NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534719 |
2lq3   |
18290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq3
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 1064
_Distance_constraint_stats_list.Viol_count 1531
_Distance_constraint_stats_list.Viol_total 3596.975
_Distance_constraint_stats_list.Viol_max 0.977
_Distance_constraint_stats_list.Viol_rms 0.0408
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.1175
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.786 0.335 18 0 "[ . 1 . 2]"
1 6 ASN 1.677 0.335 18 0 "[ . 1 . 2]"
1 7 VAL 1.025 0.136 7 0 "[ . 1 . 2]"
1 8 LEU 7.307 0.474 17 0 "[ . 1 . 2]"
1 9 GLY 2.474 0.187 9 0 "[ . 1 . 2]"
1 10 GLN 3.098 0.191 6 0 "[ . 1 . 2]"
1 11 ASP 2.193 0.191 6 0 "[ . 1 . 2]"
1 12 LEU 0.511 0.176 6 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 1.330 0.207 16 0 "[ . 1 . 2]"
1 15 CYS 1.333 0.217 7 0 "[ . 1 . 2]"
1 16 CYS 2.043 0.257 9 0 "[ . 1 . 2]"
1 17 CYS 0.385 0.257 9 0 "[ . 1 . 2]"
1 18 ALA 0.349 0.127 9 0 "[ . 1 . 2]"
1 19 PRO 0.502 0.161 6 0 "[ . 1 . 2]"
1 20 MET 0.337 0.161 6 0 "[ . 1 . 2]"
1 21 THR 0.477 0.108 17 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.055 0.055 20 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 1.174 0.224 3 0 "[ . 1 . 2]"
1 27 GLY 0.753 0.224 3 0 "[ . 1 . 2]"
1 28 PHE 3.470 0.249 4 0 "[ . 1 . 2]"
1 29 CYS 0.697 0.158 5 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 THR 1.326 0.492 14 0 "[ . 1 . 2]"
1 32 ASP 0.970 0.492 14 0 "[ . 1 . 2]"
1 33 VAL 0.566 0.182 16 0 "[ . 1 . 2]"
1 34 GLN 1.608 0.222 15 0 "[ . 1 . 2]"
1 35 ASP 0.624 0.222 15 0 "[ . 1 . 2]"
1 36 ARG 0.145 0.145 3 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 3.446 0.280 20 0 "[ . 1 . 2]"
1 41 VAL 2.722 0.307 1 0 "[ . 1 . 2]"
1 42 CYS 1.017 0.178 8 0 "[ . 1 . 2]"
1 43 ALA 6.116 0.251 7 0 "[ . 1 . 2]"
1 44 GLU 10.052 0.354 20 0 "[ . 1 . 2]"
1 45 MET 8.376 0.303 15 0 "[ . 1 . 2]"
1 46 THR 4.831 0.251 19 0 "[ . 1 . 2]"
1 47 GLU 4.802 0.252 13 0 "[ . 1 . 2]"
1 48 GLU 3.588 0.179 18 0 "[ . 1 . 2]"
1 49 PHE 1.957 0.152 4 0 "[ . 1 . 2]"
1 50 LEU 6.583 0.352 2 0 "[ . 1 . 2]"
1 51 LEU 3.797 0.252 13 0 "[ . 1 . 2]"
1 52 PHE 2.828 0.334 15 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.335 0.082 3 0 "[ . 1 . 2]"
1 55 ASP 0.045 0.042 5 0 "[ . 1 . 2]"
1 56 ARG 0.236 0.099 7 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 0.348 0.099 7 0 "[ . 1 . 2]"
1 59 ASP 0.099 0.069 9 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 MET 0.754 0.269 5 0 "[ . 1 . 2]"
1 62 THR 0.678 0.123 3 0 "[ . 1 . 2]"
1 63 PRO 0.351 0.109 11 0 "[ . 1 . 2]"
1 64 ARG 0.709 0.156 11 0 "[ . 1 . 2]"
1 65 PRO 1.235 0.188 14 0 "[ . 1 . 2]"
1 66 GLU 1.438 0.240 13 0 "[ . 1 . 2]"
1 67 PHE 1.173 0.240 13 0 "[ . 1 . 2]"
1 68 ASN 0.638 0.160 19 0 "[ . 1 . 2]"
1 69 PHE 0.151 0.139 1 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 1.056 0.187 20 0 "[ . 1 . 2]"
1 73 LYS 1.811 0.175 6 0 "[ . 1 . 2]"
1 74 ALA 3.060 0.303 15 0 "[ . 1 . 2]"
1 75 GLY 2.967 0.229 3 0 "[ . 1 . 2]"
1 76 ASP 1.273 0.187 20 0 "[ . 1 . 2]"
1 77 ARG 1.285 0.197 8 0 "[ . 1 . 2]"
1 78 TRP 1.557 0.225 13 0 "[ . 1 . 2]"
1 80 LEU 10.568 0.359 20 0 "[ . 1 . 2]"
1 82 ALA 0.493 0.114 11 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.066 0.057 8 0 "[ . 1 . 2]"
1 85 TRP 13.629 0.359 20 0 "[ . 1 . 2]"
1 86 GLN 14.021 0.977 19 4 "[ - * 1 .* +2]"
1 87 GLU 1.474 0.236 5 0 "[ . 1 . 2]"
1 88 ALA 6.109 0.334 15 0 "[ . 1 . 2]"
1 89 PHE 0.470 0.107 14 0 "[ . 1 . 2]"
1 90 GLU 0.629 0.107 14 0 "[ . 1 . 2]"
1 91 ALA 0.037 0.037 16 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 MET 1.745 0.214 3 0 "[ . 1 . 2]"
1 94 ALA 2.681 0.237 8 0 "[ . 1 . 2]"
1 96 PRO 0.195 0.051 3 0 "[ . 1 . 2]"
1 97 VAL 10.903 0.344 12 0 "[ . 1 . 2]"
1 98 VAL 5.758 0.527 2 1 "[ + . 1 . 2]"
1 99 LEU 4.051 0.203 13 0 "[ . 1 . 2]"
1 100 GLN 1.302 0.180 10 0 "[ . 1 . 2]"
1 101 SER 0.214 0.135 11 0 "[ . 1 . 2]"
1 102 THR 4.063 0.527 2 1 "[ + . 1 . 2]"
1 103 GLU 1.530 0.260 11 0 "[ . 1 . 2]"
1 104 LYS 1.155 0.214 12 0 "[ . 1 . 2]"
1 105 SER 2.989 0.280 20 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 3.142 0.183 8 0 "[ . 1 . 2]"
1 108 ARG 6.916 0.742 7 2 "[- . + 1 . 2]"
1 109 TYR 5.212 0.453 11 0 "[ . 1 . 2]"
1 110 VAL 34.660 0.977 19 7 "[* - * 1 * .** +2]"
1 111 SER 6.861 0.423 15 0 "[ . 1 . 2]"
1 112 LEU 14.978 0.467 5 0 "[ . 1 . 2]"
1 113 ALA 3.715 0.212 17 0 "[ . 1 . 2]"
1 114 ASP 4.563 0.799 17 2 "[ . 1 - . + 2]"
1 115 LEU 22.174 0.467 5 0 "[ . 1 . 2]"
1 116 GLN 9.614 0.336 4 0 "[ . 1 . 2]"
1 117 ALA 5.372 0.320 15 0 "[ . 1 . 2]"
1 118 HIS 0.280 0.137 17 0 "[ . 1 . 2]"
1 119 ALA 1.794 0.176 4 0 "[ . 1 . 2]"
1 120 LEU 5.838 0.948 20 1 "[ . 1 . +]"
1 121 PRO 5.399 0.948 20 1 "[ . 1 . +]"
1 122 VAL 1.118 0.194 9 0 "[ . 1 . 2]"
1 123 LEU 4.485 0.282 19 0 "[ . 1 . 2]"
1 124 GLU 2.318 0.232 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 3 GLN QG 3.790 . 3.790 2.712 2.399 3.398 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN HB3 1 4 GLY H 6.300 . 6.300 3.997 2.781 4.527 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLY HA2 1 5 GLN H 3.850 . 3.850 2.477 2.168 3.049 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLY HA3 1 5 GLN H 3.830 . 3.830 2.875 2.211 3.413 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLN H 1 5 GLN HB3 4.080 . 4.080 3.330 2.385 3.802 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLN H 1 5 GLN HG3 5.100 . 5.100 3.774 2.719 4.772 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLN HA 1 6 ASN H 3.410 . 3.410 2.244 2.070 2.478 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLN HA 1 6 ASN HA 6.270 . 6.270 4.476 4.367 4.608 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLN HB2 1 6 ASN H 5.630 . 5.630 3.777 2.322 4.413 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLN HB3 1 6 ASN H 4.250 . 4.250 3.616 2.345 4.293 0.043 14 0 "[ . 1 . 2]" 1
11 1 5 GLN HG3 1 6 ASN H 4.680 . 4.680 4.084 2.870 5.015 0.335 18 0 "[ . 1 . 2]" 1
12 1 6 ASN H 1 8 LEU H 4.890 . 4.890 4.412 3.042 5.058 0.168 4 0 "[ . 1 . 2]" 1
13 1 6 ASN H 1 9 GLY H 6.170 . 6.170 4.833 3.808 6.202 0.032 20 0 "[ . 1 . 2]" 1
14 1 6 ASN HA 1 7 VAL H 4.210 . 4.210 2.364 2.114 2.753 . 0 0 "[ . 1 . 2]" 1
15 1 6 ASN HA 1 7 VAL HA 6.300 . 6.300 4.394 4.299 4.547 . 0 0 "[ . 1 . 2]" 1
16 1 6 ASN HA 1 7 VAL MG1 5.640 . 5.640 4.250 3.238 5.732 0.092 3 0 "[ . 1 . 2]" 1
17 1 6 ASN HA 1 7 VAL MG2 6.060 . 6.060 4.130 3.128 4.774 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASN HA 1 8 LEU H 5.420 . 5.420 4.117 3.460 4.984 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASN HB2 1 7 VAL H 3.980 . 3.980 3.453 1.977 4.116 0.136 7 0 "[ . 1 . 2]" 1
20 1 6 ASN HB3 1 7 VAL H 4.550 . 4.550 3.286 2.015 4.458 . 0 0 "[ . 1 . 2]" 1
21 1 7 VAL H 1 7 VAL MG1 4.240 . 4.240 2.751 1.858 4.029 . 0 0 "[ . 1 . 2]" 1
22 1 7 VAL H 1 7 VAL MG2 3.490 . 3.490 2.507 2.113 2.868 . 0 0 "[ . 1 . 2]" 1
23 1 7 VAL H 1 8 LEU H . . 4.050 2.738 1.976 3.681 . 0 0 "[ . 1 . 2]" 1
24 1 7 VAL H 1 8 LEU HB3 6.220 . 6.220 5.696 4.570 6.228 0.008 8 0 "[ . 1 . 2]" 1
25 1 7 VAL H 1 8 LEU MD2 5.120 . 5.120 4.489 2.979 5.230 0.110 16 0 "[ . 1 . 2]" 1
26 1 7 VAL H 1 9 GLY H 4.960 . 4.960 4.350 2.784 5.084 0.124 11 0 "[ . 1 . 2]" 1
27 1 7 VAL HA 1 8 LEU HA 5.960 . 5.960 4.812 4.491 4.971 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL HA 1 9 GLY H 5.330 . 5.330 4.138 3.229 5.403 0.073 2 0 "[ . 1 . 2]" 1
29 1 7 VAL MG2 1 8 LEU H 4.660 . 4.660 3.180 1.875 4.452 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL MG2 1 8 LEU HA 5.920 . 5.920 4.014 2.723 5.735 . 0 0 "[ . 1 . 2]" 1
31 1 7 VAL MG2 1 8 LEU HB3 5.970 . 5.970 4.848 3.296 5.997 0.027 20 0 "[ . 1 . 2]" 1
32 1 7 VAL MG2 1 9 GLY H 6.300 . 6.300 4.875 3.806 5.691 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 8 LEU MD1 3.650 . 3.650 3.294 1.554 3.845 0.195 11 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 8 LEU MD2 4.830 . 4.830 2.970 1.778 4.142 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 8 LEU HG 3.860 . 3.860 2.639 1.860 4.016 0.156 20 0 "[ . 1 . 2]" 1
36 1 8 LEU H 1 9 GLY H . . 3.630 2.561 2.001 2.865 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU H 1 9 GLY HA2 5.180 . 5.180 5.042 4.346 5.367 0.187 9 0 "[ . 1 . 2]" 1
38 1 8 LEU HA 1 8 LEU MD1 3.630 . 3.630 3.758 2.176 4.104 0.474 17 0 "[ . 1 . 2]" 1
39 1 8 LEU HA 1 8 LEU MD2 4.760 . 4.760 2.979 2.089 4.141 . 0 0 "[ . 1 . 2]" 1
40 1 8 LEU HA 1 9 GLY H 4.640 . 4.640 3.470 3.207 3.605 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU HA 1 9 GLY HA3 5.950 . 5.950 5.059 4.565 5.410 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU HB2 1 8 LEU MD2 3.480 . 3.480 3.014 2.351 3.283 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU HB2 1 9 GLY H 4.920 . 4.920 3.329 2.132 4.382 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU MD1 1 9 GLY H 4.780 . 4.780 4.127 2.489 4.920 0.140 6 0 "[ . 1 . 2]" 1
45 1 8 LEU HG 1 9 GLY H 5.210 . 5.210 4.067 2.013 5.255 0.045 8 0 "[ . 1 . 2]" 1
46 1 9 GLY H 1 10 GLN H . . 3.660 3.304 2.467 3.786 0.126 8 0 "[ . 1 . 2]" 1
47 1 9 GLY H 1 10 GLN HB3 5.890 . 5.890 5.376 3.736 6.077 0.187 9 0 "[ . 1 . 2]" 1
48 1 9 GLY HA2 1 10 GLN H 4.540 . 4.540 3.039 2.238 3.612 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLY HA2 1 10 GLN HA 5.890 . 5.890 4.581 4.329 4.854 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLY HA2 1 10 GLN HB3 5.850 . 5.850 4.976 4.527 5.761 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLY HA3 1 10 GLN H 4.970 . 4.970 3.006 2.175 3.579 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLY HA3 1 10 GLN HB3 6.060 . 6.060 4.789 4.255 6.145 0.085 9 0 "[ . 1 . 2]" 1
53 1 9 GLY HA3 1 10 GLN HG3 6.080 . 6.080 5.560 4.452 6.170 0.090 11 0 "[ . 1 . 2]" 1
54 1 10 GLN H 1 10 GLN HG2 3.890 . 3.890 2.988 2.471 3.905 0.015 14 0 "[ . 1 . 2]" 1
55 1 10 GLN H 1 10 GLN HG3 5.120 . 5.120 3.343 2.300 4.472 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLN H 1 11 ASP H . . 4.780 3.649 1.828 4.439 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLN H 1 11 ASP HA 5.810 . 5.810 5.037 3.775 5.954 0.144 4 0 "[ . 1 . 2]" 1
58 1 10 GLN H 1 11 ASP QB 4.460 . 4.460 4.269 3.904 4.648 0.188 19 0 "[ . 1 . 2]" 1
59 1 10 GLN HA 1 11 ASP H 3.630 . 3.630 2.703 2.148 3.596 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLN HB2 1 11 ASP H 3.440 . 3.440 3.018 1.971 3.631 0.191 6 0 "[ . 1 . 2]" 1
61 1 10 GLN HB3 1 11 ASP H 4.970 . 4.970 3.861 2.390 4.357 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLN HG2 1 11 ASP H 5.130 . 5.130 4.088 2.628 5.207 0.077 12 0 "[ . 1 . 2]" 1
63 1 10 GLN HG3 1 11 ASP H 5.340 . 5.340 3.584 1.564 5.435 0.095 19 0 "[ . 1 . 2]" 1
64 1 11 ASP H 1 11 ASP QB 3.540 . 3.540 2.853 2.252 3.423 . 0 0 "[ . 1 . 2]" 1
65 1 11 ASP H 1 12 LEU H 5.160 . 5.160 3.739 1.742 4.660 . 0 0 "[ . 1 . 2]" 1
66 1 11 ASP HA 1 12 LEU H 3.460 . 3.460 2.636 2.202 3.554 0.094 6 0 "[ . 1 . 2]" 1
67 1 11 ASP QB 1 12 LEU H 4.430 . 4.430 3.319 1.960 4.075 . 0 0 "[ . 1 . 2]" 1
68 1 12 LEU H 1 12 LEU HB2 4.030 . 4.030 2.970 2.148 3.826 . 0 0 "[ . 1 . 2]" 1
69 1 12 LEU H 1 12 LEU HB3 3.850 . 3.850 3.398 2.551 4.026 0.176 6 0 "[ . 1 . 2]" 1
70 1 12 LEU HA 1 13 GLU H 3.690 . 3.690 2.673 2.146 3.589 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU HB3 1 13 GLU H 6.160 . 6.160 3.623 1.868 4.691 . 0 0 "[ . 1 . 2]" 1
72 1 13 GLU H 1 13 GLU HG2 4.400 . 4.400 3.149 2.046 4.323 . 0 0 "[ . 1 . 2]" 1
73 1 13 GLU H 1 13 GLU HG3 5.350 . 5.350 3.219 1.992 4.556 . 0 0 "[ . 1 . 2]" 1
74 1 13 GLU HA 1 14 VAL H 3.790 . 3.790 2.714 2.193 3.585 . 0 0 "[ . 1 . 2]" 1
75 1 13 GLU HA 1 14 VAL HB 5.580 . 5.580 4.853 4.170 5.415 . 0 0 "[ . 1 . 2]" 1
76 1 13 GLU HA 1 14 VAL MG1 5.340 . 5.340 4.258 3.489 5.176 . 0 0 "[ . 1 . 2]" 1
77 1 13 GLU QB 1 14 VAL H 4.080 . 4.080 2.817 1.882 3.936 . 0 0 "[ . 1 . 2]" 1
78 1 13 GLU HG2 1 14 VAL H 6.150 . 6.150 4.476 2.488 5.372 . 0 0 "[ . 1 . 2]" 1
79 1 13 GLU HG3 1 14 VAL H 6.100 . 6.100 4.587 2.455 6.052 . 0 0 "[ . 1 . 2]" 1
80 1 14 VAL H 1 14 VAL HB 3.580 . 3.580 2.996 2.536 3.569 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL H 1 14 VAL MG1 3.780 . 3.780 2.244 1.924 2.837 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL H 1 14 VAL MG2 4.510 . 4.510 3.941 3.812 4.163 . 0 0 "[ . 1 . 2]" 1
83 1 14 VAL HA 1 15 CYS H 3.890 . 3.890 2.330 2.128 3.652 . 0 0 "[ . 1 . 2]" 1
84 1 14 VAL HA 1 16 CYS H 6.140 . 6.140 4.358 3.404 6.087 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL HA 1 28 PHE HA 5.530 . 5.530 4.467 2.949 5.737 0.207 16 0 "[ . 1 . 2]" 1
86 1 14 VAL HA 1 28 PHE QD 6.220 . 6.220 4.581 2.327 6.253 0.033 1 0 "[ . 1 . 2]" 1
87 1 14 VAL HB 1 15 CYS H 5.460 . 5.460 4.149 3.886 4.424 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL MG1 1 15 CYS HA 6.300 . 6.300 4.202 3.265 4.680 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL MG1 1 16 CYS H 5.130 . 5.130 4.122 1.934 5.197 0.067 20 0 "[ . 1 . 2]" 1
90 1 14 VAL MG1 1 27 GLY HA2 5.620 . 5.620 4.839 4.012 5.755 0.135 1 0 "[ . 1 . 2]" 1
91 1 14 VAL MG1 1 27 GLY HA3 5.900 . 5.900 4.910 3.691 5.909 0.009 3 0 "[ . 1 . 2]" 1
92 1 14 VAL MG2 1 15 CYS H 4.200 . 4.200 2.540 1.643 3.305 . 0 0 "[ . 1 . 2]" 1
93 1 14 VAL MG2 1 15 CYS HA 6.300 . 6.300 3.978 3.486 4.302 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL MG2 1 15 CYS HB2 6.300 . 6.300 4.562 3.439 5.450 . 0 0 "[ . 1 . 2]" 1
95 1 14 VAL MG2 1 16 CYS H 4.500 . 4.500 2.590 1.623 4.319 . 0 0 "[ . 1 . 2]" 1
96 1 14 VAL MG2 1 16 CYS HA 4.680 . 4.680 3.901 3.000 4.845 0.165 3 0 "[ . 1 . 2]" 1
97 1 14 VAL MG2 1 27 GLY HA2 5.070 . 5.070 3.550 2.303 4.677 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL MG2 1 27 GLY HA3 5.160 . 5.160 3.675 1.867 5.143 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL MG2 1 28 PHE HA 5.330 . 5.330 3.262 1.941 4.976 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL MG2 1 28 PHE QD 5.270 . 5.270 3.527 1.671 4.919 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL MG2 1 29 CYS H 6.290 . 6.290 5.015 3.272 6.448 0.158 5 0 "[ . 1 . 2]" 1
102 1 15 CYS H 1 16 CYS H . . 4.130 2.704 1.833 4.130 . 0 0 "[ . 1 . 2]" 1
103 1 15 CYS H 1 28 PHE HA 4.550 . 4.550 3.959 2.276 4.767 0.217 7 0 "[ . 1 . 2]" 1
104 1 15 CYS HA 1 21 THR MG 6.300 . 6.300 4.511 2.445 6.298 . 0 0 "[ . 1 . 2]" 1
105 1 15 CYS HA 1 28 PHE HB2 6.300 . 6.300 5.217 2.955 6.369 0.069 1 0 "[ . 1 . 2]" 1
106 1 15 CYS HB2 1 16 CYS H 4.790 . 4.790 3.579 1.989 4.590 . 0 0 "[ . 1 . 2]" 1
107 1 15 CYS HB2 1 21 THR MG 5.460 . 5.460 3.769 2.005 5.562 0.102 16 0 "[ . 1 . 2]" 1
108 1 15 CYS HB3 1 16 CYS H 4.420 . 4.420 3.568 2.147 4.528 0.108 1 0 "[ . 1 . 2]" 1
109 1 15 CYS HB3 1 21 THR MG 4.880 . 4.880 3.577 1.873 4.988 0.108 17 0 "[ . 1 . 2]" 1
110 1 16 CYS H 1 21 THR MG 3.960 . 3.960 3.330 2.100 4.011 0.051 1 0 "[ . 1 . 2]" 1
111 1 16 CYS H 1 28 PHE HB3 5.040 . 5.040 4.541 3.137 5.251 0.211 6 0 "[ . 1 . 2]" 1
112 1 16 CYS HA 1 17 CYS H 3.970 . 3.970 2.647 2.135 3.613 . 0 0 "[ . 1 . 2]" 1
113 1 16 CYS HA 1 17 CYS HB3 6.300 . 6.300 5.413 4.376 6.557 0.257 9 0 "[ . 1 . 2]" 1
114 1 16 CYS HA 1 18 ALA H 4.560 . 4.560 4.271 3.778 4.637 0.077 16 0 "[ . 1 . 2]" 1
115 1 16 CYS HA 1 21 THR MG 5.080 . 5.080 3.918 2.025 5.120 0.040 6 0 "[ . 1 . 2]" 1
116 1 17 CYS H 1 18 ALA H . . 3.980 3.033 2.119 3.932 . 0 0 "[ . 1 . 2]" 1
117 1 17 CYS HA 1 18 ALA H 5.160 . 5.160 3.368 2.328 3.605 . 0 0 "[ . 1 . 2]" 1
118 1 17 CYS HB2 1 18 ALA H 6.300 . 6.300 3.633 2.021 4.611 . 0 0 "[ . 1 . 2]" 1
119 1 17 CYS HB3 1 18 ALA H 6.300 . 6.300 3.364 2.177 4.518 . 0 0 "[ . 1 . 2]" 1
120 1 18 ALA HA 1 19 PRO HD2 6.300 . 6.300 3.069 2.138 4.493 . 0 0 "[ . 1 . 2]" 1
121 1 18 ALA MB 1 19 PRO HB3 5.870 . 5.870 5.222 3.938 5.758 . 0 0 "[ . 1 . 2]" 1
122 1 18 ALA MB 1 19 PRO HG2 5.040 . 5.040 4.569 3.612 5.167 0.127 9 0 "[ . 1 . 2]" 1
123 1 19 PRO HA 1 20 MET H 3.580 . 3.580 2.786 2.138 3.629 0.049 18 0 "[ . 1 . 2]" 1
124 1 19 PRO HB2 1 20 MET H 4.230 . 4.230 3.272 2.281 4.277 0.047 13 0 "[ . 1 . 2]" 1
125 1 19 PRO HB3 1 20 MET H 4.410 . 4.410 3.787 2.673 4.571 0.161 6 0 "[ . 1 . 2]" 1
126 1 22 GLY H 1 23 TRP H 5.780 . 5.780 3.722 1.808 4.694 . 0 0 "[ . 1 . 2]" 1
127 1 22 GLY HA2 1 23 TRP H 4.330 . 4.330 3.088 2.164 3.572 . 0 0 "[ . 1 . 2]" 1
128 1 22 GLY HA3 1 23 TRP H 4.120 . 4.120 2.637 2.186 3.470 . 0 0 "[ . 1 . 2]" 1
129 1 23 TRP H 1 24 TYR H 4.910 . 4.910 3.358 1.987 4.443 . 0 0 "[ . 1 . 2]" 1
130 1 24 TYR H 1 25 ARG H 4.670 . 4.670 3.349 2.327 4.414 . 0 0 "[ . 1 . 2]" 1
131 1 24 TYR H 1 26 ASN H 6.300 . 6.300 5.377 3.706 6.355 0.055 20 0 "[ . 1 . 2]" 1
132 1 24 TYR HA 1 24 TYR QD 4.510 . 4.510 2.765 2.401 3.134 . 0 0 "[ . 1 . 2]" 1
133 1 25 ARG H 1 26 ASN H . . 4.800 3.280 2.163 4.492 . 0 0 "[ . 1 . 2]" 1
134 1 25 ARG HA 1 26 ASN H 4.590 . 4.590 3.252 2.167 3.609 . 0 0 "[ . 1 . 2]" 1
135 1 26 ASN H 1 27 GLY H 4.080 . 4.080 2.990 1.724 4.304 0.224 3 0 "[ . 1 . 2]" 1
136 1 26 ASN H 1 28 PHE H 4.850 . 4.850 4.413 3.234 5.024 0.174 18 0 "[ . 1 . 2]" 1
137 1 27 GLY H 1 28 PHE H . . 4.390 3.161 1.723 4.390 . 0 0 "[ . 1 . 2]" 1
138 1 27 GLY HA2 1 28 PHE H 5.110 . 5.110 3.134 2.182 3.599 . 0 0 "[ . 1 . 2]" 1
139 1 28 PHE H 1 28 PHE HB2 4.210 . 4.210 3.241 2.349 4.014 . 0 0 "[ . 1 . 2]" 1
140 1 28 PHE H 1 28 PHE QD 4.210 . 4.210 3.426 2.140 4.459 0.249 4 0 "[ . 1 . 2]" 1
141 1 28 PHE HA 1 29 CYS H 4.240 . 4.240 2.723 2.158 3.591 . 0 0 "[ . 1 . 2]" 1
142 1 28 PHE QD 1 29 CYS H 5.690 . 5.690 3.583 2.714 4.962 . 0 0 "[ . 1 . 2]" 1
143 1 29 CYS HA 1 30 GLN H 4.490 . 4.490 2.702 2.160 3.596 . 0 0 "[ . 1 . 2]" 1
144 1 29 CYS HB2 1 31 THR H 6.300 . 6.300 4.712 3.354 6.276 . 0 0 "[ . 1 . 2]" 1
145 1 29 CYS HB2 1 31 THR MG 6.300 . 6.300 4.974 2.685 6.388 0.088 11 0 "[ . 1 . 2]" 1
146 1 29 CYS HB3 1 30 GLN H 5.510 . 5.510 3.509 2.073 4.529 . 0 0 "[ . 1 . 2]" 1
147 1 29 CYS HB3 1 31 THR H 6.300 . 6.300 4.765 2.969 6.431 0.131 19 0 "[ . 1 . 2]" 1
148 1 30 GLN H 1 30 GLN HG2 5.540 . 5.540 3.764 1.792 5.008 . 0 0 "[ . 1 . 2]" 1
149 1 30 GLN H 1 30 GLN HG3 4.850 . 4.850 3.782 2.474 4.696 . 0 0 "[ . 1 . 2]" 1
150 1 30 GLN H 1 31 THR H 6.270 . 6.270 3.306 1.881 4.578 . 0 0 "[ . 1 . 2]" 1
151 1 30 GLN HA 1 31 THR H 3.800 . 3.800 2.748 2.198 3.620 . 0 0 "[ . 1 . 2]" 1
152 1 30 GLN HA 1 31 THR MG 6.160 . 6.160 4.562 3.579 6.046 . 0 0 "[ . 1 . 2]" 1
153 1 30 GLN QB 1 31 THR H 4.630 . 4.630 3.562 2.117 4.119 . 0 0 "[ . 1 . 2]" 1
154 1 30 GLN HG2 1 31 THR H 5.710 . 5.710 4.703 3.734 5.511 . 0 0 "[ . 1 . 2]" 1
155 1 31 THR H 1 31 THR MG 4.080 . 4.080 2.542 1.858 3.897 . 0 0 "[ . 1 . 2]" 1
156 1 31 THR HA 1 32 ASP H 4.160 . 4.160 2.815 2.141 3.606 . 0 0 "[ . 1 . 2]" 1
157 1 31 THR HB 1 32 ASP H 5.530 . 5.530 4.229 3.692 4.677 . 0 0 "[ . 1 . 2]" 1
158 1 31 THR HB 1 40 THR MG . . 4.550 3.977 2.047 4.671 0.121 2 0 "[ . 1 . 2]" 1
159 1 31 THR MG 1 32 ASP H 4.500 . 4.500 3.245 1.726 4.382 . 0 0 "[ . 1 . 2]" 1
160 1 31 THR MG 1 32 ASP HA 4.760 . 4.760 4.145 3.487 5.252 0.492 14 0 "[ . 1 . 2]" 1
161 1 32 ASP H 1 40 THR MG 6.300 . 6.300 4.342 1.918 5.832 . 0 0 "[ . 1 . 2]" 1
162 1 32 ASP HA 1 33 VAL HA 6.300 . 6.300 4.662 4.295 5.369 . 0 0 "[ . 1 . 2]" 1
163 1 32 ASP HA 1 34 GLN H 5.830 . 5.830 4.319 3.243 5.537 . 0 0 "[ . 1 . 2]" 1
164 1 32 ASP HB2 1 34 GLN H 5.100 . 5.100 4.358 3.251 5.185 0.085 19 0 "[ . 1 . 2]" 1
165 1 32 ASP HB3 1 33 VAL H 4.820 . 4.820 3.383 2.027 4.546 . 0 0 "[ . 1 . 2]" 1
166 1 32 ASP HB3 1 34 GLN H 4.750 . 4.750 3.790 2.267 4.902 0.152 19 0 "[ . 1 . 2]" 1
167 1 33 VAL H 1 33 VAL HB 4.090 . 4.090 3.158 2.487 3.991 . 0 0 "[ . 1 . 2]" 1
168 1 33 VAL H 1 33 VAL QG 3.840 . 3.840 2.325 1.874 3.131 . 0 0 "[ . 1 . 2]" 1
169 1 33 VAL H 1 34 GLN H 4.630 . 4.630 2.954 1.733 4.034 . 0 0 "[ . 1 . 2]" 1
170 1 33 VAL HA 1 34 GLN H 5.270 . 5.270 3.402 2.402 3.623 . 0 0 "[ . 1 . 2]" 1
171 1 33 VAL HA 1 35 ASP H 5.780 . 5.780 4.922 3.427 5.750 . 0 0 "[ . 1 . 2]" 1
172 1 33 VAL HB 1 34 GLN H 5.480 . 5.480 3.651 2.046 4.542 . 0 0 "[ . 1 . 2]" 1
173 1 33 VAL QG 1 34 GLN H 4.210 . 4.210 2.752 1.839 3.644 . 0 0 "[ . 1 . 2]" 1
174 1 33 VAL QG 1 34 GLN HA . . 5.760 3.841 3.028 4.919 . 0 0 "[ . 1 . 2]" 1
175 1 33 VAL QG 1 34 GLN QB 4.900 . 4.900 3.292 2.414 4.780 . 0 0 "[ . 1 . 2]" 1
176 1 33 VAL QG 1 34 GLN HG2 4.880 . 4.880 3.705 1.860 5.032 0.152 3 0 "[ . 1 . 2]" 1
177 1 33 VAL QG 1 34 GLN HG3 4.970 . 4.970 4.359 2.820 5.152 0.182 16 0 "[ . 1 . 2]" 1
178 1 34 GLN H 1 34 GLN HG2 5.030 . 5.030 3.388 1.938 4.837 . 0 0 "[ . 1 . 2]" 1
179 1 34 GLN H 1 34 GLN HG3 4.920 . 4.920 3.948 2.585 4.953 0.033 2 0 "[ . 1 . 2]" 1
180 1 34 GLN H 1 35 ASP H . . 4.110 2.604 1.626 4.259 0.149 15 0 "[ . 1 . 2]" 1
181 1 34 GLN HA 1 35 ASP H 5.210 . 5.210 3.409 2.104 3.653 . 0 0 "[ . 1 . 2]" 1
182 1 34 GLN QB 1 35 ASP H 4.850 . 4.850 3.093 1.779 4.074 . 0 0 "[ . 1 . 2]" 1
183 1 34 GLN HG2 1 35 ASP H 4.240 . 4.240 3.544 2.643 4.462 0.222 15 0 "[ . 1 . 2]" 1
184 1 34 GLN HG3 1 35 ASP H 6.300 . 6.300 3.909 1.779 5.313 . 0 0 "[ . 1 . 2]" 1
185 1 36 ARG H 1 36 ARG HG2 3.970 . 3.970 3.123 1.931 4.115 0.145 3 0 "[ . 1 . 2]" 1
186 1 36 ARG H 1 36 ARG HG3 5.040 . 5.040 3.417 2.139 4.912 . 0 0 "[ . 1 . 2]" 1
187 1 36 ARG H 1 37 GLY H 5.030 . 5.030 3.340 1.926 4.525 . 0 0 "[ . 1 . 2]" 1
188 1 36 ARG HA 1 36 ARG QD 4.980 . 4.980 3.663 2.039 4.661 . 0 0 "[ . 1 . 2]" 1
189 1 36 ARG HB3 1 37 GLY H 6.240 . 6.240 3.989 2.668 4.715 . 0 0 "[ . 1 . 2]" 1
190 1 37 GLY H 1 38 SER H 4.960 . 4.960 3.457 2.471 4.497 . 0 0 "[ . 1 . 2]" 1
191 1 37 GLY HA2 1 38 SER H 4.860 . 4.860 2.944 2.157 3.589 . 0 0 "[ . 1 . 2]" 1
192 1 40 THR HA 1 40 THR MG 3.720 . 3.720 2.700 2.323 3.277 . 0 0 "[ . 1 . 2]" 1
193 1 40 THR HA 1 41 VAL MG2 5.740 . 5.740 3.879 3.336 4.039 . 0 0 "[ . 1 . 2]" 1
194 1 40 THR HB 1 41 VAL MG2 5.450 . 5.450 5.179 4.559 5.563 0.113 14 0 "[ . 1 . 2]" 1
195 1 40 THR HB 1 103 GLU HB2 5.400 . 5.400 4.137 2.521 5.660 0.260 11 0 "[ . 1 . 2]" 1
196 1 40 THR HB 1 103 GLU HB3 5.550 . 5.550 4.331 3.024 5.735 0.185 19 0 "[ . 1 . 2]" 1
197 1 40 THR MG 1 41 VAL HA 5.720 . 5.720 4.973 3.869 5.649 . 0 0 "[ . 1 . 2]" 1
198 1 40 THR MG 1 103 GLU HB2 4.760 . 4.760 3.724 2.542 4.884 0.124 20 0 "[ . 1 . 2]" 1
199 1 40 THR MG 1 105 SER H 5.100 . 5.100 4.811 3.225 5.380 0.280 20 0 "[ . 1 . 2]" 1
200 1 41 VAL HA 1 42 CYS H 3.730 . 3.730 2.224 2.167 2.276 . 0 0 "[ . 1 . 2]" 1
201 1 41 VAL HA 1 102 THR HA 6.170 . 6.170 4.035 3.363 4.804 . 0 0 "[ . 1 . 2]" 1
202 1 41 VAL HA 1 102 THR MG 4.130 . 4.130 3.790 3.265 4.254 0.124 7 0 "[ . 1 . 2]" 1
203 1 41 VAL HA 1 103 GLU H 4.620 . 4.620 3.318 2.885 3.970 . 0 0 "[ . 1 . 2]" 1
204 1 41 VAL HA 1 103 GLU HB2 6.100 . 6.100 3.919 2.696 5.616 . 0 0 "[ . 1 . 2]" 1
205 1 41 VAL HA 1 103 GLU HB3 5.420 . 5.420 4.425 3.011 5.500 0.080 1 0 "[ . 1 . 2]" 1
206 1 41 VAL HB 1 42 CYS H 4.600 . 4.600 4.357 4.004 4.468 . 0 0 "[ . 1 . 2]" 1
207 1 41 VAL HB 1 82 ALA HA 5.820 . 5.820 4.742 4.055 5.236 . 0 0 "[ . 1 . 2]" 1
208 1 41 VAL MG1 1 42 CYS H 4.910 . 4.910 3.156 2.486 3.457 . 0 0 "[ . 1 . 2]" 1
209 1 41 VAL MG1 1 80 LEU MD1 4.120 . 4.120 3.059 2.652 3.543 . 0 0 "[ . 1 . 2]" 1
210 1 41 VAL MG1 1 82 ALA H 5.610 . 5.610 2.983 2.186 3.645 . 0 0 "[ . 1 . 2]" 1
211 1 41 VAL MG1 1 82 ALA HA 3.790 . 3.790 2.677 2.093 3.178 . 0 0 "[ . 1 . 2]" 1
212 1 41 VAL MG1 1 82 ALA MB . . 3.910 2.052 1.601 2.736 . 0 0 "[ . 1 . 2]" 1
213 1 41 VAL MG1 1 85 TRP H 5.870 . 5.870 5.357 4.669 5.874 0.004 18 0 "[ . 1 . 2]" 1
214 1 41 VAL MG1 1 85 TRP QB 5.540 . 5.540 4.161 3.778 4.460 . 0 0 "[ . 1 . 2]" 1
215 1 41 VAL MG1 1 102 THR MG . . 3.620 2.788 2.133 3.438 . 0 0 "[ . 1 . 2]" 1
216 1 41 VAL MG1 1 103 GLU H 5.180 . 5.180 4.321 3.640 5.113 . 0 0 "[ . 1 . 2]" 1
217 1 41 VAL MG1 1 106 ALA HA 5.390 . 5.390 3.362 2.816 3.882 . 0 0 "[ . 1 . 2]" 1
218 1 41 VAL MG1 1 106 ALA MB 3.610 . 3.610 2.080 1.872 2.518 . 0 0 "[ . 1 . 2]" 1
219 1 41 VAL MG2 1 42 CYS H 4.430 . 4.430 4.358 4.194 4.462 0.032 10 0 "[ . 1 . 2]" 1
220 1 41 VAL MG2 1 42 CYS HA 6.300 . 6.300 5.658 5.502 5.739 . 0 0 "[ . 1 . 2]" 1
221 1 41 VAL MG2 1 80 LEU MD1 5.020 . 5.020 4.834 4.378 5.114 0.094 3 0 "[ . 1 . 2]" 1
222 1 41 VAL MG2 1 82 ALA MB 5.680 . 5.680 2.060 1.529 2.592 . 0 0 "[ . 1 . 2]" 1
223 1 41 VAL MG2 1 103 GLU H 6.300 . 6.300 4.896 4.338 5.614 . 0 0 "[ . 1 . 2]" 1
224 1 41 VAL MG2 1 106 ALA MB 4.130 . 4.130 2.341 1.959 2.810 . 0 0 "[ . 1 . 2]" 1
225 1 41 VAL MG2 1 109 TYR HB3 5.310 . 5.310 5.003 4.176 5.402 0.092 14 0 "[ . 1 . 2]" 1
226 1 41 VAL MG2 1 110 VAL MG1 4.770 . 4.770 4.647 3.735 5.077 0.307 1 0 "[ . 1 . 2]" 1
227 1 42 CYS H 1 43 ALA H 6.300 . 6.300 4.202 4.075 4.310 . 0 0 "[ . 1 . 2]" 1
228 1 42 CYS H 1 80 LEU MD1 6.150 . 6.150 6.130 5.902 6.328 0.178 8 0 "[ . 1 . 2]" 1
229 1 42 CYS H 1 102 THR MG 4.290 . 4.290 3.583 2.064 4.171 . 0 0 "[ . 1 . 2]" 1
230 1 42 CYS H 1 103 GLU H 5.210 . 5.210 2.891 2.496 4.445 . 0 0 "[ . 1 . 2]" 1
231 1 42 CYS H 1 106 ALA MB 6.300 . 6.300 4.191 3.227 4.911 . 0 0 "[ . 1 . 2]" 1
232 1 42 CYS HA 1 43 ALA H 3.610 . 3.610 2.160 2.110 2.231 . 0 0 "[ . 1 . 2]" 1
233 1 42 CYS HA 1 43 ALA MB 5.800 . 5.800 4.077 3.948 4.150 . 0 0 "[ . 1 . 2]" 1
234 1 42 CYS HA 1 78 TRP H 5.590 . 5.590 3.730 3.077 4.444 . 0 0 "[ . 1 . 2]" 1
235 1 42 CYS HA 1 80 LEU H 3.800 . 3.800 3.061 2.487 3.882 0.082 11 0 "[ . 1 . 2]" 1
236 1 42 CYS HB3 1 43 ALA H 6.250 . 6.250 3.719 3.610 3.795 . 0 0 "[ . 1 . 2]" 1
237 1 43 ALA H 1 44 GLU H 5.420 . 5.420 4.397 4.362 4.424 . 0 0 "[ . 1 . 2]" 1
238 1 43 ALA H 1 44 GLU HA 5.660 . 5.660 4.642 4.591 4.724 . 0 0 "[ . 1 . 2]" 1
239 1 43 ALA H 1 44 GLU QG 5.850 . 5.850 5.844 4.611 6.100 0.250 19 0 "[ . 1 . 2]" 1
240 1 43 ALA H 1 78 TRP H . . 4.170 3.445 2.925 3.864 . 0 0 "[ . 1 . 2]" 1
241 1 43 ALA H 1 80 LEU H 6.120 . 6.120 3.261 2.931 3.712 . 0 0 "[ . 1 . 2]" 1
242 1 43 ALA HA 1 44 GLU H 3.740 . 3.740 2.357 2.287 2.421 . 0 0 "[ . 1 . 2]" 1
243 1 43 ALA HA 1 97 VAL HB 6.280 . 6.280 5.177 3.582 6.126 . 0 0 "[ . 1 . 2]" 1
244 1 43 ALA HA 1 97 VAL MG2 5.700 . 5.700 2.661 1.920 3.320 . 0 0 "[ . 1 . 2]" 1
245 1 43 ALA HA 1 98 VAL H 4.490 . 4.490 3.550 2.865 4.262 . 0 0 "[ . 1 . 2]" 1
246 1 43 ALA MB 1 44 GLU H 4.050 . 4.050 2.733 2.631 2.908 . 0 0 "[ . 1 . 2]" 1
247 1 43 ALA MB 1 45 MET H 6.210 . 6.210 4.701 4.274 5.060 . 0 0 "[ . 1 . 2]" 1
248 1 43 ALA MB 1 45 MET HG2 5.670 . 5.670 4.144 3.776 4.839 . 0 0 "[ . 1 . 2]" 1
249 1 43 ALA MB 1 45 MET HG3 4.900 . 4.900 4.655 3.617 5.128 0.228 19 0 "[ . 1 . 2]" 1
250 1 43 ALA MB 1 78 TRP H 5.170 . 5.170 5.209 4.946 5.395 0.225 13 0 "[ . 1 . 2]" 1
251 1 43 ALA MB 1 80 LEU H 5.710 . 5.710 4.441 3.984 4.720 . 0 0 "[ . 1 . 2]" 1
252 1 43 ALA MB 1 80 LEU HB2 5.150 . 5.150 3.483 3.227 3.648 . 0 0 "[ . 1 . 2]" 1
253 1 43 ALA MB 1 80 LEU MD1 4.390 . 4.390 1.762 1.629 1.904 . 0 0 "[ . 1 . 2]" 1
254 1 43 ALA MB 1 80 LEU HG 3.930 . 3.930 2.749 2.381 3.049 . 0 0 "[ . 1 . 2]" 1
255 1 43 ALA MB 1 85 TRP HD1 . . 4.240 3.864 3.012 4.327 0.087 18 0 "[ . 1 . 2]" 1
256 1 43 ALA MB 1 85 TRP HE1 5.060 . 5.060 4.892 4.136 5.311 0.251 7 0 "[ . 1 . 2]" 1
257 1 43 ALA MB 1 97 VAL MG2 4.420 . 4.420 2.068 1.872 2.362 . 0 0 "[ . 1 . 2]" 1
258 1 44 GLU H 1 97 VAL HA 5.590 . 5.590 3.089 2.330 3.774 . 0 0 "[ . 1 . 2]" 1
259 1 44 GLU H 1 97 VAL MG2 5.640 . 5.640 2.534 1.782 3.398 . 0 0 "[ . 1 . 2]" 1
260 1 44 GLU H 1 98 VAL MG1 6.300 . 6.300 3.495 1.812 4.635 . 0 0 "[ . 1 . 2]" 1
261 1 44 GLU HA 1 45 MET H 4.000 . 4.000 2.141 2.079 2.213 . 0 0 "[ . 1 . 2]" 1
262 1 44 GLU HA 1 75 GLY H 6.130 . 6.130 4.654 4.066 5.315 . 0 0 "[ . 1 . 2]" 1
263 1 44 GLU HA 1 76 ASP H 4.690 . 4.690 4.225 3.669 4.754 0.064 9 0 "[ . 1 . 2]" 1
264 1 44 GLU HA 1 77 ARG HA 5.390 . 5.390 3.060 2.683 3.527 . 0 0 "[ . 1 . 2]" 1
265 1 44 GLU HA 1 80 LEU HB2 5.530 . 5.530 4.513 4.262 4.971 . 0 0 "[ . 1 . 2]" 1
266 1 44 GLU HA 1 80 LEU HB3 5.470 . 5.470 5.279 4.784 5.660 0.190 6 0 "[ . 1 . 2]" 1
267 1 44 GLU HA 1 97 VAL MG2 5.510 . 5.510 5.046 4.208 5.731 0.221 5 0 "[ . 1 . 2]" 1
268 1 44 GLU QB 1 45 MET H 4.390 . 4.390 3.852 3.577 3.975 . 0 0 "[ . 1 . 2]" 1
269 1 44 GLU QB 1 45 MET HA 5.650 . 5.650 4.647 4.222 4.800 . 0 0 "[ . 1 . 2]" 1
270 1 44 GLU QB 1 75 GLY HA3 5.630 . 5.630 5.579 3.781 5.859 0.229 3 0 "[ . 1 . 2]" 1
271 1 44 GLU QG 1 45 MET H 5.470 . 5.470 3.285 2.729 4.604 . 0 0 "[ . 1 . 2]" 1
272 1 44 GLU QG 1 75 GLY H 5.070 . 5.070 3.402 2.489 5.091 0.021 8 0 "[ . 1 . 2]" 1
273 1 44 GLU QG 1 75 GLY HA3 5.610 . 5.610 3.824 3.548 4.859 . 0 0 "[ . 1 . 2]" 1
274 1 44 GLU QG 1 80 LEU HB2 5.680 . 5.680 5.902 5.773 6.034 0.354 20 0 "[ . 1 . 2]" 1
275 1 45 MET H 1 45 MET ME 4.510 . 4.510 4.602 4.292 4.813 0.303 15 0 "[ . 1 . 2]" 1
276 1 45 MET H 1 45 MET HG3 3.990 . 3.990 3.360 2.385 3.909 . 0 0 "[ . 1 . 2]" 1
277 1 45 MET H 1 46 THR H 5.800 . 5.800 4.526 4.370 4.607 . 0 0 "[ . 1 . 2]" 1
278 1 45 MET H 1 74 ALA HA 5.640 . 5.640 4.782 3.967 5.551 . 0 0 "[ . 1 . 2]" 1
279 1 45 MET H 1 75 GLY H . . 5.310 3.884 3.318 4.380 . 0 0 "[ . 1 . 2]" 1
280 1 45 MET H 1 76 ASP H 5.230 . 5.230 4.283 3.633 5.003 . 0 0 "[ . 1 . 2]" 1
281 1 45 MET H 1 77 ARG HA 4.850 . 4.850 4.871 4.604 5.047 0.197 8 0 "[ . 1 . 2]" 1
282 1 45 MET H 1 80 LEU HB2 5.350 . 5.350 4.969 4.457 5.375 0.025 3 0 "[ . 1 . 2]" 1
283 1 45 MET H 1 80 LEU HB3 6.080 . 6.080 5.787 5.091 6.153 0.073 10 0 "[ . 1 . 2]" 1
284 1 45 MET H 1 80 LEU HG 6.300 . 6.300 3.547 2.990 4.052 . 0 0 "[ . 1 . 2]" 1
285 1 45 MET HA 1 45 MET ME 4.910 . 4.910 3.347 2.583 4.595 . 0 0 "[ . 1 . 2]" 1
286 1 45 MET HA 1 46 THR H 3.740 . 3.740 2.243 2.147 2.364 . 0 0 "[ . 1 . 2]" 1
287 1 45 MET HA 1 50 LEU MD1 4.970 . 4.970 4.060 3.578 5.113 0.143 11 0 "[ . 1 . 2]" 1
288 1 45 MET HB2 1 46 THR H 4.960 . 4.960 3.987 3.617 4.439 . 0 0 "[ . 1 . 2]" 1
289 1 45 MET HB2 1 46 THR MG 6.300 . 6.300 5.569 5.036 6.551 0.251 19 0 "[ . 1 . 2]" 1
290 1 45 MET HB2 1 50 LEU HB2 5.620 . 5.620 5.205 3.244 5.627 0.007 19 0 "[ . 1 . 2]" 1
291 1 45 MET HB2 1 50 LEU MD2 4.920 . 4.920 3.194 1.960 3.685 . 0 0 "[ . 1 . 2]" 1
292 1 45 MET HB2 1 74 ALA HA 5.070 . 5.070 4.162 3.594 4.744 . 0 0 "[ . 1 . 2]" 1
293 1 45 MET HB2 1 74 ALA MB 6.120 . 6.120 5.009 4.329 5.561 . 0 0 "[ . 1 . 2]" 1
294 1 45 MET HB2 1 75 GLY H 4.740 . 4.740 4.474 3.731 4.876 0.136 16 0 "[ . 1 . 2]" 1
295 1 45 MET HB3 1 46 THR H 5.890 . 5.890 3.122 2.607 3.649 . 0 0 "[ . 1 . 2]" 1
296 1 45 MET HB3 1 50 LEU MD2 4.700 . 4.700 4.164 2.821 4.852 0.152 7 0 "[ . 1 . 2]" 1
297 1 45 MET HB3 1 74 ALA HA 6.170 . 6.170 5.316 4.610 5.895 . 0 0 "[ . 1 . 2]" 1
298 1 45 MET HB3 1 75 GLY H 6.100 . 6.100 5.604 4.893 6.116 0.016 16 0 "[ . 1 . 2]" 1
299 1 45 MET ME 1 46 THR H 4.880 . 4.880 4.052 3.052 5.047 0.167 8 0 "[ . 1 . 2]" 1
300 1 45 MET ME 1 50 LEU MD1 4.560 . 4.560 2.962 1.877 4.198 . 0 0 "[ . 1 . 2]" 1
301 1 45 MET ME 1 50 LEU MD2 . . 6.160 4.590 3.148 5.835 . 0 0 "[ . 1 . 2]" 1
302 1 45 MET ME 1 80 LEU MD1 4.830 . 4.830 3.673 2.831 4.395 . 0 0 "[ . 1 . 2]" 1
303 1 45 MET ME 1 85 TRP H 5.850 . 5.850 4.181 3.494 5.276 . 0 0 "[ . 1 . 2]" 1
304 1 45 MET ME 1 88 ALA H 4.700 . 4.700 4.239 3.675 4.908 0.208 8 0 "[ . 1 . 2]" 1
305 1 45 MET HG2 1 80 LEU MD1 5.950 . 5.950 3.140 2.505 3.720 . 0 0 "[ . 1 . 2]" 1
306 1 45 MET HG2 1 80 LEU MD2 5.320 . 5.320 3.075 2.356 4.531 . 0 0 "[ . 1 . 2]" 1
307 1 45 MET HG2 1 80 LEU HG 6.300 . 6.300 3.004 2.118 4.406 . 0 0 "[ . 1 . 2]" 1
308 1 45 MET HG2 1 84 ARG QB 6.300 . 6.300 5.227 4.198 6.357 0.057 8 0 "[ . 1 . 2]" 1
309 1 45 MET HG3 1 50 LEU MD1 4.830 . 4.830 3.545 2.907 4.232 . 0 0 "[ . 1 . 2]" 1
310 1 45 MET HG3 1 50 LEU MD2 5.590 . 5.590 4.711 3.576 5.315 . 0 0 "[ . 1 . 2]" 1
311 1 45 MET HG3 1 80 LEU MD1 4.890 . 4.890 2.942 2.220 3.535 . 0 0 "[ . 1 . 2]" 1
312 1 45 MET HG3 1 85 TRP HA 4.510 . 4.510 4.354 3.586 4.645 0.135 6 0 "[ . 1 . 2]" 1
313 1 45 MET HG3 1 85 TRP QB 4.300 . 4.300 3.885 3.285 4.418 0.118 13 0 "[ . 1 . 2]" 1
314 1 46 THR H 1 46 THR MG 4.240 . 4.240 2.385 1.900 3.814 . 0 0 "[ . 1 . 2]" 1
315 1 46 THR H 1 49 PHE H 4.880 . 4.880 4.228 3.806 4.749 . 0 0 "[ . 1 . 2]" 1
316 1 46 THR H 1 49 PHE HB2 5.340 . 5.340 4.248 2.826 5.367 0.027 19 0 "[ . 1 . 2]" 1
317 1 46 THR H 1 49 PHE HB3 4.570 . 4.570 4.173 3.309 4.722 0.152 4 0 "[ . 1 . 2]" 1
318 1 46 THR H 1 49 PHE QD 5.340 . 5.340 4.757 2.634 5.468 0.128 15 0 "[ . 1 . 2]" 1
319 1 46 THR H 1 50 LEU H . . 5.650 5.073 4.196 5.699 0.049 19 0 "[ . 1 . 2]" 1
320 1 46 THR H 1 50 LEU MD1 5.160 . 5.160 3.864 3.114 5.305 0.145 5 0 "[ . 1 . 2]" 1
321 1 46 THR HA 1 47 GLU H 3.500 . 3.500 2.375 2.288 2.528 . 0 0 "[ . 1 . 2]" 1
322 1 46 THR HA 1 47 GLU HA 6.170 . 6.170 4.286 4.126 4.390 . 0 0 "[ . 1 . 2]" 1
323 1 46 THR HA 1 47 GLU QB 5.470 . 5.470 4.227 4.100 4.394 . 0 0 "[ . 1 . 2]" 1
324 1 46 THR HA 1 48 GLU H 4.540 . 4.540 4.335 4.193 4.516 . 0 0 "[ . 1 . 2]" 1
325 1 46 THR HA 1 50 LEU MD2 6.180 . 6.180 5.008 3.638 5.858 . 0 0 "[ . 1 . 2]" 1
326 1 46 THR HA 1 74 ALA HA 5.490 . 5.490 4.014 3.242 4.845 . 0 0 "[ . 1 . 2]" 1
327 1 46 THR HA 1 74 ALA MB 4.150 . 4.150 3.211 2.285 4.228 0.078 19 0 "[ . 1 . 2]" 1
328 1 46 THR HB 1 47 GLU H 4.200 . 4.200 3.216 2.281 3.892 . 0 0 "[ . 1 . 2]" 1
329 1 46 THR HB 1 48 GLU H 4.530 . 4.530 3.720 2.634 4.709 0.179 18 0 "[ . 1 . 2]" 1
330 1 46 THR HB 1 48 GLU HG2 6.260 . 6.260 5.178 2.781 6.375 0.115 14 0 "[ . 1 . 2]" 1
331 1 46 THR HB 1 48 GLU HG3 6.050 . 6.050 5.388 4.159 6.130 0.080 5 0 "[ . 1 . 2]" 1
332 1 46 THR MG 1 47 GLU H . . 4.970 3.549 2.138 3.944 . 0 0 "[ . 1 . 2]" 1
333 1 46 THR MG 1 48 GLU H 4.840 . 4.840 3.425 2.137 4.634 . 0 0 "[ . 1 . 2]" 1
334 1 46 THR MG 1 48 GLU HB3 4.730 . 4.730 4.149 3.538 4.891 0.161 15 0 "[ . 1 . 2]" 1
335 1 46 THR MG 1 48 GLU HG2 5.420 . 5.420 4.134 2.267 5.522 0.102 10 0 "[ . 1 . 2]" 1
336 1 46 THR MG 1 49 PHE H 5.020 . 5.020 3.709 1.993 5.151 0.131 15 0 "[ . 1 . 2]" 1
337 1 46 THR MG 1 75 GLY H 6.300 . 6.300 5.433 3.740 6.377 0.077 9 0 "[ . 1 . 2]" 1
338 1 46 THR MG 1 96 PRO HD2 4.270 . 4.270 2.677 2.056 3.249 . 0 0 "[ . 1 . 2]" 1
339 1 46 THR MG 1 96 PRO HD3 4.400 . 4.400 3.560 2.850 4.380 . 0 0 "[ . 1 . 2]" 1
340 1 46 THR MG 1 96 PRO HG2 5.340 . 5.340 3.654 2.721 4.546 . 0 0 "[ . 1 . 2]" 1
341 1 46 THR MG 1 96 PRO HG3 4.670 . 4.670 4.259 3.433 4.721 0.051 3 0 "[ . 1 . 2]" 1
342 1 47 GLU H 1 47 GLU QB 3.410 . 3.410 2.254 2.133 2.310 . 0 0 "[ . 1 . 2]" 1
343 1 47 GLU H 1 47 GLU HG2 5.040 . 5.040 4.573 4.539 4.634 . 0 0 "[ . 1 . 2]" 1
344 1 47 GLU H 1 47 GLU HG3 4.920 . 4.920 4.403 4.217 4.506 . 0 0 "[ . 1 . 2]" 1
345 1 47 GLU H 1 48 GLU H . . 3.820 2.774 2.608 3.014 . 0 0 "[ . 1 . 2]" 1
346 1 47 GLU H 1 50 LEU MD2 5.960 . 5.960 5.036 3.737 5.698 . 0 0 "[ . 1 . 2]" 1
347 1 47 GLU H 1 74 ALA MB 3.970 . 3.970 2.595 2.264 3.272 . 0 0 "[ . 1 . 2]" 1
348 1 47 GLU HA 1 47 GLU HG2 4.050 . 4.050 3.021 2.888 3.101 . 0 0 "[ . 1 . 2]" 1
349 1 47 GLU HA 1 47 GLU HG3 4.110 . 4.110 2.562 2.386 2.662 . 0 0 "[ . 1 . 2]" 1
350 1 47 GLU HA 1 48 GLU H 4.200 . 4.200 3.506 3.480 3.537 . 0 0 "[ . 1 . 2]" 1
351 1 47 GLU HA 1 50 LEU H 4.790 . 4.790 3.228 2.787 3.512 . 0 0 "[ . 1 . 2]" 1
352 1 47 GLU HA 1 50 LEU HB2 5.490 . 5.490 2.545 2.029 3.555 . 0 0 "[ . 1 . 2]" 1
353 1 47 GLU HA 1 50 LEU HB3 6.050 . 6.050 3.878 2.292 4.551 . 0 0 "[ . 1 . 2]" 1
354 1 47 GLU HA 1 50 LEU MD2 . . 4.340 3.460 2.460 3.913 . 0 0 "[ . 1 . 2]" 1
355 1 47 GLU HA 1 51 LEU H 5.000 . 5.000 3.811 3.492 4.130 . 0 0 "[ . 1 . 2]" 1
356 1 47 GLU HA 1 51 LEU HG 4.440 . 4.440 3.844 3.493 4.140 . 0 0 "[ . 1 . 2]" 1
357 1 47 GLU HA 1 74 ALA MB 4.670 . 4.670 2.174 1.897 2.367 . 0 0 "[ . 1 . 2]" 1
358 1 47 GLU QB 1 48 GLU H 3.300 . 3.300 2.822 2.670 2.965 . 0 0 "[ . 1 . 2]" 1
359 1 47 GLU QB 1 50 LEU MD2 6.270 . 6.270 4.720 4.034 5.113 . 0 0 "[ . 1 . 2]" 1
360 1 47 GLU QB 1 74 ALA MB 4.610 . 4.610 2.273 2.085 2.625 . 0 0 "[ . 1 . 2]" 1
361 1 47 GLU HG2 1 50 LEU MD2 5.520 . 5.520 5.526 5.088 5.667 0.147 20 0 "[ . 1 . 2]" 1
362 1 47 GLU HG2 1 51 LEU HB3 4.590 . 4.590 4.772 4.696 4.842 0.252 13 0 "[ . 1 . 2]" 1
363 1 47 GLU HG2 1 51 LEU MD1 . . 4.200 2.367 2.143 2.784 . 0 0 "[ . 1 . 2]" 1
364 1 47 GLU HG2 1 51 LEU HG 4.480 . 4.480 1.977 1.715 2.527 . 0 0 "[ . 1 . 2]" 1
365 1 47 GLU HG2 1 74 ALA MB 4.510 . 4.510 4.004 3.530 4.529 0.019 14 0 "[ . 1 . 2]" 1
366 1 47 GLU HG3 1 50 LEU MD2 5.500 . 5.500 4.500 3.987 4.876 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU HG3 1 51 LEU MD1 4.300 . 4.300 3.632 3.169 4.267 . 0 0 "[ . 1 . 2]" 1
368 1 47 GLU HG3 1 51 LEU HG 5.230 . 5.230 3.046 2.754 3.452 . 0 0 "[ . 1 . 2]" 1
369 1 47 GLU HG3 1 74 ALA MB 4.560 . 4.560 2.863 2.292 3.500 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLU H 1 48 GLU HB3 4.320 . 4.320 3.070 2.283 3.629 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLU H 1 48 GLU HG2 4.460 . 4.460 3.238 1.968 4.545 0.085 6 0 "[ . 1 . 2]" 1
372 1 48 GLU H 1 48 GLU HG3 4.260 . 4.260 3.474 1.812 4.435 0.175 12 0 "[ . 1 . 2]" 1
373 1 48 GLU H 1 49 PHE H 4.160 . 4.160 2.950 2.737 3.130 . 0 0 "[ . 1 . 2]" 1
374 1 48 GLU H 1 50 LEU H 5.960 . 5.960 4.207 3.966 4.407 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLU HA 1 49 PHE H 4.690 . 4.690 3.589 3.509 3.658 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLU HB3 1 49 PHE H 4.070 . 4.070 3.231 2.303 3.940 . 0 0 "[ . 1 . 2]" 1
377 1 48 GLU HG2 1 49 PHE H 4.910 . 4.910 4.222 2.181 4.974 0.064 9 0 "[ . 1 . 2]" 1
378 1 48 GLU HG3 1 49 PHE H 5.380 . 5.380 3.955 2.333 5.098 . 0 0 "[ . 1 . 2]" 1
379 1 49 PHE H 1 49 PHE HB2 4.240 . 4.240 2.632 2.298 2.828 . 0 0 "[ . 1 . 2]" 1
380 1 49 PHE H 1 49 PHE HB3 4.130 . 4.130 2.831 2.446 3.641 . 0 0 "[ . 1 . 2]" 1
381 1 49 PHE H 1 49 PHE QD 4.850 . 4.850 3.692 2.000 4.319 . 0 0 "[ . 1 . 2]" 1
382 1 49 PHE H 1 50 LEU H 4.010 . 4.010 2.611 2.518 2.727 . 0 0 "[ . 1 . 2]" 1
383 1 49 PHE HA 1 50 LEU H 5.920 . 5.920 3.572 3.517 3.636 . 0 0 "[ . 1 . 2]" 1
384 1 49 PHE HA 1 50 LEU HA 6.300 . 6.300 4.778 4.727 4.850 . 0 0 "[ . 1 . 2]" 1
385 1 49 PHE HA 1 52 PHE H 5.020 . 5.020 3.353 3.064 3.818 . 0 0 "[ . 1 . 2]" 1
386 1 49 PHE HA 1 52 PHE HB3 . . 4.960 2.704 2.197 4.486 . 0 0 "[ . 1 . 2]" 1
387 1 49 PHE HA 1 93 MET ME 5.330 . 5.330 3.392 1.748 5.317 . 0 0 "[ . 1 . 2]" 1
388 1 49 PHE HB3 1 50 LEU H 4.830 . 4.830 3.128 2.629 4.046 . 0 0 "[ . 1 . 2]" 1
389 1 49 PHE QD 1 50 LEU H 5.150 . 5.150 4.005 3.376 4.596 . 0 0 "[ . 1 . 2]" 1
390 1 49 PHE QD 1 50 LEU HA 5.880 . 5.880 4.463 3.365 6.020 0.140 4 0 "[ . 1 . 2]" 1
391 1 49 PHE QD 1 93 MET ME 6.300 . 6.300 3.337 1.801 5.606 . 0 0 "[ . 1 . 2]" 1
392 1 50 LEU H 1 50 LEU HB3 4.120 . 4.120 3.513 2.520 3.686 . 0 0 "[ . 1 . 2]" 1
393 1 50 LEU H 1 50 LEU MD1 . . 4.660 2.386 1.888 4.085 . 0 0 "[ . 1 . 2]" 1
394 1 50 LEU H 1 50 LEU MD2 4.530 . 4.530 3.983 1.967 4.388 . 0 0 "[ . 1 . 2]" 1
395 1 50 LEU H 1 50 LEU HG 4.160 . 4.160 3.853 3.408 4.512 0.352 2 0 "[ . 1 . 2]" 1
396 1 50 LEU H 1 51 LEU H 4.240 . 4.240 2.616 2.452 2.797 . 0 0 "[ . 1 . 2]" 1
397 1 50 LEU H 1 51 LEU HG 6.010 . 6.010 4.663 4.358 4.964 . 0 0 "[ . 1 . 2]" 1
398 1 50 LEU H 1 52 PHE H 5.120 . 5.120 4.049 3.835 4.315 . 0 0 "[ . 1 . 2]" 1
399 1 50 LEU H 1 61 MET ME 5.190 . 5.190 4.775 3.973 5.264 0.074 5 0 "[ . 1 . 2]" 1
400 1 50 LEU H 1 74 ALA MB 4.380 . 4.380 4.487 4.300 4.683 0.303 15 0 "[ . 1 . 2]" 1
401 1 50 LEU HA 1 50 LEU MD1 . . 4.010 2.700 1.999 3.217 . 0 0 "[ . 1 . 2]" 1
402 1 50 LEU HA 1 53 SER H 4.430 . 4.430 3.270 2.689 3.741 . 0 0 "[ . 1 . 2]" 1
403 1 50 LEU HA 1 61 MET ME 6.260 . 6.260 4.349 3.686 5.300 . 0 0 "[ . 1 . 2]" 1
404 1 50 LEU HB2 1 61 MET ME 4.050 . 4.050 3.166 2.585 4.319 0.269 5 0 "[ . 1 . 2]" 1
405 1 50 LEU HB3 1 51 LEU H 4.300 . 4.300 3.659 2.548 4.021 . 0 0 "[ . 1 . 2]" 1
406 1 50 LEU MD1 1 51 LEU H 5.630 . 5.630 4.243 3.940 4.777 . 0 0 "[ . 1 . 2]" 1
407 1 50 LEU MD1 1 74 ALA H 5.920 . 5.920 4.755 3.463 5.967 0.047 2 0 "[ . 1 . 2]" 1
408 1 50 LEU MD1 1 80 LEU MD2 5.710 . 5.710 4.118 3.340 4.827 . 0 0 "[ . 1 . 2]" 1
409 1 50 LEU MD1 1 80 LEU HG 6.300 . 6.300 5.647 5.044 6.150 . 0 0 "[ . 1 . 2]" 1
410 1 50 LEU MD2 1 51 LEU H 5.410 . 5.410 4.970 4.051 5.309 . 0 0 "[ . 1 . 2]" 1
411 1 50 LEU MD2 1 61 MET ME 4.170 . 4.170 3.195 1.972 4.122 . 0 0 "[ . 1 . 2]" 1
412 1 50 LEU MD2 1 73 LYS H 5.230 . 5.230 4.691 3.838 5.301 0.071 12 0 "[ . 1 . 2]" 1
413 1 50 LEU MD2 1 73 LYS HA 3.980 . 3.980 3.098 2.051 4.011 0.031 2 0 "[ . 1 . 2]" 1
414 1 50 LEU MD2 1 73 LYS QB 5.990 . 5.990 4.066 2.980 5.132 . 0 0 "[ . 1 . 2]" 1
415 1 50 LEU MD2 1 73 LYS QD 6.120 . 6.120 5.165 3.664 6.282 0.162 19 0 "[ . 1 . 2]" 1
416 1 50 LEU MD2 1 74 ALA H 4.160 . 4.160 2.884 2.055 3.666 . 0 0 "[ . 1 . 2]" 1
417 1 50 LEU MD2 1 74 ALA HA 4.860 . 4.860 2.430 1.707 3.142 . 0 0 "[ . 1 . 2]" 1
418 1 50 LEU MD2 1 74 ALA MB 4.030 . 4.030 2.373 2.030 2.823 . 0 0 "[ . 1 . 2]" 1
419 1 51 LEU H 1 51 LEU HB3 4.280 . 4.280 3.614 3.560 3.655 . 0 0 "[ . 1 . 2]" 1
420 1 51 LEU H 1 51 LEU MD2 4.390 . 4.390 3.501 3.231 3.845 . 0 0 "[ . 1 . 2]" 1
421 1 51 LEU H 1 51 LEU HG 3.550 . 3.550 2.607 2.376 2.879 . 0 0 "[ . 1 . 2]" 1
422 1 51 LEU H 1 52 PHE H . . 4.130 2.596 2.486 2.766 . 0 0 "[ . 1 . 2]" 1
423 1 51 LEU H 1 53 SER H 5.690 . 5.690 4.075 3.686 4.462 . 0 0 "[ . 1 . 2]" 1
424 1 51 LEU H 1 61 MET ME 5.530 . 5.530 3.805 2.918 4.380 . 0 0 "[ . 1 . 2]" 1
425 1 51 LEU HA 1 51 LEU MD2 3.900 . 3.900 2.032 1.959 2.150 . 0 0 "[ . 1 . 2]" 1
426 1 51 LEU HA 1 52 PHE H . . 4.870 3.572 3.537 3.616 . 0 0 "[ . 1 . 2]" 1
427 1 51 LEU HA 1 54 ARG HB2 6.300 . 6.300 3.666 2.291 5.212 . 0 0 "[ . 1 . 2]" 1
428 1 51 LEU HA 1 61 MET ME . . 4.780 3.334 2.687 4.523 . 0 0 "[ . 1 . 2]" 1
429 1 51 LEU HB2 1 52 PHE H 3.780 . 3.780 2.777 2.427 3.000 . 0 0 "[ . 1 . 2]" 1
430 1 51 LEU HB3 1 52 PHE H 4.470 . 4.470 3.666 3.315 3.887 . 0 0 "[ . 1 . 2]" 1
431 1 51 LEU MD2 1 54 ARG HD2 5.520 . 5.520 3.610 2.635 5.573 0.053 16 0 "[ . 1 . 2]" 1
432 1 51 LEU MD2 1 54 ARG HD3 5.290 . 5.290 2.812 1.971 4.411 . 0 0 "[ . 1 . 2]" 1
433 1 51 LEU MD2 1 61 MET ME . . 3.430 2.296 1.728 3.346 . 0 0 "[ . 1 . 2]" 1
434 1 51 LEU HG 1 61 MET ME 3.620 . 3.620 3.271 2.076 3.668 0.048 9 0 "[ . 1 . 2]" 1
435 1 52 PHE H 1 52 PHE HB2 4.140 . 4.140 2.619 2.428 2.703 . 0 0 "[ . 1 . 2]" 1
436 1 52 PHE H 1 52 PHE HB3 4.040 . 4.040 2.587 2.377 3.661 . 0 0 "[ . 1 . 2]" 1
437 1 52 PHE H 1 52 PHE QD 5.490 . 5.490 4.159 3.211 4.298 . 0 0 "[ . 1 . 2]" 1
438 1 52 PHE H 1 53 SER H 4.360 . 4.360 2.742 2.546 2.859 . 0 0 "[ . 1 . 2]" 1
439 1 52 PHE HA 1 53 SER H 4.420 . 4.420 3.557 3.518 3.595 . 0 0 "[ . 1 . 2]" 1
440 1 52 PHE HB2 1 53 SER H 4.880 . 4.880 3.842 2.620 4.179 . 0 0 "[ . 1 . 2]" 1
441 1 52 PHE HB2 1 93 MET ME 4.850 . 4.850 3.419 2.075 4.954 0.104 15 0 "[ . 1 . 2]" 1
442 1 52 PHE HB3 1 53 SER H 4.560 . 4.560 2.761 2.394 3.838 . 0 0 "[ . 1 . 2]" 1
443 1 52 PHE QD 1 53 SER H 4.710 . 4.710 3.720 3.121 4.499 . 0 0 "[ . 1 . 2]" 1
444 1 52 PHE QD 1 88 ALA MB 4.790 . 4.790 4.822 4.079 5.124 0.334 15 0 "[ . 1 . 2]" 1
445 1 52 PHE QD 1 93 MET ME 4.530 . 4.530 3.205 1.781 4.244 . 0 0 "[ . 1 . 2]" 1
446 1 52 PHE QD 1 93 MET HG2 . . 4.760 4.134 2.510 4.908 0.148 20 0 "[ . 1 . 2]" 1
447 1 53 SER H 1 54 ARG H . . 4.480 2.681 2.464 2.860 . 0 0 "[ . 1 . 2]" 1
448 1 53 SER HA 1 54 ARG H 5.850 . 5.850 3.547 3.499 3.606 . 0 0 "[ . 1 . 2]" 1
449 1 54 ARG H 1 54 ARG HB2 4.140 . 4.140 2.872 2.186 3.677 . 0 0 "[ . 1 . 2]" 1
450 1 54 ARG H 1 54 ARG HB3 4.170 . 4.170 2.646 2.247 3.638 . 0 0 "[ . 1 . 2]" 1
451 1 54 ARG H 1 54 ARG HD3 5.800 . 5.800 4.633 2.666 5.130 . 0 0 "[ . 1 . 2]" 1
452 1 54 ARG H 1 55 ASP H 4.280 . 4.280 2.713 2.521 2.936 . 0 0 "[ . 1 . 2]" 1
453 1 54 ARG HA 1 55 ASP H 5.090 . 5.090 3.570 3.475 3.652 . 0 0 "[ . 1 . 2]" 1
454 1 54 ARG HA 1 55 ASP HA 6.300 . 6.300 4.803 4.676 4.889 . 0 0 "[ . 1 . 2]" 1
455 1 54 ARG HA 1 58 ASN H 4.650 . 4.650 3.653 2.767 4.732 0.082 3 0 "[ . 1 . 2]" 1
456 1 54 ARG HA 1 59 ASP H 5.650 . 5.650 3.966 1.648 5.390 . 0 0 "[ . 1 . 2]" 1
457 1 54 ARG HA 1 59 ASP HA 5.330 . 5.330 3.175 1.816 4.749 . 0 0 "[ . 1 . 2]" 1
458 1 54 ARG HB2 1 55 ASP H 4.550 . 4.550 3.758 2.741 4.077 . 0 0 "[ . 1 . 2]" 1
459 1 54 ARG HB3 1 59 ASP HA 5.520 . 5.520 4.004 2.101 5.589 0.069 9 0 "[ . 1 . 2]" 1
460 1 54 ARG HD2 1 61 MET ME 4.850 . 4.850 3.477 2.171 4.910 0.060 8 0 "[ . 1 . 2]" 1
461 1 54 ARG HD3 1 61 MET ME 4.740 . 4.740 3.594 2.227 4.709 . 0 0 "[ . 1 . 2]" 1
462 1 54 ARG HG3 1 55 ASP HA 6.300 . 6.300 4.791 3.243 6.342 0.042 5 0 "[ . 1 . 2]" 1
463 1 55 ASP H 1 55 ASP HB2 4.050 . 4.050 2.561 2.378 3.697 . 0 0 "[ . 1 . 2]" 1
464 1 55 ASP H 1 56 ARG H 4.230 . 4.230 2.613 2.413 2.773 . 0 0 "[ . 1 . 2]" 1
465 1 55 ASP HA 1 56 ARG H 4.180 . 4.180 3.468 3.312 3.535 . 0 0 "[ . 1 . 2]" 1
466 1 55 ASP HB2 1 56 ARG H 5.100 . 5.100 3.723 2.728 4.287 . 0 0 "[ . 1 . 2]" 1
467 1 56 ARG H 1 56 ARG HB3 4.080 . 4.080 2.776 2.338 3.667 . 0 0 "[ . 1 . 2]" 1
468 1 56 ARG H 1 58 ASN H 5.190 . 5.190 4.670 3.779 5.289 0.099 7 0 "[ . 1 . 2]" 1
469 1 56 ARG HA 1 57 GLY H 4.990 . 4.990 3.273 2.268 3.621 . 0 0 "[ . 1 . 2]" 1
470 1 57 GLY H 1 58 ASN H . . 4.240 2.930 1.888 3.806 . 0 0 "[ . 1 . 2]" 1
471 1 57 GLY HA2 1 58 ASN H 5.280 . 5.280 3.358 2.645 3.601 . 0 0 "[ . 1 . 2]" 1
472 1 58 ASN HB2 1 59 ASP H 4.470 . 4.470 3.470 2.233 4.500 0.030 7 0 "[ . 1 . 2]" 1
473 1 59 ASP HA 1 60 LEU H 4.210 . 4.210 2.699 2.155 3.609 . 0 0 "[ . 1 . 2]" 1
474 1 59 ASP HA 1 61 MET H 5.180 . 5.180 3.971 3.366 4.969 . 0 0 "[ . 1 . 2]" 1
475 1 61 MET H 1 62 THR H 4.090 . 4.090 3.231 2.161 4.183 0.093 1 0 "[ . 1 . 2]" 1
476 1 62 THR H 1 62 THR HB 4.180 . 4.180 3.267 2.520 3.881 . 0 0 "[ . 1 . 2]" 1
477 1 62 THR HA 1 63 PRO HD3 4.180 . 4.180 2.372 1.941 2.843 . 0 0 "[ . 1 . 2]" 1
478 1 62 THR HA 1 63 PRO HG2 4.690 . 4.690 4.525 4.098 4.740 0.050 1 0 "[ . 1 . 2]" 1
479 1 62 THR MG 1 63 PRO HD2 3.950 . 3.950 3.164 2.357 3.976 0.026 14 0 "[ . 1 . 2]" 1
480 1 62 THR MG 1 63 PRO HD3 4.410 . 4.410 3.905 3.343 4.519 0.109 11 0 "[ . 1 . 2]" 1
481 1 62 THR MG 1 64 ARG QD 5.370 . 5.370 4.136 2.324 5.493 0.123 3 0 "[ . 1 . 2]" 1
482 1 62 THR MG 1 64 ARG HG3 5.750 . 5.750 4.045 1.811 5.379 . 0 0 "[ . 1 . 2]" 1
483 1 64 ARG HA 1 64 ARG QD . . 5.100 4.064 2.100 4.345 . 0 0 "[ . 1 . 2]" 1
484 1 64 ARG HA 1 65 PRO HD2 4.230 . 4.230 2.401 2.150 2.856 . 0 0 "[ . 1 . 2]" 1
485 1 64 ARG HA 1 65 PRO HD3 4.330 . 4.330 2.513 2.291 2.800 . 0 0 "[ . 1 . 2]" 1
486 1 64 ARG HA 1 65 PRO HG2 4.860 . 4.860 4.567 4.367 4.847 . 0 0 "[ . 1 . 2]" 1
487 1 64 ARG HB3 1 65 PRO HD3 4.950 . 4.950 4.267 3.262 5.106 0.156 11 0 "[ . 1 . 2]" 1
488 1 64 ARG HB3 1 66 GLU H 4.850 . 4.850 3.283 2.403 4.910 0.060 11 0 "[ . 1 . 2]" 1
489 1 65 PRO HB3 1 65 PRO HD3 . . 4.270 3.026 2.868 3.929 . 0 0 "[ . 1 . 2]" 1
490 1 65 PRO HD2 1 66 GLU H 6.280 . 6.280 3.066 2.506 3.999 . 0 0 "[ . 1 . 2]" 1
491 1 65 PRO HD2 1 66 GLU HB2 4.850 . 4.850 4.725 4.278 5.007 0.157 13 0 "[ . 1 . 2]" 1
492 1 65 PRO HG2 1 66 GLU HA 5.170 . 5.170 4.642 3.989 5.358 0.188 14 0 "[ . 1 . 2]" 1
493 1 65 PRO HG3 1 66 GLU H 5.590 . 5.590 4.459 3.648 5.428 . 0 0 "[ . 1 . 2]" 1
494 1 66 GLU H 1 67 PHE H 4.920 . 4.920 3.804 2.343 4.645 . 0 0 "[ . 1 . 2]" 1
495 1 66 GLU HA 1 67 PHE H 4.600 . 4.600 2.726 2.133 3.586 . 0 0 "[ . 1 . 2]" 1
496 1 66 GLU HB2 1 67 PHE H 4.210 . 4.210 3.557 1.790 4.450 0.240 13 0 "[ . 1 . 2]" 1
497 1 67 PHE H 1 68 ASN H . . 3.770 2.801 1.929 3.897 0.127 6 0 "[ . 1 . 2]" 1
498 1 67 PHE H 1 68 ASN HA 4.960 . 4.960 4.677 4.063 5.120 0.160 19 0 "[ . 1 . 2]" 1
499 1 67 PHE HA 1 68 ASN H 4.760 . 4.760 3.074 2.153 3.606 . 0 0 "[ . 1 . 2]" 1
500 1 67 PHE QB 1 69 PHE H 5.830 . 5.830 4.734 3.133 5.843 0.013 17 0 "[ . 1 . 2]" 1
501 1 68 ASN H 1 69 PHE H 4.180 . 4.180 3.412 2.476 4.319 0.139 1 0 "[ . 1 . 2]" 1
502 1 68 ASN HA 1 69 PHE H 3.820 . 3.820 2.881 2.136 3.612 . 0 0 "[ . 1 . 2]" 1
503 1 69 PHE H 1 69 PHE HB2 4.220 . 4.220 3.114 2.482 3.918 . 0 0 "[ . 1 . 2]" 1
504 1 69 PHE H 1 69 PHE HB3 4.250 . 4.250 3.473 2.466 4.121 . 0 0 "[ . 1 . 2]" 1
505 1 69 PHE HA 1 70 PRO HD2 4.700 . 4.700 2.621 2.118 4.514 . 0 0 "[ . 1 . 2]" 1
506 1 69 PHE HA 1 70 PRO HD3 4.840 . 4.840 2.560 1.989 4.046 . 0 0 "[ . 1 . 2]" 1
507 1 72 LEU HA 1 73 LYS H 3.570 . 3.570 2.249 2.123 2.695 . 0 0 "[ . 1 . 2]" 1
508 1 72 LEU HB2 1 73 LYS H 4.640 . 4.640 3.912 2.057 4.569 . 0 0 "[ . 1 . 2]" 1
509 1 72 LEU HB2 1 76 ASP HB3 6.300 . 6.300 4.950 1.881 6.447 0.147 4 0 "[ . 1 . 2]" 1
510 1 72 LEU HB3 1 76 ASP HB2 6.300 . 6.300 4.259 3.035 6.326 0.026 13 0 "[ . 1 . 2]" 1
511 1 72 LEU HB3 1 80 LEU HB2 6.070 . 6.070 5.252 3.632 6.155 0.085 13 0 "[ . 1 . 2]" 1
512 1 72 LEU QD 1 73 LYS H 4.490 . 4.490 3.516 2.754 4.460 . 0 0 "[ . 1 . 2]" 1
513 1 72 LEU QD 1 76 ASP H 5.870 . 5.870 4.549 2.817 6.029 0.159 18 0 "[ . 1 . 2]" 1
514 1 72 LEU QD 1 76 ASP HB3 5.190 . 5.190 3.090 1.860 4.808 . 0 0 "[ . 1 . 2]" 1
515 1 72 LEU QD 1 78 TRP HB3 5.130 . 5.130 3.600 2.048 4.912 . 0 0 "[ . 1 . 2]" 1
516 1 72 LEU QD 1 80 LEU MD2 4.530 . 4.530 2.792 1.698 4.192 . 0 0 "[ . 1 . 2]" 1
517 1 72 LEU HG 1 73 LYS H 5.680 . 5.680 4.723 3.048 5.752 0.072 1 0 "[ . 1 . 2]" 1
518 1 72 LEU HG 1 76 ASP HB2 6.040 . 6.040 5.065 2.470 6.227 0.187 20 0 "[ . 1 . 2]" 1
519 1 72 LEU HG 1 80 LEU MD2 4.130 . 4.130 3.485 1.957 4.204 0.074 18 0 "[ . 1 . 2]" 1
520 1 73 LYS H 1 73 LYS QD 4.130 . 4.130 3.223 1.746 4.278 0.148 13 0 "[ . 1 . 2]" 1
521 1 73 LYS H 1 73 LYS HG2 4.220 . 4.220 3.116 2.111 4.259 0.039 5 0 "[ . 1 . 2]" 1
522 1 73 LYS H 1 73 LYS HG3 4.960 . 4.960 3.463 1.879 4.480 . 0 0 "[ . 1 . 2]" 1
523 1 73 LYS H 1 76 ASP H . . 4.620 4.425 4.034 4.750 0.130 5 0 "[ . 1 . 2]" 1
524 1 73 LYS H 1 76 ASP HB2 4.580 . 4.580 2.942 2.322 3.919 . 0 0 "[ . 1 . 2]" 1
525 1 73 LYS H 1 76 ASP HB3 4.920 . 4.920 3.568 1.944 4.510 . 0 0 "[ . 1 . 2]" 1
526 1 73 LYS HA 1 73 LYS QD 4.940 . 4.940 3.519 2.071 4.599 . 0 0 "[ . 1 . 2]" 1
527 1 73 LYS HA 1 73 LYS QE 6.290 . 6.290 4.756 2.744 5.813 . 0 0 "[ . 1 . 2]" 1
528 1 73 LYS HA 1 73 LYS HG2 4.270 . 4.270 3.730 2.902 4.292 0.022 17 0 "[ . 1 . 2]" 1
529 1 73 LYS HA 1 74 ALA H 3.340 . 3.340 2.674 2.164 3.512 0.172 15 0 "[ . 1 . 2]" 1
530 1 73 LYS HA 1 74 ALA HA 5.580 . 5.580 4.405 4.198 4.911 . 0 0 "[ . 1 . 2]" 1
531 1 73 LYS HA 1 74 ALA MB 4.560 . 4.560 4.212 3.831 4.443 . 0 0 "[ . 1 . 2]" 1
532 1 73 LYS QB 1 74 ALA H 3.580 . 3.580 2.282 1.924 3.755 0.175 6 0 "[ . 1 . 2]" 1
533 1 73 LYS QD 1 74 ALA H 5.320 . 5.320 4.042 2.475 4.944 . 0 0 "[ . 1 . 2]" 1
534 1 74 ALA H 1 74 ALA MB 3.200 . 3.200 2.347 2.203 3.036 . 0 0 "[ . 1 . 2]" 1
535 1 74 ALA HA 1 75 GLY H 3.420 . 3.420 2.170 2.121 2.263 . 0 0 "[ . 1 . 2]" 1
536 1 74 ALA HA 1 76 ASP H 4.190 . 4.190 3.727 3.365 4.228 0.038 2 0 "[ . 1 . 2]" 1
537 1 74 ALA MB 1 75 GLY H 4.210 . 4.210 3.250 2.853 3.622 . 0 0 "[ . 1 . 2]" 1
538 1 74 ALA MB 1 76 ASP H 5.240 . 5.240 4.774 4.472 5.245 0.005 2 0 "[ . 1 . 2]" 1
539 1 75 GLY H 1 76 ASP H . . 4.020 2.453 2.076 2.784 . 0 0 "[ . 1 . 2]" 1
540 1 75 GLY HA2 1 76 ASP H 4.530 . 4.530 3.091 2.624 3.414 . 0 0 "[ . 1 . 2]" 1
541 1 75 GLY HA3 1 76 ASP H 5.530 . 5.530 3.438 3.213 3.579 . 0 0 "[ . 1 . 2]" 1
542 1 76 ASP H 1 76 ASP HB2 3.830 . 3.830 2.632 2.378 3.233 . 0 0 "[ . 1 . 2]" 1
543 1 76 ASP H 1 76 ASP HB3 3.840 . 3.840 3.418 2.643 3.780 . 0 0 "[ . 1 . 2]" 1
544 1 76 ASP H 1 77 ARG H 5.510 . 5.510 4.187 3.881 4.553 . 0 0 "[ . 1 . 2]" 1
545 1 76 ASP H 1 80 LEU MD2 6.300 . 6.300 5.679 4.684 6.194 . 0 0 "[ . 1 . 2]" 1
546 1 76 ASP HB2 1 77 ARG H 4.920 . 4.920 4.488 4.081 4.700 . 0 0 "[ . 1 . 2]" 1
547 1 76 ASP HB3 1 77 ARG H 4.590 . 4.590 3.957 3.484 4.472 . 0 0 "[ . 1 . 2]" 1
548 1 77 ARG HA 1 78 TRP H 3.810 . 3.810 2.248 2.147 2.344 . 0 0 "[ . 1 . 2]" 1
549 1 77 ARG QB 1 78 TRP H 4.730 . 4.730 3.845 3.694 4.096 . 0 0 "[ . 1 . 2]" 1
550 1 78 TRP H 1 80 LEU HA 5.520 . 5.520 4.797 4.365 5.303 . 0 0 "[ . 1 . 2]" 1
551 1 78 TRP H 1 80 LEU HB2 6.160 . 6.160 3.082 2.756 3.358 . 0 0 "[ . 1 . 2]" 1
552 1 80 LEU H 1 80 LEU HG 4.820 . 4.820 4.656 4.587 4.730 . 0 0 "[ . 1 . 2]" 1
553 1 80 LEU MD1 1 82 ALA H 6.300 . 6.300 3.905 3.534 4.408 . 0 0 "[ . 1 . 2]" 1
554 1 80 LEU MD1 1 84 ARG H 4.880 . 4.880 3.919 3.370 4.432 . 0 0 "[ . 1 . 2]" 1
555 1 80 LEU MD1 1 85 TRP HA 5.830 . 5.830 3.656 3.122 4.379 . 0 0 "[ . 1 . 2]" 1
556 1 80 LEU MD1 1 85 TRP QB 6.260 . 6.260 2.188 1.962 2.545 . 0 0 "[ . 1 . 2]" 1
557 1 80 LEU MD1 1 85 TRP HD1 . . 3.960 4.138 3.915 4.319 0.359 20 0 "[ . 1 . 2]" 1
558 1 80 LEU MD1 1 85 TRP HE1 6.070 . 6.070 5.936 5.643 6.180 0.110 20 0 "[ . 1 . 2]" 1
559 1 80 LEU MD2 1 82 ALA H 6.300 . 6.300 5.537 5.070 6.360 0.060 17 0 "[ . 1 . 2]" 1
560 1 82 ALA H 1 83 SER H . . 4.760 2.833 2.741 2.964 . 0 0 "[ . 1 . 2]" 1
561 1 82 ALA H 1 84 ARG H 5.900 . 5.900 4.460 4.275 4.684 . 0 0 "[ . 1 . 2]" 1
562 1 82 ALA HA 1 83 SER H 5.640 . 5.640 3.523 3.498 3.567 . 0 0 "[ . 1 . 2]" 1
563 1 82 ALA HA 1 85 TRP H 5.630 . 5.630 3.409 3.141 3.971 . 0 0 "[ . 1 . 2]" 1
564 1 82 ALA MB 1 83 SER H 4.170 . 4.170 2.829 2.321 2.994 . 0 0 "[ . 1 . 2]" 1
565 1 82 ALA MB 1 85 TRP H 5.310 . 5.310 4.642 4.441 5.024 . 0 0 "[ . 1 . 2]" 1
566 1 82 ALA MB 1 85 TRP HD1 4.080 . 4.080 3.570 2.671 4.194 0.114 11 0 "[ . 1 . 2]" 1
567 1 82 ALA MB 1 109 TYR HA 5.310 . 5.310 4.470 4.086 4.888 . 0 0 "[ . 1 . 2]" 1
568 1 82 ALA MB 1 109 TYR HB2 . . 4.850 2.060 1.762 2.757 . 0 0 "[ . 1 . 2]" 1
569 1 82 ALA MB 1 109 TYR HB3 . . 4.590 2.719 2.223 2.999 . 0 0 "[ . 1 . 2]" 1
570 1 82 ALA MB 1 109 TYR QD 4.560 . 4.560 3.100 2.512 3.829 . 0 0 "[ . 1 . 2]" 1
571 1 82 ALA MB 1 110 VAL H 6.020 . 6.020 3.327 2.821 4.182 . 0 0 "[ . 1 . 2]" 1
572 1 82 ALA MB 1 110 VAL MG1 4.660 . 4.660 2.534 1.737 4.135 . 0 0 "[ . 1 . 2]" 1
573 1 82 ALA MB 1 110 VAL MG2 4.080 . 4.080 3.171 1.816 3.975 . 0 0 "[ . 1 . 2]" 1
574 1 83 SER H 1 84 ARG H 4.650 . 4.650 2.772 2.624 2.944 . 0 0 "[ . 1 . 2]" 1
575 1 83 SER H 1 85 TRP H 6.000 . 6.000 4.376 4.082 4.818 . 0 0 "[ . 1 . 2]" 1
576 1 83 SER HA 1 85 TRP H 5.500 . 5.500 4.588 4.251 4.921 . 0 0 "[ . 1 . 2]" 1
577 1 83 SER HA 1 86 GLN HG2 6.300 . 6.300 4.138 3.386 4.869 . 0 0 "[ . 1 . 2]" 1
578 1 83 SER HB3 1 84 ARG H . . 5.940 3.555 2.594 4.074 . 0 0 "[ . 1 . 2]" 1
579 1 84 ARG H 1 85 TRP H 3.970 . 3.970 2.667 2.535 2.872 . 0 0 "[ . 1 . 2]" 1
580 1 84 ARG H 1 85 TRP QB 5.490 . 5.490 4.365 4.198 4.632 . 0 0 "[ . 1 . 2]" 1
581 1 84 ARG H 1 86 GLN H 4.490 . 4.490 4.229 3.740 4.499 0.009 14 0 "[ . 1 . 2]" 1
582 1 84 ARG QB 1 86 GLN H 6.300 . 6.300 4.913 4.501 5.227 . 0 0 "[ . 1 . 2]" 1
583 1 85 TRP H 1 86 GLN H . . 3.900 2.708 2.569 2.828 . 0 0 "[ . 1 . 2]" 1
584 1 85 TRP H 1 86 GLN HB2 4.890 . 4.890 4.984 4.890 5.042 0.152 4 0 "[ . 1 . 2]" 1
585 1 85 TRP H 1 88 ALA MB 6.300 . 6.300 5.063 4.566 5.390 . 0 0 "[ . 1 . 2]" 1
586 1 85 TRP HA 1 86 GLN H 5.000 . 5.000 3.577 3.528 3.628 . 0 0 "[ . 1 . 2]" 1
587 1 85 TRP HA 1 88 ALA H . . 5.070 3.561 3.251 3.965 . 0 0 "[ . 1 . 2]" 1
588 1 85 TRP HA 1 88 ALA MB 5.070 . 5.070 2.966 2.537 3.347 . 0 0 "[ . 1 . 2]" 1
589 1 85 TRP HA 1 97 VAL MG1 6.300 . 6.300 6.531 6.430 6.644 0.344 12 0 "[ . 1 . 2]" 1
590 1 85 TRP QB 1 86 GLN H 4.550 . 4.550 2.736 2.400 2.945 . 0 0 "[ . 1 . 2]" 1
591 1 85 TRP QB 1 110 VAL MG2 5.450 . 5.450 4.542 3.484 5.497 0.047 5 0 "[ . 1 . 2]" 1
592 1 85 TRP HD1 1 97 VAL MG1 5.100 . 5.100 4.729 4.069 5.154 0.054 11 0 "[ . 1 . 2]" 1
593 1 85 TRP HD1 1 110 VAL HB 5.640 . 5.640 4.065 3.020 5.337 . 0 0 "[ . 1 . 2]" 1
594 1 85 TRP HD1 1 110 VAL MG1 5.340 . 5.340 2.423 1.621 3.196 . 0 0 "[ . 1 . 2]" 1
595 1 85 TRP HD1 1 110 VAL MG2 . . 4.500 2.999 1.940 4.179 . 0 0 "[ . 1 . 2]" 1
596 1 85 TRP HD1 1 115 LEU MD1 5.510 . 5.510 5.089 4.380 5.556 0.046 11 0 "[ . 1 . 2]" 1
597 1 85 TRP HE1 1 97 VAL MG1 3.970 . 3.970 3.143 1.922 3.761 . 0 0 "[ . 1 . 2]" 1
598 1 85 TRP HE1 1 97 VAL MG2 5.060 . 5.060 3.586 2.470 4.614 . 0 0 "[ . 1 . 2]" 1
599 1 85 TRP HE1 1 115 LEU HB3 5.390 . 5.390 4.499 3.346 5.166 . 0 0 "[ . 1 . 2]" 1
600 1 85 TRP HE1 1 115 LEU MD2 4.440 . 4.440 1.657 1.441 1.961 . 0 0 "[ . 1 . 2]" 1
601 1 85 TRP HH2 1 94 ALA MB 5.110 . 5.110 2.455 2.154 2.843 . 0 0 "[ . 1 . 2]" 1
602 1 85 TRP HH2 1 97 VAL MG1 5.030 . 5.030 3.186 2.858 3.782 . 0 0 "[ . 1 . 2]" 1
603 1 85 TRP HH2 1 115 LEU HA . . 4.630 4.344 3.771 4.789 0.159 9 0 "[ . 1 . 2]" 1
604 1 85 TRP HH2 1 118 HIS HB3 6.300 . 6.300 3.081 2.532 4.077 . 0 0 "[ . 1 . 2]" 1
605 1 85 TRP HZ2 1 94 ALA MB 4.250 . 4.250 4.221 3.923 4.426 0.176 5 0 "[ . 1 . 2]" 1
606 1 85 TRP HZ2 1 97 VAL MG1 . . 4.190 2.472 2.034 2.851 . 0 0 "[ . 1 . 2]" 1
607 1 85 TRP HZ2 1 115 LEU HA . . 4.850 2.323 1.915 2.807 . 0 0 "[ . 1 . 2]" 1
608 1 85 TRP HZ2 1 115 LEU MD1 6.300 . 6.300 5.507 5.118 5.856 . 0 0 "[ . 1 . 2]" 1
609 1 85 TRP HZ2 1 118 HIS H . . 5.080 4.222 3.651 5.073 . 0 0 "[ . 1 . 2]" 1
610 1 86 GLN H 1 86 GLN HB2 4.280 . 4.280 2.460 2.317 2.607 . 0 0 "[ . 1 . 2]" 1
611 1 86 GLN H 1 86 GLN HB3 4.220 . 4.220 2.565 2.430 2.752 . 0 0 "[ . 1 . 2]" 1
612 1 86 GLN H 1 87 GLU H 4.330 . 4.330 2.881 2.663 3.063 . 0 0 "[ . 1 . 2]" 1
613 1 86 GLN H 1 88 ALA H 6.300 . 6.300 4.333 3.902 4.545 . 0 0 "[ . 1 . 2]" 1
614 1 86 GLN H 1 110 VAL MG2 4.840 . 4.840 4.408 3.211 5.254 0.414 5 0 "[ . 1 . 2]" 1
615 1 86 GLN HA 1 86 GLN HE22 5.620 . 5.620 3.588 3.141 4.282 . 0 0 "[ . 1 . 2]" 1
616 1 86 GLN HA 1 87 GLU H 4.010 . 4.010 3.563 3.539 3.599 . 0 0 "[ . 1 . 2]" 1
617 1 86 GLN HA 1 88 ALA H 4.510 . 4.510 4.378 4.093 4.573 0.063 1 0 "[ . 1 . 2]" 1
618 1 86 GLN HA 1 89 PHE H 4.470 . 4.470 3.588 3.356 3.970 . 0 0 "[ . 1 . 2]" 1
619 1 86 GLN HA 1 89 PHE QB 4.800 . 4.800 2.983 2.504 3.615 . 0 0 "[ . 1 . 2]" 1
620 1 86 GLN HA 1 90 GLU H 5.020 . 5.020 4.437 4.105 4.660 . 0 0 "[ . 1 . 2]" 1
621 1 86 GLN HA 1 90 GLU HG2 6.300 . 6.300 5.460 3.894 6.341 0.041 7 0 "[ . 1 . 2]" 1
622 1 86 GLN HA 1 110 VAL MG1 5.480 . 5.480 3.837 2.421 5.546 0.066 10 0 "[ . 1 . 2]" 1
623 1 86 GLN HA 1 110 VAL MG2 4.800 . 4.800 4.146 2.401 5.303 0.503 7 2 "[ - + 1 . 2]" 1
624 1 86 GLN HB2 1 86 GLN HE22 5.450 . 5.450 4.631 4.163 4.946 . 0 0 "[ . 1 . 2]" 1
625 1 86 GLN HB2 1 88 ALA H 6.300 . 6.300 5.880 5.663 6.038 . 0 0 "[ . 1 . 2]" 1
626 1 86 GLN HB2 1 110 VAL MG2 . . 4.360 3.337 1.738 4.335 . 0 0 "[ . 1 . 2]" 1
627 1 86 GLN HE21 1 87 GLU HA 4.590 . 4.590 4.449 3.846 4.826 0.236 5 0 "[ . 1 . 2]" 1
628 1 86 GLN HE21 1 90 GLU HG2 5.180 . 5.180 2.850 1.779 4.123 . 0 0 "[ . 1 . 2]" 1
629 1 86 GLN HE21 1 90 GLU HG3 4.860 . 4.860 2.392 1.725 3.453 . 0 0 "[ . 1 . 2]" 1
630 1 86 GLN HE22 1 89 PHE QD . . 4.510 2.704 1.708 3.800 . 0 0 "[ . 1 . 2]" 1
631 1 86 GLN HE22 1 90 GLU QB 6.080 . 6.080 5.042 4.435 5.560 . 0 0 "[ . 1 . 2]" 1
632 1 86 GLN HE22 1 90 GLU HG2 5.040 . 5.040 3.558 2.475 4.372 . 0 0 "[ . 1 . 2]" 1
633 1 86 GLN HE22 1 90 GLU HG3 4.860 . 4.860 3.417 2.458 4.941 0.081 14 0 "[ . 1 . 2]" 1
634 1 86 GLN HG2 1 110 VAL MG2 4.600 . 4.600 4.438 2.934 5.577 0.977 19 2 "[ . 1 .- +2]" 1
635 1 86 GLN HG3 1 87 GLU H 4.440 . 4.440 3.834 3.609 4.106 . 0 0 "[ . 1 . 2]" 1
636 1 87 GLU H 1 87 GLU QB 3.580 . 3.580 2.270 2.208 2.499 . 0 0 "[ . 1 . 2]" 1
637 1 87 GLU H 1 88 ALA H 4.250 . 4.250 2.754 2.616 2.855 . 0 0 "[ . 1 . 2]" 1
638 1 87 GLU HA 1 88 ALA H 4.820 . 4.820 3.557 3.499 3.596 . 0 0 "[ . 1 . 2]" 1
639 1 87 GLU HA 1 88 ALA MB 5.310 . 5.310 5.078 5.037 5.111 . 0 0 "[ . 1 . 2]" 1
640 1 87 GLU HA 1 89 PHE H 6.300 . 6.300 4.420 4.058 4.668 . 0 0 "[ . 1 . 2]" 1
641 1 87 GLU HA 1 90 GLU QB 5.270 . 5.270 2.669 2.291 3.281 . 0 0 "[ . 1 . 2]" 1
642 1 87 GLU QB 1 88 ALA H 4.150 . 4.150 2.704 2.453 3.034 . 0 0 "[ . 1 . 2]" 1
643 1 87 GLU QG 1 88 ALA H 5.540 . 5.540 3.827 3.486 4.682 . 0 0 "[ . 1 . 2]" 1
644 1 87 GLU QG 1 88 ALA MB 5.590 . 5.590 4.573 3.998 5.707 0.117 6 0 "[ . 1 . 2]" 1
645 1 88 ALA H 1 88 ALA MB 3.600 . 3.600 2.259 2.233 2.311 . 0 0 "[ . 1 . 2]" 1
646 1 88 ALA H 1 89 PHE H 3.960 . 3.960 2.698 2.573 2.861 . 0 0 "[ . 1 . 2]" 1
647 1 88 ALA H 1 89 PHE QB 6.300 . 6.300 4.450 4.289 4.665 . 0 0 "[ . 1 . 2]" 1
648 1 88 ALA H 1 90 GLU H 6.300 . 6.300 4.226 3.997 4.468 . 0 0 "[ . 1 . 2]" 1
649 1 88 ALA H 1 94 ALA MB 5.430 . 5.430 5.265 4.594 5.667 0.237 8 0 "[ . 1 . 2]" 1
650 1 88 ALA HA 1 89 PHE H 5.020 . 5.020 3.563 3.522 3.594 . 0 0 "[ . 1 . 2]" 1
651 1 88 ALA HA 1 91 ALA H 5.040 . 5.040 3.483 3.143 3.811 . 0 0 "[ . 1 . 2]" 1
652 1 88 ALA HA 1 91 ALA MB 4.920 . 4.920 2.552 2.223 2.986 . 0 0 "[ . 1 . 2]" 1
653 1 88 ALA HA 1 93 MET H 5.060 . 5.060 4.078 3.535 4.685 . 0 0 "[ . 1 . 2]" 1
654 1 88 ALA HA 1 93 MET HB2 6.300 . 6.300 4.004 3.088 5.794 . 0 0 "[ . 1 . 2]" 1
655 1 88 ALA HA 1 93 MET HB3 5.660 . 5.660 5.187 3.183 5.764 0.104 10 0 "[ . 1 . 2]" 1
656 1 88 ALA HA 1 94 ALA H 4.370 . 4.370 3.929 3.375 4.570 0.200 6 0 "[ . 1 . 2]" 1
657 1 88 ALA MB 1 89 PHE H 4.050 . 4.050 2.637 2.506 2.914 . 0 0 "[ . 1 . 2]" 1
658 1 88 ALA MB 1 89 PHE HA 5.470 . 5.470 3.989 3.793 4.131 . 0 0 "[ . 1 . 2]" 1
659 1 88 ALA MB 1 90 GLU H 6.300 . 6.300 4.682 4.543 4.852 . 0 0 "[ . 1 . 2]" 1
660 1 88 ALA MB 1 93 MET H 4.750 . 4.750 4.177 3.691 4.592 . 0 0 "[ . 1 . 2]" 1
661 1 88 ALA MB 1 93 MET HB3 . . 5.110 4.230 2.925 5.262 0.152 16 0 "[ . 1 . 2]" 1
662 1 88 ALA MB 1 93 MET HG2 5.430 . 5.430 4.813 3.691 5.644 0.214 3 0 "[ . 1 . 2]" 1
663 1 88 ALA MB 1 94 ALA H 4.950 . 4.950 2.698 1.982 3.576 . 0 0 "[ . 1 . 2]" 1
664 1 88 ALA MB 1 94 ALA HA 4.610 . 4.610 2.339 1.921 2.881 . 0 0 "[ . 1 . 2]" 1
665 1 88 ALA MB 1 94 ALA MB . . 4.670 3.339 2.638 3.880 . 0 0 "[ . 1 . 2]" 1
666 1 89 PHE H 1 89 PHE QD 4.560 . 4.560 4.250 4.180 4.283 . 0 0 "[ . 1 . 2]" 1
667 1 89 PHE H 1 90 GLU QB 4.760 . 4.760 4.680 4.551 4.776 0.016 7 0 "[ . 1 . 2]" 1
668 1 89 PHE H 1 91 ALA H 5.920 . 5.920 3.975 3.828 4.159 . 0 0 "[ . 1 . 2]" 1
669 1 89 PHE H 1 92 GLY H 5.480 . 5.480 4.866 4.473 5.248 . 0 0 "[ . 1 . 2]" 1
670 1 89 PHE H 1 94 ALA H 5.180 . 5.180 4.412 3.841 5.076 . 0 0 "[ . 1 . 2]" 1
671 1 89 PHE H 1 94 ALA MB 4.570 . 4.570 3.372 2.872 3.835 . 0 0 "[ . 1 . 2]" 1
672 1 89 PHE HA 1 90 GLU H 6.300 . 6.300 3.560 3.531 3.589 . 0 0 "[ . 1 . 2]" 1
673 1 89 PHE HA 1 93 MET H 4.830 . 4.830 4.006 2.845 4.851 0.021 7 0 "[ . 1 . 2]" 1
674 1 89 PHE HA 1 94 ALA H 4.820 . 4.820 3.416 2.998 3.967 . 0 0 "[ . 1 . 2]" 1
675 1 89 PHE HA 1 94 ALA MB . . 3.980 1.805 1.554 2.139 . 0 0 "[ . 1 . 2]" 1
676 1 89 PHE QB 1 90 GLU H 6.300 . 6.300 2.527 2.402 2.832 . 0 0 "[ . 1 . 2]" 1
677 1 89 PHE QB 1 94 ALA MB . . 4.410 2.635 2.046 3.170 . 0 0 "[ . 1 . 2]" 1
678 1 89 PHE QD 1 90 GLU HG2 . . 4.210 3.438 2.839 4.070 . 0 0 "[ . 1 . 2]" 1
679 1 89 PHE QD 1 90 GLU HG3 . . 4.890 3.667 2.407 4.997 0.107 14 0 "[ . 1 . 2]" 1
680 1 89 PHE QD 1 94 ALA MB 4.260 . 4.260 2.405 1.925 3.185 . 0 0 "[ . 1 . 2]" 1
681 1 90 GLU H 1 90 GLU QB 3.720 . 3.720 2.441 2.331 2.553 . 0 0 "[ . 1 . 2]" 1
682 1 90 GLU H 1 90 GLU HG2 3.890 . 3.890 3.122 2.044 3.585 . 0 0 "[ . 1 . 2]" 1
683 1 90 GLU H 1 90 GLU HG3 4.490 . 4.490 2.665 2.109 3.796 . 0 0 "[ . 1 . 2]" 1
684 1 90 GLU H 1 91 ALA H . . 4.110 2.634 2.526 2.704 . 0 0 "[ . 1 . 2]" 1
685 1 90 GLU HA 1 90 GLU HG3 . . 4.300 3.285 2.990 3.866 . 0 0 "[ . 1 . 2]" 1
686 1 90 GLU HA 1 91 ALA H 4.610 . 4.610 3.500 3.451 3.543 . 0 0 "[ . 1 . 2]" 1
687 1 90 GLU QB 1 91 ALA H 4.240 . 4.240 2.899 2.619 3.059 . 0 0 "[ . 1 . 2]" 1
688 1 91 ALA H 1 91 ALA MB 3.490 . 3.490 2.278 2.248 2.309 . 0 0 "[ . 1 . 2]" 1
689 1 91 ALA H 1 92 GLY H . . 3.870 2.501 2.318 2.709 . 0 0 "[ . 1 . 2]" 1
690 1 91 ALA H 1 93 MET H 4.600 . 4.600 4.003 3.586 4.350 . 0 0 "[ . 1 . 2]" 1
691 1 91 ALA HA 1 92 GLY H 4.900 . 4.900 3.436 3.329 3.556 . 0 0 "[ . 1 . 2]" 1
692 1 91 ALA HA 1 93 MET H 5.200 . 5.200 4.774 4.402 5.237 0.037 16 0 "[ . 1 . 2]" 1
693 1 91 ALA MB 1 92 GLY H 4.420 . 4.420 3.068 2.847 3.316 . 0 0 "[ . 1 . 2]" 1
694 1 91 ALA MB 1 92 GLY HA3 5.330 . 5.330 4.413 4.266 4.531 . 0 0 "[ . 1 . 2]" 1
695 1 91 ALA MB 1 93 MET H 4.730 . 4.730 2.978 2.544 3.549 . 0 0 "[ . 1 . 2]" 1
696 1 91 ALA MB 1 93 MET HG2 5.310 . 5.310 3.673 2.153 4.887 . 0 0 "[ . 1 . 2]" 1
697 1 91 ALA MB 1 93 MET HG3 . . 4.940 3.659 2.320 4.903 . 0 0 "[ . 1 . 2]" 1
698 1 92 GLY H 1 93 MET H . . 3.690 2.524 2.334 2.821 . 0 0 "[ . 1 . 2]" 1
699 1 92 GLY HA2 1 93 MET H 5.290 . 5.290 3.250 2.791 3.478 . 0 0 "[ . 1 . 2]" 1
700 1 92 GLY HA3 1 93 MET H 5.180 . 5.180 3.318 3.095 3.561 . 0 0 "[ . 1 . 2]" 1
701 1 93 MET H 1 93 MET HB3 4.170 . 4.170 3.521 2.512 3.840 . 0 0 "[ . 1 . 2]" 1
702 1 93 MET H 1 93 MET ME 5.880 . 5.880 4.353 2.743 5.911 0.031 2 0 "[ . 1 . 2]" 1
703 1 93 MET H 1 93 MET HG2 5.160 . 5.160 3.356 1.840 4.483 . 0 0 "[ . 1 . 2]" 1
704 1 93 MET H 1 93 MET HG3 4.650 . 4.650 3.309 2.010 4.518 . 0 0 "[ . 1 . 2]" 1
705 1 93 MET HA 1 93 MET ME 4.960 . 4.960 3.755 1.971 4.673 . 0 0 "[ . 1 . 2]" 1
706 1 93 MET HA 1 94 ALA H 4.210 . 4.210 3.413 2.937 3.594 . 0 0 "[ . 1 . 2]" 1
707 1 93 MET HB2 1 93 MET ME 4.000 . 4.000 2.945 1.892 4.064 0.064 8 0 "[ . 1 . 2]" 1
708 1 93 MET HB3 1 93 MET ME 4.730 . 4.730 2.925 2.017 4.334 . 0 0 "[ . 1 . 2]" 1
709 1 93 MET HB3 1 94 ALA H 5.850 . 5.850 3.431 1.899 4.532 . 0 0 "[ . 1 . 2]" 1
710 1 94 ALA H 1 94 ALA MB 3.560 . 3.560 2.662 2.189 2.922 . 0 0 "[ . 1 . 2]" 1
711 1 94 ALA MB 1 118 HIS HB2 5.700 . 5.700 3.481 2.185 4.847 . 0 0 "[ . 1 . 2]" 1
712 1 94 ALA MB 1 118 HIS HB3 4.880 . 4.880 3.894 3.047 4.812 . 0 0 "[ . 1 . 2]" 1
713 1 96 PRO HA 1 97 VAL H 3.530 . 3.530 2.202 2.125 2.252 . 0 0 "[ . 1 . 2]" 1
714 1 96 PRO HA 1 97 VAL HB 6.300 . 6.300 4.716 4.476 4.939 . 0 0 "[ . 1 . 2]" 1
715 1 96 PRO HA 1 97 VAL MG1 6.300 . 6.300 3.764 3.633 4.114 . 0 0 "[ . 1 . 2]" 1
716 1 96 PRO HA 1 118 HIS HB2 5.220 . 5.220 4.070 2.877 5.058 . 0 0 "[ . 1 . 2]" 1
717 1 96 PRO HA 1 118 HIS HB3 6.300 . 6.300 2.677 1.879 3.449 . 0 0 "[ . 1 . 2]" 1
718 1 96 PRO HB2 1 97 VAL H 4.890 . 4.890 3.887 3.069 4.273 . 0 0 "[ . 1 . 2]" 1
719 1 96 PRO HB3 1 97 VAL H 5.130 . 5.130 4.065 3.721 4.329 . 0 0 "[ . 1 . 2]" 1
720 1 97 VAL H 1 97 VAL HB 3.980 . 3.980 2.943 2.714 3.246 . 0 0 "[ . 1 . 2]" 1
721 1 97 VAL H 1 97 VAL MG1 4.170 . 4.170 2.045 1.903 2.309 . 0 0 "[ . 1 . 2]" 1
722 1 97 VAL H 1 98 VAL H 4.450 . 4.450 4.534 4.447 4.585 0.135 17 0 "[ . 1 . 2]" 1
723 1 97 VAL H 1 118 HIS HB2 5.040 . 5.040 3.969 2.849 5.177 0.137 17 0 "[ . 1 . 2]" 1
724 1 97 VAL H 1 118 HIS HB3 5.900 . 5.900 3.364 2.645 4.306 . 0 0 "[ . 1 . 2]" 1
725 1 97 VAL H 1 119 ALA MB 6.290 . 6.290 3.595 2.331 4.815 . 0 0 "[ . 1 . 2]" 1
726 1 97 VAL HB 1 98 VAL H 4.830 . 4.830 4.005 3.906 4.165 . 0 0 "[ . 1 . 2]" 1
727 1 97 VAL HB 1 115 LEU MD1 6.300 . 6.300 6.209 5.972 6.328 0.028 9 0 "[ . 1 . 2]" 1
728 1 97 VAL MG1 1 99 LEU HA 5.110 . 5.110 4.444 3.700 5.107 . 0 0 "[ . 1 . 2]" 1
729 1 97 VAL MG1 1 115 LEU H 4.880 . 4.880 4.521 4.254 4.818 . 0 0 "[ . 1 . 2]" 1
730 1 97 VAL MG1 1 115 LEU HA 4.730 . 4.730 2.114 1.825 2.557 . 0 0 "[ . 1 . 2]" 1
731 1 97 VAL MG1 1 115 LEU HB2 4.970 . 4.970 4.095 3.789 4.270 . 0 0 "[ . 1 . 2]" 1
732 1 97 VAL MG1 1 115 LEU MD1 . . 4.030 4.039 3.578 4.194 0.164 9 0 "[ . 1 . 2]" 1
733 1 97 VAL MG1 1 116 GLN H 6.300 . 6.300 4.714 4.544 5.165 . 0 0 "[ . 1 . 2]" 1
734 1 97 VAL MG1 1 118 HIS H 4.760 . 4.760 3.858 3.396 4.335 . 0 0 "[ . 1 . 2]" 1
735 1 97 VAL MG1 1 118 HIS HB2 6.060 . 6.060 3.276 2.151 4.625 . 0 0 "[ . 1 . 2]" 1
736 1 97 VAL MG1 1 118 HIS HB3 5.350 . 5.350 3.617 3.192 4.643 . 0 0 "[ . 1 . 2]" 1
737 1 97 VAL MG1 1 119 ALA HA 5.810 . 5.810 4.027 2.207 5.235 . 0 0 "[ . 1 . 2]" 1
738 1 97 VAL MG1 1 119 ALA MB 3.900 . 3.900 2.691 1.752 3.929 0.029 1 0 "[ . 1 . 2]" 1
739 1 97 VAL MG2 1 98 VAL H 4.270 . 4.270 2.223 1.825 2.581 . 0 0 "[ . 1 . 2]" 1
740 1 97 VAL MG2 1 98 VAL HA 5.380 . 5.380 4.082 3.951 4.280 . 0 0 "[ . 1 . 2]" 1
741 1 97 VAL MG2 1 98 VAL HB 5.190 . 5.190 4.685 4.379 4.938 . 0 0 "[ . 1 . 2]" 1
742 1 97 VAL MG2 1 98 VAL MG1 4.670 . 4.670 3.591 2.861 4.430 . 0 0 "[ . 1 . 2]" 1
743 1 97 VAL MG2 1 99 LEU HA . . 4.340 4.276 3.760 4.504 0.164 16 0 "[ . 1 . 2]" 1
744 1 97 VAL MG2 1 102 THR MG 5.240 . 5.240 2.985 2.063 3.725 . 0 0 "[ . 1 . 2]" 1
745 1 97 VAL MG2 1 115 LEU MD1 3.950 . 3.950 4.014 3.838 4.141 0.191 14 0 "[ . 1 . 2]" 1
746 1 97 VAL MG2 1 119 ALA MB 6.210 . 6.210 4.382 3.481 5.671 . 0 0 "[ . 1 . 2]" 1
747 1 98 VAL H 1 98 VAL HB 4.110 . 4.110 3.295 2.664 3.751 . 0 0 "[ . 1 . 2]" 1
748 1 98 VAL H 1 98 VAL MG1 3.850 . 3.850 2.246 1.849 2.884 . 0 0 "[ . 1 . 2]" 1
749 1 98 VAL H 1 99 LEU H 5.190 . 5.190 4.383 4.078 4.655 . 0 0 "[ . 1 . 2]" 1
750 1 98 VAL HA 1 99 LEU H 3.820 . 3.820 2.259 2.128 2.401 . 0 0 "[ . 1 . 2]" 1
751 1 98 VAL HB 1 101 SER HB2 6.130 . 6.130 4.361 3.139 5.509 . 0 0 "[ . 1 . 2]" 1
752 1 98 VAL HB 1 101 SER HB3 6.180 . 6.180 3.874 2.353 5.989 . 0 0 "[ . 1 . 2]" 1
753 1 98 VAL MG1 1 99 LEU H 5.660 . 5.660 4.150 3.788 4.394 . 0 0 "[ . 1 . 2]" 1
754 1 98 VAL MG1 1 101 SER HB3 6.170 . 6.170 2.864 1.791 3.785 . 0 0 "[ . 1 . 2]" 1
755 1 98 VAL MG1 1 102 THR H 4.330 . 4.330 4.115 2.978 4.857 0.527 2 1 "[ + . 1 . 2]" 1
756 1 98 VAL MG2 1 99 LEU H . . 5.030 3.677 2.919 4.418 . 0 0 "[ . 1 . 2]" 1
757 1 98 VAL MG2 1 100 GLN H 4.680 . 4.680 3.337 2.426 4.528 . 0 0 "[ . 1 . 2]" 1
758 1 98 VAL MG2 1 100 GLN HE21 5.490 . 5.490 4.705 2.766 5.670 0.180 10 0 "[ . 1 . 2]" 1
759 1 98 VAL MG2 1 100 GLN HG2 5.740 . 5.740 3.965 2.022 5.920 0.180 15 0 "[ . 1 . 2]" 1
760 1 98 VAL MG2 1 101 SER H 3.950 . 3.950 2.669 1.953 3.350 . 0 0 "[ . 1 . 2]" 1
761 1 98 VAL MG2 1 101 SER HA 6.280 . 6.280 4.222 3.940 4.840 . 0 0 "[ . 1 . 2]" 1
762 1 98 VAL MG2 1 101 SER HB2 4.970 . 4.970 2.942 2.040 3.366 . 0 0 "[ . 1 . 2]" 1
763 1 98 VAL MG2 1 101 SER HB3 4.840 . 4.840 2.319 1.724 3.566 . 0 0 "[ . 1 . 2]" 1
764 1 98 VAL MG2 1 102 THR H 6.230 . 6.230 2.867 1.689 4.560 . 0 0 "[ . 1 . 2]" 1
765 1 99 LEU H 1 99 LEU QD 4.950 . 4.950 3.059 1.840 3.797 . 0 0 "[ . 1 . 2]" 1
766 1 99 LEU H 1 99 LEU HG 4.710 . 4.710 3.191 2.271 4.076 . 0 0 "[ . 1 . 2]" 1
767 1 99 LEU H 1 100 GLN H . . 4.370 2.477 1.855 2.913 . 0 0 "[ . 1 . 2]" 1
768 1 99 LEU H 1 119 ALA MB 4.900 . 4.900 3.271 2.223 4.105 . 0 0 "[ . 1 . 2]" 1
769 1 99 LEU HA 1 99 LEU QD . . 3.940 2.108 1.882 3.267 . 0 0 "[ . 1 . 2]" 1
770 1 99 LEU HA 1 100 GLN H 5.870 . 5.870 3.469 3.303 3.555 . 0 0 "[ . 1 . 2]" 1
771 1 99 LEU HA 1 102 THR H 4.730 . 4.730 3.632 2.976 4.238 . 0 0 "[ . 1 . 2]" 1
772 1 99 LEU HA 1 102 THR HB 4.510 . 4.510 3.201 2.256 4.680 0.170 7 0 "[ . 1 . 2]" 1
773 1 99 LEU HA 1 102 THR MG 4.560 . 4.560 3.985 3.295 4.585 0.025 16 0 "[ . 1 . 2]" 1
774 1 99 LEU HA 1 115 LEU MD2 5.110 . 5.110 4.803 4.234 5.313 0.203 13 0 "[ . 1 . 2]" 1
775 1 99 LEU HB2 1 100 GLN H 4.140 . 4.140 3.089 2.577 3.508 . 0 0 "[ . 1 . 2]" 1
776 1 99 LEU HB3 1 100 GLN H 5.520 . 5.520 3.743 3.437 4.211 . 0 0 "[ . 1 . 2]" 1
777 1 99 LEU QD 1 112 LEU HG . . 4.410 3.486 2.931 4.476 0.066 20 0 "[ . 1 . 2]" 1
778 1 99 LEU QD 1 115 LEU HB2 4.670 . 4.670 2.469 2.108 3.735 . 0 0 "[ . 1 . 2]" 1
779 1 99 LEU QD 1 115 LEU MD1 5.100 . 5.100 2.671 2.145 4.339 . 0 0 "[ . 1 . 2]" 1
780 1 99 LEU QD 1 116 GLN H 4.830 . 4.830 3.240 2.913 3.896 . 0 0 "[ . 1 . 2]" 1
781 1 99 LEU QD 1 116 GLN HA 4.240 . 4.240 2.390 1.777 3.093 . 0 0 "[ . 1 . 2]" 1
782 1 99 LEU QD 1 116 GLN HB3 4.660 . 4.660 3.499 2.770 4.316 . 0 0 "[ . 1 . 2]" 1
783 1 99 LEU QD 1 116 GLN HG2 5.160 . 5.160 2.027 1.700 3.011 . 0 0 "[ . 1 . 2]" 1
784 1 99 LEU QD 1 116 GLN HG3 5.100 . 5.100 3.228 2.895 4.052 . 0 0 "[ . 1 . 2]" 1
785 1 99 LEU QD 1 119 ALA H 4.870 . 4.870 4.042 2.920 4.407 . 0 0 "[ . 1 . 2]" 1
786 1 99 LEU QD 1 119 ALA HA 6.160 . 6.160 4.123 2.007 4.659 . 0 0 "[ . 1 . 2]" 1
787 1 99 LEU QD 1 120 LEU H 5.420 . 5.420 3.492 1.593 4.790 . 0 0 "[ . 1 . 2]" 1
788 1 99 LEU HG 1 100 GLN H 5.950 . 5.950 4.941 4.394 5.620 . 0 0 "[ . 1 . 2]" 1
789 1 99 LEU HG 1 116 GLN H 5.440 . 5.440 5.081 4.227 5.546 0.106 7 0 "[ . 1 . 2]" 1
790 1 99 LEU HG 1 116 GLN HA . . 4.360 3.663 2.895 4.124 . 0 0 "[ . 1 . 2]" 1
791 1 99 LEU HG 1 116 GLN HE21 6.210 . 6.210 4.544 2.749 6.322 0.112 16 0 "[ . 1 . 2]" 1
792 1 99 LEU HG 1 116 GLN HG2 4.610 . 4.610 3.861 2.750 4.740 0.130 8 0 "[ . 1 . 2]" 1
793 1 99 LEU HG 1 119 ALA H 5.040 . 5.040 5.088 4.680 5.216 0.176 4 0 "[ . 1 . 2]" 1
794 1 99 LEU HG 1 119 ALA MB . . 4.660 2.284 1.847 3.862 . 0 0 "[ . 1 . 2]" 1
795 1 100 GLN H 1 100 GLN QB 3.890 . 3.890 2.588 2.229 3.087 . 0 0 "[ . 1 . 2]" 1
796 1 100 GLN H 1 100 GLN HG2 5.000 . 5.000 2.572 1.885 4.454 . 0 0 "[ . 1 . 2]" 1
797 1 100 GLN H 1 100 GLN HG3 4.780 . 4.780 2.998 1.992 4.484 . 0 0 "[ . 1 . 2]" 1
798 1 100 GLN H 1 101 SER H . . 4.150 2.725 2.285 3.199 . 0 0 "[ . 1 . 2]" 1
799 1 100 GLN H 1 102 THR H 5.000 . 5.000 4.102 3.561 4.479 . 0 0 "[ . 1 . 2]" 1
800 1 100 GLN HA 1 101 SER H 4.430 . 4.430 3.376 2.785 3.608 . 0 0 "[ . 1 . 2]" 1
801 1 100 GLN QB 1 101 SER H 4.900 . 4.900 3.454 2.021 4.069 . 0 0 "[ . 1 . 2]" 1
802 1 100 GLN QB 1 101 SER HB2 5.120 . 5.120 4.512 3.756 5.255 0.135 11 0 "[ . 1 . 2]" 1
803 1 101 SER H 1 102 THR H 3.600 . 3.600 2.125 1.794 2.670 . 0 0 "[ . 1 . 2]" 1
804 1 102 THR H 1 102 THR HB 3.550 . 3.550 2.877 2.499 3.716 0.166 9 0 "[ . 1 . 2]" 1
805 1 102 THR H 1 102 THR MG 4.500 . 4.500 3.493 2.334 3.855 . 0 0 "[ . 1 . 2]" 1
806 1 102 THR HB 1 115 LEU MD2 5.430 . 5.430 4.004 3.245 4.713 . 0 0 "[ . 1 . 2]" 1
807 1 102 THR MG 1 103 GLU H 4.480 . 4.480 3.204 2.680 4.207 . 0 0 "[ . 1 . 2]" 1
808 1 102 THR MG 1 115 LEU MD1 4.610 . 4.610 2.369 1.912 3.140 . 0 0 "[ . 1 . 2]" 1
809 1 102 THR MG 1 115 LEU MD2 . . 3.890 2.467 1.914 3.155 . 0 0 "[ . 1 . 2]" 1
810 1 103 GLU HA 1 104 LYS H 3.720 . 3.720 2.407 2.277 2.578 . 0 0 "[ . 1 . 2]" 1
811 1 103 GLU HA 1 104 LYS QB 5.700 . 5.700 4.432 4.100 4.793 . 0 0 "[ . 1 . 2]" 1
812 1 103 GLU HA 1 105 SER H 4.380 . 4.380 4.257 4.026 4.498 0.118 1 0 "[ . 1 . 2]" 1
813 1 103 GLU HG3 1 104 LYS H 4.600 . 4.600 3.692 2.208 4.437 . 0 0 "[ . 1 . 2]" 1
814 1 104 LYS H 1 104 LYS QB 3.720 . 3.720 2.345 2.173 2.599 . 0 0 "[ . 1 . 2]" 1
815 1 104 LYS H 1 104 LYS QD 5.480 . 5.480 3.458 1.977 4.551 . 0 0 "[ . 1 . 2]" 1
816 1 104 LYS H 1 104 LYS HG2 5.240 . 5.240 3.618 2.056 4.578 . 0 0 "[ . 1 . 2]" 1
817 1 104 LYS H 1 105 SER H 4.890 . 4.890 2.720 2.521 2.924 . 0 0 "[ . 1 . 2]" 1
818 1 104 LYS H 1 107 LEU MD1 4.910 . 4.910 4.367 3.976 4.820 . 0 0 "[ . 1 . 2]" 1
819 1 104 LYS HA 1 104 LYS QD 4.950 . 4.950 2.931 1.952 4.608 . 0 0 "[ . 1 . 2]" 1
820 1 104 LYS HA 1 104 LYS QE 5.390 . 5.390 3.920 2.571 4.567 . 0 0 "[ . 1 . 2]" 1
821 1 104 LYS HA 1 105 SER H 5.180 . 5.180 3.489 3.413 3.561 . 0 0 "[ . 1 . 2]" 1
822 1 104 LYS HA 1 106 ALA H 5.040 . 5.040 3.875 3.592 4.215 . 0 0 "[ . 1 . 2]" 1
823 1 104 LYS HA 1 107 LEU MD2 5.070 . 5.070 3.127 2.264 3.696 . 0 0 "[ . 1 . 2]" 1
824 1 104 LYS QB 1 105 SER H 5.580 . 5.580 3.078 2.614 3.740 . 0 0 "[ . 1 . 2]" 1
825 1 104 LYS QD 1 105 SER H 4.650 . 4.650 4.407 3.749 4.864 0.214 12 0 "[ . 1 . 2]" 1
826 1 104 LYS QE 1 104 LYS HG3 3.890 . 3.890 2.767 2.372 3.558 . 0 0 "[ . 1 . 2]" 1
827 1 104 LYS QE 1 107 LEU MD2 4.650 . 4.650 3.385 1.917 4.830 0.180 19 0 "[ . 1 . 2]" 1
828 1 104 LYS HG3 1 107 LEU MD2 5.650 . 5.650 3.882 1.947 5.502 . 0 0 "[ . 1 . 2]" 1
829 1 105 SER H 1 106 ALA H . . 4.160 2.750 2.665 2.828 . 0 0 "[ . 1 . 2]" 1
830 1 105 SER H 1 106 ALA MB 4.960 . 4.960 4.400 4.282 4.498 . 0 0 "[ . 1 . 2]" 1
831 1 105 SER HA 1 106 ALA H 3.760 . 3.760 3.521 3.491 3.573 . 0 0 "[ . 1 . 2]" 1
832 1 106 ALA H 1 106 ALA MB 3.430 . 3.430 2.247 2.229 2.264 . 0 0 "[ . 1 . 2]" 1
833 1 106 ALA H 1 107 LEU H 3.960 . 3.960 2.753 2.590 2.853 . 0 0 "[ . 1 . 2]" 1
834 1 106 ALA HA 1 109 TYR QD . . 4.610 2.963 2.440 4.078 . 0 0 "[ . 1 . 2]" 1
835 1 106 ALA MB 1 107 LEU H 4.320 . 4.320 2.728 2.442 2.971 . 0 0 "[ . 1 . 2]" 1
836 1 106 ALA MB 1 107 LEU HA 5.790 . 5.790 3.896 3.756 4.007 . 0 0 "[ . 1 . 2]" 1
837 1 106 ALA MB 1 115 LEU MD1 6.300 . 6.300 2.917 2.401 3.622 . 0 0 "[ . 1 . 2]" 1
838 1 106 ALA MB 1 115 LEU MD2 4.460 . 4.460 3.229 2.731 4.157 . 0 0 "[ . 1 . 2]" 1
839 1 107 LEU H 1 107 LEU HB2 3.390 . 3.390 2.335 2.283 2.395 . 0 0 "[ . 1 . 2]" 1
840 1 107 LEU H 1 107 LEU MD1 4.240 . 4.240 2.179 2.021 2.289 . 0 0 "[ . 1 . 2]" 1
841 1 107 LEU H 1 107 LEU MD2 4.350 . 4.350 3.898 3.784 3.974 . 0 0 "[ . 1 . 2]" 1
842 1 107 LEU H 1 107 LEU HG 4.510 . 4.510 3.885 3.698 4.019 . 0 0 "[ . 1 . 2]" 1
843 1 107 LEU H 1 110 VAL H 4.920 . 4.920 4.927 4.713 5.011 0.091 10 0 "[ . 1 . 2]" 1
844 1 107 LEU HA 1 109 TYR H 4.770 . 4.770 3.825 3.393 4.255 . 0 0 "[ . 1 . 2]" 1
845 1 107 LEU HA 1 110 VAL H 4.000 . 4.000 3.478 2.912 4.183 0.183 8 0 "[ . 1 . 2]" 1
846 1 107 LEU HA 1 110 VAL MG1 4.660 . 4.660 3.899 2.656 4.659 . 0 0 "[ . 1 . 2]" 1
847 1 107 LEU HA 1 115 LEU MD2 6.300 . 6.300 4.934 4.532 5.275 . 0 0 "[ . 1 . 2]" 1
848 1 107 LEU HB2 1 107 LEU MD2 3.400 . 3.400 2.434 2.365 2.476 . 0 0 "[ . 1 . 2]" 1
849 1 107 LEU MD1 1 111 SER HA 4.840 . 4.840 4.486 4.191 4.842 0.002 14 0 "[ . 1 . 2]" 1
850 1 107 LEU MD1 1 112 LEU H 3.920 . 3.920 3.943 3.492 4.091 0.171 15 0 "[ . 1 . 2]" 1
851 1 107 LEU MD1 1 112 LEU HA 4.110 . 4.110 3.165 2.694 3.662 . 0 0 "[ . 1 . 2]" 1
852 1 107 LEU MD1 1 112 LEU HB2 4.250 . 4.250 3.057 2.516 3.618 . 0 0 "[ . 1 . 2]" 1
853 1 107 LEU MD1 1 115 LEU MD2 4.040 . 4.040 3.834 3.408 4.133 0.093 3 0 "[ . 1 . 2]" 1
854 1 107 LEU HG 1 111 SER HB2 5.990 . 5.990 5.688 4.738 6.148 0.158 13 0 "[ . 1 . 2]" 1
855 1 107 LEU HG 1 112 LEU H 3.760 . 3.760 2.496 2.109 2.730 . 0 0 "[ . 1 . 2]" 1
856 1 107 LEU HG 1 112 LEU HA 4.470 . 4.470 3.033 2.727 3.494 . 0 0 "[ . 1 . 2]" 1
857 1 108 ARG H 1 108 ARG HB2 3.500 . 3.500 2.497 2.295 2.644 . 0 0 "[ . 1 . 2]" 1
858 1 108 ARG H 1 108 ARG HD2 5.180 . 5.180 4.802 4.120 5.190 0.010 1 0 "[ . 1 . 2]" 1
859 1 108 ARG H 1 108 ARG HG2 4.660 . 4.660 3.501 2.710 3.876 . 0 0 "[ . 1 . 2]" 1
860 1 108 ARG H 1 108 ARG HG3 3.740 . 3.740 2.562 2.145 3.651 . 0 0 "[ . 1 . 2]" 1
861 1 108 ARG H 1 109 TYR H 3.710 . 3.710 2.347 2.062 2.641 . 0 0 "[ . 1 . 2]" 1
862 1 108 ARG H 1 109 TYR QD 4.570 . 4.570 3.197 2.746 4.486 . 0 0 "[ . 1 . 2]" 1
863 1 108 ARG H 1 110 VAL MG1 5.190 . 5.190 5.227 4.446 5.932 0.742 7 2 "[- . + 1 . 2]" 1
864 1 108 ARG HA 1 108 ARG HD3 5.210 . 5.210 4.648 3.583 4.798 . 0 0 "[ . 1 . 2]" 1
865 1 108 ARG HA 1 109 TYR H 4.970 . 4.970 3.422 3.267 3.525 . 0 0 "[ . 1 . 2]" 1
866 1 108 ARG HA 1 109 TYR QD 4.690 . 4.690 4.753 4.406 4.852 0.162 9 0 "[ . 1 . 2]" 1
867 1 108 ARG HB2 1 108 ARG HD3 . . 4.150 2.718 2.530 3.636 . 0 0 "[ . 1 . 2]" 1
868 1 108 ARG HB2 1 109 TYR H 4.440 . 4.440 3.131 2.652 3.539 . 0 0 "[ . 1 . 2]" 1
869 1 108 ARG HB2 1 109 TYR QD 4.200 . 4.200 2.748 2.207 3.498 . 0 0 "[ . 1 . 2]" 1
870 1 108 ARG HB2 1 109 TYR QE 3.980 . 3.980 3.012 2.726 3.488 . 0 0 "[ . 1 . 2]" 1
871 1 108 ARG HB3 1 108 ARG HD2 4.370 . 4.370 3.681 3.217 3.779 . 0 0 "[ . 1 . 2]" 1
872 1 108 ARG HB3 1 108 ARG HD3 . . 4.320 2.944 2.455 3.290 . 0 0 "[ . 1 . 2]" 1
873 1 108 ARG HB3 1 109 TYR H 4.750 . 4.750 4.038 3.605 4.346 . 0 0 "[ . 1 . 2]" 1
874 1 108 ARG HB3 1 109 TYR QD 6.300 . 6.300 4.070 2.877 4.478 . 0 0 "[ . 1 . 2]" 1
875 1 108 ARG HB3 1 109 TYR QE 4.350 . 4.350 4.168 3.161 4.464 0.114 17 0 "[ . 1 . 2]" 1
876 1 108 ARG HD3 1 109 TYR QE . . 4.510 3.889 3.058 4.692 0.182 11 0 "[ . 1 . 2]" 1
877 1 109 TYR H 1 109 TYR HB3 4.260 . 4.260 3.714 3.612 3.818 . 0 0 "[ . 1 . 2]" 1
878 1 109 TYR H 1 109 TYR QD 4.360 . 4.360 2.426 1.938 3.265 . 0 0 "[ . 1 . 2]" 1
879 1 109 TYR H 1 110 VAL H . . 3.330 2.172 1.700 2.414 . 0 0 "[ . 1 . 2]" 1
880 1 109 TYR H 1 110 VAL MG1 4.730 . 4.730 4.130 3.445 5.151 0.421 1 0 "[ . 1 . 2]" 1
881 1 109 TYR HA 1 109 TYR QD . . 3.720 3.127 2.185 3.306 . 0 0 "[ . 1 . 2]" 1
882 1 109 TYR HB2 1 110 VAL H 4.900 . 4.900 2.554 2.187 3.282 . 0 0 "[ . 1 . 2]" 1
883 1 109 TYR HB2 1 110 VAL MG2 . . 5.090 4.174 2.264 5.292 0.202 8 0 "[ . 1 . 2]" 1
884 1 109 TYR HB3 1 109 TYR QE 4.880 . 4.880 4.451 4.412 4.552 . 0 0 "[ . 1 . 2]" 1
885 1 109 TYR HB3 1 110 VAL H 4.470 . 4.470 3.660 3.347 4.073 . 0 0 "[ . 1 . 2]" 1
886 1 109 TYR HB3 1 110 VAL MG1 5.160 . 5.160 4.340 3.250 5.613 0.453 11 0 "[ . 1 . 2]" 1
887 1 109 TYR HB3 1 110 VAL MG2 5.590 . 5.590 5.056 3.221 5.666 0.076 10 0 "[ . 1 . 2]" 1
888 1 110 VAL H 1 110 VAL MG1 3.800 . 3.800 2.525 1.980 3.804 0.004 1 0 "[ . 1 . 2]" 1
889 1 110 VAL H 1 110 VAL MG2 4.410 . 4.410 2.879 1.945 4.064 . 0 0 "[ . 1 . 2]" 1
890 1 110 VAL HA 1 111 SER H 3.540 . 3.540 2.943 2.416 3.586 0.046 15 0 "[ . 1 . 2]" 1
891 1 110 VAL HB 1 111 SER H 4.060 . 4.060 3.130 1.898 4.251 0.191 17 0 "[ . 1 . 2]" 1
892 1 110 VAL HB 1 115 LEU MD1 5.450 . 5.450 4.899 4.007 5.525 0.075 3 0 "[ . 1 . 2]" 1
893 1 110 VAL HB 1 115 LEU MD2 5.280 . 5.280 3.701 2.764 4.339 . 0 0 "[ . 1 . 2]" 1
894 1 110 VAL MG1 1 111 SER H 4.710 . 4.710 3.157 1.578 4.010 . 0 0 "[ . 1 . 2]" 1
895 1 110 VAL MG1 1 111 SER HB2 5.740 . 5.740 5.522 4.185 6.163 0.423 15 0 "[ . 1 . 2]" 1
896 1 110 VAL MG1 1 111 SER HB3 5.490 . 5.490 5.199 4.391 5.752 0.262 12 0 "[ . 1 . 2]" 1
897 1 110 VAL MG1 1 112 LEU HA 5.850 . 5.850 5.095 3.973 5.960 0.110 7 0 "[ . 1 . 2]" 1
898 1 110 VAL MG1 1 114 ASP H 4.960 . 4.960 5.094 4.293 5.759 0.799 17 2 "[ . 1 - . + 2]" 1
899 1 110 VAL MG1 1 115 LEU H 4.670 . 4.670 4.564 3.817 5.102 0.432 12 0 "[ . 1 . 2]" 1
900 1 110 VAL MG1 1 115 LEU MD1 3.890 . 3.890 3.581 2.679 4.204 0.314 7 0 "[ . 1 . 2]" 1
901 1 110 VAL MG1 1 115 LEU MD2 3.610 . 3.610 2.313 1.816 2.979 . 0 0 "[ . 1 . 2]" 1
902 1 110 VAL MG1 1 115 LEU HG . . 5.060 3.558 2.502 4.459 . 0 0 "[ . 1 . 2]" 1
903 1 110 VAL MG2 1 111 SER H 4.560 . 4.560 3.057 1.688 4.035 . 0 0 "[ . 1 . 2]" 1
904 1 110 VAL MG2 1 115 LEU MD1 4.320 . 4.320 3.400 2.355 4.480 0.160 1 0 "[ . 1 . 2]" 1
905 1 110 VAL MG2 1 115 LEU MD2 4.610 . 4.610 2.324 1.498 3.476 . 0 0 "[ . 1 . 2]" 1
906 1 111 SER H 1 111 SER HB3 . . 3.930 3.123 2.458 4.065 0.135 11 0 "[ . 1 . 2]" 1
907 1 111 SER H 1 115 LEU MD2 6.270 . 6.270 4.848 3.845 5.554 . 0 0 "[ . 1 . 2]" 1
908 1 111 SER HA 1 112 LEU H 3.480 . 3.480 2.274 2.159 2.399 . 0 0 "[ . 1 . 2]" 1
909 1 111 SER HA 1 112 LEU HB3 6.170 . 6.170 4.564 4.390 4.716 . 0 0 "[ . 1 . 2]" 1
910 1 111 SER HA 1 113 ALA H 4.690 . 4.690 4.174 3.954 4.368 . 0 0 "[ . 1 . 2]" 1
911 1 111 SER HA 1 115 LEU MD2 6.300 . 6.300 5.745 5.210 6.325 0.025 15 0 "[ . 1 . 2]" 1
912 1 111 SER HB2 1 112 LEU H . . 3.950 3.833 2.601 4.085 0.135 15 0 "[ . 1 . 2]" 1
913 1 111 SER HB2 1 113 ALA H 4.420 . 4.420 4.166 2.908 4.632 0.212 17 0 "[ . 1 . 2]" 1
914 1 111 SER HB2 1 113 ALA MB 5.080 . 5.080 4.202 3.405 4.813 . 0 0 "[ . 1 . 2]" 1
915 1 111 SER HB2 1 114 ASP H 5.260 . 5.260 4.473 3.072 5.383 0.123 12 0 "[ . 1 . 2]" 1
916 1 111 SER HB3 1 113 ALA H 5.060 . 5.060 3.487 2.998 4.566 . 0 0 "[ . 1 . 2]" 1
917 1 111 SER HB3 1 113 ALA MB 5.280 . 5.280 3.409 2.767 4.555 . 0 0 "[ . 1 . 2]" 1
918 1 111 SER HB3 1 114 ASP H 4.500 . 4.500 3.278 2.375 4.393 . 0 0 "[ . 1 . 2]" 1
919 1 112 LEU H 1 112 LEU HB2 3.710 . 3.710 2.652 2.565 2.761 . 0 0 "[ . 1 . 2]" 1
920 1 112 LEU H 1 112 LEU MD1 5.130 . 5.130 4.358 4.312 4.435 . 0 0 "[ . 1 . 2]" 1
921 1 112 LEU H 1 112 LEU MD2 4.960 . 4.960 4.062 3.949 4.160 . 0 0 "[ . 1 . 2]" 1
922 1 112 LEU H 1 112 LEU HG 5.260 . 5.260 4.571 4.528 4.599 . 0 0 "[ . 1 . 2]" 1
923 1 112 LEU H 1 113 ALA H . . 3.750 2.826 2.652 3.006 . 0 0 "[ . 1 . 2]" 1
924 1 112 LEU H 1 113 ALA MB 5.410 . 5.410 4.464 4.281 4.647 . 0 0 "[ . 1 . 2]" 1
925 1 112 LEU H 1 114 ASP H 4.830 . 4.830 4.474 4.085 4.815 . 0 0 "[ . 1 . 2]" 1
926 1 112 LEU HA 1 113 ALA H 4.490 . 4.490 3.536 3.493 3.565 . 0 0 "[ . 1 . 2]" 1
927 1 112 LEU HA 1 113 ALA HA 5.720 . 5.720 4.904 4.869 4.950 . 0 0 "[ . 1 . 2]" 1
928 1 112 LEU HA 1 113 ALA MB 5.430 . 5.430 5.046 5.005 5.081 . 0 0 "[ . 1 . 2]" 1
929 1 112 LEU HA 1 115 LEU H 4.420 . 4.420 3.421 3.259 3.700 . 0 0 "[ . 1 . 2]" 1
930 1 112 LEU HA 1 115 LEU HB2 5.600 . 5.600 3.023 2.616 3.667 . 0 0 "[ . 1 . 2]" 1
931 1 112 LEU HA 1 115 LEU HB3 6.170 . 6.170 4.415 4.092 5.038 . 0 0 "[ . 1 . 2]" 1
932 1 112 LEU HA 1 115 LEU MD2 . . 4.290 4.098 3.975 4.234 . 0 0 "[ . 1 . 2]" 1
933 1 112 LEU HA 1 115 LEU HG 5.620 . 5.620 2.606 2.413 2.877 . 0 0 "[ . 1 . 2]" 1
934 1 112 LEU HB2 1 112 LEU MD1 3.600 . 3.600 2.244 2.227 2.259 . 0 0 "[ . 1 . 2]" 1
935 1 112 LEU HB3 1 113 ALA H 3.860 . 3.860 2.895 2.706 3.175 . 0 0 "[ . 1 . 2]" 1
936 1 112 LEU HB3 1 115 LEU MD2 6.220 . 6.220 6.536 6.372 6.687 0.467 5 0 "[ . 1 . 2]" 1
937 1 112 LEU HB3 1 116 GLN HG3 5.110 . 5.110 4.618 4.436 4.917 . 0 0 "[ . 1 . 2]" 1
938 1 112 LEU MD1 1 113 ALA H 6.240 . 6.240 4.905 4.744 5.096 . 0 0 "[ . 1 . 2]" 1
939 1 112 LEU MD1 1 116 GLN HB3 5.580 . 5.580 5.639 5.377 5.778 0.198 18 0 "[ . 1 . 2]" 1
940 1 112 LEU MD1 1 116 GLN HE21 6.300 . 6.300 3.076 2.441 4.780 . 0 0 "[ . 1 . 2]" 1
941 1 112 LEU MD1 1 116 GLN HE22 5.370 . 5.370 3.237 2.736 4.266 . 0 0 "[ . 1 . 2]" 1
942 1 112 LEU MD2 1 113 ALA H 4.360 . 4.360 3.021 2.774 3.275 . 0 0 "[ . 1 . 2]" 1
943 1 112 LEU MD2 1 113 ALA HA 6.120 . 6.120 2.594 2.396 2.788 . 0 0 "[ . 1 . 2]" 1
944 1 112 LEU MD2 1 116 GLN H 4.010 . 4.010 3.999 3.910 4.060 0.050 12 0 "[ . 1 . 2]" 1
945 1 112 LEU MD2 1 116 GLN HB2 5.290 . 5.290 3.394 3.195 3.619 . 0 0 "[ . 1 . 2]" 1
946 1 112 LEU MD2 1 116 GLN HB3 4.940 . 4.940 4.141 3.928 4.315 . 0 0 "[ . 1 . 2]" 1
947 1 112 LEU MD2 1 116 GLN HE22 5.790 . 5.790 3.490 3.118 4.376 . 0 0 "[ . 1 . 2]" 1
948 1 112 LEU MD2 1 116 GLN HG3 . . 3.900 2.256 1.997 2.633 . 0 0 "[ . 1 . 2]" 1
949 1 112 LEU MD2 1 117 ALA H 5.080 . 5.080 5.310 5.223 5.400 0.320 15 0 "[ . 1 . 2]" 1
950 1 112 LEU HG 1 113 ALA H 6.300 . 6.300 4.393 4.241 4.592 . 0 0 "[ . 1 . 2]" 1
951 1 112 LEU HG 1 113 ALA HA 5.680 . 5.680 4.495 4.326 4.650 . 0 0 "[ . 1 . 2]" 1
952 1 112 LEU HG 1 115 LEU H 5.780 . 5.780 4.959 4.695 5.218 . 0 0 "[ . 1 . 2]" 1
953 1 112 LEU HG 1 116 GLN H 4.820 . 4.820 4.060 3.840 4.315 . 0 0 "[ . 1 . 2]" 1
954 1 112 LEU HG 1 116 GLN HB2 5.510 . 5.510 4.445 4.215 4.643 . 0 0 "[ . 1 . 2]" 1
955 1 112 LEU HG 1 116 GLN HB3 5.270 . 5.270 5.093 4.867 5.207 . 0 0 "[ . 1 . 2]" 1
956 1 112 LEU HG 1 116 GLN HE21 4.890 . 4.890 3.098 2.025 4.740 . 0 0 "[ . 1 . 2]" 1
957 1 112 LEU HG 1 116 GLN HE22 4.790 . 4.790 4.082 3.676 4.888 0.098 16 0 "[ . 1 . 2]" 1
958 1 112 LEU HG 1 116 GLN HG2 4.680 . 4.680 3.078 2.408 3.396 . 0 0 "[ . 1 . 2]" 1
959 1 112 LEU HG 1 116 GLN HG3 4.490 . 4.490 2.300 2.002 2.879 . 0 0 "[ . 1 . 2]" 1
960 1 113 ALA H 1 113 ALA MB 3.030 . 3.030 2.234 2.214 2.262 . 0 0 "[ . 1 . 2]" 1
961 1 113 ALA H 1 114 ASP H 3.820 . 3.820 2.785 2.660 2.901 . 0 0 "[ . 1 . 2]" 1
962 1 113 ALA HA 1 114 ASP H 4.700 . 4.700 3.562 3.495 3.626 . 0 0 "[ . 1 . 2]" 1
963 1 113 ALA HA 1 115 LEU H 6.300 . 6.300 4.343 4.108 4.644 . 0 0 "[ . 1 . 2]" 1
964 1 113 ALA HA 1 116 GLN H 4.440 . 4.440 3.627 3.491 3.748 . 0 0 "[ . 1 . 2]" 1
965 1 113 ALA HA 1 116 GLN HB2 4.750 . 4.750 2.991 2.852 3.076 . 0 0 "[ . 1 . 2]" 1
966 1 113 ALA HA 1 116 GLN HB3 4.570 . 4.570 4.674 4.533 4.752 0.182 2 0 "[ . 1 . 2]" 1
967 1 113 ALA HA 1 116 GLN HG2 5.080 . 5.080 4.869 3.812 5.157 0.077 2 0 "[ . 1 . 2]" 1
968 1 113 ALA HA 1 116 GLN HG3 5.510 . 5.510 3.458 3.166 3.687 . 0 0 "[ . 1 . 2]" 1
969 1 113 ALA MB 1 114 ASP H 3.650 . 3.650 2.703 2.543 2.866 . 0 0 "[ . 1 . 2]" 1
970 1 113 ALA MB 1 114 ASP HA 4.890 . 4.890 3.994 3.902 4.080 . 0 0 "[ . 1 . 2]" 1
971 1 113 ALA MB 1 116 GLN H 4.790 . 4.790 4.835 4.760 4.920 0.130 4 0 "[ . 1 . 2]" 1
972 1 113 ALA MB 1 117 ALA H 5.110 . 5.110 4.668 4.434 4.899 . 0 0 "[ . 1 . 2]" 1
973 1 114 ASP H 1 115 LEU H 3.600 . 3.600 2.587 2.441 2.815 . 0 0 "[ . 1 . 2]" 1
974 1 114 ASP H 1 116 GLN H 5.030 . 5.030 4.282 4.179 4.437 . 0 0 "[ . 1 . 2]" 1
975 1 114 ASP H 1 117 ALA H 5.440 . 5.440 4.812 4.572 5.023 . 0 0 "[ . 1 . 2]" 1
976 1 114 ASP H 1 117 ALA MB 5.440 . 5.440 4.655 4.429 4.858 . 0 0 "[ . 1 . 2]" 1
977 1 114 ASP HA 1 115 LEU H 4.990 . 4.990 3.537 3.505 3.597 . 0 0 "[ . 1 . 2]" 1
978 1 114 ASP HA 1 117 ALA H 4.540 . 4.540 3.853 3.406 4.231 . 0 0 "[ . 1 . 2]" 1
979 1 114 ASP HA 1 117 ALA MB 4.050 . 4.050 2.814 2.398 3.205 . 0 0 "[ . 1 . 2]" 1
980 1 115 LEU H 1 115 LEU HB2 3.870 . 3.870 2.612 2.462 2.846 . 0 0 "[ . 1 . 2]" 1
981 1 115 LEU H 1 115 LEU MD1 4.440 . 4.440 3.659 3.477 3.862 . 0 0 "[ . 1 . 2]" 1
982 1 115 LEU H 1 115 LEU MD2 4.300 . 4.300 3.040 2.330 3.421 . 0 0 "[ . 1 . 2]" 1
983 1 115 LEU H 1 115 LEU HG 3.840 . 3.840 2.200 2.000 2.302 . 0 0 "[ . 1 . 2]" 1
984 1 115 LEU H 1 116 GLN H 3.890 . 3.890 2.639 2.464 2.821 . 0 0 "[ . 1 . 2]" 1
985 1 115 LEU H 1 116 GLN HG2 4.810 . 4.810 4.859 3.946 5.126 0.316 11 0 "[ . 1 . 2]" 1
986 1 115 LEU H 1 116 GLN HG3 4.800 . 4.800 4.609 4.145 5.136 0.336 4 0 "[ . 1 . 2]" 1
987 1 115 LEU H 1 117 ALA H 4.160 . 4.160 4.030 3.826 4.196 0.036 12 0 "[ . 1 . 2]" 1
988 1 115 LEU H 1 117 ALA MB 4.620 . 4.620 4.624 4.412 4.758 0.138 14 0 "[ . 1 . 2]" 1
989 1 115 LEU HA 1 115 LEU MD1 . . 3.860 3.941 3.860 3.999 0.139 10 0 "[ . 1 . 2]" 1
990 1 115 LEU HA 1 116 GLN H 4.950 . 4.950 3.549 3.510 3.574 . 0 0 "[ . 1 . 2]" 1
991 1 115 LEU HA 1 117 ALA MB 6.180 . 6.180 4.892 4.564 5.274 . 0 0 "[ . 1 . 2]" 1
992 1 115 LEU HA 1 118 HIS H 4.940 . 4.940 4.129 3.634 4.439 . 0 0 "[ . 1 . 2]" 1
993 1 115 LEU HB2 1 116 GLN H 4.000 . 4.000 2.342 2.176 2.477 . 0 0 "[ . 1 . 2]" 1
994 1 115 LEU MD2 1 116 GLN H 4.850 . 4.850 4.533 4.281 4.654 . 0 0 "[ . 1 . 2]" 1
995 1 116 GLN H 1 116 GLN HB2 4.000 . 4.000 2.528 2.459 2.656 . 0 0 "[ . 1 . 2]" 1
996 1 116 GLN H 1 116 GLN HB3 4.400 . 4.400 3.592 3.557 3.622 . 0 0 "[ . 1 . 2]" 1
997 1 116 GLN H 1 116 GLN HG2 3.530 . 3.530 2.654 2.043 2.980 . 0 0 "[ . 1 . 2]" 1
998 1 116 GLN H 1 116 GLN HG3 3.860 . 3.860 2.655 2.299 3.307 . 0 0 "[ . 1 . 2]" 1
999 1 116 GLN H 1 117 ALA H . . 3.820 2.583 2.492 2.683 . 0 0 "[ . 1 . 2]" 1
1000 1 116 GLN H 1 117 ALA MB 5.040 . 5.040 4.236 4.161 4.347 . 0 0 "[ . 1 . 2]" 1
1001 1 116 GLN H 1 118 HIS H 5.180 . 5.180 4.268 3.914 4.781 . 0 0 "[ . 1 . 2]" 1
1002 1 116 GLN H 1 119 ALA H 5.580 . 5.580 4.961 4.623 5.440 . 0 0 "[ . 1 . 2]" 1
1003 1 116 GLN HA 1 116 GLN HG2 4.290 . 4.290 2.548 2.431 2.917 . 0 0 "[ . 1 . 2]" 1
1004 1 116 GLN HA 1 117 ALA H 4.590 . 4.590 3.508 3.465 3.546 . 0 0 "[ . 1 . 2]" 1
1005 1 116 GLN HA 1 117 ALA HA 6.300 . 6.300 4.936 4.854 5.008 . 0 0 "[ . 1 . 2]" 1
1006 1 116 GLN HA 1 117 ALA MB 5.540 . 5.540 5.004 4.907 5.056 . 0 0 "[ . 1 . 2]" 1
1007 1 116 GLN HA 1 118 HIS H 4.880 . 4.880 3.905 3.545 4.504 . 0 0 "[ . 1 . 2]" 1
1008 1 116 GLN HA 1 119 ALA H 4.360 . 4.360 3.140 2.766 3.630 . 0 0 "[ . 1 . 2]" 1
1009 1 116 GLN HA 1 119 ALA MB 3.970 . 3.970 2.465 1.882 3.437 . 0 0 "[ . 1 . 2]" 1
1010 1 116 GLN HB2 1 117 ALA H 4.400 . 4.400 2.822 2.439 3.012 . 0 0 "[ . 1 . 2]" 1
1011 1 116 GLN HB2 1 117 ALA MB 4.860 . 4.860 4.290 3.870 4.512 . 0 0 "[ . 1 . 2]" 1
1012 1 116 GLN HB3 1 116 GLN HG3 3.140 . 3.140 2.907 2.588 3.002 . 0 0 "[ . 1 . 2]" 1
1013 1 116 GLN HB3 1 117 ALA H 4.000 . 4.000 3.871 3.573 3.990 . 0 0 "[ . 1 . 2]" 1
1014 1 116 GLN HB3 1 117 ALA MB 6.300 . 6.300 5.185 4.804 5.364 . 0 0 "[ . 1 . 2]" 1
1015 1 116 GLN HB3 1 119 ALA MB 6.080 . 6.080 4.475 3.675 5.577 . 0 0 "[ . 1 . 2]" 1
1016 1 116 GLN HE22 1 116 GLN HG2 4.140 . 4.140 3.537 3.485 4.046 . 0 0 "[ . 1 . 2]" 1
1017 1 117 ALA H 1 117 ALA MB 3.190 . 3.190 2.247 2.220 2.267 . 0 0 "[ . 1 . 2]" 1
1018 1 117 ALA H 1 119 ALA H . . 5.750 4.208 3.974 4.477 . 0 0 "[ . 1 . 2]" 1
1019 1 117 ALA HA 1 118 HIS H 4.460 . 4.460 3.535 3.469 3.634 . 0 0 "[ . 1 . 2]" 1
1020 1 117 ALA HA 1 119 ALA H 5.100 . 5.100 4.421 4.098 4.830 . 0 0 "[ . 1 . 2]" 1
1021 1 117 ALA MB 1 118 HIS H 4.120 . 4.120 2.817 2.381 3.054 . 0 0 "[ . 1 . 2]" 1
1022 1 117 ALA MB 1 118 HIS HB2 5.540 . 5.540 3.945 3.339 4.547 . 0 0 "[ . 1 . 2]" 1
1023 1 117 ALA MB 1 119 ALA H 4.690 . 4.690 4.562 4.224 4.734 0.044 8 0 "[ . 1 . 2]" 1
1024 1 118 HIS H 1 118 HIS HB2 4.330 . 4.330 2.670 2.466 2.978 . 0 0 "[ . 1 . 2]" 1
1025 1 118 HIS H 1 118 HIS HB3 4.030 . 4.030 3.668 2.865 3.917 . 0 0 "[ . 1 . 2]" 1
1026 1 118 HIS H 1 119 ALA H . . 3.400 2.339 2.032 2.839 . 0 0 "[ . 1 . 2]" 1
1027 1 118 HIS H 1 119 ALA HA 5.480 . 5.480 4.795 4.346 5.110 . 0 0 "[ . 1 . 2]" 1
1028 1 118 HIS H 1 119 ALA MB 4.320 . 4.320 3.833 3.573 4.223 . 0 0 "[ . 1 . 2]" 1
1029 1 118 HIS HA 1 119 ALA H 4.130 . 4.130 3.103 2.730 3.518 . 0 0 "[ . 1 . 2]" 1
1030 1 118 HIS HA 1 119 ALA MB 5.710 . 5.710 4.719 4.391 5.043 . 0 0 "[ . 1 . 2]" 1
1031 1 118 HIS HB3 1 119 ALA H 5.120 . 5.120 4.287 3.417 4.515 . 0 0 "[ . 1 . 2]" 1
1032 1 119 ALA H 1 119 ALA MB 3.170 . 3.170 2.507 2.231 2.857 . 0 0 "[ . 1 . 2]" 1
1033 1 119 ALA H 1 120 LEU H . . 5.320 3.883 2.355 4.665 . 0 0 "[ . 1 . 2]" 1
1034 1 119 ALA MB 1 120 LEU H 3.490 . 3.490 2.286 1.853 3.023 . 0 0 "[ . 1 . 2]" 1
1035 1 120 LEU H 1 120 LEU HB2 3.730 . 3.730 3.185 2.266 3.988 0.258 3 0 "[ . 1 . 2]" 1
1036 1 120 LEU H 1 120 LEU MD1 4.420 . 4.420 3.935 3.209 4.565 0.145 20 0 "[ . 1 . 2]" 1
1037 1 120 LEU H 1 120 LEU HG 5.720 . 5.720 3.508 2.001 4.848 . 0 0 "[ . 1 . 2]" 1
1038 1 120 LEU HA 1 121 PRO HD2 3.930 . 3.930 2.811 2.236 4.187 0.257 10 0 "[ . 1 . 2]" 1
1039 1 120 LEU HA 1 121 PRO HD3 4.050 . 4.050 2.252 1.822 3.951 . 0 0 "[ . 1 . 2]" 1
1040 1 120 LEU HB2 1 121 PRO HD2 4.630 . 4.630 3.404 2.077 4.725 0.095 5 0 "[ . 1 . 2]" 1
1041 1 120 LEU HB2 1 121 PRO HD3 4.460 . 4.460 3.946 2.983 4.645 0.185 14 0 "[ . 1 . 2]" 1
1042 1 120 LEU HB3 1 120 LEU MD2 3.440 . 3.440 2.669 2.226 3.263 . 0 0 "[ . 1 . 2]" 1
1043 1 120 LEU HB3 1 121 PRO HD2 5.240 . 5.240 3.507 2.441 4.732 . 0 0 "[ . 1 . 2]" 1
1044 1 120 LEU HB3 1 121 PRO HD3 5.070 . 5.070 3.973 1.787 5.010 . 0 0 "[ . 1 . 2]" 1
1045 1 120 LEU MD1 1 121 PRO HB2 5.610 . 5.610 5.010 3.683 5.855 0.245 14 0 "[ . 1 . 2]" 1
1046 1 120 LEU MD1 1 121 PRO HB3 5.550 . 5.550 5.577 4.338 6.498 0.948 20 1 "[ . 1 . +]" 1
1047 1 120 LEU MD2 1 121 PRO HD2 4.830 . 4.830 4.587 2.311 4.984 0.154 3 0 "[ . 1 . 2]" 1
1048 1 121 PRO HA 1 122 VAL H 3.040 . 3.040 2.320 2.178 3.171 0.131 7 0 "[ . 1 . 2]" 1
1049 1 121 PRO HB2 1 122 VAL H 4.320 . 4.320 3.920 2.748 4.408 0.088 2 0 "[ . 1 . 2]" 1
1050 1 121 PRO HB3 1 122 VAL H 4.770 . 4.770 3.971 2.827 4.667 . 0 0 "[ . 1 . 2]" 1
1051 1 122 VAL H 1 122 VAL HB 3.530 . 3.530 2.881 2.498 3.610 0.080 7 0 "[ . 1 . 2]" 1
1052 1 122 VAL H 1 122 VAL QG 3.560 . 3.560 2.159 1.911 2.740 . 0 0 "[ . 1 . 2]" 1
1053 1 122 VAL HA 1 123 LEU H 3.320 . 3.320 2.231 2.134 2.617 . 0 0 "[ . 1 . 2]" 1
1054 1 122 VAL HB 1 123 LEU H 4.440 . 4.440 4.284 4.077 4.634 0.194 9 0 "[ . 1 . 2]" 1
1055 1 122 VAL QG 1 123 LEU H 3.930 . 3.930 2.796 2.206 3.669 . 0 0 "[ . 1 . 2]" 1
1056 1 122 VAL QG 1 124 GLU H 4.410 . 4.410 3.648 1.725 4.523 0.113 19 0 "[ . 1 . 2]" 1
1057 1 123 LEU H 1 123 LEU HB3 3.420 . 3.420 3.035 2.499 3.588 0.168 16 0 "[ . 1 . 2]" 1
1058 1 123 LEU H 1 123 LEU MD1 5.130 . 5.130 3.664 1.655 4.702 . 0 0 "[ . 1 . 2]" 1
1059 1 123 LEU H 1 123 LEU HG 4.560 . 4.560 3.708 1.775 4.680 0.120 10 0 "[ . 1 . 2]" 1
1060 1 123 LEU HA 1 123 LEU MD2 3.750 . 3.750 3.472 2.093 4.032 0.282 19 0 "[ . 1 . 2]" 1
1061 1 123 LEU HA 1 124 GLU H 3.420 . 3.420 2.425 2.094 3.539 0.119 12 0 "[ . 1 . 2]" 1
1062 1 123 LEU HB3 1 124 GLU H 4.170 . 4.170 3.948 2.302 4.368 0.198 15 0 "[ . 1 . 2]" 1
1063 1 124 GLU H 1 124 GLU HB3 3.620 . 3.620 2.980 2.448 3.625 0.005 15 0 "[ . 1 . 2]" 1
1064 1 124 GLU H 1 124 GLU HG3 4.620 . 4.620 3.904 2.168 4.852 0.232 18 0 "[ . 1 . 2]" 1
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