . 4.320 3.749 3.749 3.749 . 0 0 "[ ]" 1
422 1 20 VAL H 1 20 VAL MG1 . . 4.360 2.964 2.964 2.964 . 0 0 "[ ]" 1
423 1 20 VAL H 1 20 VAL MG2 . . 3.430 1.964 1.964 1.964 . 0 0 "[ ]" 1
424 1 20 VAL H 1 21 GLU H . . 2.960 1.949 1.949 1.949 . 0 0 "[ ]" 1
425 1 20 VAL H 1 21 GLU HA . . 5.500 4.605 4.605 4.605 . 0 0 "[ ]" 1
426 1 20 VAL H 1 21 GLU QB . . 4.510 4.127 4.127 4.127 . 0 0 "[ ]" 1
427 1 20 VAL H 1 21 GLU HG3 . . 5.500 3.618 3.618 3.618 . 0 0 "[ ]" 1
428 1 20 VAL H 1 101 ALA MB . . 6.530 4.930 4.930 4.930 . 0 0 "[ ]" 1
429 1 20 VAL HA 1 20 VAL HB . . 2.710 2.572 2.572 2.572 . 0 0 "[ ]" 1
430 1 20 VAL HA 1 20 VAL MG1 . . 3.580 2.374 2.374 2.374 . 0 0 "[ ]" 1
431 1 20 VAL HA 1 31 ASN QD . . 6.370 4.396 4.396 4.396 . 0 0 "[ ]" 1
432 1 20 VAL HA 1 32 LEU H . . 3.360 3.218 3.218 3.218 . 0 0 "[ ]" 1
433 1 20 VAL HA 1 32 LEU HB2 . . 3.830 2.474 2.474 2.474 . 0 0 "[ ]" 1
434 1 20 VAL HA 1 32 LEU HB3 . . 5.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
435 1 20 VAL HA 1 33 HIS H . . 4.600 2.438 2.438 2.438 . 0 0 "[ ]" 1
436 1 20 VAL HA 1 33 HIS QB . . 5.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
437 1 20 VAL HA 1 101 ALA MB . . 6.530 4.758 4.758 4.758 . 0 0 "[ ]" 1
438 1 20 VAL HB 1 98 LEU MD2 . . 5.940 4.608 4.608 4.608 . 0 0 "[ ]" 1
439 1 20 VAL HB 1 101 ALA H . . 5.500 5.566 5.566 5.566 0.066 1 0 "[ ]" 1
440 1 20 VAL HB 1 101 ALA MB . . 3.990 2.624 2.624 2.624 . 0 0 "[ ]" 1
441 1 20 VAL HB 1 102 THR MG . . 3.430 2.578 2.578 2.578 . 0 0 "[ ]" 1
442 1 20 VAL MG1 1 32 LEU H . . 6.120 3.783 3.783 3.783 . 0 0 "[ ]" 1
443 1 20 VAL MG1 1 32 LEU MD1 . . 7.560 2.042 2.042 2.042 . 0 0 "[ ]" 1
444 1 20 VAL MG1 1 97 TYR QE . . 6.530 3.693 3.693 3.693 . 0 0 "[ ]" 1
445 1 20 VAL MG1 1 98 LEU HA . . 5.290 3.519 3.519 3.519 . 0 0 "[ ]" 1
446 1 20 VAL MG1 1 98 LEU MD2 . . 6.040 2.516 2.516 2.516 . 0 0 "[ ]" 1
447 1 20 VAL MG1 1 102 THR HA . . 6.090 3.899 3.899 3.899 . 0 0 "[ ]" 1
448 1 20 VAL MG2 1 21 GLU H . . 4.640 2.865 2.865 2.865 . 0 0 "[ ]" 1
449 1 20 VAL MG2 1 21 GLU HA . . 6.530 3.710 3.710 3.710 . 0 0 "[ ]" 1
450 1 20 VAL MG2 1 21 GLU QB . . 4.980 3.536 3.536 3.536 . 0 0 "[ ]" 1
451 1 20 VAL MG2 1 21 GLU HG3 . . 4.700 4.512 4.512 4.512 . 0 0 "[ ]" 1
452 1 20 VAL MG2 1 32 LEU H . . 6.530 5.462 5.462 5.462 . 0 0 "[ ]" 1
453 1 20 VAL MG2 1 97 TYR QE . . 5.410 3.356 3.356 3.356 . 0 0 "[ ]" 1
454 1 20 VAL MG2 1 98 LEU MD2 . . 5.390 3.772 3.772 3.772 . 0 0 "[ ]" 1
455 1 20 VAL MG2 1 101 ALA MB . . 4.460 1.965 1.965 1.965 . 0 0 "[ ]" 1
456 1 20 VAL MG2 1 102 THR HA . . 5.010 4.212 4.212 4.212 . 0 0 "[ ]" 1
457 1 21 GLU H 1 21 GLU QB . . 3.330 2.745 2.745 2.745 . 0 0 "[ ]" 1
458 1 21 GLU H 1 21 GLU HG3 . . 4.450 2.201 2.201 2.201 . 0 0 "[ ]" 1
459 1 21 GLU HA 1 21 GLU QB . . 2.740 2.209 2.209 2.209 . 0 0 "[ ]" 1
460 1 21 GLU HA 1 21 GLU HG3 . . 3.550 3.736 3.736 3.736 0.186 1 0 "[ ]" 1
461 1 21 GLU HA 1 22 LYS H . . 2.740 2.350 2.350 2.350 . 0 0 "[ ]" 1
462 1 21 GLU HA 1 22 LYS HG3 . . 5.500 4.431 4.431 4.431 . 0 0 "[ ]" 1
463 1 21 GLU QB 1 21 GLU HG3 . . 2.400 2.462 2.462 2.462 0.062 1 0 "[ ]" 1
464 1 21 GLU QB 1 22 LYS H . . 2.860 2.736 2.736 2.736 . 0 0 "[ ]" 1
465 1 21 GLU QB 1 24 GLY H . . 3.920 3.412 3.412 3.412 . 0 0 "[ ]" 1
466 1 21 GLU HG3 1 22 LYS H . . 4.570 4.432 4.432 4.432 . 0 0 "[ ]" 1
467 1 21 GLU HG3 1 24 GLY H . . 3.790 2.714 2.714 2.714 . 0 0 "[ ]" 1
468 1 21 GLU HG3 1 24 GLY HA2 . . 5.440 3.575 3.575 3.575 . 0 0 "[ ]" 1
469 1 21 GLU HG3 1 24 GLY HA3 . . 4.690 2.241 2.241 2.241 . 0 0 "[ ]" 1
470 1 22 LYS H 1 22 LYS QB . . 2.960 2.403 2.403 2.403 . 0 0 "[ ]" 1
471 1 22 LYS H 1 22 LYS QD . . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
472 1 22 LYS H 1 22 LYS QE . . 5.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
473 1 22 LYS H 1 22 LYS HG2 . . 5.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
474 1 22 LYS H 1 22 LYS HG3 . . 3.110 2.640 2.640 2.640 . 0 0 "[ ]" 1
475 1 22 LYS H 1 24 GLY H . . 5.500 4.412 4.412 4.412 . 0 0 "[ ]" 1
476 1 22 LYS H 1 33 HIS QB . . 5.500 5.136 5.136 5.136 . 0 0 "[ ]" 1
477 1 22 LYS H 1 33 HIS HD2 . . 5.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
478 1 22 LYS HA 1 22 LYS QD . . 4.290 3.656 3.656 3.656 . 0 0 "[ ]" 1
479 1 22 LYS HA 1 22 LYS QE . . 5.380 4.481 4.481 4.481 . 0 0 "[ ]" 1
480 1 22 LYS HA 1 22 LYS HG2 . . 3.550 2.278 2.278 2.278 . 0 0 "[ ]" 1
481 1 22 LYS HA 1 22 LYS HG3 . . 3.390 3.193 3.193 3.193 . 0 0 "[ ]" 1
482 1 22 LYS HA 1 23 GLY H . . 3.080 2.347 2.347 2.347 . 0 0 "[ ]" 1
483 1 22 LYS HA 1 24 GLY H . . 4.260 3.758 3.758 3.758 . 0 0 "[ ]" 1
484 1 22 LYS HA 1 33 HIS QB . . 4.230 3.868 3.868 3.868 . 0 0 "[ ]" 1
485 1 22 LYS QB 1 22 LYS QE . . 3.390 3.547 3.547 3.547 0.157 1 0 "[ ]" 1
486 1 22 LYS QB 1 22 LYS HG3 . . 2.400 2.311 2.311 2.311 . 0 0 "[ ]" 1
487 1 22 LYS QD 1 22 LYS QE . . 2.430 2.135 2.135 2.135 . 0 0 "[ ]" 1
488 1 22 LYS HG2 1 23 GLY H . . 5.220 4.102 4.102 4.102 . 0 0 "[ ]" 1
489 1 23 GLY H 1 24 GLY H . . 3.950 3.288 3.288 3.288 . 0 0 "[ ]" 1
490 1 23 GLY H 1 31 ASN QD . . 6.370 3.916 3.916 3.916 . 0 0 "[ ]" 1
491 1 23 GLY HA2 1 24 GLY H . . 4.230 3.591 3.591 3.591 . 0 0 "[ ]" 1
492 1 23 GLY HA3 1 24 GLY H . . 3.330 2.900 2.900 2.900 . 0 0 "[ ]" 1
493 1 24 GLY H 1 24 GLY HA3 . . 2.740 2.300 2.300 2.300 . 0 0 "[ ]" 1
494 1 24 GLY H 1 25 LYS H . . 4.660 4.212 4.212 4.212 . 0 0 "[ ]" 1
495 1 24 GLY H 1 31 ASN QD . . 5.780 3.238 3.238 3.238 . 0 0 "[ ]" 1
496 1 24 GLY HA2 1 25 LYS H . . 2.830 2.054 2.054 2.054 . 0 0 "[ ]" 1
497 1 24 GLY HA3 1 25 LYS H . . 3.140 3.259 3.259 3.259 0.119 1 0 "[ ]" 1
498 1 24 GLY HA3 1 31 ASN QD . . 6.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
499 1 25 LYS H 1 25 LYS HB2 . . 3.640 3.605 3.605 3.605 . 0 0 "[ ]" 1
500 1 25 LYS H 1 25 LYS HB3 . . 3.170 2.433 2.433 2.433 . 0 0 "[ ]" 1
501 1 25 LYS H 1 25 LYS HD2 . . 5.470 3.630 3.630 3.630 . 0 0 "[ ]" 1
502 1 25 LYS H 1 25 LYS QE . . 6.380 4.776 4.776 4.776 . 0 0 "[ ]" 1
503 1 25 LYS H 1 25 LYS QG . . 3.170 2.272 2.272 2.272 . 0 0 "[ ]" 1
504 1 25 LYS H 1 26 HIS H . . 5.470 4.612 4.612 4.612 . 0 0 "[ ]" 1
505 1 25 LYS HA 1 25 LYS HB2 . . 3.080 2.462 2.462 2.462 . 0 0 "[ ]" 1
506 1 25 LYS HA 1 25 LYS HD2 . . 4.570 4.648 4.648 4.648 0.078 1 0 "[ ]" 1
507 1 25 LYS HA 1 25 LYS QG . . 3.730 3.370 3.370 3.370 . 0 0 "[ ]" 1
508 1 25 LYS HA 1 26 HIS H . . 2.800 2.180 2.180 2.180 . 0 0 "[ ]" 1
509 1 25 LYS HB3 1 26 HIS H . . 3.950 4.096 4.096 4.096 0.146 1 0 "[ ]" 1
510 1 25 LYS QG 1 26 HIS H . . 5.500 4.091 4.091 4.091 . 0 0 "[ ]" 1
511 1 25 LYS QG 1 27 LYS HG3 . . 2.710 2.327 2.327 2.327 . 0 0 "[ ]" 1
512 1 26 HIS H 1 26 HIS HB2 . . 3.890 2.072 2.072 2.072 . 0 0 "[ ]" 1
513 1 26 HIS H 1 26 HIS HB3 . . 3.480 3.342 3.342 3.342 . 0 0 "[ ]" 1
514 1 26 HIS H 1 27 LYS H . . 4.480 4.524 4.524 4.524 0.044 1 0 "[ ]" 1
515 1 26 HIS H 1 31 ASN HB2 . . 4.690 4.341 4.341 4.341 . 0 0 "[ ]" 1
516 1 26 HIS HA 1 26 HIS HE1 . . 5.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
517 1 26 HIS HA 1 27 LYS H . . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
518 1 26 HIS HA 1 30 PRO HA . . 4.450 3.254 3.254 3.254 . 0 0 "[ ]" 1
519 1 26 HIS HA 1 31 ASN H . . 3.920 3.291 3.291 3.291 . 0 0 "[ ]" 1
520 1 26 HIS HB2 1 27 LYS H . . 4.690 4.563 4.563 4.563 . 0 0 "[ ]" 1
521 1 26 HIS HB2 1 30 PRO HA . . 5.500 4.955 4.955 4.955 . 0 0 "[ ]" 1
522 1 26 HIS HB3 1 26 HIS HD2 . . 4.070 2.503 2.503 2.503 . 0 0 "[ ]" 1
523 1 26 HIS HB3 1 27 LYS H . . 4.420 3.632 3.632 3.632 . 0 0 "[ ]" 1
524 1 26 HIS HB3 1 30 PRO HA . . 3.830 4.124 4.124 4.124 0.294 1 0 "[ ]" 1
525 1 26 HIS HD2 1 30 PRO HA . . 5.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
526 1 26 HIS HD2 1 30 PRO HB3 . . 5.100 3.469 3.469 3.469 . 0 0 "[ ]" 1
527 1 26 HIS HD2 1 45 GLY HA2 . . 5.500 4.773 4.773 4.773 . 0 0 "[ ]" 1
528 1 26 HIS HD2 1 45 GLY HA3 . . 5.500 3.391 3.391 3.391 . 0 0 "[ ]" 1
529 1 26 HIS HD2 1 46 PHE HA . . 4.880 3.119 3.119 3.119 . 0 0 "[ ]" 1
530 1 26 HIS HE1 1 30 PRO HA . . 4.630 3.963 3.963 3.963 . 0 0 "[ ]" 1
531 1 26 HIS HE1 1 30 PRO HB2 . . 5.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
532 1 26 HIS HE1 1 30 PRO HB3 . . 4.660 4.003 4.003 4.003 . 0 0 "[ ]" 1
533 1 26 HIS HE1 1 31 ASN H . . 3.450 2.768 2.768 2.768 . 0 0 "[ ]" 1
534 1 26 HIS HE1 1 31 ASN HA . . 5.500 5.406 5.406 5.406 . 0 0 "[ ]" 1
535 1 26 HIS HE1 1 31 ASN HB2 . . 4.380 4.320 4.320 4.320 . 0 0 "[ ]" 1
536 1 26 HIS HE1 1 31 ASN HB3 . . 3.640 3.442 3.442 3.442 . 0 0 "[ ]" 1
537 1 26 HIS HE1 1 43 ALA MB . . 3.430 2.864 2.864 2.864 . 0 0 "[ ]" 1
538 1 26 HIS HE1 1 46 PHE HB2 . . 4.880 5.094 5.094 5.094 0.214 1 0 "[ ]" 1
539 1 27 LYS H 1 27 LYS HB2 . . 3.520 2.321 2.321 2.321 . 0 0 "[ ]" 1
540 1 27 LYS H 1 27 LYS HB3 . . 3.520 3.601 3.601 3.601 0.081 1 0 "[ ]" 1
541 1 27 LYS H 1 27 LYS HG3 . . 5.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
542 1 27 LYS H 1 28 THR H . . 5.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
543 1 27 LYS H 1 30 PRO HA . . 5.500 3.750 3.750 3.750 . 0 0 "[ ]" 1
544 1 27 LYS HA 1 27 LYS HB2 . . 2.800 3.020 3.020 3.020 0.220 1 0 "[ ]" 1
545 1 27 LYS HA 1 27 LYS HD2 . . 5.500 4.559 4.559 4.559 . 0 0 "[ ]" 1
546 1 27 LYS HA 1 27 LYS HG3 . . 2.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
547 1 27 LYS HB2 1 27 LYS HD2 . . 3.860 2.404 2.404 2.404 . 0 0 "[ ]" 1
548 1 27 LYS HB2 1 27 LYS HG3 . . 3.050 2.677 2.677 2.677 . 0 0 "[ ]" 1
549 1 27 LYS HB2 1 28 THR H . . 4.110 2.800 2.800 2.800 . 0 0 "[ ]" 1
550 1 28 THR H 1 28 THR HB . . 3.670 2.510 2.510 2.510 . 0 0 "[ ]" 1
551 1 28 THR HA 1 28 THR MG . . 3.520 2.403 2.403 2.403 . 0 0 "[ ]" 1
552 1 30 PRO HA 1 31 ASN H . . 3.140 2.369 2.369 2.369 . 0 0 "[ ]" 1
553 1 30 PRO HA 1 31 ASN HB2 . . 4.690 4.580 4.580 4.580 . 0 0 "[ ]" 1
554 1 30 PRO HA 1 31 ASN HB3 . . 5.500 4.945 4.945 4.945 . 0 0 "[ ]" 1
555 1 30 PRO HA 1 46 PHE HB2 . . 5.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
556 1 30 PRO HA 1 46 PHE HB3 . . 4.660 4.090 4.090 4.090 . 0 0 "[ ]" 1
557 1 30 PRO HB2 1 31 ASN H . . 4.850 2.836 2.836 2.836 . 0 0 "[ ]" 1
558 1 30 PRO HB2 1 43 ALA MB . . 3.950 2.059 2.059 2.059 . 0 0 "[ ]" 1
559 1 30 PRO HB2 1 46 PHE HB2 . . 4.450 3.905 3.905 3.905 . 0 0 "[ ]" 1
560 1 30 PRO HB2 1 46 PHE HB3 . . 5.280 3.824 3.824 3.824 . 0 0 "[ ]" 1
561 1 30 PRO HB3 1 31 ASN H . . 4.540 3.694 3.694 3.694 . 0 0 "[ ]" 1
562 1 30 PRO HB3 1 43 ALA MB . . 3.430 3.119 3.119 3.119 . 0 0 "[ ]" 1
563 1 30 PRO HB3 1 46 PHE HB2 . . 4.350 2.221 2.221 2.221 . 0 0 "[ ]" 1
564 1 30 PRO HB3 1 46 PHE HB3 . . 3.300 2.213 2.213 2.213 . 0 0 "[ ]" 1
565 1 31 ASN H 1 31 ASN HB2 . . 3.210 2.582 2.582 2.582 . 0 0 "[ ]" 1
566 1 31 ASN H 1 31 ASN HB3 . . 3.050 2.582 2.582 2.582 . 0 0 "[ ]" 1
567 1 31 ASN H 1 32 LEU H . . 5.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
568 1 31 ASN H 1 43 ALA MB . . 5.630 3.502 3.502 3.502 . 0 0 "[ ]" 1
569 1 31 ASN HA 1 31 ASN HB2 . . 2.990 2.433 2.433 2.433 . 0 0 "[ ]" 1
570 1 31 ASN HA 1 32 LEU H . . 2.650 2.186 2.186 2.186 . 0 0 "[ ]" 1
571 1 31 ASN HA 1 32 LEU HB2 . . 5.310 4.473 4.473 4.473 . 0 0 "[ ]" 1
572 1 31 ASN HA 1 33 HIS H . . 4.790 3.971 3.971 3.971 . 0 0 "[ ]" 1
573 1 31 ASN HB2 1 32 LEU H . . 4.260 4.281 4.281 4.281 0.021 1 0 "[ ]" 1
574 1 31 ASN HB3 1 32 LEU H . . 5.380 4.183 4.183 4.183 . 0 0 "[ ]" 1
575 1 31 ASN QD 1 32 LEU H . . 6.370 4.549 4.549 4.549 . 0 0 "[ ]" 1
576 1 32 LEU H 1 32 LEU HB2 . . 3.170 2.317 2.317 2.317 . 0 0 "[ ]" 1
577 1 32 LEU H 1 32 LEU HB3 . . 3.920 3.535 3.535 3.535 . 0 0 "[ ]" 1
578 1 32 LEU H 1 32 LEU HG . . 3.790 2.253 2.253 2.253 . 0 0 "[ ]" 1
579 1 32 LEU H 1 33 HIS H . . 3.520 2.571 2.571 2.571 . 0 0 "[ ]" 1
580 1 32 LEU HA 1 32 LEU HB2 . . 3.110 3.047 3.047 3.047 . 0 0 "[ ]" 1
581 1 32 LEU HA 1 32 LEU HB3 . . 3.050 2.512 2.512 2.512 . 0 0 "[ ]" 1
582 1 32 LEU HA 1 32 LEU MD2 . . 4.260 2.130 2.130 2.130 . 0 0 "[ ]" 1
583 1 32 LEU HA 1 33 HIS H . . 3.670 3.582 3.582 3.582 . 0 0 "[ ]" 1
584 1 32 LEU HA 1 35 LEU MD1 . . 6.430 3.394 3.394 3.394 . 0 0 "[ ]" 1
585 1 32 LEU HA 1 35 LEU MD2 . . 6.530 4.204 4.204 4.204 . 0 0 "[ ]" 1
586 1 32 LEU HA 1 43 ALA MB . . 4.480 3.551 3.551 3.551 . 0 0 "[ ]" 1
587 1 32 LEU HB2 1 35 LEU MD1 . . 6.530 5.032 5.032 5.032 . 0 0 "[ ]" 1
588 1 32 LEU HB2 1 35 LEU MD2 . . 6.530 4.313 4.313 4.313 . 0 0 "[ ]" 1
589 1 32 LEU MD1 1 98 LEU MD2 . . 6.320 2.658 2.658 2.658 . 0 0 "[ ]" 1
590 1 33 HIS H 1 33 HIS HA . . 3.140 2.471 2.471 2.471 . 0 0 "[ ]" 1
591 1 33 HIS H 1 33 HIS QB . . 2.930 2.387 2.387 2.387 . 0 0 "[ ]" 1
592 1 33 HIS H 1 34 GLY H . . 5.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
593 1 33 HIS H 1 102 THR MG . . 6.530 3.909 3.909 3.909 . 0 0 "[ ]" 1
594 1 33 HIS HA 1 34 GLY H . . 2.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
595 1 33 HIS HA 1 102 THR MG . . 5.040 3.716 3.716 3.716 . 0 0 "[ ]" 1
596 1 33 HIS QB 1 34 GLY H . . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
597 1 33 HIS HD2 1 102 THR HA . . 5.380 5.243 5.243 5.243 . 0 0 "[ ]" 1
598 1 34 GLY H 1 34 GLY HA3 . . 3.020 2.892 2.892 2.892 . 0 0 "[ ]" 1
599 1 34 GLY H 1 35 LEU H . . 3.330 2.762 2.762 2.762 . 0 0 "[ ]" 1
600 1 34 GLY H 1 35 LEU HB2 . . 5.500 4.822 4.822 4.822 . 0 0 "[ ]" 1
601 1 34 GLY H 1 102 THR HA . . 3.980 3.085 3.085 3.085 . 0 0 "[ ]" 1
602 1 34 GLY H 1 102 THR HB . . 3.300 2.203 2.203 2.203 . 0 0 "[ ]" 1
603 1 34 GLY HA2 1 35 LEU H . . 4.110 2.602 2.602 2.602 . 0 0 "[ ]" 1
604 1 34 GLY HA3 1 35 LEU H . . 4.350 3.609 3.609 3.609 . 0 0 "[ ]" 1
605 1 35 LEU H 1 35 LEU HB2 . . 2.770 2.704 2.704 2.704 . 0 0 "[ ]" 1
606 1 35 LEU H 1 35 LEU HB3 . . 2.860 2.256 2.256 2.256 . 0 0 "[ ]" 1
607 1 35 LEU H 1 35 LEU MD1 . . 5.190 4.301 4.301 4.301 . 0 0 "[ ]" 1
608 1 35 LEU H 1 35 LEU MD2 . . 5.540 4.109 4.109 4.109 . 0 0 "[ ]" 1
609 1 35 LEU H 1 35 LEU HG . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
610 1 35 LEU H 1 36 PHE H . . 3.920 2.753 2.753 2.753 . 0 0 "[ ]" 1
611 1 35 LEU H 1 102 THR HB . . 3.020 2.426 2.426 2.426 . 0 0 "[ ]" 1
612 1 35 LEU H 1 102 THR MG . . 5.570 2.586 2.586 2.586 . 0 0 "[ ]" 1
613 1 35 LEU HA 1 35 LEU HB2 . . 2.860 2.370 2.370 2.370 . 0 0 "[ ]" 1
614 1 35 LEU HA 1 35 LEU HB3 . . 3.140 3.029 3.029 3.029 . 0 0 "[ ]" 1
615 1 35 LEU HA 1 35 LEU MD1 . . 3.430 2.352 2.352 2.352 . 0 0 "[ ]" 1
616 1 35 LEU HA 1 35 LEU HG . . 4.140 3.285 3.285 3.285 . 0 0 "[ ]" 1
617 1 35 LEU HA 1 36 PHE H . . 4.040 3.621 3.621 3.621 . 0 0 "[ ]" 1
618 1 35 LEU HA 1 36 PHE QD . . 7.620 5.078 5.078 5.078 . 0 0 "[ ]" 1
619 1 35 LEU HA 1 38 ARG HE . . 5.500 3.511 3.511 3.511 . 0 0 "[ ]" 1
620 1 35 LEU HA 1 59 TRP HD1 . . 5.500 4.832 4.832 4.832 . 0 0 "[ ]" 1
621 1 35 LEU HB2 1 36 PHE QD . . 7.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
622 1 35 LEU HB3 1 35 LEU MD2 . . 3.430 2.228 2.228 2.228 . 0 0 "[ ]" 1
623 1 35 LEU HB3 1 35 LEU HG . . 3.140 2.553 2.553 2.553 . 0 0 "[ ]" 1
624 1 35 LEU HB3 1 36 PHE H . . 3.330 2.292 2.292 2.292 . 0 0 "[ ]" 1
625 1 35 LEU HB3 1 36 PHE QD . . 6.040 3.609 3.609 3.609 . 0 0 "[ ]" 1
626 1 35 LEU HB3 1 36 PHE QE . . 7.530 4.268 4.268 4.268 . 0 0 "[ ]" 1
627 1 35 LEU MD1 1 36 PHE H . . 6.530 4.206 4.206 4.206 . 0 0 "[ ]" 1
628 1 35 LEU MD1 1 36 PHE QD . . 8.650 3.907 3.907 3.907 . 0 0 "[ ]" 1
629 1 35 LEU MD1 1 36 PHE QE . . 7.840 4.483 4.483 4.483 . 0 0 "[ ]" 1
630 1 35 LEU MD1 1 38 ARG QB . . 5.070 3.147 3.147 3.147 . 0 0 "[ ]" 1
631 1 35 LEU MD1 1 38 ARG HE . . 6.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
632 1 35 LEU MD1 1 59 TRP HB2 . . 4.730 3.198 3.198 3.198 . 0 0 "[ ]" 1
633 1 35 LEU MD1 1 59 TRP HB3 . . 4.700 3.569 3.569 3.569 . 0 0 "[ ]" 1
634 1 35 LEU MD1 1 59 TRP HD1 . . 3.770 2.615 2.615 2.615 . 0 0 "[ ]" 1
635 1 35 LEU MD1 1 59 TRP HE1 . . 5.190 3.268 3.268 3.268 . 0 0 "[ ]" 1
636 1 35 LEU MD1 1 59 TRP HZ2 . . 6.530 4.900 4.900 4.900 . 0 0 "[ ]" 1
637 1 35 LEU MD2 1 36 PHE H . . 6.530 3.584 3.584 3.584 . 0 0 "[ ]" 1
638 1 35 LEU MD2 1 36 PHE QD . . 7.690 2.879 2.879 2.879 . 0 0 "[ ]" 1
639 1 35 LEU MD2 1 36 PHE QE . . 7.410 2.349 2.349 2.349 . 0 0 "[ ]" 1
640 1 35 LEU MD2 1 36 PHE HZ . . 6.470 3.931 3.931 3.931 . 0 0 "[ ]" 1
641 1 35 LEU MD2 1 59 TRP HB2 . . 6.530 4.135 4.135 4.135 . 0 0 "[ ]" 1
642 1 35 LEU MD2 1 59 TRP HB3 . . 5.750 3.623 3.623 3.623 . 0 0 "[ ]" 1
643 1 35 LEU MD2 1 59 TRP HD1 . . 6.120 4.723 4.723 4.723 . 0 0 "[ ]" 1
644 1 35 LEU MD2 1 59 TRP HE1 . . 6.530 5.237 5.237 5.237 . 0 0 "[ ]" 1
645 1 35 LEU MD2 1 64 LEU MD2 . . 6.350 2.107 2.107 2.107 . 0 0 "[ ]" 1
646 1 35 LEU MD2 1 98 LEU HB2 . . 4.760 4.300 4.300 4.300 . 0 0 "[ ]" 1
647 1 35 LEU MD2 1 98 LEU HB3 . . 5.100 3.612 3.612 3.612 . 0 0 "[ ]" 1
648 1 35 LEU MD2 1 98 LEU MD1 . . 6.380 2.866 2.866 2.866 . 0 0 "[ ]" 1
649 1 35 LEU MD2 1 98 LEU MD2 . . 7.560 3.866 3.866 3.866 . 0 0 "[ ]" 1
650 1 35 LEU MD2 1 102 THR HB . . 6.530 5.233 5.233 5.233 . 0 0 "[ ]" 1
651 1 35 LEU HG 1 36 PHE H . . 5.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
652 1 35 LEU HG 1 36 PHE HA . . 5.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
653 1 35 LEU HG 1 36 PHE QD . . 7.620 2.321 2.321 2.321 . 0 0 "[ ]" 1
654 1 35 LEU HG 1 38 ARG QB . . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 1
655 1 35 LEU HG 1 59 TRP HB2 . . 4.070 2.944 2.944 2.944 . 0 0 "[ ]" 1
656 1 35 LEU HG 1 59 TRP HB3 . . 3.950 3.198 3.198 3.198 . 0 0 "[ ]" 1
657 1 35 LEU HG 1 59 TRP HD1 . . 5.340 3.972 3.972 3.972 . 0 0 "[ ]" 1
658 1 35 LEU HG 1 59 TRP HE1 . . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
659 1 35 LEU HG 1 64 LEU MD1 . . 5.570 4.111 4.111 4.111 . 0 0 "[ ]" 1
660 1 35 LEU HG 1 64 LEU MD2 . . 5.750 3.750 3.750 3.750 . 0 0 "[ ]" 1
661 1 36 PHE H 1 36 PHE HB2 . . 2.990 2.517 2.517 2.517 . 0 0 "[ ]" 1
662 1 36 PHE H 1 36 PHE HB3 . . 3.480 3.519 3.519 3.519 0.039 1 0 "[ ]" 1
663 1 36 PHE H 1 36 PHE QD . . 5.640 2.918 2.918 2.918 . 0 0 "[ ]" 1
664 1 36 PHE H 1 37 GLY H . . 4.420 4.476 4.476 4.476 0.056 1 0 "[ ]" 1
665 1 36 PHE HA 1 37 GLY H . . 2.680 2.062 2.062 2.062 . 0 0 "[ ]" 1
666 1 36 PHE HA 1 37 GLY HA2 . . 5.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
667 1 36 PHE HA 1 59 TRP HB2 . . 5.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
668 1 36 PHE HB2 1 37 GLY H . . 5.500 4.206 4.206 4.206 . 0 0 "[ ]" 1
669 1 36 PHE HB3 1 37 GLY H . . 4.570 3.365 3.365 3.365 . 0 0 "[ ]" 1
670 1 36 PHE QD 1 37 GLY H . . 7.620 4.059 4.059 4.059 . 0 0 "[ ]" 1
671 1 36 PHE QD 1 60 LYS HA . . 6.230 4.024 4.024 4.024 . 0 0 "[ ]" 1
672 1 36 PHE QD 1 60 LYS HB2 . . 7.620 6.025 6.025 6.025 . 0 0 "[ ]" 1
673 1 36 PHE QD 1 60 LYS HB3 . . 7.620 5.963 5.963 5.963 . 0 0 "[ ]" 1
674 1 36 PHE QD 1 61 GLU H . . 7.620 5.899 5.899 5.899 . 0 0 "[ ]" 1
675 1 36 PHE QD 1 61 GLU HA . . 7.620 5.155 5.155 5.155 . 0 0 "[ ]" 1
676 1 36 PHE QD 1 61 GLU HB3 . . 7.620 5.149 5.149 5.149 . 0 0 "[ ]" 1
677 1 36 PHE QD 1 64 LEU MD1 . . 8.650 2.848 2.848 2.848 . 0 0 "[ ]" 1
678 1 36 PHE QD 1 95 ILE MG . . 8.650 4.526 4.526 4.526 . 0 0 "[ ]" 1
679 1 36 PHE QD 1 99 LYS HA . . 7.250 2.363 2.363 2.363 . 0 0 "[ ]" 1
680 1 36 PHE QD 1 99 LYS QD . . 8.500 4.359 4.359 4.359 . 0 0 "[ ]" 1
681 1 36 PHE QD 1 99 LYS QG . . 7.620 2.267 2.267 2.267 . 0 0 "[ ]" 1
682 1 36 PHE QE 1 60 LYS HA . . 7.620 5.254 5.254 5.254 . 0 0 "[ ]" 1
683 1 36 PHE QE 1 61 GLU H . . 7.620 6.008 6.008 6.008 . 0 0 "[ ]" 1
684 1 36 PHE QE 1 61 GLU HA . . 7.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
685 1 36 PHE QE 1 61 GLU HB2 . . 7.620 5.652 5.652 5.652 . 0 0 "[ ]" 1
686 1 36 PHE QE 1 61 GLU HB3 . . 6.970 4.461 4.461 4.461 . 0 0 "[ ]" 1
687 1 36 PHE QE 1 61 GLU QG . . 8.500 5.935 5.935 5.935 . 0 0 "[ ]" 1
688 1 36 PHE QE 1 64 LEU MD1 . . 6.980 2.140 2.140 2.140 . 0 0 "[ ]" 1
689 1 36 PHE QE 1 64 LEU MD2 . . 8.650 2.176 2.176 2.176 . 0 0 "[ ]" 1
690 1 36 PHE QE 1 95 ILE HA . . 7.620 3.944 3.944 3.944 . 0 0 "[ ]" 1
691 1 36 PHE QE 1 95 ILE MD . . 8.650 5.015 5.015 5.015 . 0 0 "[ ]" 1
692 1 36 PHE QE 1 95 ILE MG . . 5.950 3.061 3.061 3.061 . 0 0 "[ ]" 1
693 1 36 PHE QE 1 98 LEU H . . 7.620 4.709 4.709 4.709 . 0 0 "[ ]" 1
694 1 36 PHE QE 1 98 LEU HA . . 7.620 4.920 4.920 4.920 . 0 0 "[ ]" 1
695 1 36 PHE QE 1 98 LEU HB2 . . 6.320 2.863 2.863 2.863 . 0 0 "[ ]" 1
696 1 36 PHE QE 1 98 LEU HB3 . . 6.070 3.684 3.684 3.684 . 0 0 "[ ]" 1
697 1 36 PHE QE 1 98 LEU MD2 . . 8.650 4.779 4.779 4.779 . 0 0 "[ ]" 1
698 1 36 PHE QE 1 98 LEU HG . . 7.620 4.921 4.921 4.921 . 0 0 "[ ]" 1
699 1 36 PHE QE 1 99 LYS H . . 7.620 2.482 2.482 2.482 . 0 0 "[ ]" 1
700 1 36 PHE QE 1 99 LYS HA . . 6.320 2.350 2.350 2.350 . 0 0 "[ ]" 1
701 1 36 PHE QE 1 99 LYS QB . . 8.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
702 1 36 PHE QE 1 99 LYS QD . . 8.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
703 1 36 PHE QE 1 99 LYS QG . . 6.820 2.075 2.075 2.075 . 0 0 "[ ]" 1
704 1 36 PHE HZ 1 61 GLU HA . . 5.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
705 1 36 PHE HZ 1 61 GLU HB3 . . 5.500 4.671 4.671 4.671 . 0 0 "[ ]" 1
706 1 36 PHE HZ 1 64 LEU HB2 . . 5.500 4.800 4.800 4.800 . 0 0 "[ ]" 1
707 1 36 PHE HZ 1 64 LEU MD1 . . 4.050 3.023 3.023 3.023 . 0 0 "[ ]" 1
708 1 36 PHE HZ 1 64 LEU MD2 . . 5.100 3.474 3.474 3.474 . 0 0 "[ ]" 1
709 1 36 PHE HZ 1 95 ILE HA . . 4.350 2.801 2.801 2.801 . 0 0 "[ ]" 1
710 1 36 PHE HZ 1 95 ILE MD . . 6.530 4.700 4.700 4.700 . 0 0 "[ ]" 1
711 1 36 PHE HZ 1 95 ILE HG12 . . 5.500 3.364 3.364 3.364 . 0 0 "[ ]" 1
712 1 36 PHE HZ 1 95 ILE MG . . 3.430 2.301 2.301 2.301 . 0 0 "[ ]" 1
713 1 36 PHE HZ 1 98 LEU HB2 . . 4.040 2.242 2.242 2.242 . 0 0 "[ ]" 1
714 1 36 PHE HZ 1 98 LEU HB3 . . 3.420 3.436 3.436 3.436 0.016 1 0 "[ ]" 1
715 1 36 PHE HZ 1 98 LEU MD1 . . 5.350 2.516 2.516 2.516 . 0 0 "[ ]" 1
716 1 36 PHE HZ 1 99 LYS H . . 4.820 3.750 3.750 3.750 . 0 0 "[ ]" 1
717 1 36 PHE HZ 1 99 LYS HA . . 5.160 4.535 4.535 4.535 . 0 0 "[ ]" 1
718 1 36 PHE HZ 1 99 LYS QB . . 6.380 4.591 4.591 4.591 . 0 0 "[ ]" 1
719 1 36 PHE HZ 1 99 LYS QD . . 6.380 5.645 5.645 5.645 . 0 0 "[ ]" 1
720 1 36 PHE HZ 1 99 LYS QG . . 3.980 4.052 4.052 4.052 0.072 1 0 "[ ]" 1
721 1 37 GLY H 1 38 ARG H . . 2.400 2.451 2.451 2.451 0.051 1 0 "[ ]" 1
722 1 37 GLY H 1 38 ARG QB . . 5.500 4.612 4.612 4.612 . 0 0 "[ ]" 1
723 1 37 GLY H 1 58 THR MG . . 4.880 2.918 2.918 2.918 . 0 0 "[ ]" 1
724 1 37 GLY H 1 59 TRP H . . 5.250 3.421 3.421 3.421 . 0 0 "[ ]" 1
725 1 37 GLY H 1 59 TRP HB2 . . 5.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
726 1 37 GLY H 1 59 TRP HB3 . . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
727 1 37 GLY HA2 1 38 ARG H . . 3.790 3.498 3.498 3.498 . 0 0 "[ ]" 1
728 1 37 GLY HA2 1 58 THR MG . . 4.050 2.513 2.513 2.513 . 0 0 "[ ]" 1
729 1 37 GLY HA3 1 38 ARG H . . 3.480 3.268 3.268 3.268 . 0 0 "[ ]" 1
730 1 37 GLY HA3 1 58 THR MG . . 4.820 3.758 3.758 3.758 . 0 0 "[ ]" 1
731 1 38 ARG H 1 38 ARG QB . . 2.960 2.445 2.445 2.445 . 0 0 "[ ]" 1
732 1 38 ARG H 1 58 THR MG . . 5.100 3.485 3.485 3.485 . 0 0 "[ ]" 1
733 1 38 ARG H 1 59 TRP H . . 3.640 3.680 3.680 3.680 0.040 1 0 "[ ]" 1
734 1 38 ARG H 1 59 TRP HD1 . . 5.500 4.096 4.096 4.096 . 0 0 "[ ]" 1
735 1 38 ARG HA 1 39 LYS H . . 2.680 2.345 2.345 2.345 . 0 0 "[ ]" 1
736 1 38 ARG HA 1 58 THR MG . . 6.220 3.302 3.302 3.302 . 0 0 "[ ]" 1
737 1 38 ARG QB 1 38 ARG HE . . 3.980 2.066 2.066 2.066 . 0 0 "[ ]" 1
738 1 38 ARG QB 1 39 LYS H . . 3.330 2.284 2.284 2.284 . 0 0 "[ ]" 1
739 1 38 ARG QB 1 42 GLN HB2 . . 2.800 2.512 2.512 2.512 . 0 0 "[ ]" 1
740 1 38 ARG QB 1 59 TRP HD1 . . 3.980 3.382 3.382 3.382 . 0 0 "[ ]" 1
741 1 38 ARG HE 1 59 TRP HD1 . . 5.500 5.079 5.079 5.079 . 0 0 "[ ]" 1
742 1 38 ARG QG 1 39 LYS H . . 4.540 3.892 3.892 3.892 . 0 0 "[ ]" 1
743 1 38 ARG QG 1 42 GLN QE . . 5.500 5.727 5.727 5.727 0.227 1 0 "[ ]" 1
744 1 38 ARG QG 1 59 TRP HD1 . . 4.970 5.274 5.274 5.274 0.304 1 0 "[ ]" 1
745 1 39 LYS H 1 39 LYS QB . . 2.930 2.496 2.496 2.496 . 0 0 "[ ]" 1
746 1 39 LYS H 1 39 LYS HG2 . . 3.420 3.472 3.472 3.472 0.052 1 0 "[ ]" 1
747 1 39 LYS H 1 39 LYS HG3 . . 4.170 2.499 2.499 2.499 . 0 0 "[ ]" 1
748 1 39 LYS H 1 40 THR H . . 5.500 4.514 4.514 4.514 . 0 0 "[ ]" 1
749 1 39 LYS H 1 42 GLN HB2 . . 4.690 3.709 3.709 3.709 . 0 0 "[ ]" 1
750 1 39 LYS H 1 42 GLN HG2 . . 4.720 2.864 2.864 2.864 . 0 0 "[ ]" 1
751 1 39 LYS H 1 42 GLN HG3 . . 4.820 1.987 1.987 1.987 . 0 0 "[ ]" 1
752 1 39 LYS H 1 58 THR HA . . 4.660 4.238 4.238 4.238 . 0 0 "[ ]" 1
753 1 39 LYS H 1 58 THR MG . . 5.500 4.018 4.018 4.018 . 0 0 "[ ]" 1
754 1 39 LYS HA 1 40 THR H . . 3.270 2.357 2.357 2.357 . 0 0 "[ ]" 1
755 1 39 LYS HA 1 58 THR HA . . 3.360 2.100 2.100 2.100 . 0 0 "[ ]" 1
756 1 39 LYS QB 1 39 LYS HG2 . . 2.400 2.425 2.425 2.425 0.025 1 0 "[ ]" 1
757 1 39 LYS QB 1 40 THR H . . 3.300 2.193 2.193 2.193 . 0 0 "[ ]" 1
758 1 39 LYS QB 1 40 THR HA . . 4.540 4.399 4.399 4.399 . 0 0 "[ ]" 1
759 1 39 LYS QB 1 42 GLN QE . . 5.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
760 1 39 LYS QB 1 56 GLY HA2 . . 5.280 3.485 3.485 3.485 . 0 0 "[ ]" 1
761 1 39 LYS HG2 1 40 THR H . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
762 1 40 THR H 1 40 THR MG . . 3.640 2.196 2.196 2.196 . 0 0 "[ ]" 1
763 1 40 THR H 1 55 LYS HB3 . . 5.500 5.337 5.337 5.337 . 0 0 "[ ]" 1
764 1 40 THR H 1 56 GLY HA2 . . 4.540 3.924 3.924 3.924 . 0 0 "[ ]" 1
765 1 40 THR H 1 57 ILE HG13 . . 5.160 3.795 3.795 3.795 . 0 0 "[ ]" 1
766 1 40 THR HA 1 40 THR MG . . 3.610 2.330 2.330 2.330 . 0 0 "[ ]" 1
767 1 40 THR HA 1 41 GLY H . . 2.990 2.221 2.221 2.221 . 0 0 "[ ]" 1
768 1 40 THR HA 1 59 TRP HD1 . . 4.690 4.075 4.075 4.075 . 0 0 "[ ]" 1
769 1 40 THR HA 1 59 TRP HE1 . . 3.050 2.053 2.053 2.053 . 0 0 "[ ]" 1
770 1 40 THR HB 1 41 GLY H . . 3.730 3.751 3.751 3.751 0.021 1 0 "[ ]" 1
771 1 40 THR HB 1 55 LYS H . . 5.470 5.166 5.166 5.166 . 0 0 "[ ]" 1
772 1 40 THR HB 1 59 TRP HE1 . . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
773 1 40 THR HB 1 59 TRP HZ2 . . 5.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
774 1 40 THR MG 1 41 GLY H . . 6.530 4.119 4.119 4.119 . 0 0 "[ ]" 1
775 1 40 THR MG 1 52 ASN HD22 . . 6.530 3.838 3.838 3.838 . 0 0 "[ ]" 1
776 1 40 THR MG 1 55 LYS H . . 6.530 4.631 4.631 4.631 . 0 0 "[ ]" 1
777 1 40 THR MG 1 55 LYS HB2 . . 4.260 3.634 3.634 3.634 . 0 0 "[ ]" 1
778 1 40 THR MG 1 55 LYS HB3 . . 4.360 2.154 2.154 2.154 . 0 0 "[ ]" 1
779 1 40 THR MG 1 55 LYS HD2 . . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
780 1 40 THR MG 1 55 LYS HD3 . . 4.300 3.609 3.609 3.609 . 0 0 "[ ]" 1
781 1 40 THR MG 1 56 GLY H . . 5.570 2.991 2.991 2.991 . 0 0 "[ ]" 1
782 1 40 THR MG 1 56 GLY HA2 . . 6.280 3.885 3.885 3.885 . 0 0 "[ ]" 1
783 1 40 THR MG 1 57 ILE HA . . 6.530 4.645 4.645 4.645 . 0 0 "[ ]" 1
784 1 40 THR MG 1 57 ILE MD . . 6.040 3.224 3.224 3.224 . 0 0 "[ ]" 1
785 1 40 THR MG 1 59 TRP HE1 . . 4.110 3.034 3.034 3.034 . 0 0 "[ ]" 1
786 1 40 THR MG 1 59 TRP HZ2 . . 3.770 2.273 2.273 2.273 . 0 0 "[ ]" 1
787 1 41 GLY H 1 43 ALA H . . 4.380 4.370 4.370 4.370 . 0 0 "[ ]" 1
788 1 41 GLY H 1 59 TRP HE1 . . 5.500 3.222 3.222 3.222 . 0 0 "[ ]" 1
789 1 41 GLY HA2 1 48 TYR QD . . 7.640 2.658 2.658 2.658 . 0 0 "[ ]" 1
790 1 41 GLY HA3 1 42 GLN H . . 4.170 3.585 3.585 3.585 . 0 0 "[ ]" 1
791 1 41 GLY HA3 1 48 TYR QD . . 7.640 3.184 3.184 3.184 . 0 0 "[ ]" 1
792 1 42 GLN H 1 42 GLN HB2 . . 4.010 2.346 2.346 2.346 . 0 0 "[ ]" 1
793 1 42 GLN H 1 42 GLN HB3 . . 3.330 3.618 3.618 3.618 0.288 1 0 "[ ]" 1
794 1 42 GLN H 1 42 GLN HG2 . . 4.790 3.019 3.019 3.019 . 0 0 "[ ]" 1
795 1 42 GLN H 1 42 GLN HG3 . . 4.200 4.063 4.063 4.063 . 0 0 "[ ]" 1
796 1 42 GLN H 1 43 ALA H . . 3.450 2.188 2.188 2.188 . 0 0 "[ ]" 1
797 1 42 GLN H 1 48 TYR QD . . 7.640 4.915 4.915 4.915 . 0 0 "[ ]" 1
798 1 42 GLN HA 1 42 GLN HB2 . . 3.050 3.035 3.035 3.035 . 0 0 "[ ]" 1
799 1 42 GLN HA 1 42 GLN QE . . 5.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
800 1 42 GLN HA 1 43 ALA H . . 4.170 3.574 3.574 3.574 . 0 0 "[ ]" 1
801 1 42 GLN HB2 1 43 ALA H . . 5.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
802 1 42 GLN HG2 1 43 ALA H . . 5.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
803 1 42 GLN HG3 1 43 ALA H . . 5.500 5.184 5.184 5.184 . 0 0 "[ ]" 1
804 1 43 ALA H 1 43 ALA MB . . 3.520 2.198 2.198 2.198 . 0 0 "[ ]" 1
805 1 43 ALA H 1 44 PRO HD2 . . 5.500 4.977 4.977 4.977 . 0 0 "[ ]" 1
806 1 43 ALA H 1 44 PRO HD3 . . 5.500 4.632 4.632 4.632 . 0 0 "[ ]" 1
807 1 43 ALA H 1 48 TYR QD . . 7.640 5.116 5.116 5.116 . 0 0 "[ ]" 1
808 1 43 ALA HA 1 44 PRO HD2 . . 3.450 2.289 2.289 2.289 . 0 0 "[ ]" 1
809 1 43 ALA HA 1 44 PRO HD3 . . 3.640 2.481 2.481 2.481 . 0 0 "[ ]" 1
810 1 43 ALA HA 1 44 PRO HG2 . . 5.340 4.488 4.488 4.488 . 0 0 "[ ]" 1
811 1 43 ALA HA 1 44 PRO HG3 . . 5.500 4.599 4.599 4.599 . 0 0 "[ ]" 1
812 1 43 ALA MB 1 44 PRO HD3 . . 5.810 4.007 4.007 4.007 . 0 0 "[ ]" 1
813 1 43 ALA MB 1 46 PHE H . . 6.160 4.202 4.202 4.202 . 0 0 "[ ]" 1
814 1 43 ALA MB 1 48 TYR QD . . 8.360 4.770 4.770 4.770 . 0 0 "[ ]" 1
815 1 44 PRO HA 1 45 GLY H . . 5.380 2.172 2.172 2.172 . 0 0 "[ ]" 1
816 1 44 PRO HA 1 45 GLY HA3 . . 5.500 4.516 4.516 4.516 . 0 0 "[ ]" 1
817 1 46 PHE H 1 46 PHE HB2 . . 3.270 2.485 2.485 2.485 . 0 0 "[ ]" 1
818 1 46 PHE H 1 46 PHE HB3 . . 3.080 2.674 2.674 2.674 . 0 0 "[ ]" 1
819 1 46 PHE HA 1 47 THR H . . 3.020 2.359 2.359 2.359 . 0 0 "[ ]" 1
820 1 46 PHE HB2 1 47 THR H . . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
821 1 46 PHE HB2 1 48 TYR QD . . 7.640 5.679 5.679 5.679 . 0 0 "[ ]" 1
822 1 46 PHE HB3 1 47 THR H . . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
823 1 46 PHE HB3 1 48 TYR QD . . 7.640 3.973 3.973 3.973 . 0 0 "[ ]" 1
824 1 46 PHE HB3 1 48 TYR QE . . 6.730 3.618 3.618 3.618 . 0 0 "[ ]" 1
825 1 46 PHE QD 1 48 TYR H . . 7.530 4.263 4.263 4.263 . 0 0 "[ ]" 1
826 1 47 THR H 1 47 THR HB . . 3.580 2.538 2.538 2.538 . 0 0 "[ ]" 1
827 1 47 THR H 1 48 TYR QD . . 7.640 5.648 5.648 5.648 . 0 0 "[ ]" 1
828 1 47 THR HA 1 47 THR MG . . 3.610 2.339 2.339 2.339 . 0 0 "[ ]" 1
829 1 47 THR HA 1 48 TYR HB2 . . 5.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
830 1 47 THR HA 1 48 TYR QD . . 7.640 4.422 4.422 4.422 . 0 0 "[ ]" 1
831 1 47 THR HB 1 48 TYR H . . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
832 1 47 THR MG 1 48 TYR H . . 4.730 3.305 3.305 3.305 . 0 0 "[ ]" 1
833 1 47 THR MG 1 48 TYR HA . . 6.530 4.513 4.513 4.513 . 0 0 "[ ]" 1
834 1 47 THR MG 1 48 TYR QD . . 8.670 4.807 4.807 4.807 . 0 0 "[ ]" 1
835 1 48 TYR H 1 48 TYR HB2 . . 3.140 2.853 2.853 2.853 . 0 0 "[ ]" 1
836 1 48 TYR H 1 48 TYR HB3 . . 3.420 3.502 3.502 3.502 0.082 1 0 "[ ]" 1
837 1 48 TYR H 1 48 TYR QD . . 5.530 2.833 2.833 2.833 . 0 0 "[ ]" 1
838 1 48 TYR H 1 49 THR H . . 5.500 4.649 4.649 4.649 . 0 0 "[ ]" 1
839 1 48 TYR HA 1 49 THR H . . 2.960 2.562 2.562 2.562 . 0 0 "[ ]" 1
840 1 48 TYR HA 1 49 THR MG . . 4.640 3.446 3.446 3.446 . 0 0 "[ ]" 1
841 1 48 TYR HB2 1 49 THR H . . 4.540 3.088 3.088 3.088 . 0 0 "[ ]" 1
842 1 48 TYR HB2 1 52 ASN HB2 . . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
843 1 48 TYR HB2 1 52 ASN HB3 . . 5.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
844 1 48 TYR HB3 1 49 THR H . . 3.580 2.488 2.488 2.488 . 0 0 "[ ]" 1
845 1 48 TYR HB3 1 52 ASN HB2 . . 3.980 4.288 4.288 4.288 0.308 1 0 "[ ]" 1
846 1 48 TYR HB3 1 52 ASN HB3 . . 5.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
847 1 48 TYR QD 1 49 THR H . . 7.640 4.337 4.337 4.337 . 0 0 "[ ]" 1
848 1 48 TYR QD 1 52 ASN HB2 . . 7.140 5.832 5.832 5.832 . 0 0 "[ ]" 1
849 1 48 TYR QD 1 52 ASN HB3 . . 7.640 4.940 4.940 4.940 . 0 0 "[ ]" 1
850 1 48 TYR QD 1 52 ASN HD22 . . 7.640 4.528 4.528 4.528 . 0 0 "[ ]" 1
851 1 49 THR H 1 49 THR MG . . 3.990 2.667 2.667 2.667 . 0 0 "[ ]" 1
852 1 49 THR H 1 50 ASP H . . 5.500 4.523 4.523 4.523 . 0 0 "[ ]" 1
853 1 49 THR HA 1 49 THR MG . . 3.740 2.354 2.354 2.354 . 0 0 "[ ]" 1
854 1 49 THR HA 1 50 ASP H . . 2.960 2.306 2.306 2.306 . 0 0 "[ ]" 1
855 1 49 THR HA 1 50 ASP HB2 . . 5.500 4.761 4.761 4.761 . 0 0 "[ ]" 1
856 1 49 THR HA 1 50 ASP HB3 . . 5.500 4.818 4.818 4.818 . 0 0 "[ ]" 1
857 1 49 THR HA 1 51 ALA H . . 5.380 4.606 4.606 4.606 . 0 0 "[ ]" 1
858 1 49 THR HB 1 50 ASP H . . 3.330 2.753 2.753 2.753 . 0 0 "[ ]" 1
859 1 49 THR HB 1 51 ALA H . . 3.390 3.275 3.275 3.275 . 0 0 "[ ]" 1
860 1 49 THR HB 1 51 ALA MB . . 3.990 3.342 3.342 3.342 . 0 0 "[ ]" 1
861 1 49 THR MG 1 50 ASP H . . 4.950 3.846 3.846 3.846 . 0 0 "[ ]" 1
862 1 50 ASP H 1 50 ASP HB2 . . 3.550 2.556 2.556 2.556 . 0 0 "[ ]" 1
863 1 50 ASP H 1 50 ASP HB3 . . 3.890 2.566 2.566 2.566 . 0 0 "[ ]" 1
864 1 50 ASP H 1 51 ALA H . . 3.550 2.969 2.969 2.969 . 0 0 "[ ]" 1
865 1 50 ASP H 1 51 ALA MB . . 5.380 4.396 4.396 4.396 . 0 0 "[ ]" 1
866 1 50 ASP HA 1 51 ALA H . . 4.230 3.522 3.522 3.522 . 0 0 "[ ]" 1
867 1 50 ASP HA 1 53 LYS H . . 4.010 3.705 3.705 3.705 . 0 0 "[ ]" 1
868 1 50 ASP HA 1 53 LYS HB2 . . 3.390 3.482 3.482 3.482 0.092 1 0 "[ ]" 1
869 1 50 ASP HA 1 53 LYS HG3 . . 5.500 5.664 5.664 5.664 0.164 1 0 "[ ]" 1
870 1 50 ASP HA 1 54 ASN H . . 4.820 4.098 4.098 4.098 . 0 0 "[ ]" 1
871 1 50 ASP HB2 1 51 ALA H . . 3.700 3.601 3.601 3.601 . 0 0 "[ ]" 1
872 1 50 ASP HB2 1 51 ALA HA . . 5.470 5.524 5.524 5.524 0.054 1 0 "[ ]" 1
873 1 50 ASP HB3 1 51 ALA H . . 4.010 2.132 2.132 2.132 . 0 0 "[ ]" 1
874 1 50 ASP HB3 1 51 ALA HA . . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
875 1 50 ASP HB3 1 54 ASN HD21 . . 5.500 5.441 5.441 5.441 . 0 0 "[ ]" 1
876 1 51 ALA H 1 51 ALA MB . . 3.430 2.194 2.194 2.194 . 0 0 "[ ]" 1
877 1 51 ALA H 1 52 ASN H . . 3.980 3.136 3.136 3.136 . 0 0 "[ ]" 1
878 1 51 ALA H 1 54 ASN H . . 4.290 4.429 4.429 4.429 0.139 1 0 "[ ]" 1
879 1 51 ALA HA 1 52 ASN H . . 4.290 3.634 3.634 3.634 . 0 0 "[ ]" 1
880 1 51 ALA HA 1 53 LYS H . . 5.500 4.474 4.474 4.474 . 0 0 "[ ]" 1
881 1 51 ALA HA 1 54 ASN H . . 3.890 3.260 3.260 3.260 . 0 0 "[ ]" 1
882 1 51 ALA HA 1 54 ASN HB2 . . 4.040 2.700 2.700 2.700 . 0 0 "[ ]" 1
883 1 51 ALA HA 1 54 ASN HB3 . . 4.600 2.477 2.477 2.477 . 0 0 "[ ]" 1
884 1 51 ALA HA 1 55 LYS H . . 4.450 4.003 4.003 4.003 . 0 0 "[ ]" 1
885 1 51 ALA MB 1 52 ASN H . . 3.800 2.454 2.454 2.454 . 0 0 "[ ]" 1
886 1 51 ALA MB 1 53 LYS H . . 6.530 4.470 4.470 4.470 . 0 0 "[ ]" 1
887 1 51 ALA MB 1 54 ASN H . . 6.530 4.432 4.432 4.432 . 0 0 "[ ]" 1
888 1 51 ALA MB 1 75 ILE HA . . 5.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
889 1 51 ALA MB 1 76 PRO HD2 . . 3.990 3.508 3.508 3.508 . 0 0 "[ ]" 1
890 1 52 ASN H 1 52 ASN HB2 . . 3.300 2.358 2.358 2.358 . 0 0 "[ ]" 1
891 1 52 ASN H 1 52 ASN HB3 . . 3.210 2.740 2.740 2.740 . 0 0 "[ ]" 1
892 1 52 ASN H 1 53 LYS H . . 3.640 2.674 2.674 2.674 . 0 0 "[ ]" 1
893 1 52 ASN H 1 75 ILE MG . . 5.470 3.057 3.057 3.057 . 0 0 "[ ]" 1
894 1 52 ASN HA 1 53 LYS H . . 4.630 3.567 3.567 3.567 . 0 0 "[ ]" 1
895 1 52 ASN HA 1 55 LYS H . . 5.500 3.576 3.576 3.576 . 0 0 "[ ]" 1
896 1 52 ASN HA 1 75 ILE MG . . 4.230 2.399 2.399 2.399 . 0 0 "[ ]" 1
897 1 52 ASN HB2 1 53 LYS H . . 4.040 3.737 3.737 3.737 . 0 0 "[ ]" 1
898 1 52 ASN HB3 1 53 LYS H . . 3.700 2.600 2.600 2.600 . 0 0 "[ ]" 1
899 1 52 ASN HB3 1 53 LYS HA . . 4.850 4.195 4.195 4.195 . 0 0 "[ ]" 1
900 1 52 ASN HB3 1 53 LYS HB2 . . 5.500 3.975 3.975 3.975 . 0 0 "[ ]" 1
901 1 52 ASN HD21 1 59 TRP HZ2 . . 5.500 5.689 5.689 5.689 0.189 1 0 "[ ]" 1
902 1 52 ASN HD22 1 59 TRP HE1 . . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
903 1 53 LYS H 1 53 LYS HB2 . . 3.360 2.250 2.250 2.250 . 0 0 "[ ]" 1
904 1 53 LYS H 1 53 LYS HG3 . . 3.980 4.178 4.178 4.178 0.198 1 0 "[ ]" 1
905 1 53 LYS H 1 54 ASN H . . 3.550 2.607 2.607 2.607 . 0 0 "[ ]" 1
906 1 53 LYS HA 1 53 LYS HB2 . . 3.080 2.656 2.656 2.656 . 0 0 "[ ]" 1
907 1 53 LYS HA 1 54 ASN H . . 4.970 3.560 3.560 3.560 . 0 0 "[ ]" 1
908 1 53 LYS HB2 1 54 ASN H . . 3.450 3.727 3.727 3.727 0.277 1 0 "[ ]" 1
909 1 53 LYS HG3 1 54 ASN H . . 5.500 5.099 5.099 5.099 . 0 0 "[ ]" 1
910 1 54 ASN H 1 54 ASN HB2 . . 3.080 2.277 2.277 2.277 . 0 0 "[ ]" 1
911 1 54 ASN H 1 54 ASN HB3 . . 3.640 2.635 2.635 2.635 . 0 0 "[ ]" 1
912 1 54 ASN H 1 54 ASN HD21 . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
913 1 54 ASN H 1 55 LYS H . . 3.670 2.632 2.632 2.632 . 0 0 "[ ]" 1
914 1 54 ASN HA 1 54 ASN HB3 . . 3.110 3.054 3.054 3.054 . 0 0 "[ ]" 1
915 1 54 ASN HA 1 55 LYS H . . 4.070 3.539 3.539 3.539 . 0 0 "[ ]" 1
916 1 54 ASN HB2 1 55 LYS H . . 5.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
917 1 54 ASN HB3 1 55 LYS H . . 5.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
918 1 55 LYS H 1 55 LYS HB2 . . 3.520 2.035 2.035 2.035 . 0 0 "[ ]" 1
919 1 55 LYS H 1 55 LYS HB3 . . 3.270 3.015 3.015 3.015 . 0 0 "[ ]" 1
920 1 55 LYS H 1 55 LYS HD2 . . 5.470 5.199 5.199 5.199 . 0 0 "[ ]" 1
921 1 55 LYS H 1 55 LYS HD3 . . 5.500 4.920 4.920 4.920 . 0 0 "[ ]" 1
922 1 55 LYS H 1 56 GLY H . . 3.050 2.990 2.990 2.990 . 0 0 "[ ]" 1
923 1 55 LYS HA 1 55 LYS HB3 . . 3.080 3.002 3.002 3.002 . 0 0 "[ ]" 1
924 1 55 LYS HA 1 55 LYS HD2 . . 4.320 3.961 3.961 3.961 . 0 0 "[ ]" 1
925 1 55 LYS HA 1 55 LYS HD3 . . 4.260 2.850 2.850 2.850 . 0 0 "[ ]" 1
926 1 55 LYS HA 1 55 LYS HG2 . . 3.210 2.212 2.212 2.212 . 0 0 "[ ]" 1
927 1 55 LYS HA 1 56 GLY H . . 4.200 3.623 3.623 3.623 . 0 0 "[ ]" 1
928 1 55 LYS HA 1 56 GLY HA2 . . 4.940 5.377 5.377 5.377 0.437 1 0 "[ ]" 1
929 1 55 LYS HB2 1 56 GLY H . . 5.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
930 1 55 LYS HB2 1 75 ILE HA . . 5.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
931 1 55 LYS HB3 1 56 GLY H . . 5.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
932 1 55 LYS HB3 1 75 ILE HA . . 5.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
933 1 55 LYS HD3 1 75 ILE HA . . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
934 1 55 LYS QE 1 57 ILE HG13 . . 5.420 4.343 4.343 4.343 . 0 0 "[ ]" 1
935 1 55 LYS QE 1 74 TYR QE . . 8.510 3.135 3.135 3.135 . 0 0 "[ ]" 1
936 1 55 LYS HG2 1 75 ILE HA . . 5.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
937 1 55 LYS HG3 1 57 ILE H . . 5.500 5.248 5.248 5.248 . 0 0 "[ ]" 1
938 1 56 GLY H 1 56 GLY HA2 . . 3.140 2.290 2.290 2.290 . 0 0 "[ ]" 1
939 1 56 GLY H 1 57 ILE HG12 . . 5.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
940 1 56 GLY H 1 57 ILE HG13 . . 5.500 5.487 5.487 5.487 . 0 0 "[ ]" 1
941 1 56 GLY HA2 1 57 ILE H . . 3.950 3.196 3.196 3.196 . 0 0 "[ ]" 1
942 1 56 GLY HA2 1 57 ILE HG13 . . 5.500 5.622 5.622 5.622 0.122 1 0 "[ ]" 1
943 1 57 ILE H 1 57 ILE HB . . 4.260 3.676 3.676 3.676 . 0 0 "[ ]" 1
944 1 57 ILE H 1 57 ILE HG12 . . 4.540 2.065 2.065 2.065 . 0 0 "[ ]" 1
945 1 57 ILE H 1 57 ILE HG13 . . 3.110 2.829 2.829 2.829 . 0 0 "[ ]" 1
946 1 57 ILE HA 1 57 ILE HB . . 3.050 2.468 2.468 2.468 . 0 0 "[ ]" 1
947 1 57 ILE HA 1 57 ILE HG13 . . 4.170 3.690 3.690 3.690 . 0 0 "[ ]" 1
948 1 57 ILE HA 1 58 THR H . . 2.830 2.452 2.452 2.452 . 0 0 "[ ]" 1
949 1 57 ILE HB 1 58 THR H . . 2.770 2.246 2.246 2.246 . 0 0 "[ ]" 1
950 1 57 ILE HB 1 74 TYR QD . . 7.640 6.503 6.503 6.503 . 0 0 "[ ]" 1
951 1 57 ILE HB 1 74 TYR QE . . 7.630 5.206 5.206 5.206 . 0 0 "[ ]" 1
952 1 57 ILE MD 1 58 THR H . . 6.060 3.849 3.849 3.849 . 0 0 "[ ]" 1
953 1 57 ILE MD 1 59 TRP HE3 . . 6.120 3.729 3.729 3.729 . 0 0 "[ ]" 1
954 1 57 ILE MD 1 59 TRP HZ3 . . 6.530 3.618 3.618 3.618 . 0 0 "[ ]" 1
955 1 57 ILE MD 1 63 THR HB . . 4.260 2.557 2.557 2.557 . 0 0 "[ ]" 1
956 1 57 ILE MD 1 63 THR MG . . 6.560 2.082 2.082 2.082 . 0 0 "[ ]" 1
957 1 57 ILE MD 1 74 TYR QD . . 8.670 2.941 2.941 2.941 . 0 0 "[ ]" 1
958 1 57 ILE MD 1 74 TYR QE . . 6.860 2.168 2.168 2.168 . 0 0 "[ ]" 1
959 1 57 ILE HG12 1 58 THR H . . 5.500 4.671 4.671 4.671 . 0 0 "[ ]" 1
960 1 57 ILE HG12 1 74 TYR QE . . 6.580 4.574 4.574 4.574 . 0 0 "[ ]" 1
961 1 57 ILE HG13 1 58 THR H . . 3.700 3.624 3.624 3.624 . 0 0 "[ ]" 1
962 1 57 ILE HG13 1 63 THR HB . . 5.500 4.549 4.549 4.549 . 0 0 "[ ]" 1
963 1 57 ILE HG13 1 74 TYR QE . . 7.070 4.670 4.670 4.670 . 0 0 "[ ]" 1
964 1 58 THR H 1 58 THR HB . . 3.240 2.575 2.575 2.575 . 0 0 "[ ]" 1
965 1 58 THR HA 1 58 THR MG . . 3.430 2.295 2.295 2.295 . 0 0 "[ ]" 1
966 1 58 THR HA 1 59 TRP H . . 2.740 2.277 2.277 2.277 . 0 0 "[ ]" 1
967 1 58 THR HB 1 59 TRP H . . 4.010 4.019 4.019 4.019 0.009 1 0 "[ ]" 1
968 1 58 THR MG 1 59 TRP H . . 3.830 2.544 2.544 2.544 . 0 0 "[ ]" 1
969 1 59 TRP H 1 59 TRP HB2 . . 3.270 2.418 2.418 2.418 . 0 0 "[ ]" 1
970 1 59 TRP H 1 59 TRP HB3 . . 3.790 3.607 3.607 3.607 . 0 0 "[ ]" 1
971 1 59 TRP H 1 59 TRP HD1 . . 4.170 2.946 2.946 2.946 . 0 0 "[ ]" 1
972 1 59 TRP H 1 59 TRP HE3 . . 5.500 5.061 5.061 5.061 . 0 0 "[ ]" 1
973 1 59 TRP H 1 60 LYS H . . 4.720 4.567 4.567 4.567 . 0 0 "[ ]" 1
974 1 59 TRP HA 1 59 TRP HE3 . . 2.770 2.634 2.634 2.634 . 0 0 "[ ]" 1
975 1 59 TRP HA 1 60 LYS H . . 2.740 2.170 2.170 2.170 . 0 0 "[ ]" 1
976 1 59 TRP HA 1 63 THR MG . . 3.890 2.960 2.960 2.960 . 0 0 "[ ]" 1
977 1 59 TRP HB2 1 59 TRP HD1 . . 3.480 2.543 2.543 2.543 . 0 0 "[ ]" 1
978 1 59 TRP HB2 1 59 TRP HE1 . . 5.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
979 1 59 TRP HB2 1 60 LYS H . . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
980 1 59 TRP HB2 1 64 LEU MD1 . . 6.530 3.963 3.963 3.963 . 0 0 "[ ]" 1
981 1 59 TRP HB2 1 64 LEU MD2 . . 6.530 4.582 4.582 4.582 . 0 0 "[ ]" 1
982 1 59 TRP HB3 1 59 TRP HE1 . . 5.500 5.143 5.143 5.143 . 0 0 "[ ]" 1
983 1 59 TRP HB3 1 59 TRP HE3 . . 4.110 2.858 2.858 2.858 . 0 0 "[ ]" 1
984 1 59 TRP HB3 1 60 LYS H . . 4.110 3.159 3.159 3.159 . 0 0 "[ ]" 1
985 1 59 TRP HB3 1 64 LEU MD1 . . 5.630 2.448 2.448 2.448 . 0 0 "[ ]" 1
986 1 59 TRP HB3 1 64 LEU MD2 . . 5.780 3.308 3.308 3.308 . 0 0 "[ ]" 1
987 1 59 TRP HE3 1 60 LYS H . . 3.450 3.471 3.471 3.471 0.021 1 0 "[ ]" 1
988 1 59 TRP HE3 1 64 LEU HA . . 4.630 3.848 3.848 3.848 . 0 0 "[ ]" 1
989 1 59 TRP HE3 1 64 LEU MD1 . . 5.410 2.939 2.939 2.939 . 0 0 "[ ]" 1
990 1 59 TRP HE3 1 64 LEU MD2 . . 4.230 3.444 3.444 3.444 . 0 0 "[ ]" 1
991 1 59 TRP HE3 1 67 TYR HB2 . . 5.500 4.806 4.806 4.806 . 0 0 "[ ]" 1
992 1 59 TRP HE3 1 67 TYR HB3 . . 5.500 4.716 4.716 4.716 . 0 0 "[ ]" 1
993 1 59 TRP HH2 1 59 TRP HZ3 . . 2.400 2.506 2.506 2.506 0.106 1 0 "[ ]" 1
994 1 59 TRP HH2 1 67 TYR QD . . 7.640 3.157 3.157 3.157 . 0 0 "[ ]" 1
995 1 59 TRP HH2 1 74 TYR QD . . 7.080 3.066 3.066 3.066 . 0 0 "[ ]" 1
996 1 59 TRP HZ3 1 63 THR HB . . 4.070 2.974 2.974 2.974 . 0 0 "[ ]" 1
997 1 59 TRP HZ3 1 63 THR MG . . 6.530 4.534 4.534 4.534 . 0 0 "[ ]" 1
998 1 59 TRP HZ3 1 64 LEU H . . 5.500 4.419 4.419 4.419 . 0 0 "[ ]" 1
999 1 59 TRP HZ3 1 64 LEU HA . . 3.270 2.905 2.905 2.905 . 0 0 "[ ]" 1
1000 1 59 TRP HZ3 1 64 LEU MD1 . . 6.530 4.385 4.385 4.385 . 0 0 "[ ]" 1
1001 1 59 TRP HZ3 1 64 LEU MD2 . . 5.010 3.992 3.992 3.992 . 0 0 "[ ]" 1
1002 1 59 TRP HZ3 1 64 LEU HG . . 5.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
1003 1 59 TRP HZ3 1 67 TYR H . . 5.470 4.017 4.017 4.017 . 0 0 "[ ]" 1
1004 1 59 TRP HZ3 1 67 TYR HB2 . . 3.170 2.369 2.369 2.369 . 0 0 "[ ]" 1
1005 1 59 TRP HZ3 1 67 TYR HB3 . . 3.480 2.638 2.638 2.638 . 0 0 "[ ]" 1
1006 1 59 TRP HZ3 1 67 TYR QD . . 7.420 3.409 3.409 3.409 . 0 0 "[ ]" 1
1007 1 59 TRP HZ3 1 74 TYR QD . . 7.640 3.137 3.137 3.137 . 0 0 "[ ]" 1
1008 1 60 LYS H 1 60 LYS HB2 . . 4.140 3.708 3.708 3.708 . 0 0 "[ ]" 1
1009 1 60 LYS H 1 60 LYS HG2 . . 4.510 2.632 2.632 2.632 . 0 0 "[ ]" 1
1010 1 60 LYS H 1 60 LYS HG3 . . 4.850 2.530 2.530 2.530 . 0 0 "[ ]" 1
1011 1 60 LYS H 1 63 THR H . . 3.790 3.462 3.462 3.462 . 0 0 "[ ]" 1
1012 1 60 LYS H 1 64 LEU H . . 4.110 4.132 4.132 4.132 0.022 1 0 "[ ]" 1
1013 1 60 LYS H 1 64 LEU MD1 . . 6.530 2.810 2.810 2.810 . 0 0 "[ ]" 1
1014 1 60 LYS H 1 64 LEU MD2 . . 6.530 4.975 4.975 4.975 . 0 0 "[ ]" 1
1015 1 60 LYS HA 1 60 LYS HB3 . . 3.080 2.247 2.247 2.247 . 0 0 "[ ]" 1
1016 1 60 LYS HA 1 60 LYS HG2 . . 3.890 3.619 3.619 3.619 . 0 0 "[ ]" 1
1017 1 60 LYS HA 1 61 GLU H . . 4.420 3.462 3.462 3.462 . 0 0 "[ ]" 1
1018 1 60 LYS HA 1 62 GLU H . . 5.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
1019 1 60 LYS HA 1 64 LEU MD1 . . 6.530 3.936 3.936 3.936 . 0 0 "[ ]" 1
1020 1 60 LYS HB2 1 61 GLU H . . 5.440 2.108 2.108 2.108 . 0 0 "[ ]" 1
1021 1 60 LYS HB2 1 62 GLU H . . 4.420 3.469 3.469 3.469 . 0 0 "[ ]" 1
1022 1 60 LYS HB3 1 61 GLU H . . 4.040 3.444 3.444 3.444 . 0 0 "[ ]" 1
1023 1 60 LYS HB3 1 62 GLU H . . 4.910 5.020 5.020 5.020 0.110 1 0 "[ ]" 1
1024 1 60 LYS HG2 1 62 GLU H . . 5.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
1025 1 60 LYS HG2 1 63 THR H . . 4.230 3.918 3.918 3.918 . 0 0 "[ ]" 1
1026 1 60 LYS HG3 1 62 GLU H . . 3.790 3.179 3.179 3.179 . 0 0 "[ ]" 1
1027 1 60 LYS HG3 1 63 THR H . . 3.520 2.365 2.365 2.365 . 0 0 "[ ]" 1
1028 1 61 GLU H 1 61 GLU HB2 . . 4.040 3.877 3.877 3.877 . 0 0 "[ ]" 1
1029 1 61 GLU H 1 61 GLU HB3 . . 4.170 3.563 3.563 3.563 . 0 0 "[ ]" 1
1030 1 61 GLU H 1 62 GLU H . . 4.940 2.035 2.035 2.035 . 0 0 "[ ]" 1
1031 1 61 GLU HA 1 62 GLU H . . 4.480 3.569 3.569 3.569 . 0 0 "[ ]" 1
1032 1 61 GLU HA 1 62 GLU HA . . 5.160 4.954 4.954 4.954 . 0 0 "[ ]" 1
1033 1 61 GLU HA 1 64 LEU H . . 4.660 3.315 3.315 3.315 . 0 0 "[ ]" 1
1034 1 61 GLU HA 1 64 LEU HB2 . . 3.670 3.224 3.224 3.224 . 0 0 "[ ]" 1
1035 1 61 GLU HA 1 64 LEU HB3 . . 4.880 4.883 4.883 4.883 0.003 1 0 "[ ]" 1
1036 1 61 GLU HA 1 64 LEU MD1 . . 4.790 2.126 2.126 2.126 . 0 0 "[ ]" 1
1037 1 61 GLU HA 1 65 MET H . . 5.280 4.000 4.000 4.000 . 0 0 "[ ]" 1
1038 1 61 GLU HA 1 95 ILE MD . . 4.540 3.122 3.122 3.122 . 0 0 "[ ]" 1
1039 1 61 GLU HA 1 95 ILE MG . . 3.890 2.344 2.344 2.344 . 0 0 "[ ]" 1
1040 1 61 GLU HB2 1 95 ILE MG . . 4.670 2.223 2.223 2.223 . 0 0 "[ ]" 1
1041 1 61 GLU HB3 1 95 ILE MG . . 3.860 2.386 2.386 2.386 . 0 0 "[ ]" 1
1042 1 61 GLU QG 1 95 ILE MG . . 5.980 3.852 3.852 3.852 . 0 0 "[ ]" 1
1043 1 62 GLU H 1 62 GLU HB2 . . 2.620 2.549 2.549 2.549 . 0 0 "[ ]" 1
1044 1 62 GLU H 1 62 GLU HG2 . . 4.290 3.439 3.439 3.439 . 0 0 "[ ]" 1
1045 1 62 GLU H 1 62 GLU HG3 . . 4.380 2.077 2.077 2.077 . 0 0 "[ ]" 1
1046 1 62 GLU H 1 63 THR H . . 3.390 2.833 2.833 2.833 . 0 0 "[ ]" 1
1047 1 62 GLU H 1 63 THR MG . . 6.530 4.342 4.342 4.342 . 0 0 "[ ]" 1
1048 1 62 GLU H 1 64 LEU H . . 5.500 4.264 4.264 4.264 . 0 0 "[ ]" 1
1049 1 62 GLU H 1 65 MET H . . 5.500 4.778 4.778 4.778 . 0 0 "[ ]" 1
1050 1 62 GLU HA 1 62 GLU HB2 . . 2.680 3.058 3.058 3.058 0.378 1 0 "[ ]" 1
1051 1 62 GLU HA 1 62 GLU HG2 . . 4.230 2.752 2.752 2.752 . 0 0 "[ ]" 1
1052 1 62 GLU HA 1 62 GLU HG3 . . 3.640 3.039 3.039 3.039 . 0 0 "[ ]" 1
1053 1 62 GLU HA 1 63 THR H . . 4.010 3.569 3.569 3.569 . 0 0 "[ ]" 1
1054 1 62 GLU HA 1 65 MET H . . 3.950 3.602 3.602 3.602 . 0 0 "[ ]" 1
1055 1 62 GLU HA 1 65 MET HB2 . . 3.330 2.297 2.297 2.297 . 0 0 "[ ]" 1
1056 1 62 GLU HA 1 65 MET HB3 . . 3.360 3.414 3.414 3.414 0.054 1 0 "[ ]" 1
1057 1 62 GLU HA 1 66 GLU H . . 5.500 4.101 4.101 4.101 . 0 0 "[ ]" 1
1058 1 62 GLU HB2 1 63 THR H . . 3.360 2.371 2.371 2.371 . 0 0 "[ ]" 1
1059 1 62 GLU HB2 1 64 LEU H . . 5.500 4.871 4.871 4.871 . 0 0 "[ ]" 1
1060 1 62 GLU HG2 1 63 THR H . . 5.500 4.963 4.963 4.963 . 0 0 "[ ]" 1
1061 1 62 GLU HG3 1 63 THR H . . 5.500 4.242 4.242 4.242 . 0 0 "[ ]" 1
1062 1 63 THR H 1 63 THR HB . . 3.890 3.490 3.490 3.490 . 0 0 "[ ]" 1
1063 1 63 THR H 1 63 THR MG . . 3.610 2.216 2.216 2.216 . 0 0 "[ ]" 1
1064 1 63 THR H 1 64 LEU H . . 3.170 2.779 2.779 2.779 . 0 0 "[ ]" 1
1065 1 63 THR H 1 65 MET H . . 4.760 4.255 4.255 4.255 . 0 0 "[ ]" 1
1066 1 63 THR HA 1 63 THR MG . . 3.520 2.285 2.285 2.285 . 0 0 "[ ]" 1
1067 1 63 THR HA 1 64 LEU H . . 5.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
1068 1 63 THR HA 1 66 GLU H . . 4.290 3.610 3.610 3.610 . 0 0 "[ ]" 1
1069 1 63 THR HA 1 66 GLU HB3 . . 3.550 3.116 3.116 3.116 . 0 0 "[ ]" 1
1070 1 63 THR HA 1 74 TYR QE . . 7.630 2.689 2.689 2.689 . 0 0 "[ ]" 1
1071 1 63 THR MG 1 74 TYR QD . . 8.670 4.730 4.730 4.730 . 0 0 "[ ]" 1
1072 1 63 THR MG 1 74 TYR QE . . 7.820 2.720 2.720 2.720 . 0 0 "[ ]" 1
1073 1 64 LEU H 1 64 LEU HB2 . . 2.860 2.550 2.550 2.550 . 0 0 "[ ]" 1
1074 1 64 LEU H 1 64 LEU HB3 . . 3.640 3.660 3.660 3.660 0.020 1 0 "[ ]" 1
1075 1 64 LEU H 1 64 LEU MD1 . . 5.540 2.050 2.050 2.050 . 0 0 "[ ]" 1
1076 1 64 LEU H 1 64 LEU HG . . 3.270 2.892 2.892 2.892 . 0 0 "[ ]" 1
1077 1 64 LEU H 1 65 MET H . . 3.240 2.339 2.339 2.339 . 0 0 "[ ]" 1
1078 1 64 LEU H 1 66 GLU H . . 5.500 3.801 3.801 3.801 . 0 0 "[ ]" 1
1079 1 64 LEU H 1 95 ILE MD . . 5.440 3.664 3.664 3.664 . 0 0 "[ ]" 1
1080 1 64 LEU HA 1 64 LEU MD2 . . 3.740 3.109 3.109 3.109 . 0 0 "[ ]" 1
1081 1 64 LEU HA 1 64 LEU HG . . 4.170 2.316 2.316 2.316 . 0 0 "[ ]" 1
1082 1 64 LEU HA 1 67 TYR H . . 3.700 2.974 2.974 2.974 . 0 0 "[ ]" 1
1083 1 64 LEU HA 1 67 TYR HB2 . . 3.890 3.476 3.476 3.476 . 0 0 "[ ]" 1
1084 1 64 LEU HA 1 67 TYR HB3 . . 3.420 2.064 2.064 2.064 . 0 0 "[ ]" 1
1085 1 64 LEU HA 1 68 LEU H . . 3.450 3.027 3.027 3.027 . 0 0 "[ ]" 1
1086 1 64 LEU HB2 1 64 LEU MD1 . . 3.580 2.229 2.229 2.229 . 0 0 "[ ]" 1
1087 1 64 LEU HB2 1 65 MET H . . 3.640 2.616 2.616 2.616 . 0 0 "[ ]" 1
1088 1 64 LEU HB2 1 68 LEU H . . 4.940 5.046 5.046 5.046 0.106 1 0 "[ ]" 1
1089 1 64 LEU HB3 1 65 MET H . . 3.950 3.737 3.737 3.737 . 0 0 "[ ]" 1
1090 1 64 LEU HB3 1 68 LEU MD1 . . 4.790 2.367 2.367 2.367 . 0 0 "[ ]" 1
1091 1 64 LEU MD1 1 65 MET H . . 6.530 3.653 3.653 3.653 . 0 0 "[ ]" 1
1092 1 64 LEU MD1 1 95 ILE HA . . 6.530 4.451 4.451 4.451 . 0 0 "[ ]" 1
1093 1 64 LEU MD1 1 95 ILE HB . . 6.530 5.069 5.069 5.069 . 0 0 "[ ]" 1
1094 1 64 LEU MD1 1 95 ILE MD . . 6.690 3.331 3.331 3.331 . 0 0 "[ ]" 1
1095 1 64 LEU MD1 1 95 ILE HG12 . . 4.790 2.929 2.929 2.929 . 0 0 "[ ]" 1
1096 1 64 LEU MD1 1 95 ILE MG . . 6.410 2.800 2.800 2.800 . 0 0 "[ ]" 1
1097 1 64 LEU MD2 1 65 MET H . . 6.530 4.945 4.945 4.945 . 0 0 "[ ]" 1
1098 1 64 LEU MD2 1 67 TYR HB2 . . 6.530 5.283 5.283 5.283 . 0 0 "[ ]" 1
1099 1 64 LEU MD2 1 67 TYR HB3 . . 6.530 4.241 4.241 4.241 . 0 0 "[ ]" 1
1100 1 64 LEU MD2 1 67 TYR QD . . 8.670 3.086 3.086 3.086 . 0 0 "[ ]" 1
1101 1 64 LEU MD2 1 68 LEU HG . . 5.940 3.602 3.602 3.602 . 0 0 "[ ]" 1
1102 1 64 LEU MD2 1 95 ILE HA . . 6.530 4.385 4.385 4.385 . 0 0 "[ ]" 1
1103 1 64 LEU MD2 1 95 ILE MD . . 7.090 3.947 3.947 3.947 . 0 0 "[ ]" 1
1104 1 64 LEU MD2 1 95 ILE HG12 . . 5.690 3.148 3.148 3.148 . 0 0 "[ ]" 1
1105 1 64 LEU MD2 1 95 ILE MG . . 7.560 3.990 3.990 3.990 . 0 0 "[ ]" 1
1106 1 64 LEU MD2 1 98 LEU MD1 . . 6.320 2.614 2.614 2.614 . 0 0 "[ ]" 1
1107 1 65 MET H 1 65 MET HB2 . . 2.800 2.063 2.063 2.063 . 0 0 "[ ]" 1
1108 1 65 MET H 1 65 MET HB3 . . 3.390 3.399 3.399 3.399 0.009 1 0 "[ ]" 1
1109 1 65 MET H 1 65 MET HG2 . . 4.510 4.157 4.157 4.157 . 0 0 "[ ]" 1
1110 1 65 MET H 1 65 MET HG3 . . 3.360 3.039 3.039 3.039 . 0 0 "[ ]" 1
1111 1 65 MET H 1 66 GLU H . . 3.480 2.858 2.858 2.858 . 0 0 "[ ]" 1
1112 1 65 MET H 1 67 TYR H . . 4.320 4.243 4.243 4.243 . 0 0 "[ ]" 1
1113 1 65 MET H 1 68 LEU MD1 . . 6.530 4.157 4.157 4.157 . 0 0 "[ ]" 1
1114 1 65 MET H 1 95 ILE MD . . 4.230 2.466 2.466 2.466 . 0 0 "[ ]" 1
1115 1 65 MET H 1 95 ILE MG . . 6.530 4.282 4.282 4.282 . 0 0 "[ ]" 1
1116 1 65 MET HA 1 66 GLU H . . 4.600 3.563 3.563 3.563 . 0 0 "[ ]" 1
1117 1 65 MET HA 1 68 LEU HB2 . . 3.790 3.550 3.550 3.550 . 0 0 "[ ]" 1
1118 1 65 MET HA 1 68 LEU MD1 . . 5.230 3.518 3.518 3.518 . 0 0 "[ ]" 1
1119 1 65 MET HA 1 68 LEU HG . . 5.500 5.124 5.124 5.124 . 0 0 "[ ]" 1
1120 1 65 MET HA 1 91 ARG HB2 . . 5.220 3.789 3.789 3.789 . 0 0 "[ ]" 1
1121 1 65 MET HA 1 91 ARG HB3 . . 4.690 2.568 2.568 2.568 . 0 0 "[ ]" 1
1122 1 65 MET HA 1 91 ARG HG2 . . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
1123 1 65 MET HA 1 95 ILE MD . . 3.520 2.708 2.708 2.708 . 0 0 "[ ]" 1
1124 1 65 MET HB2 1 66 GLU H . . 3.860 2.933 2.933 2.933 . 0 0 "[ ]" 1
1125 1 65 MET HB2 1 95 ILE MD . . 3.950 3.318 3.318 3.318 . 0 0 "[ ]" 1
1126 1 65 MET HB3 1 66 GLU H . . 3.730 3.036 3.036 3.036 . 0 0 "[ ]" 1
1127 1 65 MET HG2 1 91 ARG HB2 . . 3.890 3.422 3.422 3.422 . 0 0 "[ ]" 1
1128 1 65 MET HG2 1 91 ARG HB3 . . 3.670 3.197 3.197 3.197 . 0 0 "[ ]" 1
1129 1 65 MET HG2 1 95 ILE MD . . 5.010 3.352 3.352 3.352 . 0 0 "[ ]" 1
1130 1 65 MET HG3 1 91 ARG HB2 . . 4.010 4.026 4.026 4.026 0.016 1 0 "[ ]" 1
1131 1 65 MET HG3 1 91 ARG HB3 . . 4.290 3.101 3.101 3.101 . 0 0 "[ ]" 1
1132 1 65 MET HG3 1 95 ILE MD . . 4.300 2.077 2.077 2.077 . 0 0 "[ ]" 1
1133 1 66 GLU H 1 66 GLU HB3 . . 2.900 2.690 2.690 2.690 . 0 0 "[ ]" 1
1134 1 66 GLU H 1 66 GLU HG2 . . 5.500 4.577 4.577 4.577 . 0 0 "[ ]" 1
1135 1 66 GLU H 1 66 GLU HG3 . . 5.160 4.251 4.251 4.251 . 0 0 "[ ]" 1
1136 1 66 GLU H 1 67 TYR H . . 3.360 2.591 2.591 2.591 . 0 0 "[ ]" 1
1137 1 66 GLU HA 1 66 GLU HB3 . . 2.650 3.030 3.030 3.030 0.380 1 0 "[ ]" 1
1138 1 66 GLU HA 1 66 GLU HG2 . . 4.290 3.035 3.035 3.035 . 0 0 "[ ]" 1
1139 1 66 GLU HA 1 66 GLU HG3 . . 4.070 2.308 2.308 2.308 . 0 0 "[ ]" 1
1140 1 66 GLU HA 1 67 TYR H . . 3.730 3.557 3.557 3.557 . 0 0 "[ ]" 1
1141 1 66 GLU HB3 1 67 TYR H . . 2.710 2.765 2.765 2.765 0.055 1 0 "[ ]" 1
1142 1 66 GLU HB3 1 74 TYR QD . . 6.400 3.796 3.796 3.796 . 0 0 "[ ]" 1
1143 1 66 GLU HB3 1 74 TYR QE . . 5.770 3.042 3.042 3.042 . 0 0 "[ ]" 1
1144 1 66 GLU HG2 1 74 TYR QD . . 7.450 2.956 2.956 2.956 . 0 0 "[ ]" 1
1145 1 66 GLU HG2 1 74 TYR QE . . 6.730 2.704 2.704 2.704 . 0 0 "[ ]" 1
1146 1 66 GLU HG3 1 74 TYR QD . . 7.640 4.682 4.682 4.682 . 0 0 "[ ]" 1
1147 1 66 GLU HG3 1 74 TYR QE . . 7.630 4.033 4.033 4.033 . 0 0 "[ ]" 1
1148 1 67 TYR H 1 67 TYR HB2 . . 3.080 2.793 2.793 2.793 . 0 0 "[ ]" 1
1149 1 67 TYR H 1 67 TYR HB3 . . 3.080 2.240 2.240 2.240 . 0 0 "[ ]" 1
1150 1 67 TYR H 1 69 GLU H . . 3.480 3.658 3.658 3.658 0.178 1 0 "[ ]" 1
1151 1 67 TYR H 1 74 TYR QD . . 7.640 4.270 4.270 4.270 . 0 0 "[ ]" 1
1152 1 67 TYR H 1 74 TYR QE . . 7.630 4.267 4.267 4.267 . 0 0 "[ ]" 1
1153 1 67 TYR HA 1 71 PRO HA . . 4.690 3.437 3.437 3.437 . 0 0 "[ ]" 1
1154 1 67 TYR HA 1 74 TYR QD . . 6.900 3.404 3.404 3.404 . 0 0 "[ ]" 1
1155 1 67 TYR HB2 1 68 LEU H . . 4.850 3.788 3.788 3.788 . 0 0 "[ ]" 1
1156 1 67 TYR HB2 1 74 TYR QD . . 6.990 2.335 2.335 2.335 . 0 0 "[ ]" 1
1157 1 67 TYR HB2 1 74 TYR QE . . 7.630 3.536 3.536 3.536 . 0 0 "[ ]" 1
1158 1 67 TYR HB3 1 68 LEU H . . 3.300 2.327 2.327 2.327 . 0 0 "[ ]" 1
1159 1 67 TYR HB3 1 74 TYR QD . . 7.640 3.980 3.980 3.980 . 0 0 "[ ]" 1
1160 1 67 TYR HB3 1 74 TYR QE . . 7.630 4.598 4.598 4.598 . 0 0 "[ ]" 1
1161 1 67 TYR QD 1 68 LEU MD1 . . 8.670 3.899 3.899 3.899 . 0 0 "[ ]" 1
1162 1 67 TYR QD 1 68 LEU MD2 . . 7.800 3.144 3.144 3.144 . 0 0 "[ ]" 1
1163 1 67 TYR QD 1 71 PRO HA . . 7.390 2.299 2.299 2.299 . 0 0 "[ ]" 1
1164 1 67 TYR QD 1 74 TYR HB2 . . 7.550 2.573 2.573 2.573 . 0 0 "[ ]" 1
1165 1 67 TYR QD 1 74 TYR HB3 . . 7.640 2.699 2.699 2.699 . 0 0 "[ ]" 1
1166 1 67 TYR QD 1 74 TYR QD . . 8.570 3.432 3.432 3.432 . 0 0 "[ ]" 1
1167 1 67 TYR QD 1 74 TYR QE . . 9.770 5.200 5.200 5.200 . 0 0 "[ ]" 1
1168 1 68 LEU H 1 68 LEU HB2 . . 2.990 2.412 2.412 2.412 . 0 0 "[ ]" 1
1169 1 68 LEU H 1 68 LEU HB3 . . 3.550 3.566 3.566 3.566 0.016 1 0 "[ ]" 1
1170 1 68 LEU H 1 68 LEU MD1 . . 5.350 3.384 3.384 3.384 . 0 0 "[ ]" 1
1171 1 68 LEU H 1 68 LEU MD2 . . 5.660 3.548 3.548 3.548 . 0 0 "[ ]" 1
1172 1 68 LEU H 1 68 LEU HG . . 3.080 2.236 2.236 2.236 . 0 0 "[ ]" 1
1173 1 68 LEU H 1 69 GLU H . . 2.990 2.814 2.814 2.814 . 0 0 "[ ]" 1
1174 1 68 LEU H 1 74 TYR QD . . 7.640 5.769 5.769 5.769 . 0 0 "[ ]" 1
1175 1 68 LEU HA 1 68 LEU MD2 . . 3.770 2.175 2.175 2.175 . 0 0 "[ ]" 1
1176 1 68 LEU HA 1 68 LEU HG . . 4.110 2.948 2.948 2.948 . 0 0 "[ ]" 1
1177 1 68 LEU HA 1 69 GLU H . . 3.950 3.541 3.541 3.541 . 0 0 "[ ]" 1
1178 1 68 LEU HA 1 82 PHE QD . . 7.620 6.196 6.196 6.196 . 0 0 "[ ]" 1
1179 1 68 LEU HA 1 82 PHE QE . . 7.280 4.371 4.371 4.371 . 0 0 "[ ]" 1
1180 1 68 LEU HA 1 85 ILE MD . . 6.530 5.291 5.291 5.291 . 0 0 "[ ]" 1
1181 1 68 LEU HB2 1 69 GLU H . . 4.040 3.209 3.209 3.209 . 0 0 "[ ]" 1
1182 1 68 LEU HB3 1 69 GLU H . . 5.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
1183 1 68 LEU MD1 1 85 ILE HG13 . . 4.640 2.860 2.860 2.860 . 0 0 "[ ]" 1
1184 1 68 LEU MD1 1 91 ARG HA . . 4.570 2.976 2.976 2.976 . 0 0 "[ ]" 1
1185 1 68 LEU MD1 1 91 ARG HG2 . . 4.110 2.746 2.746 2.746 . 0 0 "[ ]" 1
1186 1 68 LEU MD1 1 94 LEU HB2 . . 4.450 4.615 4.615 4.615 0.165 1 0 "[ ]" 1
1187 1 68 LEU MD1 1 95 ILE MD . . 5.420 2.364 2.364 2.364 . 0 0 "[ ]" 1
1188 1 68 LEU MD1 1 95 ILE HG12 . . 3.990 3.333 3.333 3.333 . 0 0 "[ ]" 1
1189 1 68 LEU MD1 1 95 ILE HG13 . . 3.710 2.941 2.941 2.941 . 0 0 "[ ]" 1
1190 1 68 LEU MD2 1 82 PHE QD . . 8.650 5.268 5.268 5.268 . 0 0 "[ ]" 1
1191 1 68 LEU MD2 1 82 PHE QE . . 8.530 3.520 3.520 3.520 . 0 0 "[ ]" 1
1192 1 68 LEU MD2 1 85 ILE MD . . 7.340 3.434 3.434 3.434 . 0 0 "[ ]" 1
1193 1 68 LEU MD2 1 85 ILE HG13 . . 6.530 2.813 2.813 2.813 . 0 0 "[ ]" 1
1194 1 68 LEU MD2 1 85 ILE MG . . 7.560 4.447 4.447 4.447 . 0 0 "[ ]" 1
1195 1 68 LEU MD2 1 94 LEU MD2 . . 6.190 3.156 3.156 3.156 . 0 0 "[ ]" 1
1196 1 68 LEU HG 1 69 GLU H . . 5.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
1197 1 69 GLU H 1 69 GLU HB2 . . 2.930 2.652 2.652 2.652 . 0 0 "[ ]" 1
1198 1 69 GLU H 1 69 GLU HB3 . . 3.020 2.704 2.704 2.704 . 0 0 "[ ]" 1
1199 1 69 GLU H 1 69 GLU QG . . 3.730 4.073 4.073 4.073 0.343 1 0 "[ ]" 1
1200 1 69 GLU HA 1 69 GLU QG . . 2.800 2.213 2.213 2.213 . 0 0 "[ ]" 1
1201 1 69 GLU HB3 1 70 ASN HB2 . . 5.220 3.518 3.518 3.518 . 0 0 "[ ]" 1
1202 1 69 GLU HB3 1 70 ASN HB3 . . 5.500 5.183 5.183 5.183 . 0 0 "[ ]" 1
1203 1 69 GLU QG 1 70 ASN HB3 . . 4.880 4.987 4.987 4.987 0.107 1 0 "[ ]" 1
1204 1 70 ASN H 1 70 ASN HB3 . . 3.550 3.773 3.773 3.773 0.223 1 0 "[ ]" 1
1205 1 70 ASN H 1 71 PRO HD2 . . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
1206 1 70 ASN H 1 71 PRO HD3 . . 5.070 3.639 3.639 3.639 . 0 0 "[ ]" 1
1207 1 70 ASN HA 1 70 ASN HB3 . . 3.110 2.694 2.694 2.694 . 0 0 "[ ]" 1
1208 1 70 ASN HA 1 70 ASN HD22 . . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
1209 1 70 ASN HA 1 71 PRO HA . . 5.130 4.544 4.544 4.544 . 0 0 "[ ]" 1
1210 1 70 ASN HA 1 71 PRO HD2 . . 3.580 2.073 2.073 2.073 . 0 0 "[ ]" 1
1211 1 70 ASN HA 1 71 PRO HD3 . . 4.110 2.847 2.847 2.847 . 0 0 "[ ]" 1
1212 1 70 ASN HA 1 72 LYS H . . 3.480 3.567 3.567 3.567 0.087 1 0 "[ ]" 1
1213 1 70 ASN HA 1 84 GLY HA2 . . 5.500 4.805 4.805 4.805 . 0 0 "[ ]" 1
1214 1 70 ASN HA 1 84 GLY HA3 . . 3.950 3.983 3.983 3.983 0.033 1 0 "[ ]" 1
1215 1 70 ASN HB2 1 70 ASN HD22 . . 4.290 3.588 3.588 3.588 . 0 0 "[ ]" 1
1216 1 70 ASN HB2 1 73 LYS H . . 5.500 3.697 3.697 3.697 . 0 0 "[ ]" 1
1217 1 70 ASN HB2 1 73 LYS HB2 . . 3.020 3.296 3.296 3.296 0.276 1 0 "[ ]" 1
1218 1 70 ASN HB2 1 73 LYS HB3 . . 5.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
1219 1 70 ASN HB3 1 70 ASN HD21 . . 3.610 3.507 3.507 3.507 . 0 0 "[ ]" 1
1220 1 70 ASN HB3 1 70 ASN HD22 . . 3.670 4.034 4.034 4.034 0.364 1 0 "[ ]" 1
1221 1 70 ASN HB3 1 73 LYS HB2 . . 5.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
1222 1 70 ASN HD21 1 73 LYS HB2 . . 4.480 4.916 4.916 4.916 0.436 1 0 "[ ]" 1
1223 1 70 ASN HD21 1 73 LYS HB3 . . 5.500 4.937 4.937 4.937 . 0 0 "[ ]" 1
1224 1 71 PRO HA 1 72 LYS H . . 4.850 3.589 3.589 3.589 . 0 0 "[ ]" 1
1225 1 71 PRO HA 1 74 TYR H . . 5.500 3.610 3.610 3.610 . 0 0 "[ ]" 1
1226 1 71 PRO HA 1 74 TYR HB2 . . 3.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
1227 1 71 PRO HA 1 74 TYR HB3 . . 4.000 4.008 4.008 4.008 0.008 1 0 "[ ]" 1
1228 1 71 PRO HA 1 74 TYR QD . . 7.640 5.067 5.067 5.067 . 0 0 "[ ]" 1
1229 1 71 PRO HA 1 78 THR HB . . 6.000 5.982 5.982 5.982 . 0 0 "[ ]" 1
1230 1 71 PRO QB 1 72 LYS H . . 5.510 3.242 3.242 3.242 . 0 0 "[ ]" 1
1231 1 71 PRO QB 1 78 THR HB . . 6.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
1232 1 71 PRO HD2 1 72 LYS H . . 5.040 2.854 2.854 2.854 . 0 0 "[ ]" 1
1233 1 71 PRO HD3 1 72 LYS H . . 5.500 3.961 3.961 3.961 . 0 0 "[ ]" 1
1234 1 71 PRO HD3 1 72 LYS QG . . 6.380 5.046 5.046 5.046 . 0 0 "[ ]" 1
1235 1 72 LYS H 1 72 LYS QB . . 3.330 2.466 2.466 2.466 . 0 0 "[ ]" 1
1236 1 72 LYS H 1 72 LYS QG . . 4.980 2.155 2.155 2.155 . 0 0 "[ ]" 1
1237 1 72 LYS H 1 73 LYS H . . 3.390 2.812 2.812 2.812 . 0 0 "[ ]" 1
1238 1 72 LYS H 1 77 GLY H . . 5.500 5.537 5.537 5.537 0.037 1 0 "[ ]" 1
1239 1 72 LYS HA 1 73 LYS H . . 4.010 3.564 3.564 3.564 . 0 0 "[ ]" 1
1240 1 72 LYS HA 1 75 ILE H . . 3.860 3.657 3.657 3.657 . 0 0 "[ ]" 1
1241 1 72 LYS HA 1 78 THR MG . . 4.760 3.284 3.284 3.284 . 0 0 "[ ]" 1
1242 1 72 LYS QB 1 73 LYS H . . 4.170 3.700 3.700 3.700 . 0 0 "[ ]" 1
1243 1 72 LYS QB 1 76 PRO HA . . 3.050 3.525 3.525 3.525 0.475 1 0 "[ ]" 1
1244 1 72 LYS QB 1 77 GLY H . . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
1245 1 72 LYS QG 1 73 LYS H . . 6.380 2.568 2.568 2.568 . 0 0 "[ ]" 1
1246 1 73 LYS H 1 73 LYS HB2 . . 2.830 2.738 2.738 2.738 . 0 0 "[ ]" 1
1247 1 73 LYS H 1 74 TYR H . . 3.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
1248 1 73 LYS H 1 75 ILE H . . 5.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
1249 1 73 LYS HA 1 73 LYS HB2 . . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
1250 1 73 LYS HA 1 74 TYR H . . 5.500 3.570 3.570 3.570 . 0 0 "[ ]" 1
1251 1 73 LYS HA 1 76 PRO QG . . 5.500 5.705 5.705 5.705 0.205 1 0 "[ ]" 1
1252 1 74 TYR H 1 74 TYR HB2 . . 3.390 2.110 2.110 2.110 . 0 0 "[ ]" 1
1253 1 74 TYR H 1 74 TYR HB3 . . 3.270 3.318 3.318 3.318 0.048 1 0 "[ ]" 1
1254 1 74 TYR H 1 75 ILE H . . 3.110 2.690 2.690 2.690 . 0 0 "[ ]" 1
1255 1 74 TYR HA 1 75 ILE H . . 4.380 3.557 3.557 3.557 . 0 0 "[ ]" 1
1256 1 74 TYR HB2 1 75 ILE H . . 3.670 3.045 3.045 3.045 . 0 0 "[ ]" 1
1257 1 74 TYR QD 1 75 ILE H . . 7.640 4.588 4.588 4.588 . 0 0 "[ ]" 1
1258 1 74 TYR QD 1 75 ILE MD . . 6.400 3.875 3.875 3.875 . 0 0 "[ ]" 1
1259 1 74 TYR QE 1 75 ILE MD . . 8.660 5.674 5.674 5.674 . 0 0 "[ ]" 1
1260 1 75 ILE H 1 75 ILE HB . . 3.520 2.467 2.467 2.467 . 0 0 "[ ]" 1
1261 1 75 ILE H 1 75 ILE MD . . 5.010 3.514 3.514 3.514 . 0 0 "[ ]" 1
1262 1 75 ILE H 1 76 PRO HD2 . . 4.480 4.649 4.649 4.649 0.169 1 0 "[ ]" 1
1263 1 75 ILE H 1 76 PRO HD3 . . 5.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
1264 1 75 ILE HA 1 76 PRO HD2 . . 3.920 2.198 2.198 2.198 . 0 0 "[ ]" 1
1265 1 75 ILE HA 1 76 PRO HD3 . . 3.520 2.714 2.714 2.714 . 0 0 "[ ]" 1
1266 1 75 ILE HA 1 76 PRO QG . . 4.820 4.026 4.026 4.026 . 0 0 "[ ]" 1
1267 1 75 ILE HA 1 78 THR MG . . 5.260 4.195 4.195 4.195 . 0 0 "[ ]" 1
1268 1 76 PRO HA 1 76 PRO QG . . 3.860 3.524 3.524 3.524 . 0 0 "[ ]" 1
1269 1 76 PRO HA 1 77 GLY H . . 3.210 2.250 2.250 2.250 . 0 0 "[ ]" 1
1270 1 79 LYS HA 1 79 LYS HB2 . . 3.140 3.036 3.036 3.036 . 0 0 "[ ]" 1
1271 1 79 LYS HA 1 79 LYS HG2 . . 4.230 2.636 2.636 2.636 . 0 0 "[ ]" 1
1272 1 79 LYS HA 1 80 MET HA . . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
1273 1 79 LYS HA 1 80 MET HB2 . . 5.500 4.137 4.137 4.137 . 0 0 "[ ]" 1
1274 1 81 ILE HA 1 82 PHE H . . 3.610 3.538 3.538 3.538 . 0 0 "[ ]" 1
1275 1 82 PHE H 1 82 PHE HB2 . . 4.070 3.771 3.771 3.771 . 0 0 "[ ]" 1
1276 1 82 PHE H 1 82 PHE HB3 . . 3.730 2.864 2.864 2.864 . 0 0 "[ ]" 1
1277 1 82 PHE HB2 1 83 ALA H . . 4.170 2.893 2.893 2.893 . 0 0 "[ ]" 1
1278 1 82 PHE HB2 1 84 GLY H . . 3.950 3.918 3.918 3.918 . 0 0 "[ ]" 1
1279 1 82 PHE QD 1 84 GLY HA2 . . 7.620 3.481 3.481 3.481 . 0 0 "[ ]" 1
1280 1 82 PHE QD 1 84 GLY HA3 . . 7.620 4.651 4.651 4.651 . 0 0 "[ ]" 1
1281 1 82 PHE QD 1 85 ILE MD . . 8.490 3.369 3.369 3.369 . 0 0 "[ ]" 1
1282 1 82 PHE QD 1 85 ILE HG12 . . 7.310 4.506 4.506 4.506 . 0 0 "[ ]" 1
1283 1 82 PHE QD 1 85 ILE HG13 . . 7.620 5.852 5.852 5.852 . 0 0 "[ ]" 1
1284 1 82 PHE QE 1 84 GLY HA3 . . 7.620 4.231 4.231 4.231 . 0 0 "[ ]" 1
1285 1 82 PHE QE 1 85 ILE MD . . 8.490 2.280 2.280 2.280 . 0 0 "[ ]" 1
1286 1 82 PHE QE 1 85 ILE HG12 . . 7.590 2.200 2.200 2.200 . 0 0 "[ ]" 1
1287 1 82 PHE QE 1 85 ILE HG13 . . 7.620 3.754 3.754 3.754 . 0 0 "[ ]" 1
1288 1 83 ALA HA 1 84 GLY H . . 3.790 3.587 3.587 3.587 . 0 0 "[ ]" 1
1289 1 83 ALA MB 1 84 GLY H . . 4.640 2.289 2.289 2.289 . 0 0 "[ ]" 1
1290 1 84 GLY HA2 1 85 ILE H . . 3.270 2.468 2.468 2.468 . 0 0 "[ ]" 1
1291 1 84 GLY HA3 1 85 ILE H . . 3.240 2.813 2.813 2.813 . 0 0 "[ ]" 1
1292 1 85 ILE H 1 85 ILE HB . . 3.170 2.522 2.522 2.522 . 0 0 "[ ]" 1
1293 1 85 ILE H 1 85 ILE HG12 . . 4.540 2.400 2.400 2.400 . 0 0 "[ ]" 1
1294 1 85 ILE H 1 85 ILE HG13 . . 5.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
1295 1 85 ILE HA 1 86 LYS H . . 3.610 2.259 2.259 2.259 . 0 0 "[ ]" 1
1296 1 85 ILE HA 1 91 ARG HG3 . . 4.690 4.785 4.785 4.785 0.095 1 0 "[ ]" 1
1297 1 85 ILE MD 1 90 GLU HB3 . . 4.450 3.614 3.614 3.614 . 0 0 "[ ]" 1
1298 1 85 ILE MD 1 91 ARG HA . . 6.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
1299 1 85 ILE MG 1 87 LYS H . . 3.950 2.767 2.767 2.767 . 0 0 "[ ]" 1
1300 1 85 ILE MG 1 90 GLU H . . 4.450 3.711 3.711 3.711 . 0 0 "[ ]" 1
1301 1 85 ILE MG 1 90 GLU HB2 . . 3.490 2.141 2.141 2.141 . 0 0 "[ ]" 1
1302 1 85 ILE MG 1 90 GLU HB3 . . 3.770 2.425 2.425 2.425 . 0 0 "[ ]" 1
1303 1 85 ILE MG 1 91 ARG H . . 4.450 2.679 2.679 2.679 . 0 0 "[ ]" 1
1304 1 85 ILE MG 1 91 ARG HA . . 4.670 2.996 2.996 2.996 . 0 0 "[ ]" 1
1305 1 85 ILE MG 1 92 GLU H . . 6.280 5.038 5.038 5.038 . 0 0 "[ ]" 1
1306 1 86 LYS H 1 86 LYS HB2 . . 3.330 2.182 2.182 2.182 . 0 0 "[ ]" 1
1307 1 86 LYS H 1 87 LYS H . . 5.130 2.889 2.889 2.889 . 0 0 "[ ]" 1
1308 1 86 LYS H 1 87 LYS HA . . 5.500 5.511 5.511 5.511 0.011 1 0 "[ ]" 1
1309 1 87 LYS H 1 87 LYS HB2 . . 3.520 2.198 2.198 2.198 . 0 0 "[ ]" 1
1310 1 87 LYS H 1 87 LYS HB3 . . 3.020 3.517 3.517 3.517 0.497 1 0 "[ ]" 1
1311 1 87 LYS H 1 87 LYS HD2 . . 3.890 3.664 3.664 3.664 . 0 0 "[ ]" 1
1312 1 87 LYS H 1 90 GLU H . . 5.500 4.809 4.809 4.809 . 0 0 "[ ]" 1
1313 1 87 LYS HA 1 87 LYS HD2 . . 5.500 4.395 4.395 4.395 . 0 0 "[ ]" 1
1314 1 87 LYS HA 1 90 GLU H . . 5.500 4.186 4.186 4.186 . 0 0 "[ ]" 1
1315 1 87 LYS HB2 1 90 GLU H . . 3.700 3.255 3.255 3.255 . 0 0 "[ ]" 1
1316 1 87 LYS HB3 1 89 THR H . . 4.320 3.274 3.274 3.274 . 0 0 "[ ]" 1
1317 1 87 LYS HB3 1 90 GLU H . . 3.360 2.225 2.225 2.225 . 0 0 "[ ]" 1
1318 1 87 LYS HG2 1 89 THR H . . 5.160 4.420 4.420 4.420 . 0 0 "[ ]" 1
1319 1 87 LYS HG2 1 90 GLU H . . 5.500 4.481 4.481 4.481 . 0 0 "[ ]" 1
1320 1 88 LYS HA 1 88 LYS HB3 . . 2.960 3.044 3.044 3.044 0.084 1 0 "[ ]" 1
1321 1 88 LYS HA 1 88 LYS HG2 . . 3.080 3.263 3.263 3.263 0.183 1 0 "[ ]" 1
1322 1 88 LYS HA 1 89 THR H . . 5.040 3.606 3.606 3.606 . 0 0 "[ ]" 1
1323 1 88 LYS HA 1 90 GLU H . . 4.480 4.468 4.468 4.468 . 0 0 "[ ]" 1
1324 1 88 LYS HA 1 91 ARG H . . 4.070 3.467 3.467 3.467 . 0 0 "[ ]" 1
1325 1 88 LYS HB3 1 89 THR H . . 3.050 2.693 2.693 2.693 . 0 0 "[ ]" 1
1326 1 88 LYS HG2 1 92 GLU HG3 . . 3.730 3.095 3.095 3.095 . 0 0 "[ ]" 1
1327 1 89 THR H 1 89 THR HA . . 2.930 2.831 2.831 2.831 . 0 0 "[ ]" 1
1328 1 89 THR H 1 89 THR HB . . 4.230 3.310 3.310 3.310 . 0 0 "[ ]" 1
1329 1 89 THR H 1 89 THR MG . . 3.770 1.867 1.867 1.867 . 0 0 "[ ]" 1
1330 1 89 THR H 1 90 GLU H . . 3.450 2.840 2.840 2.840 . 0 0 "[ ]" 1
1331 1 89 THR HA 1 90 GLU H . . 4.570 3.583 3.583 3.583 . 0 0 "[ ]" 1
1332 1 89 THR HA 1 91 ARG H . . 5.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
1333 1 89 THR HA 1 92 GLU H . . 3.610 3.485 3.485 3.485 . 0 0 "[ ]" 1
1334 1 89 THR HA 1 92 GLU HB2 . . 3.420 2.862 2.862 2.862 . 0 0 "[ ]" 1
1335 1 89 THR HA 1 92 GLU HG2 . . 5.160 5.288 5.288 5.288 0.128 1 0 "[ ]" 1
1336 1 89 THR HA 1 92 GLU HG3 . . 5.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
1337 1 89 THR HB 1 90 GLU H . . 4.040 4.126 4.126 4.126 0.086 1 0 "[ ]" 1
1338 1 89 THR MG 1 90 GLU H . . 5.750 2.678 2.678 2.678 . 0 0 "[ ]" 1
1339 1 90 GLU H 1 90 GLU HB2 . . 2.990 2.378 2.378 2.378 . 0 0 "[ ]" 1
1340 1 90 GLU H 1 90 GLU HB3 . . 3.480 3.559 3.559 3.559 0.079 1 0 "[ ]" 1
1341 1 90 GLU H 1 90 GLU HG2 . . 4.480 3.721 3.721 3.721 . 0 0 "[ ]" 1
1342 1 90 GLU H 1 90 GLU HG3 . . 3.700 2.625 2.625 2.625 . 0 0 "[ ]" 1
1343 1 90 GLU H 1 91 ARG H . . 3.080 2.591 2.591 2.591 . 0 0 "[ ]" 1
1344 1 90 GLU H 1 91 ARG HA . . 5.500 5.239 5.239 5.239 . 0 0 "[ ]" 1
1345 1 90 GLU H 1 91 ARG HB2 . . 4.540 4.645 4.645 4.645 0.105 1 0 "[ ]" 1
1346 1 90 GLU H 1 91 ARG HG3 . . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
1347 1 90 GLU H 1 92 GLU H . . 4.600 4.420 4.420 4.420 . 0 0 "[ ]" 1
1348 1 90 GLU HA 1 90 GLU HB3 . . 2.830 2.575 2.575 2.575 . 0 0 "[ ]" 1
1349 1 90 GLU HA 1 90 GLU HG2 . . 3.330 2.493 2.493 2.493 . 0 0 "[ ]" 1
1350 1 90 GLU HA 1 90 GLU HG3 . . 4.110 3.021 3.021 3.021 . 0 0 "[ ]" 1
1351 1 90 GLU HA 1 91 ARG H . . 4.230 3.554 3.554 3.554 . 0 0 "[ ]" 1
1352 1 90 GLU HA 1 93 ASP HB2 . . 3.420 2.481 2.481 2.481 . 0 0 "[ ]" 1
1353 1 90 GLU HA 1 93 ASP HB3 . . 3.950 3.975 3.975 3.975 0.025 1 0 "[ ]" 1
1354 1 90 GLU HA 1 94 LEU H . . 3.640 3.629 3.629 3.629 . 0 0 "[ ]" 1
1355 1 90 GLU HB2 1 91 ARG H . . 3.760 2.696 2.696 2.696 . 0 0 "[ ]" 1
1356 1 90 GLU HB3 1 91 ARG H . . 3.730 3.501 3.501 3.501 . 0 0 "[ ]" 1
1357 1 90 GLU HG2 1 91 ARG H . . 5.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
1358 1 90 GLU HG3 1 91 ARG H . . 5.500 4.579 4.579 4.579 . 0 0 "[ ]" 1
1359 1 91 ARG H 1 91 ARG HB2 . . 3.140 2.421 2.421 2.421 . 0 0 "[ ]" 1
1360 1 91 ARG H 1 91 ARG HB3 . . 4.380 3.605 3.605 3.605 . 0 0 "[ ]" 1
1361 1 91 ARG H 1 91 ARG QD . . 5.760 4.300 4.300 4.300 . 0 0 "[ ]" 1
1362 1 91 ARG H 1 91 ARG HG2 . . 3.890 3.293 3.293 3.293 . 0 0 "[ ]" 1
1363 1 91 ARG H 1 91 ARG HG3 . . 4.540 2.325 2.325 2.325 . 0 0 "[ ]" 1
1364 1 91 ARG H 1 92 GLU H . . 2.960 2.977 2.977 2.977 0.017 1 0 "[ ]" 1
1365 1 91 ARG HA 1 91 ARG HG2 . . 3.330 2.314 2.314 2.314 . 0 0 "[ ]" 1
1366 1 91 ARG HA 1 91 ARG HG3 . . 3.520 3.159 3.159 3.159 . 0 0 "[ ]" 1
1367 1 91 ARG HA 1 92 GLU H . . 4.110 3.649 3.649 3.649 . 0 0 "[ ]" 1
1368 1 91 ARG HA 1 94 LEU H . . 4.110 3.783 3.783 3.783 . 0 0 "[ ]" 1
1369 1 91 ARG HA 1 94 LEU HB2 . . 3.240 3.650 3.650 3.650 0.410 1 0 "[ ]" 1
1370 1 91 ARG HA 1 94 LEU HB3 . . 3.580 2.728 2.728 2.728 . 0 0 "[ ]" 1
1371 1 91 ARG HA 1 94 LEU MD2 . . 5.290 3.249 3.249 3.249 . 0 0 "[ ]" 1
1372 1 91 ARG HA 1 95 ILE H . . 5.100 3.821 3.821 3.821 . 0 0 "[ ]" 1
1373 1 91 ARG HA 1 95 ILE MD . . 6.530 3.527 3.527 3.527 . 0 0 "[ ]" 1
1374 1 91 ARG HB2 1 95 ILE MD . . 4.570 3.809 3.809 3.809 . 0 0 "[ ]" 1
1375 1 91 ARG HB3 1 92 GLU H . . 3.760 3.297 3.297 3.297 . 0 0 "[ ]" 1
1376 1 91 ARG HB3 1 95 ILE MD . . 3.860 2.565 2.565 2.565 . 0 0 "[ ]" 1
1377 1 92 GLU H 1 92 GLU HB2 . . 2.650 2.457 2.457 2.457 . 0 0 "[ ]" 1
1378 1 92 GLU H 1 92 GLU HB3 . . 3.550 3.564 3.564 3.564 0.014 1 0 "[ ]" 1
1379 1 92 GLU H 1 92 GLU HG2 . . 3.080 3.330 3.330 3.330 0.250 1 0 "[ ]" 1
1380 1 92 GLU H 1 92 GLU HG3 . . 3.300 2.164 2.164 2.164 . 0 0 "[ ]" 1
1381 1 92 GLU H 1 95 ILE MD . . 6.530 3.853 3.853 3.853 . 0 0 "[ ]" 1
1382 1 92 GLU HA 1 92 GLU HB2 . . 3.050 3.053 3.053 3.053 0.003 1 0 "[ ]" 1
1383 1 92 GLU HA 1 92 GLU HB3 . . 2.860 2.490 2.490 2.490 . 0 0 "[ ]" 1
1384 1 92 GLU HA 1 92 GLU HG2 . . 3.360 2.406 2.406 2.406 . 0 0 "[ ]" 1
1385 1 92 GLU HA 1 92 GLU HG3 . . 3.330 3.032 3.032 3.032 . 0 0 "[ ]" 1
1386 1 92 GLU HA 1 94 LEU H . . 5.500 4.783 4.783 4.783 . 0 0 "[ ]" 1
1387 1 92 GLU HA 1 95 ILE H . . 4.040 3.583 3.583 3.583 . 0 0 "[ ]" 1
1388 1 92 GLU HA 1 95 ILE HB . . 2.930 2.595 2.595 2.595 . 0 0 "[ ]" 1
1389 1 92 GLU HA 1 95 ILE MD . . 4.360 2.629 2.629 2.629 . 0 0 "[ ]" 1
1390 1 92 GLU HA 1 95 ILE MG . . 6.120 3.832 3.832 3.832 . 0 0 "[ ]" 1
1391 1 92 GLU HA 1 96 ALA H . . 4.010 3.883 3.883 3.883 . 0 0 "[ ]" 1
1392 1 92 GLU HB3 1 93 ASP H . . 3.300 3.524 3.524 3.524 0.224 1 0 "[ ]" 1
1393 1 92 GLU HG2 1 95 ILE MD . . 4.920 3.809 3.809 3.809 . 0 0 "[ ]" 1
1394 1 93 ASP H 1 93 ASP HB2 . . 3.140 2.364 2.364 2.364 . 0 0 "[ ]" 1
1395 1 93 ASP H 1 93 ASP HB3 . . 3.450 3.490 3.490 3.490 0.040 1 0 "[ ]" 1
1396 1 93 ASP H 1 94 LEU H . . 3.170 2.811 2.811 2.811 . 0 0 "[ ]" 1
1397 1 93 ASP H 1 94 LEU HB3 . . 4.850 4.809 4.809 4.809 . 0 0 "[ ]" 1
1398 1 93 ASP HA 1 93 ASP HB3 . . 2.900 2.514 2.514 2.514 . 0 0 "[ ]" 1
1399 1 93 ASP HA 1 96 ALA H . . 4.010 3.767 3.767 3.767 . 0 0 "[ ]" 1
1400 1 93 ASP HA 1 96 ALA MB . . 4.080 2.841 2.841 2.841 . 0 0 "[ ]" 1
1401 1 93 ASP HB2 1 94 LEU H . . 3.450 2.287 2.287 2.287 . 0 0 "[ ]" 1
1402 1 93 ASP HB3 1 94 LEU H . . 3.420 3.267 3.267 3.267 . 0 0 "[ ]" 1
1403 1 94 LEU H 1 94 LEU HB2 . . 2.990 2.357 2.357 2.357 . 0 0 "[ ]" 1
1404 1 94 LEU H 1 94 LEU HB3 . . 2.900 2.528 2.528 2.528 . 0 0 "[ ]" 1
1405 1 94 LEU H 1 94 LEU MD1 . . 5.570 4.019 4.019 4.019 . 0 0 "[ ]" 1
1406 1 94 LEU H 1 94 LEU HG . . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
1407 1 94 LEU H 1 95 ILE H . . 3.240 2.937 2.937 2.937 . 0 0 "[ ]" 1
1408 1 94 LEU H 1 96 ALA H . . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
1409 1 94 LEU HA 1 94 LEU MD1 . . 3.580 2.150 2.150 2.150 . 0 0 "[ ]" 1
1410 1 94 LEU HA 1 95 ILE H . . 4.320 3.587 3.587 3.587 . 0 0 "[ ]" 1
1411 1 94 LEU HA 1 97 TYR H . . 4.110 3.526 3.526 3.526 . 0 0 "[ ]" 1
1412 1 94 LEU HA 1 97 TYR HB2 . . 4.070 4.029 4.029 4.029 . 0 0 "[ ]" 1
1413 1 94 LEU HA 1 97 TYR HB3 . . 3.700 2.730 2.730 2.730 . 0 0 "[ ]" 1
1414 1 94 LEU HA 1 98 LEU H . . 5.500 4.022 4.022 4.022 . 0 0 "[ ]" 1
1415 1 94 LEU HB2 1 95 ILE H . . 3.330 3.743 3.743 3.743 0.413 1 0 "[ ]" 1
1416 1 94 LEU HB3 1 94 LEU HG . . 2.830 2.511 2.511 2.511 . 0 0 "[ ]" 1
1417 1 94 LEU HB3 1 98 LEU MD1 . . 5.100 4.304 4.304 4.304 . 0 0 "[ ]" 1
1418 1 94 LEU MD1 1 95 ILE H . . 6.530 4.486 4.486 4.486 . 0 0 "[ ]" 1
1419 1 94 LEU MD1 1 95 ILE HA . . 6.530 4.852 4.852 4.852 . 0 0 "[ ]" 1
1420 1 94 LEU MD1 1 97 TYR H . . 6.530 4.732 4.732 4.732 . 0 0 "[ ]" 1
1421 1 94 LEU MD1 1 97 TYR QD . . 4.760 2.312 2.312 2.312 . 0 0 "[ ]" 1
1422 1 94 LEU MD1 1 98 LEU H . . 5.160 4.010 4.010 4.010 . 0 0 "[ ]" 1
1423 1 94 LEU MD1 1 98 LEU MD1 . . 5.790 3.551 3.551 3.551 . 0 0 "[ ]" 1
1424 1 94 LEU MD2 1 95 ILE H . . 6.530 3.994 3.994 3.994 . 0 0 "[ ]" 1
1425 1 94 LEU MD2 1 98 LEU MD1 . . 5.420 3.136 3.136 3.136 . 0 0 "[ ]" 1
1426 1 94 LEU HG 1 95 ILE H . . 5.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
1427 1 94 LEU HG 1 95 ILE HA . . 5.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
1428 1 94 LEU HG 1 98 LEU MD1 . . 3.990 2.635 2.635 2.635 . 0 0 "[ ]" 1
1429 1 95 ILE H 1 95 ILE HB . . 2.740 2.319 2.319 2.319 . 0 0 "[ ]" 1
1430 1 95 ILE H 1 95 ILE MD . . 4.760 3.202 3.202 3.202 . 0 0 "[ ]" 1
1431 1 95 ILE H 1 95 ILE HG12 . . 4.170 3.667 3.667 3.667 . 0 0 "[ ]" 1
1432 1 95 ILE H 1 95 ILE HG13 . . 2.830 2.266 2.266 2.266 . 0 0 "[ ]" 1
1433 1 95 ILE H 1 96 ALA H . . 3.210 2.819 2.819 2.819 . 0 0 "[ ]" 1
1434 1 95 ILE H 1 96 ALA MB . . 5.940 4.455 4.455 4.455 . 0 0 "[ ]" 1
1435 1 95 ILE H 1 98 LEU H . . 5.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
1436 1 95 ILE HA 1 95 ILE MD . . 4.760 3.820 3.820 3.820 . 0 0 "[ ]" 1
1437 1 95 ILE HA 1 95 ILE HG12 . . 3.330 2.595 2.595 2.595 . 0 0 "[ ]" 1
1438 1 95 ILE HA 1 95 ILE HG13 . . 3.360 2.650 2.650 2.650 . 0 0 "[ ]" 1
1439 1 95 ILE HA 1 95 ILE MG . . 3.550 2.557 2.557 2.557 . 0 0 "[ ]" 1
1440 1 95 ILE HA 1 96 ALA H . . 4.140 3.593 3.593 3.593 . 0 0 "[ ]" 1
1441 1 95 ILE HA 1 98 LEU H . . 3.790 3.270 3.270 3.270 . 0 0 "[ ]" 1
1442 1 95 ILE HA 1 98 LEU MD1 . . 3.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
1443 1 95 ILE HA 1 98 LEU MD2 . . 6.530 4.374 4.374 4.374 . 0 0 "[ ]" 1
1444 1 95 ILE HA 1 99 LYS H . . 4.690 3.920 3.920 3.920 . 0 0 "[ ]" 1
1445 1 95 ILE HB 1 95 ILE MD . . 3.430 2.275 2.275 2.275 . 0 0 "[ ]" 1
1446 1 95 ILE HB 1 95 ILE HG13 . . 2.900 2.623 2.623 2.623 . 0 0 "[ ]" 1
1447 1 95 ILE HB 1 96 ALA H . . 3.170 2.695 2.695 2.695 . 0 0 "[ ]" 1
1448 1 95 ILE MD 1 96 ALA H . . 6.530 4.519 4.519 4.519 . 0 0 "[ ]" 1
1449 1 95 ILE MG 1 96 ALA H . . 4.760 3.254 3.254 3.254 . 0 0 "[ ]" 1
1450 1 95 ILE MG 1 96 ALA HA . . 4.700 3.479 3.479 3.479 . 0 0 "[ ]" 1
1451 1 95 ILE MG 1 97 TYR H . . 6.500 5.107 5.107 5.107 . 0 0 "[ ]" 1
1452 1 95 ILE MG 1 98 LEU H . . 6.310 4.802 4.802 4.802 . 0 0 "[ ]" 1
1453 1 95 ILE MG 1 99 LYS H . . 4.920 3.994 3.994 3.994 . 0 0 "[ ]" 1
1454 1 96 ALA H 1 96 ALA HA . . 2.960 2.826 2.826 2.826 . 0 0 "[ ]" 1
1455 1 96 ALA H 1 96 ALA MB . . 3.430 2.245 2.245 2.245 . 0 0 "[ ]" 1
1456 1 96 ALA H 1 97 TYR H . . 3.610 2.847 2.847 2.847 . 0 0 "[ ]" 1
1457 1 96 ALA H 1 97 TYR HB3 . . 5.500 4.835 4.835 4.835 . 0 0 "[ ]" 1
1458 1 96 ALA H 1 99 LYS H . . 5.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
1459 1 96 ALA HA 1 97 TYR H . . 4.070 3.625 3.625 3.625 . 0 0 "[ ]" 1
1460 1 96 ALA HA 1 98 LEU H . . 5.500 4.790 4.790 4.790 . 0 0 "[ ]" 1
1461 1 96 ALA HA 1 99 LYS H . . 3.760 3.599 3.599 3.599 . 0 0 "[ ]" 1
1462 1 96 ALA HA 1 99 LYS QB . . 4.640 2.580 2.580 2.580 . 0 0 "[ ]" 1
1463 1 96 ALA HA 1 100 LYS H . . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
1464 1 96 ALA MB 1 97 TYR H . . 3.680 2.490 2.490 2.490 . 0 0 "[ ]" 1
1465 1 96 ALA MB 1 99 LYS H . . 6.530 4.722 4.722 4.722 . 0 0 "[ ]" 1
1466 1 97 TYR H 1 97 TYR HB2 . . 3.020 2.893 2.893 2.893 . 0 0 "[ ]" 1
1467 1 97 TYR H 1 97 TYR HB3 . . 2.900 2.321 2.321 2.321 . 0 0 "[ ]" 1
1468 1 97 TYR H 1 97 TYR QD . . 5.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
1469 1 97 TYR H 1 98 LEU H . . 3.140 2.903 2.903 2.903 . 0 0 "[ ]" 1
1470 1 97 TYR H 1 99 LYS H . . 5.500 4.281 4.281 4.281 . 0 0 "[ ]" 1
1471 1 97 TYR HA 1 97 TYR QD . . 4.290 2.445 2.445 2.445 . 0 0 "[ ]" 1
1472 1 97 TYR HA 1 98 LEU H . . 4.850 3.622 3.622 3.622 . 0 0 "[ ]" 1
1473 1 97 TYR HA 1 100 LYS H . . 4.850 3.415 3.415 3.415 . 0 0 "[ ]" 1
1474 1 97 TYR HA 1 101 ALA H . . 5.160 3.931 3.931 3.931 . 0 0 "[ ]" 1
1475 1 97 TYR HB2 1 98 LEU H . . 3.890 3.940 3.940 3.940 0.050 1 0 "[ ]" 1
1476 1 97 TYR HB3 1 97 TYR QD . . 3.480 2.340 2.340 2.340 . 0 0 "[ ]" 1
1477 1 97 TYR HB3 1 98 LEU H . . 3.360 2.607 2.607 2.607 . 0 0 "[ ]" 1
1478 1 97 TYR QD 1 98 LEU H . . 5.500 3.183 3.183 3.183 . 0 0 "[ ]" 1
1479 1 97 TYR QD 1 98 LEU HA . . 4.230 3.649 3.649 3.649 . 0 0 "[ ]" 1
1480 1 97 TYR QD 1 98 LEU MD2 . . 6.120 2.781 2.781 2.781 . 0 0 "[ ]" 1
1481 1 97 TYR QD 1 98 LEU HG . . 3.760 3.309 3.309 3.309 . 0 0 "[ ]" 1
1482 1 97 TYR QD 1 100 LYS QB . . 4.820 2.935 2.935 2.935 . 0 0 "[ ]" 1
1483 1 97 TYR QE 1 98 LEU MD2 . . 6.530 2.689 2.689 2.689 . 0 0 "[ ]" 1
1484 1 97 TYR QE 1 100 LYS QB . . 4.540 4.092 4.092 4.092 . 0 0 "[ ]" 1
1485 1 97 TYR QE 1 101 ALA MB . . 4.700 2.414 2.414 2.414 . 0 0 "[ ]" 1
1486 1 98 LEU H 1 98 LEU HB2 . . 2.960 2.808 2.808 2.808 . 0 0 "[ ]" 1
1487 1 98 LEU H 1 98 LEU HB3 . . 3.760 3.708 3.708 3.708 . 0 0 "[ ]" 1
1488 1 98 LEU H 1 98 LEU MD1 . . 5.190 3.651 3.651 3.651 . 0 0 "[ ]" 1
1489 1 98 LEU H 1 98 LEU MD2 . . 5.260 3.253 3.253 3.253 . 0 0 "[ ]" 1
1490 1 98 LEU H 1 98 LEU HG . . 2.860 2.170 2.170 2.170 . 0 0 "[ ]" 1
1491 1 98 LEU H 1 99 LYS H . . 3.170 2.899 2.899 2.899 . 0 0 "[ ]" 1
1492 1 98 LEU H 1 100 LYS H . . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
1493 1 98 LEU H 1 102 THR MG . . 6.530 5.455 5.455 5.455 . 0 0 "[ ]" 1
1494 1 98 LEU HA 1 98 LEU HB2 . . 3.020 3.046 3.046 3.046 0.026 1 0 "[ ]" 1
1495 1 98 LEU HA 1 98 LEU HB3 . . 3.020 2.477 2.477 2.477 . 0 0 "[ ]" 1
1496 1 98 LEU HA 1 98 LEU MD1 . . 4.760 3.977 3.977 3.977 . 0 0 "[ ]" 1
1497 1 98 LEU HA 1 98 LEU MD2 . . 3.430 2.372 2.372 2.372 . 0 0 "[ ]" 1
1498 1 98 LEU HA 1 98 LEU HG . . 3.390 3.220 3.220 3.220 . 0 0 "[ ]" 1
1499 1 98 LEU HA 1 99 LYS H . . 4.350 3.563 3.563 3.563 . 0 0 "[ ]" 1
1500 1 98 LEU HA 1 100 LYS H . . 4.290 4.249 4.249 4.249 . 0 0 "[ ]" 1
1501 1 98 LEU HA 1 101 ALA H . . 3.760 3.120 3.120 3.120 . 0 0 "[ ]" 1
1502 1 98 LEU HA 1 101 ALA MB . . 3.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
1503 1 98 LEU HA 1 102 THR H . . 3.980 3.467 3.467 3.467 . 0 0 "[ ]" 1
1504 1 98 LEU HA 1 102 THR MG . . 4.020 3.271 3.271 3.271 . 0 0 "[ ]" 1
1505 1 98 LEU HB2 1 98 LEU MD1 . . 3.460 2.251 2.251 2.251 . 0 0 "[ ]" 1
1506 1 98 LEU HB2 1 98 LEU HG . . 2.650 2.534 2.534 2.534 . 0 0 "[ ]" 1
1507 1 98 LEU HB2 1 99 LYS H . . 3.360 2.695 2.695 2.695 . 0 0 "[ ]" 1
1508 1 98 LEU HB3 1 98 LEU MD1 . . 3.520 2.420 2.420 2.420 . 0 0 "[ ]" 1
1509 1 98 LEU HB3 1 99 LYS H . . 4.170 3.811 3.811 3.811 . 0 0 "[ ]" 1
1510 1 98 LEU MD1 1 99 LYS H . . 6.530 4.448 4.448 4.448 . 0 0 "[ ]" 1
1511 1 98 LEU MD2 1 99 LYS H . . 6.530 4.832 4.832 4.832 . 0 0 "[ ]" 1
1512 1 99 LYS H 1 99 LYS QG . . 2.900 3.382 3.382 3.382 0.482 1 0 "[ ]" 1
1513 1 99 LYS H 1 100 LYS H . . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1
1514 1 99 LYS H 1 100 LYS QB . . 4.690 4.448 4.448 4.448 . 0 0 "[ ]" 1
1515 1 99 LYS H 1 100 LYS QG . . 5.500 5.716 5.716 5.716 0.216 1 0 "[ ]" 1
1516 1 99 LYS H 1 101 ALA H . . 4.690 4.305 4.305 4.305 . 0 0 "[ ]" 1
1517 1 99 LYS H 1 102 THR MG . . 6.530 5.038 5.038 5.038 . 0 0 "[ ]" 1
1518 1 99 LYS HA 1 99 LYS QD . . 5.010 3.973 3.973 3.973 . 0 0 "[ ]" 1
1519 1 99 LYS HA 1 99 LYS QG . . 2.680 2.201 2.201 2.201 . 0 0 "[ ]" 1
1520 1 99 LYS HA 1 100 LYS H . . 4.380 3.547 3.547 3.547 . 0 0 "[ ]" 1
1521 1 99 LYS HA 1 102 THR H . . 5.100 4.172 4.172 4.172 . 0 0 "[ ]" 1
1522 1 99 LYS HA 1 103 ASN HD22 . . 5.500 4.183 4.183 4.183 . 0 0 "[ ]" 1
1523 1 99 LYS QB 1 100 LYS H . . 4.830 2.625 2.625 2.625 . 0 0 "[ ]" 1
1524 1 99 LYS QG 1 100 LYS H . . 4.910 4.379 4.379 4.379 . 0 0 "[ ]" 1
1525 1 100 LYS H 1 100 LYS QB . . 3.170 2.064 2.064 2.064 . 0 0 "[ ]" 1
1526 1 100 LYS H 1 101 ALA H . . 3.050 2.734 2.734 2.734 . 0 0 "[ ]" 1
1527 1 100 LYS H 1 101 ALA MB . . 5.410 4.246 4.246 4.246 . 0 0 "[ ]" 1
1528 1 100 LYS H 1 102 THR H . . 5.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
1529 1 100 LYS HA 1 100 LYS QG . . 3.390 2.296 2.296 2.296 . 0 0 "[ ]" 1
1530 1 100 LYS HA 1 101 ALA H . . 3.950 3.604 3.604 3.604 . 0 0 "[ ]" 1
1531 1 100 LYS HA 1 103 ASN H . . 4.820 3.806 3.806 3.806 . 0 0 "[ ]" 1
1532 1 100 LYS QB 1 101 ALA H . . 3.240 2.467 2.467 2.467 . 0 0 "[ ]" 1
1533 1 100 LYS QD 1 101 ALA H . . 6.380 4.203 4.203 4.203 . 0 0 "[ ]" 1
1534 1 100 LYS QG 1 101 ALA H . . 5.500 4.368 4.368 4.368 . 0 0 "[ ]" 1
1535 1 101 ALA H 1 101 ALA MB . . 3.430 2.030 2.030 2.030 . 0 0 "[ ]" 1
1536 1 101 ALA H 1 102 THR H . . 3.270 2.973 2.973 2.973 . 0 0 "[ ]" 1
1537 1 101 ALA H 1 102 THR MG . . 5.660 4.483 4.483 4.483 . 0 0 "[ ]" 1
1538 1 101 ALA H 1 103 ASN H . . 5.190 4.246 4.246 4.246 . 0 0 "[ ]" 1
1539 1 101 ALA HA 1 102 THR H . . 3.580 3.575 3.575 3.575 . 0 0 "[ ]" 1
1540 1 101 ALA HA 1 102 THR HA . . 5.040 4.700 4.700 4.700 . 0 0 "[ ]" 1
1541 1 101 ALA HA 1 102 THR MG . . 6.310 4.879 4.879 4.879 . 0 0 "[ ]" 1
1542 1 101 ALA HA 1 103 ASN H . . 4.420 4.090 4.090 4.090 . 0 0 "[ ]" 1
1543 1 101 ALA HA 1 104 GLU H . . 4.790 3.499 3.499 3.499 . 0 0 "[ ]" 1
1544 1 101 ALA MB 1 102 THR H . . 4.050 2.485 2.485 2.485 . 0 0 "[ ]" 1
1545 1 101 ALA MB 1 102 THR HA . . 6.340 3.659 3.659 3.659 . 0 0 "[ ]" 1
1546 1 101 ALA MB 1 103 ASN H . . 5.600 4.328 4.328 4.328 . 0 0 "[ ]" 1
1547 1 102 THR H 1 102 THR HB . . 3.830 3.612 3.612 3.612 . 0 0 "[ ]" 1
1548 1 102 THR H 1 102 THR MG . . 3.430 2.321 2.321 2.321 . 0 0 "[ ]" 1
1549 1 102 THR H 1 103 ASN H . . 3.050 2.670 2.670 2.670 . 0 0 "[ ]" 1
1550 1 102 THR H 1 104 GLU H . . 4.040 4.054 4.054 4.054 0.014 1 0 "[ ]" 1
1551 1 102 THR HA 1 103 ASN H . . 4.230 3.481 3.481 3.481 . 0 0 "[ ]" 1
1552 1 103 ASN H 1 103 ASN HB2 . . 3.390 2.253 2.253 2.253 . 0 0 "[ ]" 1
1553 1 103 ASN H 1 103 ASN HB3 . . 3.170 3.479 3.479 3.479 0.309 1 0 "[ ]" 1
1554 1 103 ASN H 1 103 ASN HD21 . . 3.050 2.892 2.892 2.892 . 0 0 "[ ]" 1
1555 1 103 ASN H 1 103 ASN HD22 . . 5.500 4.365 4.365 4.365 . 0 0 "[ ]" 1
1556 1 103 ASN H 1 104 GLU H . . 2.960 2.041 2.041 2.041 . 0 0 "[ ]" 1
1557 1 103 ASN H 1 104 GLU QG . . 6.380 5.671 5.671 5.671 . 0 0 "[ ]" 1
1558 1 103 ASN HA 1 103 ASN HD22 . . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
1559 1 103 ASN HA 1 104 GLU H . . 3.730 3.521 3.521 3.521 . 0 0 "[ ]" 1
1560 1 103 ASN HB2 1 104 GLU H . . 4.010 2.762 2.762 2.762 . 0 0 "[ ]" 1
1561 1 103 ASN HB3 1 103 ASN HD22 . . 4.040 4.088 4.088 4.088 0.048 1 0 "[ ]" 1
1562 1 103 ASN HB3 1 104 GLU H . . 5.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
1563 1 104 GLU H 1 104 GLU HB2 . . 3.640 3.082 3.082 3.082 . 0 0 "[ ]" 1
1564 1 104 GLU H 1 104 GLU HB3 . . 3.580 3.743 3.743 3.743 0.163 1 0 "[ ]" 1
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