NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543077 |
2lsb   |
18426 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsb
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 2467
_Distance_constraint_stats_list.Viol_count 6616
_Distance_constraint_stats_list.Viol_total 2561.272
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0194
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.036 0.036 8 0 "[ . 1 . 2]"
1 6 THR 0.036 0.036 8 0 "[ . 1 . 2]"
1 7 HIS 0.427 0.110 19 0 "[ . 1 . 2]"
1 8 SER 0.482 0.110 19 0 "[ . 1 . 2]"
1 9 GLN 0.428 0.073 1 0 "[ . 1 . 2]"
1 10 TRP 0.375 0.034 19 0 "[ . 1 . 2]"
1 11 ASN 0.195 0.048 1 0 "[ . 1 . 2]"
1 12 LYS 0.789 0.105 16 0 "[ . 1 . 2]"
1 13 PRO 1.085 0.058 13 0 "[ . 1 . 2]"
1 14 SER 1.093 0.086 12 0 "[ . 1 . 2]"
1 15 LYS 1.123 0.086 12 0 "[ . 1 . 2]"
1 16 PRO 1.276 0.076 20 0 "[ . 1 . 2]"
1 17 LYS 1.043 0.055 18 0 "[ . 1 . 2]"
1 18 THR 1.010 0.108 18 0 "[ . 1 . 2]"
1 19 ASN 0.897 0.108 18 0 "[ . 1 . 2]"
1 20 MET 0.348 0.079 4 0 "[ . 1 . 2]"
1 21 LYS 1.040 0.173 8 0 "[ . 1 . 2]"
1 22 HIS 0.906 0.173 8 0 "[ . 1 . 2]"
1 23 MET 0.373 0.028 18 0 "[ . 1 . 2]"
1 24 ALA 0.367 0.028 18 0 "[ . 1 . 2]"
1 25 GLY 0.003 0.003 10 0 "[ . 1 . 2]"
1 26 ALA 0.191 0.153 16 0 "[ . 1 . 2]"
1 27 ALA 0.191 0.153 16 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.082 0.054 1 0 "[ . 1 . 2]"
1 30 GLY 0.082 0.054 1 0 "[ . 1 . 2]"
1 31 ALA 0.473 0.065 11 0 "[ . 1 . 2]"
1 32 VAL 1.411 0.199 19 0 "[ . 1 . 2]"
1 33 VAL 2.576 0.114 18 0 "[ . 1 . 2]"
1 34 GLY 0.175 0.017 18 0 "[ . 1 . 2]"
1 35 GLY 0.154 0.017 18 0 "[ . 1 . 2]"
1 36 LEU 1.391 0.114 18 0 "[ . 1 . 2]"
1 37 GLY 0.454 0.069 18 0 "[ . 1 . 2]"
1 38 GLY 0.519 0.063 17 0 "[ . 1 . 2]"
1 39 TYR 1.087 0.109 18 0 "[ . 1 . 2]"
1 40 MET 2.628 0.109 18 0 "[ . 1 . 2]"
1 41 LEU 5.429 0.148 20 0 "[ . 1 . 2]"
1 42 GLY 0.063 0.016 10 0 "[ . 1 . 2]"
1 43 SER 1.018 0.099 18 0 "[ . 1 . 2]"
1 44 ALA 6.281 0.191 18 0 "[ . 1 . 2]"
1 45 MET 3.333 0.191 18 0 "[ . 1 . 2]"
1 46 SER 0.254 0.022 16 0 "[ . 1 . 2]"
1 47 ARG 0.324 0.050 19 0 "[ . 1 . 2]"
1 48 PRO 5.404 0.089 18 0 "[ . 1 . 2]"
1 49 ILE 5.328 0.126 18 0 "[ . 1 . 2]"
1 50 ILE 9.955 0.200 6 0 "[ . 1 . 2]"
1 51 HIS 2.175 0.170 4 0 "[ . 1 . 2]"
1 52 PHE 2.172 0.059 18 0 "[ . 1 . 2]"
1 53 GLY 0.090 0.013 4 0 "[ . 1 . 2]"
1 54 SER 0.934 0.024 4 0 "[ . 1 . 2]"
1 55 ASP 0.525 0.030 12 0 "[ . 1 . 2]"
1 56 TYR 0.428 0.018 18 0 "[ . 1 . 2]"
1 57 GLU 1.355 0.059 18 0 "[ . 1 . 2]"
1 58 ASP 1.547 0.114 18 0 "[ . 1 . 2]"
1 59 ARG 1.277 0.046 3 0 "[ . 1 . 2]"
1 60 TYR 1.168 0.054 18 0 "[ . 1 . 2]"
1 61 TYR 4.344 0.126 18 0 "[ . 1 . 2]"
1 62 ARG 1.584 0.068 1 0 "[ . 1 . 2]"
1 63 GLU 0.576 0.054 18 0 "[ . 1 . 2]"
1 64 ASN 0.942 0.033 16 0 "[ . 1 . 2]"
1 65 MET 3.312 0.088 18 0 "[ . 1 . 2]"
1 66 HIS 0.311 0.024 4 0 "[ . 1 . 2]"
1 67 ARG 0.819 0.063 12 0 "[ . 1 . 2]"
1 68 TYR 2.588 0.063 12 0 "[ . 1 . 2]"
1 69 PRO 3.373 0.138 16 0 "[ . 1 . 2]"
1 70 ASN 1.670 0.096 18 0 "[ . 1 . 2]"
1 71 GLN 3.752 0.132 18 0 "[ . 1 . 2]"
1 72 VAL 2.923 0.106 18 0 "[ . 1 . 2]"
1 73 TYR 1.600 0.067 18 0 "[ . 1 . 2]"
1 74 TYR 1.171 0.039 12 0 "[ . 1 . 2]"
1 76 PRO 0.333 0.037 4 0 "[ . 1 . 2]"
1 77 MET 1.987 0.089 18 0 "[ . 1 . 2]"
1 78 ASP 0.601 0.051 18 0 "[ . 1 . 2]"
1 81 SER 0.218 0.089 18 0 "[ . 1 . 2]"
1 82 ASN 0.464 0.095 18 0 "[ . 1 . 2]"
1 83 GLN 0.623 0.095 18 0 "[ . 1 . 2]"
1 84 ASN 1.065 0.031 18 0 "[ . 1 . 2]"
1 85 ASN 0.558 0.044 4 0 "[ . 1 . 2]"
1 86 PHE 2.101 0.067 18 0 "[ . 1 . 2]"
1 87 VAL 3.750 0.078 20 0 "[ . 1 . 2]"
1 88 HIS 1.821 0.062 18 0 "[ . 1 . 2]"
1 89 ASP 0.454 0.042 5 0 "[ . 1 . 2]"
1 90 CYS 1.718 0.078 20 0 "[ . 1 . 2]"
1 91 VAL 5.094 0.137 4 0 "[ . 1 . 2]"
1 92 ASN 0.459 0.025 18 0 "[ . 1 . 2]"
1 93 ILE 4.992 0.081 4 0 "[ . 1 . 2]"
1 94 THR 3.559 0.124 18 0 "[ . 1 . 2]"
1 95 ILE 7.368 0.190 18 0 "[ . 1 . 2]"
1 96 LYS 6.613 0.145 18 0 "[ . 1 . 2]"
1 97 GLN 2.226 0.090 18 0 "[ . 1 . 2]"
1 98 HIS 3.642 0.101 18 0 "[ . 1 . 2]"
1 99 THR 4.151 0.196 20 0 "[ . 1 . 2]"
1 100 VAL 4.819 0.145 18 0 "[ . 1 . 2]"
1 101 THR 2.644 0.101 18 0 "[ . 1 . 2]"
1 102 THR 8.670 0.196 20 0 "[ . 1 . 2]"
1 103 THR 1.744 0.060 18 0 "[ . 1 . 2]"
1 104 THR 1.727 0.110 18 0 "[ . 1 . 2]"
1 105 LYS 0.804 0.046 18 0 "[ . 1 . 2]"
1 106 GLY 0.848 0.045 18 0 "[ . 1 . 2]"
1 107 GLU 1.628 0.083 20 0 "[ . 1 . 2]"
1 108 ASN 1.430 0.060 18 0 "[ . 1 . 2]"
1 109 PHE 2.205 0.073 18 0 "[ . 1 . 2]"
1 110 THR 2.869 0.180 18 0 "[ . 1 . 2]"
1 111 GLU 2.624 0.180 18 0 "[ . 1 . 2]"
1 112 THR 1.358 0.060 18 0 "[ . 1 . 2]"
1 113 ASP 1.086 0.049 18 0 "[ . 1 . 2]"
1 114 VAL 2.186 0.118 18 0 "[ . 1 . 2]"
1 115 LYS 1.349 0.038 18 0 "[ . 1 . 2]"
1 116 MET 3.270 0.114 18 0 "[ . 1 . 2]"
1 117 MET 2.095 0.073 18 0 "[ . 1 . 2]"
1 118 GLU 2.175 0.060 16 0 "[ . 1 . 2]"
1 119 ARG 1.808 0.045 18 0 "[ . 1 . 2]"
1 120 VAL 4.714 0.103 4 0 "[ . 1 . 2]"
1 121 VAL 5.338 0.190 18 0 "[ . 1 . 2]"
1 122 GLU 1.930 0.070 18 0 "[ . 1 . 2]"
1 123 GLN 3.297 0.275 18 0 "[ . 1 . 2]"
1 124 MET 7.860 0.200 6 0 "[ . 1 . 2]"
1 125 CYS 1.078 0.058 18 0 "[ . 1 . 2]"
1 126 ILE 3.967 0.088 4 0 "[ . 1 . 2]"
1 127 THR 2.568 0.093 18 0 "[ . 1 . 2]"
1 128 GLN 1.378 0.073 18 0 "[ . 1 . 2]"
1 129 TYR 1.228 0.038 18 0 "[ . 1 . 2]"
1 130 GLU 0.689 0.035 16 0 "[ . 1 . 2]"
1 131 ARG 1.420 0.093 18 0 "[ . 1 . 2]"
1 132 GLU 0.356 0.022 4 0 "[ . 1 . 2]"
1 133 SER 0.258 0.024 4 0 "[ . 1 . 2]"
1 134 GLN 0.924 0.076 1 0 "[ . 1 . 2]"
1 135 ALA 0.964 0.076 1 0 "[ . 1 . 2]"
1 136 TYR 2.161 0.062 18 0 "[ . 1 . 2]"
1 137 TYR 1.341 0.056 18 0 "[ . 1 . 2]"
1 138 GLN 0.486 0.037 20 0 "[ . 1 . 2]"
1 139 ARG 0.302 0.019 4 0 "[ . 1 . 2]"
1 140 GLY 0.285 0.019 4 0 "[ . 1 . 2]"
1 141 SER 0.528 0.056 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 2 GLN HA 1 2 GLN QB 2.590 . 2.590 2.365 2.168 2.570 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HA 1 3 GLY HA2 5.500 . 5.500 4.691 4.356 5.283 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 3 GLY QA 4.720 . 4.720 4.101 3.973 4.306 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 3 GLY HA3 5.500 . 5.500 4.557 4.293 4.902 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLY HA2 1 6 THR MG 5.500 . 5.500 4.178 3.440 4.812 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLY HA3 1 6 THR MG 5.500 . 5.500 4.616 3.853 5.536 0.036 8 0 "[ . 1 . 2]" 1
7 1 6 THR HA 1 6 THR MG 3.320 . 3.320 2.461 2.137 3.255 . 0 0 "[ . 1 . 2]" 1
8 1 7 HIS QB 1 8 SER HA 4.640 . 4.640 4.383 3.994 4.683 0.043 8 0 "[ . 1 . 2]" 1
9 1 7 HIS QB 1 8 SER QB 4.650 . 4.650 4.418 3.422 4.760 0.110 19 0 "[ . 1 . 2]" 1
10 1 8 SER HA 1 8 SER QB 2.520 . 2.520 2.307 2.180 2.432 . 0 0 "[ . 1 . 2]" 1
11 1 8 SER HA 1 9 GLN H 3.370 . 3.370 2.532 2.159 3.403 0.033 5 0 "[ . 1 . 2]" 1
12 1 8 SER HA 1 9 GLN QB 5.340 . 5.340 4.322 3.839 4.890 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLN H 1 9 GLN QB 3.580 . 3.580 2.695 2.184 3.268 . 0 0 "[ . 1 . 2]" 1
14 1 9 GLN H 1 9 GLN HG2 5.390 . 5.390 4.000 2.334 5.139 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLN H 1 9 GLN QG 4.590 . 4.590 3.550 2.248 4.289 . 0 0 "[ . 1 . 2]" 1
16 1 9 GLN H 1 9 GLN HG3 5.390 . 5.390 4.192 2.419 5.041 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLN HA 1 9 GLN QB 2.600 . 2.600 2.355 2.128 2.553 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLN HA 1 9 GLN QE 3.950 . 3.950 3.746 3.131 4.023 0.073 1 0 "[ . 1 . 2]" 1
19 1 9 GLN HA 1 9 GLN QG 3.730 . 3.730 2.812 2.221 3.541 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLN HA 1 10 TRP H 3.090 . 3.090 2.321 2.116 3.105 0.015 16 0 "[ . 1 . 2]" 1
21 1 9 GLN HA 1 10 TRP HD1 4.570 . 4.570 3.841 3.202 4.585 0.015 13 0 "[ . 1 . 2]" 1
22 1 9 GLN QB 1 9 GLN QG 2.320 . 2.320 2.050 2.006 2.116 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLN HB2 1 10 TRP H 4.440 . 4.440 3.856 2.393 4.472 0.032 13 0 "[ . 1 . 2]" 1
24 1 9 GLN HB3 1 10 TRP H 4.440 . 4.440 3.760 2.430 4.344 . 0 0 "[ . 1 . 2]" 1
25 1 10 TRP H 1 10 TRP QB 3.230 . 3.230 2.531 2.315 3.251 0.021 3 0 "[ . 1 . 2]" 1
26 1 10 TRP HA 1 10 TRP QB 2.650 . 2.650 2.382 2.108 2.463 . 0 0 "[ . 1 . 2]" 1
27 1 10 TRP HA 1 10 TRP HD1 4.280 . 4.280 4.143 3.850 4.313 0.033 19 0 "[ . 1 . 2]" 1
28 1 10 TRP HA 1 10 TRP HE3 3.820 . 3.820 3.176 2.594 3.854 0.034 19 0 "[ . 1 . 2]" 1
29 1 10 TRP HA 1 11 ASN H 3.260 . 3.260 2.412 2.096 3.285 0.025 12 0 "[ . 1 . 2]" 1
30 1 10 TRP QB 1 10 TRP HD1 3.200 . 3.200 2.643 2.543 2.777 . 0 0 "[ . 1 . 2]" 1
31 1 10 TRP QB 1 10 TRP HE3 3.540 . 3.540 2.546 2.375 2.670 . 0 0 "[ . 1 . 2]" 1
32 1 10 TRP QB 1 11 ASN H 4.390 . 4.390 3.221 2.360 3.948 . 0 0 "[ . 1 . 2]" 1
33 1 10 TRP HB2 1 10 TRP HE3 4.110 . 4.110 4.023 2.393 4.136 0.026 3 0 "[ . 1 . 2]" 1
34 1 10 TRP HB3 1 10 TRP HE3 4.110 . 4.110 2.651 2.488 3.985 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASN H 1 11 ASN QB 3.640 . 3.640 2.644 2.199 3.287 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASN HA 1 11 ASN QD 4.080 . 4.080 3.908 2.247 4.128 0.048 1 0 "[ . 1 . 2]" 1
37 1 11 ASN HA 1 12 LYS QG 3.960 . 3.960 3.622 3.302 3.988 0.028 6 0 "[ . 1 . 2]" 1
38 1 11 ASN QB 1 12 LYS H 4.440 . 4.440 3.225 1.837 4.035 . 0 0 "[ . 1 . 2]" 1
39 1 11 ASN HB2 1 12 LYS H 5.140 . 5.140 3.779 1.844 4.527 . 0 0 "[ . 1 . 2]" 1
40 1 11 ASN HB3 1 12 LYS H 5.140 . 5.140 3.772 2.559 4.629 . 0 0 "[ . 1 . 2]" 1
41 1 12 LYS H 1 12 LYS HB2 3.760 . 3.760 2.997 2.513 3.804 0.044 20 0 "[ . 1 . 2]" 1
42 1 12 LYS H 1 12 LYS QB 3.120 . 3.120 2.637 2.429 3.225 0.105 16 0 "[ . 1 . 2]" 1
43 1 12 LYS H 1 12 LYS HB3 3.760 . 3.760 3.434 2.469 3.828 0.068 16 0 "[ . 1 . 2]" 1
44 1 12 LYS H 1 12 LYS QG 3.770 . 3.770 2.534 1.940 3.142 . 0 0 "[ . 1 . 2]" 1
45 1 12 LYS HA 1 12 LYS QG 3.740 . 3.740 2.897 2.420 3.349 . 0 0 "[ . 1 . 2]" 1
46 1 12 LYS HA 1 13 PRO HD2 2.710 . 2.710 2.558 2.424 2.710 0.000 16 0 "[ . 1 . 2]" 1
47 1 12 LYS HA 1 13 PRO HD3 2.760 . 2.760 2.439 2.265 2.565 . 0 0 "[ . 1 . 2]" 1
48 1 12 LYS QB 1 13 PRO HD2 2.870 . 2.870 2.133 2.078 2.291 . 0 0 "[ . 1 . 2]" 1
49 1 12 LYS QB 1 13 PRO HD3 3.590 . 3.590 3.428 3.304 3.537 . 0 0 "[ . 1 . 2]" 1
50 1 12 LYS HB2 1 13 PRO HD2 3.640 . 3.640 3.219 2.142 3.666 0.026 17 0 "[ . 1 . 2]" 1
51 1 12 LYS HB3 1 13 PRO HD2 3.640 . 3.640 2.573 2.090 3.661 0.021 18 0 "[ . 1 . 2]" 1
52 1 12 LYS QD 1 13 PRO HD2 4.840 . 4.840 4.081 2.676 4.860 0.020 6 0 "[ . 1 . 2]" 1
53 1 12 LYS QG 1 13 PRO HD2 4.220 . 4.220 3.746 3.468 4.127 . 0 0 "[ . 1 . 2]" 1
54 1 12 LYS HG2 1 13 PRO HD3 5.500 . 5.500 5.058 4.281 5.520 0.020 20 0 "[ . 1 . 2]" 1
55 1 12 LYS HG3 1 13 PRO HD3 5.500 . 5.500 5.347 4.844 5.515 0.015 4 0 "[ . 1 . 2]" 1
56 1 13 PRO HB2 1 14 SER H 4.260 . 4.260 3.274 3.023 3.486 . 0 0 "[ . 1 . 2]" 1
57 1 13 PRO HB2 1 14 SER HA 4.170 . 4.170 3.994 3.752 4.185 0.015 17 0 "[ . 1 . 2]" 1
58 1 13 PRO HB2 1 14 SER QB 4.770 . 4.770 4.754 4.199 4.828 0.058 13 0 "[ . 1 . 2]" 1
59 1 13 PRO HB3 1 14 SER H 4.100 . 4.100 4.083 3.960 4.122 0.022 18 0 "[ . 1 . 2]" 1
60 1 13 PRO HG2 1 14 SER H 4.040 . 4.040 2.234 2.078 2.424 . 0 0 "[ . 1 . 2]" 1
61 1 13 PRO HG2 1 14 SER HA 4.380 . 4.380 4.155 3.943 4.381 0.001 16 0 "[ . 1 . 2]" 1
62 1 13 PRO HG2 1 14 SER QB 3.800 . 3.800 3.689 3.330 3.818 0.018 5 0 "[ . 1 . 2]" 1
63 1 14 SER H 1 14 SER HA 2.930 . 2.930 2.885 2.836 2.937 0.007 17 0 "[ . 1 . 2]" 1
64 1 14 SER H 1 14 SER QB 3.390 . 3.390 2.452 2.303 2.789 . 0 0 "[ . 1 . 2]" 1
65 1 14 SER HA 1 15 LYS H 2.890 . 2.890 2.237 2.079 2.442 . 0 0 "[ . 1 . 2]" 1
66 1 14 SER HA 1 15 LYS QG 4.790 . 4.790 4.090 3.520 4.859 0.069 16 0 "[ . 1 . 2]" 1
67 1 14 SER QB 1 15 LYS H 3.890 . 3.890 2.923 2.359 3.890 0.000 14 0 "[ . 1 . 2]" 1
68 1 14 SER QB 1 15 LYS QB 4.610 . 4.610 4.439 3.903 4.696 0.086 12 0 "[ . 1 . 2]" 1
69 1 15 LYS H 1 15 LYS QB 3.310 . 3.310 2.494 2.259 3.326 0.016 9 0 "[ . 1 . 2]" 1
70 1 15 LYS H 1 15 LYS QG 4.220 . 4.220 2.845 2.390 3.954 . 0 0 "[ . 1 . 2]" 1
71 1 15 LYS HA 1 15 LYS QD 4.370 . 4.370 3.934 3.019 4.384 0.014 20 0 "[ . 1 . 2]" 1
72 1 15 LYS HA 1 15 LYS HG2 4.130 . 4.130 2.632 2.230 3.794 . 0 0 "[ . 1 . 2]" 1
73 1 15 LYS HA 1 15 LYS QG 3.600 . 3.600 2.349 2.106 3.193 . 0 0 "[ . 1 . 2]" 1
74 1 15 LYS HA 1 15 LYS HG3 4.130 . 4.130 2.881 2.126 3.448 . 0 0 "[ . 1 . 2]" 1
75 1 15 LYS HA 1 16 PRO HA 4.440 . 4.440 4.312 4.223 4.379 . 0 0 "[ . 1 . 2]" 1
76 1 15 LYS HA 1 16 PRO HD2 2.690 . 2.690 2.684 2.592 2.704 0.014 20 0 "[ . 1 . 2]" 1
77 1 15 LYS HA 1 16 PRO HD3 2.700 . 2.700 2.356 2.204 2.605 . 0 0 "[ . 1 . 2]" 1
78 1 15 LYS HA 1 16 PRO HG2 5.260 . 5.260 4.713 4.628 4.755 . 0 0 "[ . 1 . 2]" 1
79 1 15 LYS HA 1 16 PRO QG 4.520 . 4.520 4.157 4.079 4.252 . 0 0 "[ . 1 . 2]" 1
80 1 15 LYS HA 1 16 PRO HG3 5.260 . 5.260 4.624 4.497 4.816 . 0 0 "[ . 1 . 2]" 1
81 1 15 LYS QB 1 16 PRO HD2 3.390 . 3.390 2.204 2.053 2.369 . 0 0 "[ . 1 . 2]" 1
82 1 15 LYS QB 1 16 PRO HD3 3.420 . 3.420 3.394 3.202 3.446 0.026 16 0 "[ . 1 . 2]" 1
83 1 15 LYS HB2 1 16 PRO HD2 3.860 . 3.860 3.690 2.353 3.872 0.012 1 0 "[ . 1 . 2]" 1
84 1 15 LYS HB3 1 16 PRO HD2 3.860 . 3.860 2.367 2.062 3.868 0.008 20 0 "[ . 1 . 2]" 1
85 1 15 LYS QD 1 16 PRO HD2 4.690 . 4.690 3.954 3.440 4.695 0.005 9 0 "[ . 1 . 2]" 1
86 1 15 LYS HD2 1 16 PRO HD2 5.500 . 5.500 4.745 3.533 5.424 . 0 0 "[ . 1 . 2]" 1
87 1 15 LYS HD3 1 16 PRO HD2 5.500 . 5.500 4.441 3.613 5.320 . 0 0 "[ . 1 . 2]" 1
88 1 15 LYS QG 1 16 PRO HD2 3.930 . 3.930 3.045 2.238 3.424 . 0 0 "[ . 1 . 2]" 1
89 1 15 LYS QG 1 16 PRO HD3 3.610 . 3.610 3.625 3.418 3.686 0.076 20 0 "[ . 1 . 2]" 1
90 1 16 PRO HA 1 17 LYS H 3.310 . 3.310 2.743 2.121 3.347 0.037 4 0 "[ . 1 . 2]" 1
91 1 16 PRO HA 1 17 LYS HG2 4.530 . 4.530 4.458 4.012 4.557 0.027 16 0 "[ . 1 . 2]" 1
92 1 16 PRO HB2 1 17 LYS H 4.400 . 4.400 3.343 1.706 4.045 . 0 0 "[ . 1 . 2]" 1
93 1 16 PRO HB3 1 17 LYS H 4.400 . 4.400 4.028 3.271 4.431 0.031 16 0 "[ . 1 . 2]" 1
94 1 16 PRO QG 1 17 LYS HG2 4.600 . 4.600 3.843 2.417 4.655 0.055 18 0 "[ . 1 . 2]" 1
95 1 17 LYS H 1 17 LYS HB2 3.360 . 3.360 2.836 2.544 3.384 0.024 17 0 "[ . 1 . 2]" 1
96 1 17 LYS H 1 17 LYS HG2 4.160 . 4.160 3.170 1.942 3.751 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS H 1 18 THR H 4.610 . 4.610 4.122 3.083 4.617 0.007 18 0 "[ . 1 . 2]" 1
98 1 17 LYS HA 1 17 LYS HB3 2.860 . 2.860 2.521 2.442 2.612 . 0 0 "[ . 1 . 2]" 1
99 1 17 LYS HA 1 17 LYS QD 3.070 . 3.070 2.545 2.131 3.076 0.006 2 0 "[ . 1 . 2]" 1
100 1 17 LYS HA 1 17 LYS QE 3.850 . 3.850 2.781 1.914 3.747 . 0 0 "[ . 1 . 2]" 1
101 1 17 LYS HA 1 17 LYS HG2 3.040 . 3.040 2.901 2.721 3.031 . 0 0 "[ . 1 . 2]" 1
102 1 17 LYS HA 1 17 LYS HG3 3.840 . 3.840 3.817 3.737 3.858 0.018 18 0 "[ . 1 . 2]" 1
103 1 17 LYS HB3 1 17 LYS QD 2.700 . 2.700 2.425 2.121 2.729 0.029 3 0 "[ . 1 . 2]" 1
104 1 17 LYS HB3 1 17 LYS QE 3.660 . 3.660 2.892 2.105 3.681 0.021 9 0 "[ . 1 . 2]" 1
105 1 17 LYS HB3 1 17 LYS HG3 2.630 . 2.630 2.577 2.528 2.634 0.004 16 0 "[ . 1 . 2]" 1
106 1 17 LYS HB3 1 18 THR H 4.080 . 4.080 3.145 2.332 4.120 0.040 8 0 "[ . 1 . 2]" 1
107 1 17 LYS HB3 1 18 THR HA 4.780 . 4.780 4.676 4.205 4.806 0.026 16 0 "[ . 1 . 2]" 1
108 1 17 LYS QD 1 17 LYS HG2 2.540 . 2.540 2.380 2.179 2.555 0.015 8 0 "[ . 1 . 2]" 1
109 1 18 THR H 1 18 THR HB 3.670 . 3.670 3.119 2.564 3.504 . 0 0 "[ . 1 . 2]" 1
110 1 18 THR H 1 18 THR MG 3.960 . 3.960 3.551 2.963 3.956 . 0 0 "[ . 1 . 2]" 1
111 1 18 THR H 1 19 ASN H 5.230 . 5.230 3.593 1.935 4.631 . 0 0 "[ . 1 . 2]" 1
112 1 18 THR HA 1 18 THR MG 2.860 . 2.860 2.229 2.165 2.376 . 0 0 "[ . 1 . 2]" 1
113 1 18 THR HA 1 19 ASN QB 4.700 . 4.700 4.417 4.062 4.701 0.001 14 0 "[ . 1 . 2]" 1
114 1 18 THR HB 1 19 ASN H 4.210 . 4.210 2.728 1.979 4.027 . 0 0 "[ . 1 . 2]" 1
115 1 18 THR HB 1 19 ASN QB 4.310 . 4.310 3.719 2.723 4.381 0.071 18 0 "[ . 1 . 2]" 1
116 1 18 THR MG 1 19 ASN QB 4.080 . 4.080 3.791 2.721 4.188 0.108 18 0 "[ . 1 . 2]" 1
117 1 19 ASN H 1 19 ASN QB 3.670 . 3.670 2.637 2.007 3.356 . 0 0 "[ . 1 . 2]" 1
118 1 19 ASN QB 1 20 MET QB 4.940 . 4.940 4.657 3.897 4.989 0.049 12 0 "[ . 1 . 2]" 1
119 1 20 MET H 1 20 MET QB 3.550 . 3.550 2.559 2.037 3.111 . 0 0 "[ . 1 . 2]" 1
120 1 20 MET HA 1 20 MET ME 4.350 . 4.350 3.910 2.939 4.429 0.079 4 0 "[ . 1 . 2]" 1
121 1 20 MET HA 1 20 MET HG2 3.980 . 3.980 2.968 2.443 3.829 . 0 0 "[ . 1 . 2]" 1
122 1 20 MET HA 1 20 MET HG3 3.980 . 3.980 3.152 2.361 3.755 . 0 0 "[ . 1 . 2]" 1
123 1 20 MET HA 1 21 LYS H 3.130 . 3.130 2.375 2.131 3.142 0.012 16 0 "[ . 1 . 2]" 1
124 1 20 MET QB 1 20 MET ME 2.640 . 2.640 2.222 2.042 2.527 . 0 0 "[ . 1 . 2]" 1
125 1 20 MET QB 1 21 LYS H 4.290 . 4.290 3.264 2.302 3.974 . 0 0 "[ . 1 . 2]" 1
126 1 20 MET ME 1 20 MET QG 3.270 . 3.270 2.368 2.257 2.466 . 0 0 "[ . 1 . 2]" 1
127 1 21 LYS H 1 21 LYS HB2 3.880 . 3.880 2.940 2.345 3.437 . 0 0 "[ . 1 . 2]" 1
128 1 21 LYS H 1 21 LYS QB 3.380 . 3.380 2.479 2.200 2.793 . 0 0 "[ . 1 . 2]" 1
129 1 21 LYS H 1 21 LYS HB3 3.880 . 3.880 2.692 2.411 3.042 . 0 0 "[ . 1 . 2]" 1
130 1 21 LYS H 1 21 LYS HG2 5.500 . 5.500 4.609 4.354 5.107 . 0 0 "[ . 1 . 2]" 1
131 1 21 LYS H 1 21 LYS QG 4.710 . 4.710 4.098 3.972 4.255 . 0 0 "[ . 1 . 2]" 1
132 1 21 LYS H 1 21 LYS HG3 5.500 . 5.500 4.619 4.333 4.961 . 0 0 "[ . 1 . 2]" 1
133 1 21 LYS HA 1 21 LYS QB 2.420 . 2.420 2.399 2.348 2.437 0.017 5 0 "[ . 1 . 2]" 1
134 1 21 LYS HA 1 21 LYS QE 4.450 . 4.450 4.313 3.397 4.483 0.033 4 0 "[ . 1 . 2]" 1
135 1 21 LYS HA 1 21 LYS HG2 3.910 . 3.910 3.176 2.694 3.901 . 0 0 "[ . 1 . 2]" 1
136 1 21 LYS HA 1 21 LYS QG 3.130 . 3.130 2.549 2.289 3.071 . 0 0 "[ . 1 . 2]" 1
137 1 21 LYS HA 1 21 LYS HG3 3.910 . 3.910 2.709 2.359 3.217 . 0 0 "[ . 1 . 2]" 1
138 1 21 LYS QB 1 21 LYS QE 3.860 . 3.860 2.815 2.078 3.753 . 0 0 "[ . 1 . 2]" 1
139 1 21 LYS HB2 1 22 HIS H 5.500 . 5.500 4.215 3.763 4.599 . 0 0 "[ . 1 . 2]" 1
140 1 21 LYS HB3 1 22 HIS H 5.500 . 5.500 3.914 2.440 4.507 . 0 0 "[ . 1 . 2]" 1
141 1 21 LYS QE 1 21 LYS QG 3.210 . 3.210 2.233 2.050 2.794 . 0 0 "[ . 1 . 2]" 1
142 1 21 LYS QG 1 22 HIS HA 4.910 . 4.910 4.131 3.031 4.612 . 0 0 "[ . 1 . 2]" 1
143 1 21 LYS QG 1 22 HIS QB 4.090 . 4.090 4.065 3.635 4.263 0.173 8 0 "[ . 1 . 2]" 1
144 1 22 HIS HA 1 22 HIS QB 2.460 . 2.460 2.399 2.285 2.478 0.018 5 0 "[ . 1 . 2]" 1
145 1 22 HIS HA 1 22 HIS HD2 4.150 . 4.150 3.240 2.301 4.153 0.003 6 0 "[ . 1 . 2]" 1
146 1 22 HIS HA 1 23 MET H 3.480 . 3.480 2.319 2.164 2.512 . 0 0 "[ . 1 . 2]" 1
147 1 22 HIS HA 1 23 MET HB3 4.700 . 4.700 4.506 4.304 4.703 0.003 16 0 "[ . 1 . 2]" 1
148 1 22 HIS HA 1 23 MET HG2 4.100 . 4.100 3.831 3.681 4.107 0.007 1 0 "[ . 1 . 2]" 1
149 1 23 MET H 1 23 MET HB3 4.140 . 4.140 3.275 2.571 3.545 . 0 0 "[ . 1 . 2]" 1
150 1 23 MET HA 1 24 ALA H 2.990 . 2.990 2.428 2.241 2.561 . 0 0 "[ . 1 . 2]" 1
151 1 23 MET HA 1 24 ALA MB 3.850 . 3.850 3.863 3.851 3.878 0.028 18 0 "[ . 1 . 2]" 1
152 1 23 MET HB2 1 24 ALA H 4.050 . 4.050 2.432 2.141 2.828 . 0 0 "[ . 1 . 2]" 1
153 1 23 MET HB2 1 24 ALA HA 4.400 . 4.400 4.385 4.298 4.408 0.008 13 0 "[ . 1 . 2]" 1
154 1 23 MET HB3 1 24 ALA H 4.410 . 4.410 3.799 3.624 3.997 . 0 0 "[ . 1 . 2]" 1
155 1 23 MET ME 1 23 MET HG3 3.320 . 3.320 2.423 2.282 2.464 . 0 0 "[ . 1 . 2]" 1
156 1 23 MET ME 1 24 ALA HA 4.470 . 4.470 4.325 4.004 4.488 0.018 17 0 "[ . 1 . 2]" 1
157 1 23 MET HG3 1 24 ALA HA 4.070 . 4.070 3.724 3.399 4.001 . 0 0 "[ . 1 . 2]" 1
158 1 24 ALA H 1 24 ALA MB 3.260 . 3.260 2.727 2.634 2.834 . 0 0 "[ . 1 . 2]" 1
159 1 24 ALA H 1 25 GLY HA2 5.500 . 5.500 4.877 4.373 5.420 . 0 0 "[ . 1 . 2]" 1
160 1 24 ALA H 1 25 GLY HA3 5.500 . 5.500 4.781 4.354 5.503 0.003 10 0 "[ . 1 . 2]" 1
161 1 24 ALA HA 1 25 GLY H 3.080 . 3.080 2.519 2.258 2.767 . 0 0 "[ . 1 . 2]" 1
162 1 24 ALA MB 1 25 GLY H 3.790 . 3.790 2.555 2.208 3.722 . 0 0 "[ . 1 . 2]" 1
163 1 25 GLY QA 1 26 ALA H 2.980 . 2.980 2.296 2.112 2.940 . 0 0 "[ . 1 . 2]" 1
164 1 25 GLY HA2 1 26 ALA H 3.500 . 3.500 2.482 2.144 3.405 . 0 0 "[ . 1 . 2]" 1
165 1 25 GLY HA3 1 26 ALA H 3.500 . 3.500 2.875 2.416 3.500 . 0 0 "[ . 1 . 2]" 1
166 1 26 ALA H 1 26 ALA MB 3.000 . 3.000 2.698 2.258 2.843 . 0 0 "[ . 1 . 2]" 1
167 1 26 ALA HA 1 27 ALA H 2.920 . 2.920 2.485 2.267 2.958 0.038 16 0 "[ . 1 . 2]" 1
168 1 26 ALA MB 1 27 ALA H 3.240 . 3.240 2.516 2.298 3.393 0.153 16 0 "[ . 1 . 2]" 1
169 1 27 ALA H 1 27 ALA MB 3.430 . 3.430 2.664 2.245 2.762 . 0 0 "[ . 1 . 2]" 1
170 1 27 ALA HA 1 28 ALA H 2.900 . 2.900 2.398 2.234 2.547 . 0 0 "[ . 1 . 2]" 1
171 1 27 ALA MB 1 28 ALA H 3.250 . 3.250 2.579 2.371 3.027 . 0 0 "[ . 1 . 2]" 1
172 1 28 ALA H 1 28 ALA MB 2.950 . 2.950 2.592 2.247 2.786 . 0 0 "[ . 1 . 2]" 1
173 1 28 ALA HA 1 29 ALA H 3.080 . 3.080 2.402 2.130 2.904 . 0 0 "[ . 1 . 2]" 1
174 1 29 ALA H 1 29 ALA MB 3.230 . 3.230 2.546 2.220 2.846 . 0 0 "[ . 1 . 2]" 1
175 1 29 ALA HA 1 30 GLY H 2.950 . 2.950 2.445 2.154 2.956 0.006 14 0 "[ . 1 . 2]" 1
176 1 29 ALA MB 1 30 GLY H 3.520 . 3.520 2.690 2.188 3.574 0.054 1 0 "[ . 1 . 2]" 1
177 1 31 ALA HA 1 32 VAL H 2.650 . 2.650 2.268 2.122 2.405 . 0 0 "[ . 1 . 2]" 1
178 1 31 ALA HA 1 32 VAL QG 3.750 . 3.750 3.532 3.332 3.815 0.065 11 0 "[ . 1 . 2]" 1
179 1 31 ALA MB 1 32 VAL H 3.270 . 3.270 2.774 2.529 3.271 0.001 7 0 "[ . 1 . 2]" 1
180 1 31 ALA MB 1 32 VAL HA 4.340 . 4.340 4.295 4.098 4.387 0.047 17 0 "[ . 1 . 2]" 1
181 1 31 ALA MB 1 33 VAL H 4.470 . 4.470 3.133 2.379 4.496 0.026 15 0 "[ . 1 . 2]" 1
182 1 31 ALA MB 1 33 VAL HA 4.980 . 4.980 4.758 4.455 4.986 0.006 4 0 "[ . 1 . 2]" 1
183 1 32 VAL H 1 32 VAL HB 3.010 . 3.010 2.572 2.461 3.021 0.011 15 0 "[ . 1 . 2]" 1
184 1 32 VAL H 1 32 VAL QG 2.920 . 2.920 2.213 1.761 2.680 . 0 0 "[ . 1 . 2]" 1
185 1 32 VAL HA 1 32 VAL MG1 2.880 . 2.880 2.571 2.355 3.079 0.199 19 0 "[ . 1 . 2]" 1
186 1 32 VAL HA 1 32 VAL QG 2.440 . 2.440 2.180 2.138 2.423 . 0 0 "[ . 1 . 2]" 1
187 1 32 VAL HA 1 32 VAL MG2 2.880 . 2.880 2.407 2.245 2.540 . 0 0 "[ . 1 . 2]" 1
188 1 33 VAL H 1 33 VAL HB 2.880 . 2.880 2.705 2.540 2.873 . 0 0 "[ . 1 . 2]" 1
189 1 33 VAL H 1 33 VAL MG2 2.800 . 2.800 2.558 2.016 2.807 0.007 18 0 "[ . 1 . 2]" 1
190 1 33 VAL HA 1 33 VAL MG1 2.600 . 2.600 2.336 2.247 2.396 . 0 0 "[ . 1 . 2]" 1
191 1 33 VAL HA 1 33 VAL MG2 2.870 . 2.870 2.528 2.465 2.619 . 0 0 "[ . 1 . 2]" 1
192 1 33 VAL HA 1 34 GLY H 2.720 . 2.720 2.292 2.232 2.354 . 0 0 "[ . 1 . 2]" 1
193 1 33 VAL HA 1 36 LEU QD 4.170 . 4.170 3.951 3.567 4.137 . 0 0 "[ . 1 . 2]" 1
194 1 33 VAL HA 1 41 LEU MD1 4.850 . 4.850 4.265 3.815 4.565 . 0 0 "[ . 1 . 2]" 1
195 1 33 VAL HA 1 73 TYR HE2 4.360 . 4.360 3.268 2.800 3.603 . 0 0 "[ . 1 . 2]" 1
196 1 33 VAL HB 1 34 GLY H 3.880 . 3.880 3.848 3.757 3.890 0.010 16 0 "[ . 1 . 2]" 1
197 1 33 VAL HB 1 34 GLY HA2 5.430 . 5.430 5.004 4.867 5.086 . 0 0 "[ . 1 . 2]" 1
198 1 33 VAL HB 1 35 GLY H 4.550 . 4.550 2.902 2.688 3.003 . 0 0 "[ . 1 . 2]" 1
199 1 33 VAL HB 1 35 GLY HA2 4.540 . 4.540 4.095 3.809 4.286 . 0 0 "[ . 1 . 2]" 1
200 1 33 VAL HB 1 36 LEU QD 4.640 . 4.640 4.497 4.449 4.531 . 0 0 "[ . 1 . 2]" 1
201 1 33 VAL MG1 1 34 GLY H 3.290 . 3.290 2.320 2.243 2.394 . 0 0 "[ . 1 . 2]" 1
202 1 33 VAL MG1 1 34 GLY HA3 4.130 . 4.130 3.817 3.738 3.918 . 0 0 "[ . 1 . 2]" 1
203 1 33 VAL MG1 1 35 GLY H 4.000 . 4.000 2.686 2.576 2.807 . 0 0 "[ . 1 . 2]" 1
204 1 33 VAL MG1 1 35 GLY HA2 4.420 . 4.420 3.813 3.704 3.939 . 0 0 "[ . 1 . 2]" 1
205 1 33 VAL MG1 1 36 LEU H 3.780 . 3.780 1.878 1.731 2.111 . 0 0 "[ . 1 . 2]" 1
206 1 33 VAL MG1 1 36 LEU HA 3.860 . 3.860 3.928 3.891 3.974 0.114 18 0 "[ . 1 . 2]" 1
207 1 33 VAL MG1 1 36 LEU QB 3.440 . 3.440 2.022 1.985 2.056 . 0 0 "[ . 1 . 2]" 1
208 1 33 VAL MG1 1 36 LEU QD 3.380 . 3.380 2.133 2.028 2.180 . 0 0 "[ . 1 . 2]" 1
209 1 33 VAL MG1 1 36 LEU HG 3.670 . 3.670 2.250 2.151 2.389 . 0 0 "[ . 1 . 2]" 1
210 1 33 VAL MG1 1 37 GLY HA2 4.840 . 4.840 4.022 3.770 4.239 . 0 0 "[ . 1 . 2]" 1
211 1 33 VAL MG1 1 39 TYR HB3 5.460 . 5.460 4.809 4.647 5.014 . 0 0 "[ . 1 . 2]" 1
212 1 33 VAL MG1 1 40 MET HA 4.570 . 4.570 4.014 3.838 4.272 . 0 0 "[ . 1 . 2]" 1
213 1 33 VAL MG1 1 40 MET ME 2.820 . 2.820 2.385 2.255 2.596 . 0 0 "[ . 1 . 2]" 1
214 1 33 VAL MG1 1 73 TYR HD2 4.120 . 4.120 3.632 3.406 3.865 . 0 0 "[ . 1 . 2]" 1
215 1 33 VAL MG1 1 73 TYR HE2 3.750 . 3.750 2.420 2.172 2.709 . 0 0 "[ . 1 . 2]" 1
216 1 33 VAL MG1 1 97 GLN HB3 4.640 . 4.640 4.675 4.650 4.730 0.090 18 0 "[ . 1 . 2]" 1
217 1 33 VAL MG2 1 36 LEU QB 4.100 . 4.100 3.977 3.908 4.010 . 0 0 "[ . 1 . 2]" 1
218 1 33 VAL MG2 1 37 GLY HA2 4.430 . 4.430 4.451 4.436 4.499 0.069 18 0 "[ . 1 . 2]" 1
219 1 33 VAL MG2 1 40 MET ME 3.170 . 3.170 2.253 2.055 2.612 . 0 0 "[ . 1 . 2]" 1
220 1 33 VAL MG2 1 73 TYR HE2 4.490 . 4.490 3.136 2.901 3.496 . 0 0 "[ . 1 . 2]" 1
221 1 34 GLY H 1 34 GLY HA3 2.720 . 2.720 2.311 2.304 2.320 . 0 0 "[ . 1 . 2]" 1
222 1 34 GLY H 1 35 GLY H 3.300 . 3.300 3.307 3.301 3.317 0.017 18 0 "[ . 1 . 2]" 1
223 1 34 GLY HA3 1 36 LEU QD 4.710 . 4.710 3.696 3.442 3.989 . 0 0 "[ . 1 . 2]" 1
224 1 34 GLY HA3 1 36 LEU HG 4.310 . 4.310 3.695 3.508 3.911 . 0 0 "[ . 1 . 2]" 1
225 1 35 GLY H 1 35 GLY HA2 2.520 . 2.520 2.302 2.282 2.318 . 0 0 "[ . 1 . 2]" 1
226 1 35 GLY H 1 36 LEU HA 5.250 . 5.250 5.241 5.214 5.255 0.005 4 0 "[ . 1 . 2]" 1
227 1 35 GLY H 1 36 LEU HG 4.560 . 4.560 3.900 3.633 4.188 . 0 0 "[ . 1 . 2]" 1
228 1 35 GLY HA2 1 36 LEU H 3.020 . 3.020 2.759 2.573 3.020 . 7 0 "[ . 1 . 2]" 1
229 1 35 GLY HA2 1 36 LEU HA 4.770 . 4.770 4.568 4.467 4.711 . 0 0 "[ . 1 . 2]" 1
230 1 35 GLY HA2 1 36 LEU QB 5.160 . 5.160 4.912 4.891 4.928 . 0 0 "[ . 1 . 2]" 1
231 1 35 GLY HA2 1 36 LEU HG 5.500 . 5.500 4.730 4.464 5.105 . 0 0 "[ . 1 . 2]" 1
232 1 35 GLY HA2 1 37 GLY H 5.140 . 5.140 4.494 3.980 4.893 . 0 0 "[ . 1 . 2]" 1
233 1 35 GLY HA3 1 36 LEU HA 5.170 . 5.170 4.561 4.545 4.593 . 0 0 "[ . 1 . 2]" 1
234 1 35 GLY HA3 1 36 LEU QD 5.070 . 5.070 4.560 4.290 4.871 . 0 0 "[ . 1 . 2]" 1
235 1 35 GLY HA3 1 36 LEU HG 5.500 . 5.500 4.703 4.400 5.104 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU H 1 36 LEU QD . . 3.920 3.248 3.065 3.438 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU H 1 37 GLY H 3.310 . 3.310 2.532 2.420 2.696 . 0 0 "[ . 1 . 2]" 1
238 1 36 LEU HA 1 36 LEU QD . . 2.820 2.141 2.077 2.210 . 0 0 "[ . 1 . 2]" 1
239 1 36 LEU HA 1 36 LEU HG 3.440 . 3.440 3.081 2.990 3.131 . 0 0 "[ . 1 . 2]" 1
240 1 36 LEU HA 1 37 GLY HA3 4.730 . 4.730 4.708 4.678 4.731 0.001 15 0 "[ . 1 . 2]" 1
241 1 36 LEU HA 1 39 TYR QD 4.510 . 4.510 4.482 4.360 4.500 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU QB 1 37 GLY H 3.780 . 3.780 2.127 1.990 2.289 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU QB 1 37 GLY HA2 . . 4.380 4.032 3.939 4.120 . 0 0 "[ . 1 . 2]" 1
244 1 36 LEU QB 1 37 GLY HA3 5.140 . 5.140 4.239 4.187 4.287 . 0 0 "[ . 1 . 2]" 1
245 1 36 LEU QB 1 39 TYR HB2 3.990 . 3.990 1.980 1.939 2.062 . 0 0 "[ . 1 . 2]" 1
246 1 36 LEU QB 1 39 TYR HB3 4.360 . 4.360 3.427 3.326 3.547 . 0 0 "[ . 1 . 2]" 1
247 1 36 LEU QB 1 39 TYR QD 4.150 . 4.150 3.109 2.924 3.324 . 0 0 "[ . 1 . 2]" 1
248 1 36 LEU QB 1 40 MET HA 5.090 . 5.090 4.710 4.584 4.788 . 0 0 "[ . 1 . 2]" 1
249 1 36 LEU QB 1 40 MET ME 4.190 . 4.190 3.057 2.965 3.160 . 0 0 "[ . 1 . 2]" 1
250 1 36 LEU QB 1 73 TYR HE2 4.850 . 4.850 4.589 4.442 4.654 . 0 0 "[ . 1 . 2]" 1
251 1 36 LEU QD 1 37 GLY H 4.700 . 4.700 3.755 3.666 3.885 . 0 0 "[ . 1 . 2]" 1
252 1 36 LEU QD 1 39 TYR HA 4.590 . 4.590 4.200 4.056 4.285 . 0 0 "[ . 1 . 2]" 1
253 1 36 LEU QD 1 39 TYR HB3 . . 3.840 2.425 2.223 2.544 . 0 0 "[ . 1 . 2]" 1
254 1 36 LEU QD 1 39 TYR QD . . 3.890 3.157 3.029 3.251 . 0 0 "[ . 1 . 2]" 1
255 1 36 LEU QD 1 40 MET HA 4.000 . 4.000 3.948 3.876 3.981 . 0 0 "[ . 1 . 2]" 1
256 1 36 LEU QD 1 73 TYR QB 4.560 . 4.560 2.980 2.859 3.067 . 0 0 "[ . 1 . 2]" 1
257 1 36 LEU QD 1 73 TYR HD1 5.500 . 5.500 3.780 3.602 3.894 . 0 0 "[ . 1 . 2]" 1
258 1 36 LEU QD 1 73 TYR HD2 . . 4.270 2.753 2.710 2.811 . 0 0 "[ . 1 . 2]" 1
259 1 36 LEU QD 1 73 TYR HE2 3.530 . 3.530 2.828 2.656 2.905 . 0 0 "[ . 1 . 2]" 1
260 1 36 LEU QD 1 93 ILE HG13 3.890 . 3.890 3.195 2.992 3.347 . 0 0 "[ . 1 . 2]" 1
261 1 36 LEU QD 1 93 ILE MG . . 3.340 2.274 2.131 2.424 . 0 0 "[ . 1 . 2]" 1
262 1 36 LEU QD 1 94 THR HA 5.500 . 5.500 4.386 4.170 4.482 . 0 0 "[ . 1 . 2]" 1
263 1 36 LEU QD 1 97 GLN HA 4.500 . 4.500 4.219 4.200 4.247 . 0 0 "[ . 1 . 2]" 1
264 1 36 LEU QD 1 97 GLN HB2 4.380 . 4.380 3.641 3.603 3.669 . 0 0 "[ . 1 . 2]" 1
265 1 36 LEU QD 1 97 GLN HB3 . . 4.040 3.315 3.234 3.431 . 0 0 "[ . 1 . 2]" 1
266 1 36 LEU QD 1 97 GLN HE21 4.600 . 4.600 2.817 2.603 2.943 . 0 0 "[ . 1 . 2]" 1
267 1 36 LEU QD 1 97 GLN HG2 3.990 . 3.990 2.721 2.473 2.804 . 0 0 "[ . 1 . 2]" 1
268 1 36 LEU QD 1 97 GLN HG3 3.580 . 3.580 1.854 1.820 1.926 . 0 0 "[ . 1 . 2]" 1
269 1 36 LEU HG 1 73 TYR HE2 5.040 . 5.040 4.910 4.778 5.042 0.002 8 0 "[ . 1 . 2]" 1
270 1 37 GLY H 1 37 GLY HA2 2.860 . 2.860 2.298 2.269 2.323 . 0 0 "[ . 1 . 2]" 1
271 1 37 GLY H 1 38 GLY H 3.760 . 3.760 3.720 3.644 3.770 0.010 4 0 "[ . 1 . 2]" 1
272 1 37 GLY HA2 1 40 MET ME 3.270 . 3.270 2.586 2.305 2.772 . 0 0 "[ . 1 . 2]" 1
273 1 38 GLY H 1 38 GLY HA3 2.910 . 2.910 2.334 2.323 2.350 . 0 0 "[ . 1 . 2]" 1
274 1 38 GLY H 1 39 TYR H 3.550 . 3.550 2.705 2.478 2.977 . 0 0 "[ . 1 . 2]" 1
275 1 38 GLY HA2 1 39 TYR QD 5.190 . 5.190 4.921 4.723 5.121 . 0 0 "[ . 1 . 2]" 1
276 1 38 GLY HA2 1 40 MET ME 4.300 . 4.300 4.225 4.135 4.307 0.007 12 0 "[ . 1 . 2]" 1
277 1 38 GLY HA3 1 39 TYR HB2 5.260 . 5.260 4.975 4.910 5.043 . 0 0 "[ . 1 . 2]" 1
278 1 38 GLY HA3 1 39 TYR QD 4.220 . 4.220 3.755 3.569 3.974 . 0 0 "[ . 1 . 2]" 1
279 1 38 GLY HA3 1 40 MET ME 5.070 . 5.070 5.082 4.933 5.133 0.063 17 0 "[ . 1 . 2]" 1
280 1 39 TYR H 1 39 TYR HB3 3.700 . 3.700 3.640 3.510 3.711 0.011 6 0 "[ . 1 . 2]" 1
281 1 39 TYR H 1 39 TYR QD 4.000 . 4.000 3.257 2.575 3.740 . 0 0 "[ . 1 . 2]" 1
282 1 39 TYR H 1 40 MET H 4.250 . 4.250 4.052 3.827 4.265 0.015 13 0 "[ . 1 . 2]" 1
283 1 39 TYR HA 1 39 TYR QD . . 3.450 3.075 2.985 3.116 . 0 0 "[ . 1 . 2]" 1
284 1 39 TYR HA 1 40 MET HB2 4.550 . 4.550 4.343 4.267 4.437 . 0 0 "[ . 1 . 2]" 1
285 1 39 TYR HA 1 40 MET ME 4.250 . 4.250 4.154 4.078 4.244 . 0 0 "[ . 1 . 2]" 1
286 1 39 TYR HA 1 73 TYR QB 3.630 . 3.630 3.410 3.276 3.515 . 0 0 "[ . 1 . 2]" 1
287 1 39 TYR HA 1 73 TYR HD2 4.710 . 4.710 4.708 4.662 4.728 0.018 20 0 "[ . 1 . 2]" 1
288 1 39 TYR HA 1 74 TYR H 5.310 . 5.310 4.073 3.906 4.304 . 0 0 "[ . 1 . 2]" 1
289 1 39 TYR HA 1 93 ILE MG 5.050 . 5.050 4.838 4.758 4.894 . 0 0 "[ . 1 . 2]" 1
290 1 39 TYR HB2 1 73 TYR HD2 4.620 . 4.620 4.333 4.255 4.470 . 0 0 "[ . 1 . 2]" 1
291 1 39 TYR HB3 1 39 TYR QD 3.110 . 3.110 2.416 2.388 2.442 . 0 0 "[ . 1 . 2]" 1
292 1 39 TYR HB3 1 40 MET H 4.010 . 4.010 3.779 3.698 3.860 . 0 0 "[ . 1 . 2]" 1
293 1 39 TYR HB3 1 40 MET ME 4.490 . 4.490 4.536 4.507 4.599 0.109 18 0 "[ . 1 . 2]" 1
294 1 39 TYR HB3 1 73 TYR HA 4.720 . 4.720 4.410 4.347 4.473 . 0 0 "[ . 1 . 2]" 1
295 1 39 TYR HB3 1 73 TYR HD2 3.690 . 3.690 3.380 3.328 3.434 . 0 0 "[ . 1 . 2]" 1
296 1 39 TYR HB3 1 93 ILE HG12 4.560 . 4.560 4.536 4.444 4.568 0.008 1 0 "[ . 1 . 2]" 1
297 1 39 TYR HB3 1 93 ILE MG 3.380 . 3.380 2.740 2.657 2.796 . 0 0 "[ . 1 . 2]" 1
298 1 39 TYR QD 1 73 TYR H 5.420 . 5.420 4.937 4.648 5.125 . 0 0 "[ . 1 . 2]" 1
299 1 39 TYR QD 1 73 TYR HA 5.500 . 5.500 4.675 4.439 4.849 . 0 0 "[ . 1 . 2]" 1
300 1 39 TYR QD 1 73 TYR QB 3.770 . 3.770 2.565 2.396 2.728 . 0 0 "[ . 1 . 2]" 1
301 1 39 TYR QD 1 74 TYR HA 4.130 . 4.130 3.210 2.918 3.548 . 0 0 "[ . 1 . 2]" 1
302 1 39 TYR QD 1 93 ILE HB 3.710 . 3.710 3.692 3.644 3.706 . 0 0 "[ . 1 . 2]" 1
303 1 39 TYR QD 1 93 ILE HG12 4.090 . 4.090 3.369 3.257 3.474 . 0 0 "[ . 1 . 2]" 1
304 1 39 TYR QD 1 93 ILE MG 3.210 . 3.210 2.771 2.679 2.843 . 0 0 "[ . 1 . 2]" 1
305 1 39 TYR QE 1 74 TYR HA 4.990 . 4.990 3.872 3.323 4.326 . 0 0 "[ . 1 . 2]" 1
306 1 39 TYR QE 1 93 ILE HB 3.890 . 3.890 3.680 3.464 3.836 . 0 0 "[ . 1 . 2]" 1
307 1 39 TYR QE 1 93 ILE HG13 4.920 . 4.920 4.311 4.172 4.429 . 0 0 "[ . 1 . 2]" 1
308 1 40 MET H 1 40 MET HB2 4.060 . 4.060 2.670 2.634 2.708 . 0 0 "[ . 1 . 2]" 1
309 1 40 MET H 1 40 MET HB3 4.170 . 4.170 3.106 3.085 3.117 . 0 0 "[ . 1 . 2]" 1
310 1 40 MET H 1 40 MET ME 4.600 . 4.600 3.586 3.496 3.669 . 0 0 "[ . 1 . 2]" 1
311 1 40 MET H 1 41 LEU H 4.750 . 4.750 4.494 4.476 4.519 . 0 0 "[ . 1 . 2]" 1
312 1 40 MET H 1 74 TYR H 4.460 . 4.460 3.125 2.897 3.325 . 0 0 "[ . 1 . 2]" 1
313 1 40 MET HA 1 40 MET ME 3.230 . 3.230 2.282 2.240 2.317 . 0 0 "[ . 1 . 2]" 1
314 1 40 MET HA 1 40 MET HG3 2.860 . 2.860 2.172 2.159 2.195 . 0 0 "[ . 1 . 2]" 1
315 1 40 MET HA 1 41 LEU H 3.220 . 3.220 2.468 2.430 2.495 . 0 0 "[ . 1 . 2]" 1
316 1 40 MET HA 1 41 LEU MD1 3.590 . 3.590 3.534 3.475 3.608 0.018 17 0 "[ . 1 . 2]" 1
317 1 40 MET HA 1 41 LEU HG 3.700 . 3.700 3.242 3.203 3.297 . 0 0 "[ . 1 . 2]" 1
318 1 40 MET HA 1 73 TYR HD2 3.940 . 3.940 2.393 2.309 2.464 . 0 0 "[ . 1 . 2]" 1
319 1 40 MET HA 1 73 TYR HE2 3.870 . 3.870 3.875 3.871 3.894 0.024 18 0 "[ . 1 . 2]" 1
320 1 40 MET HB2 1 40 MET ME 3.970 . 3.970 2.474 2.394 2.539 . 0 0 "[ . 1 . 2]" 1
321 1 40 MET HB2 1 41 LEU H 4.290 . 4.290 3.990 3.966 4.012 . 0 0 "[ . 1 . 2]" 1
322 1 40 MET HB3 1 40 MET ME 3.720 . 3.720 3.690 3.636 3.720 . 0 0 "[ . 1 . 2]" 1
323 1 40 MET HB3 1 40 MET HG3 2.850 . 2.850 2.740 2.719 2.757 . 0 0 "[ . 1 . 2]" 1
324 1 40 MET HB3 1 41 LEU H 3.480 . 3.480 2.924 2.880 2.991 . 0 0 "[ . 1 . 2]" 1
325 1 40 MET HB3 1 41 LEU HG 5.090 . 5.090 5.096 5.092 5.103 0.013 18 0 "[ . 1 . 2]" 1
326 1 40 MET ME 1 40 MET HG3 3.080 . 3.080 2.544 2.515 2.576 . 0 0 "[ . 1 . 2]" 1
327 1 40 MET ME 1 41 LEU MD1 4.050 . 4.050 4.072 3.968 4.152 0.102 17 0 "[ . 1 . 2]" 1
328 1 40 MET ME 1 41 LEU HG 4.670 . 4.670 4.682 4.621 4.698 0.028 20 0 "[ . 1 . 2]" 1
329 1 40 MET HG2 1 41 LEU MD1 4.600 . 4.600 4.293 4.209 4.402 . 0 0 "[ . 1 . 2]" 1
330 1 40 MET HG3 1 41 LEU H 3.870 . 3.870 2.207 2.150 2.256 . 0 0 "[ . 1 . 2]" 1
331 1 40 MET HG3 1 41 LEU HA 5.170 . 5.170 5.060 5.014 5.101 . 0 0 "[ . 1 . 2]" 1
332 1 40 MET HG3 1 41 LEU MD1 4.280 . 4.280 3.105 3.008 3.229 . 0 0 "[ . 1 . 2]" 1
333 1 40 MET HG3 1 73 TYR HE2 5.150 . 5.150 4.836 4.770 4.901 . 0 0 "[ . 1 . 2]" 1
334 1 41 LEU H 1 41 LEU HB2 3.720 . 3.720 2.788 2.730 2.842 . 0 0 "[ . 1 . 2]" 1
335 1 41 LEU H 1 41 LEU MD1 4.210 . 4.210 2.267 2.185 2.333 . 0 0 "[ . 1 . 2]" 1
336 1 41 LEU H 1 41 LEU MD2 4.010 . 4.010 4.025 4.012 4.042 0.032 18 0 "[ . 1 . 2]" 1
337 1 41 LEU H 1 41 LEU HG 4.180 . 4.180 2.570 2.535 2.606 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU H 1 73 TYR QB 5.460 . 5.460 5.016 4.974 5.075 . 0 0 "[ . 1 . 2]" 1
339 1 41 LEU HA 1 41 LEU MD1 3.840 . 3.840 3.845 3.836 3.853 0.013 3 0 "[ . 1 . 2]" 1
340 1 41 LEU HA 1 41 LEU MD2 3.420 . 3.420 3.341 3.288 3.413 . 0 0 "[ . 1 . 2]" 1
341 1 41 LEU HA 1 41 LEU HG 3.500 . 3.500 2.875 2.836 2.921 . 0 0 "[ . 1 . 2]" 1
342 1 41 LEU HA 1 73 TYR HA 3.760 . 3.760 2.455 2.359 2.618 . 0 0 "[ . 1 . 2]" 1
343 1 41 LEU HA 1 73 TYR HD2 4.490 . 4.490 4.322 4.233 4.455 . 0 0 "[ . 1 . 2]" 1
344 1 41 LEU HA 1 74 TYR H 4.290 . 4.290 3.402 3.273 3.533 . 0 0 "[ . 1 . 2]" 1
345 1 41 LEU HA 1 74 TYR HD1 3.710 . 3.710 3.299 3.031 3.445 . 0 0 "[ . 1 . 2]" 1
346 1 41 LEU HA 1 74 TYR HE1 3.680 . 3.680 3.391 3.288 3.486 . 0 0 "[ . 1 . 2]" 1
347 1 41 LEU HA 1 128 GLN HE22 4.130 . 4.130 3.956 3.708 4.133 0.003 13 0 "[ . 1 . 2]" 1
348 1 41 LEU HB2 1 41 LEU MD1 3.110 . 3.110 2.110 2.078 2.132 . 0 0 "[ . 1 . 2]" 1
349 1 41 LEU HB2 1 41 LEU MD2 2.940 . 2.940 2.885 2.838 2.946 0.006 7 0 "[ . 1 . 2]" 1
350 1 41 LEU HB2 1 42 GLY HA3 5.280 . 5.280 5.104 5.054 5.171 . 0 0 "[ . 1 . 2]" 1
351 1 41 LEU HB2 1 73 TYR HA 4.980 . 4.980 4.914 4.867 4.950 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU HB2 1 73 TYR HD2 5.260 . 5.260 5.258 5.217 5.268 0.008 19 0 "[ . 1 . 2]" 1
353 1 41 LEU HB2 1 128 GLN HE22 4.880 . 4.880 4.886 4.848 4.895 0.015 16 0 "[ . 1 . 2]" 1
354 1 41 LEU HB3 1 41 LEU MD1 3.220 . 3.220 2.985 2.944 3.020 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU HB3 1 41 LEU MD2 3.040 . 3.040 2.165 2.127 2.211 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU HB3 1 42 GLY HA3 4.850 . 4.850 4.784 4.709 4.866 0.016 10 0 "[ . 1 . 2]" 1
357 1 41 LEU HB3 1 73 TYR HA 4.100 . 4.100 3.960 3.912 4.069 . 0 0 "[ . 1 . 2]" 1
358 1 41 LEU HB3 1 73 TYR HD2 5.310 . 5.310 5.141 5.100 5.237 . 0 0 "[ . 1 . 2]" 1
359 1 41 LEU HB3 1 74 TYR HD1 4.940 . 4.940 4.889 4.690 4.946 0.006 8 0 "[ . 1 . 2]" 1
360 1 41 LEU HB3 1 74 TYR HE1 4.550 . 4.550 4.482 4.329 4.574 0.024 18 0 "[ . 1 . 2]" 1
361 1 41 LEU HB3 1 128 GLN HE22 4.400 . 4.400 3.455 3.345 3.503 . 0 0 "[ . 1 . 2]" 1
362 1 41 LEU MD1 1 42 GLY H 4.860 . 4.860 4.814 4.689 4.870 0.010 19 0 "[ . 1 . 2]" 1
363 1 41 LEU MD1 1 71 GLN HB2 3.580 . 3.580 3.641 3.601 3.712 0.132 18 0 "[ . 1 . 2]" 1
364 1 41 LEU MD1 1 71 GLN HB3 4.200 . 4.200 4.030 3.952 4.134 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU MD1 1 71 GLN HE21 4.440 . 4.440 3.037 2.346 4.479 0.039 3 0 "[ . 1 . 2]" 1
366 1 41 LEU MD1 1 73 TYR HA 4.630 . 4.630 4.653 4.614 4.684 0.054 18 0 "[ . 1 . 2]" 1
367 1 41 LEU MD1 1 73 TYR QB 5.440 . 5.440 4.991 4.948 5.039 . 0 0 "[ . 1 . 2]" 1
368 1 41 LEU MD1 1 73 TYR HD2 3.710 . 3.710 3.516 3.449 3.575 . 0 0 "[ . 1 . 2]" 1
369 1 41 LEU MD1 1 73 TYR HE2 3.440 . 3.440 2.568 2.508 2.655 . 0 0 "[ . 1 . 2]" 1
370 1 41 LEU MD2 1 44 ALA MB 5.280 . 5.280 5.365 5.285 5.428 0.148 20 0 "[ . 1 . 2]" 1
371 1 41 LEU MD2 1 71 GLN HA 4.110 . 4.110 4.093 4.027 4.131 0.021 16 0 "[ . 1 . 2]" 1
372 1 41 LEU MD2 1 71 GLN HB2 3.970 . 3.970 1.956 1.927 1.988 . 0 0 "[ . 1 . 2]" 1
373 1 41 LEU MD2 1 71 GLN HB3 3.920 . 3.920 2.541 2.466 2.651 . 0 0 "[ . 1 . 2]" 1
374 1 41 LEU MD2 1 71 GLN HE21 4.160 . 4.160 2.578 1.922 4.164 0.004 3 0 "[ . 1 . 2]" 1
375 1 41 LEU MD2 1 71 GLN HG3 4.300 . 4.300 4.061 3.945 4.193 . 0 0 "[ . 1 . 2]" 1
376 1 41 LEU MD2 1 73 TYR HA 4.360 . 4.360 3.435 3.403 3.488 . 0 0 "[ . 1 . 2]" 1
377 1 41 LEU MD2 1 73 TYR HD1 4.520 . 4.520 3.794 3.707 3.883 . 0 0 "[ . 1 . 2]" 1
378 1 41 LEU MD2 1 73 TYR HD2 4.130 . 4.130 3.509 3.450 3.560 . 0 0 "[ . 1 . 2]" 1
379 1 41 LEU MD2 1 73 TYR HE1 4.190 . 4.190 3.497 3.402 3.602 . 0 0 "[ . 1 . 2]" 1
380 1 41 LEU MD2 1 73 TYR HE2 3.810 . 3.810 3.070 2.992 3.140 . 0 0 "[ . 1 . 2]" 1
381 1 41 LEU MD2 1 94 THR MG 4.300 . 4.300 3.607 3.511 3.705 . 0 0 "[ . 1 . 2]" 1
382 1 41 LEU HG 1 73 TYR HA 4.610 . 4.610 3.114 3.051 3.164 . 0 0 "[ . 1 . 2]" 1
383 1 41 LEU HG 1 73 TYR HD2 5.000 . 5.000 2.466 2.445 2.507 . 0 0 "[ . 1 . 2]" 1
384 1 41 LEU HG 1 73 TYR HE2 4.390 . 4.390 3.103 3.051 3.197 . 0 0 "[ . 1 . 2]" 1
385 1 42 GLY H 1 43 SER H 4.300 . 4.300 4.021 2.804 4.253 . 0 0 "[ . 1 . 2]" 1
386 1 42 GLY HA3 1 43 SER H 3.280 . 3.280 2.320 2.222 2.393 . 0 0 "[ . 1 . 2]" 1
387 1 42 GLY HA3 1 45 MET ME 5.500 . 5.500 4.948 4.700 5.124 . 0 0 "[ . 1 . 2]" 1
388 1 42 GLY HA3 1 72 VAL MG2 5.500 . 5.500 5.049 4.842 5.511 0.011 1 0 "[ . 1 . 2]" 1
389 1 42 GLY HA3 1 74 TYR HD1 5.130 . 5.130 4.934 4.696 5.134 0.004 15 0 "[ . 1 . 2]" 1
390 1 42 GLY HA3 1 74 TYR HE1 3.830 . 3.830 2.520 2.254 2.742 . 0 0 "[ . 1 . 2]" 1
391 1 42 GLY HA3 1 128 GLN HB3 5.500 . 5.500 4.870 4.483 5.203 . 0 0 "[ . 1 . 2]" 1
392 1 42 GLY HA3 1 128 GLN HG2 4.320 . 4.320 3.167 2.847 3.926 . 0 0 "[ . 1 . 2]" 1
393 1 43 SER H 1 43 SER HB2 3.260 . 3.260 2.913 2.818 3.043 . 0 0 "[ . 1 . 2]" 1
394 1 43 SER H 1 44 ALA H 4.510 . 4.510 4.516 4.396 4.549 0.039 18 0 "[ . 1 . 2]" 1
395 1 43 SER HA 1 43 SER HB3 2.730 . 2.730 2.294 2.272 2.325 . 0 0 "[ . 1 . 2]" 1
396 1 43 SER HA 1 44 ALA H 3.240 . 3.240 2.503 2.452 2.598 . 0 0 "[ . 1 . 2]" 1
397 1 43 SER HA 1 44 ALA MB 4.010 . 4.010 3.883 3.788 3.992 . 0 0 "[ . 1 . 2]" 1
398 1 43 SER HB2 1 44 ALA H 3.520 . 3.520 2.787 2.696 2.948 . 0 0 "[ . 1 . 2]" 1
399 1 43 SER HB2 1 44 ALA MB 4.520 . 4.520 4.554 4.531 4.619 0.099 18 0 "[ . 1 . 2]" 1
400 1 43 SER HB2 1 45 MET ME 3.350 . 3.350 2.642 2.468 2.883 . 0 0 "[ . 1 . 2]" 1
401 1 43 SER HB2 1 131 ARG HD2 3.680 . 3.680 3.509 3.237 3.681 0.001 20 0 "[ . 1 . 2]" 1
402 1 43 SER HB2 1 131 ARG HD3 3.660 . 3.660 3.415 2.767 3.668 0.008 18 0 "[ . 1 . 2]" 1
403 1 43 SER HB3 1 44 ALA MB 4.690 . 4.690 4.337 4.215 4.509 . 0 0 "[ . 1 . 2]" 1
404 1 44 ALA H 1 44 ALA MB 3.160 . 3.160 2.392 2.330 2.472 . 0 0 "[ . 1 . 2]" 1
405 1 44 ALA H 1 45 MET HA 4.860 . 4.860 4.863 4.727 4.896 0.036 18 0 "[ . 1 . 2]" 1
406 1 44 ALA HA 1 45 MET H 3.300 . 3.300 2.375 2.296 2.433 . 0 0 "[ . 1 . 2]" 1
407 1 44 ALA HA 1 45 MET ME 3.400 . 3.400 2.544 2.460 2.671 . 0 0 "[ . 1 . 2]" 1
408 1 44 ALA HA 1 45 MET HG2 4.110 . 4.110 3.693 3.581 3.805 . 0 0 "[ . 1 . 2]" 1
409 1 44 ALA HA 1 71 GLN HB3 4.360 . 4.360 4.144 4.051 4.249 . 0 0 "[ . 1 . 2]" 1
410 1 44 ALA HA 1 71 GLN HG3 3.800 . 3.800 3.383 3.198 3.633 . 0 0 "[ . 1 . 2]" 1
411 1 44 ALA HA 1 72 VAL H 5.500 . 5.500 4.951 4.878 5.018 . 0 0 "[ . 1 . 2]" 1
412 1 44 ALA HA 1 124 MET HB3 4.870 . 4.870 4.831 4.587 4.882 0.012 17 0 "[ . 1 . 2]" 1
413 1 44 ALA MB 1 45 MET H 3.520 . 3.520 2.546 2.371 2.725 . 0 0 "[ . 1 . 2]" 1
414 1 44 ALA MB 1 45 MET HA 4.800 . 4.800 4.152 4.108 4.217 . 0 0 "[ . 1 . 2]" 1
415 1 44 ALA MB 1 45 MET ME 3.730 . 3.730 3.839 3.777 3.921 0.191 18 0 "[ . 1 . 2]" 1
416 1 44 ALA MB 1 45 MET HG2 5.210 . 5.210 4.663 4.524 4.797 . 0 0 "[ . 1 . 2]" 1
417 1 44 ALA MB 1 70 ASN HA 4.360 . 4.360 3.979 3.719 4.239 . 0 0 "[ . 1 . 2]" 1
418 1 44 ALA MB 1 70 ASN HB2 4.240 . 4.240 3.976 3.508 4.273 0.033 8 0 "[ . 1 . 2]" 1
419 1 44 ALA MB 1 70 ASN QB 3.690 . 3.690 2.695 2.232 3.091 . 0 0 "[ . 1 . 2]" 1
420 1 44 ALA MB 1 70 ASN HB3 4.240 . 4.240 2.744 2.257 3.180 . 0 0 "[ . 1 . 2]" 1
421 1 44 ALA MB 1 70 ASN QD 3.970 . 3.970 2.962 1.776 4.066 0.096 18 0 "[ . 1 . 2]" 1
422 1 44 ALA MB 1 71 GLN HA 3.820 . 3.820 3.861 3.826 3.919 0.099 18 0 "[ . 1 . 2]" 1
423 1 44 ALA MB 1 71 GLN HB3 4.680 . 4.680 4.284 4.177 4.361 . 0 0 "[ . 1 . 2]" 1
424 1 44 ALA MB 1 71 GLN HG2 3.350 . 3.350 2.214 2.131 2.295 . 0 0 "[ . 1 . 2]" 1
425 1 44 ALA MB 1 71 GLN HG3 3.040 . 3.040 2.460 2.314 2.666 . 0 0 "[ . 1 . 2]" 1
426 1 45 MET H 1 45 MET HB2 3.660 . 3.660 2.625 2.595 2.694 . 0 0 "[ . 1 . 2]" 1
427 1 45 MET H 1 45 MET ME 4.020 . 4.020 3.121 3.038 3.280 . 0 0 "[ . 1 . 2]" 1
428 1 45 MET H 1 45 MET HG2 3.680 . 3.680 2.696 2.573 2.789 . 0 0 "[ . 1 . 2]" 1
429 1 45 MET H 1 70 ASN QB 4.990 . 4.990 4.589 4.004 5.007 0.017 9 0 "[ . 1 . 2]" 1
430 1 45 MET HA 1 45 MET ME 3.420 . 3.420 3.380 3.290 3.431 0.011 19 0 "[ . 1 . 2]" 1
431 1 45 MET HA 1 45 MET HG2 3.660 . 3.660 3.385 3.348 3.429 . 0 0 "[ . 1 . 2]" 1
432 1 45 MET HA 1 45 MET HG3 4.190 . 4.190 3.670 3.650 3.706 . 0 0 "[ . 1 . 2]" 1
433 1 45 MET HA 1 46 SER H 3.210 . 3.210 2.275 2.220 2.374 . 0 0 "[ . 1 . 2]" 1
434 1 45 MET HA 1 47 ARG H 5.500 . 5.500 5.281 5.241 5.323 . 0 0 "[ . 1 . 2]" 1
435 1 45 MET HB2 1 46 SER H 4.230 . 4.230 3.623 3.545 3.691 . 0 0 "[ . 1 . 2]" 1
436 1 45 MET HB2 1 47 ARG H 4.710 . 4.710 4.516 4.417 4.674 . 0 0 "[ . 1 . 2]" 1
437 1 45 MET HB2 1 48 PRO HA 4.550 . 4.550 4.493 4.332 4.558 0.008 18 0 "[ . 1 . 2]" 1
438 1 45 MET HB3 1 46 SER H 3.450 . 3.450 2.485 2.419 2.541 . 0 0 "[ . 1 . 2]" 1
439 1 45 MET HB3 1 46 SER HA 5.500 . 5.500 4.723 4.684 4.763 . 0 0 "[ . 1 . 2]" 1
440 1 45 MET HB3 1 127 THR HB 5.220 . 5.220 4.639 4.303 4.922 . 0 0 "[ . 1 . 2]" 1
441 1 45 MET HB3 1 127 THR MG 4.600 . 4.600 3.894 3.554 4.411 . 0 0 "[ . 1 . 2]" 1
442 1 45 MET ME 1 45 MET HG3 3.270 . 3.270 2.930 2.837 2.997 . 0 0 "[ . 1 . 2]" 1
443 1 45 MET ME 1 46 SER H 5.390 . 5.390 5.180 5.093 5.248 . 0 0 "[ . 1 . 2]" 1
444 1 45 MET ME 1 71 GLN HA 4.140 . 4.140 3.966 3.768 4.125 . 0 0 "[ . 1 . 2]" 1
445 1 45 MET ME 1 72 VAL H 5.100 . 5.100 4.668 4.377 4.817 . 0 0 "[ . 1 . 2]" 1
446 1 45 MET ME 1 72 VAL MG1 5.280 . 5.280 5.032 4.959 5.093 . 0 0 "[ . 1 . 2]" 1
447 1 45 MET ME 1 72 VAL MG2 4.110 . 4.110 3.874 3.558 4.026 . 0 0 "[ . 1 . 2]" 1
448 1 45 MET ME 1 124 MET HA 3.630 . 3.630 3.634 3.499 3.666 0.036 16 0 "[ . 1 . 2]" 1
449 1 45 MET ME 1 124 MET HG2 4.010 . 4.010 3.950 3.870 4.013 0.003 16 0 "[ . 1 . 2]" 1
450 1 45 MET ME 1 127 THR H 4.940 . 4.940 4.540 4.401 4.677 . 0 0 "[ . 1 . 2]" 1
451 1 45 MET ME 1 127 THR HB 3.310 . 3.310 2.764 2.628 2.975 . 0 0 "[ . 1 . 2]" 1
452 1 45 MET ME 1 127 THR MG 3.200 . 3.200 3.046 2.937 3.227 0.027 10 0 "[ . 1 . 2]" 1
453 1 45 MET ME 1 128 GLN H 4.170 . 4.170 3.283 3.151 3.551 . 0 0 "[ . 1 . 2]" 1
454 1 45 MET ME 1 128 GLN HA 3.880 . 3.880 3.405 3.186 3.710 . 0 0 "[ . 1 . 2]" 1
455 1 45 MET ME 1 131 ARG HD2 3.760 . 3.760 2.401 2.105 3.072 . 0 0 "[ . 1 . 2]" 1
456 1 45 MET ME 1 131 ARG HD3 4.030 . 4.030 3.121 2.608 3.592 . 0 0 "[ . 1 . 2]" 1
457 1 45 MET HG2 1 72 VAL MG1 5.500 . 5.500 5.515 5.503 5.540 0.040 20 0 "[ . 1 . 2]" 1
458 1 45 MET HG2 1 124 MET HG2 4.060 . 4.060 2.333 2.248 2.385 . 0 0 "[ . 1 . 2]" 1
459 1 45 MET HG2 1 127 THR HB 4.320 . 4.320 3.696 3.597 3.922 . 0 0 "[ . 1 . 2]" 1
460 1 45 MET HG2 1 127 THR MG 5.500 . 5.500 4.232 4.066 4.466 . 0 0 "[ . 1 . 2]" 1
461 1 45 MET HG3 1 46 SER H 4.650 . 4.650 4.663 4.654 4.672 0.022 16 0 "[ . 1 . 2]" 1
462 1 45 MET HG3 1 124 MET HB3 3.900 . 3.900 3.867 3.710 3.906 0.006 8 0 "[ . 1 . 2]" 1
463 1 45 MET HG3 1 127 THR HB 4.100 . 4.100 2.695 2.438 3.018 . 0 0 "[ . 1 . 2]" 1
464 1 45 MET HG3 1 127 THR MG 4.350 . 4.350 3.235 2.995 3.649 . 0 0 "[ . 1 . 2]" 1
465 1 46 SER H 1 46 SER QB 3.220 . 3.220 2.486 2.297 2.781 . 0 0 "[ . 1 . 2]" 1
466 1 46 SER H 1 47 ARG H 4.220 . 4.220 4.138 4.103 4.183 . 0 0 "[ . 1 . 2]" 1
467 1 46 SER HA 1 46 SER QB 2.510 . 2.510 2.329 2.197 2.396 . 0 0 "[ . 1 . 2]" 1
468 1 46 SER HA 1 47 ARG H 3.130 . 3.130 2.186 2.158 2.201 . 0 0 "[ . 1 . 2]" 1
469 1 46 SER HA 1 47 ARG HG2 5.500 . 5.500 4.480 4.011 4.808 . 0 0 "[ . 1 . 2]" 1
470 1 46 SER QB 1 47 ARG H 4.400 . 4.400 3.761 3.691 4.004 . 0 0 "[ . 1 . 2]" 1
471 1 47 ARG H 1 47 ARG QD 4.370 . 4.370 3.849 3.026 4.309 . 0 0 "[ . 1 . 2]" 1
472 1 47 ARG HA 1 47 ARG HD2 4.030 . 4.030 3.196 2.017 3.833 . 0 0 "[ . 1 . 2]" 1
473 1 47 ARG HA 1 47 ARG QD 3.520 . 3.520 2.072 1.927 3.198 . 0 0 "[ . 1 . 2]" 1
474 1 47 ARG HA 1 47 ARG HD3 4.030 . 4.030 2.259 1.945 3.599 . 0 0 "[ . 1 . 2]" 1
475 1 47 ARG HA 1 48 PRO HD2 3.660 . 3.660 2.021 1.917 2.076 . 0 0 "[ . 1 . 2]" 1
476 1 47 ARG HA 1 48 PRO HG2 4.290 . 4.290 4.054 3.923 4.128 . 0 0 "[ . 1 . 2]" 1
477 1 47 ARG HA 1 49 ILE MD 4.970 . 4.970 3.961 3.845 4.080 . 0 0 "[ . 1 . 2]" 1
478 1 47 ARG HB3 1 49 ILE MD 3.280 . 3.280 2.186 2.056 2.419 . 0 0 "[ . 1 . 2]" 1
479 1 47 ARG QD 1 49 ILE MD 4.390 . 4.390 2.758 2.097 3.790 . 0 0 "[ . 1 . 2]" 1
480 1 47 ARG QD 1 65 MET HG2 4.300 . 4.300 2.609 2.387 2.964 . 0 0 "[ . 1 . 2]" 1
481 1 47 ARG QD 1 65 MET HG3 3.570 . 3.570 3.247 2.776 3.571 0.001 1 0 "[ . 1 . 2]" 1
482 1 47 ARG HG2 1 49 ILE MD 5.500 . 5.500 4.586 4.436 4.781 . 0 0 "[ . 1 . 2]" 1
483 1 47 ARG HG3 1 49 ILE MD 3.740 . 3.740 3.752 3.657 3.790 0.050 19 0 "[ . 1 . 2]" 1
484 1 48 PRO HA 1 49 ILE HA 4.500 . 4.500 4.457 4.432 4.479 . 0 0 "[ . 1 . 2]" 1
485 1 48 PRO HA 1 49 ILE HB 5.190 . 5.190 4.642 4.594 4.707 . 0 0 "[ . 1 . 2]" 1
486 1 48 PRO HA 1 49 ILE MD 4.250 . 4.250 4.294 4.256 4.335 0.085 18 0 "[ . 1 . 2]" 1
487 1 48 PRO HA 1 49 ILE HG12 4.350 . 4.350 3.691 3.645 3.791 . 0 0 "[ . 1 . 2]" 1
488 1 48 PRO HA 1 49 ILE HG13 5.500 . 5.500 5.410 5.365 5.503 0.003 5 0 "[ . 1 . 2]" 1
489 1 48 PRO HA 1 50 ILE MD 4.590 . 4.590 4.578 4.501 4.608 0.018 3 0 "[ . 1 . 2]" 1
490 1 48 PRO HA 1 120 VAL MG1 4.590 . 4.590 4.569 4.511 4.610 0.020 18 0 "[ . 1 . 2]" 1
491 1 48 PRO HA 1 120 VAL MG2 4.890 . 4.890 4.934 4.907 4.979 0.089 18 0 "[ . 1 . 2]" 1
492 1 48 PRO HA 1 123 GLN HB2 5.100 . 5.100 4.824 4.692 4.967 . 0 0 "[ . 1 . 2]" 1
493 1 48 PRO HA 1 123 GLN HB3 4.870 . 4.870 4.384 4.221 4.615 . 0 0 "[ . 1 . 2]" 1
494 1 48 PRO HA 1 124 MET HG2 5.080 . 5.080 4.919 4.733 5.081 0.001 6 0 "[ . 1 . 2]" 1
495 1 48 PRO HB2 1 49 ILE MD 4.970 . 4.970 4.920 4.857 4.970 0.000 13 0 "[ . 1 . 2]" 1
496 1 48 PRO HB2 1 50 ILE MD 3.310 . 3.310 3.241 3.131 3.280 . 0 0 "[ . 1 . 2]" 1
497 1 48 PRO HB2 1 50 ILE HG12 5.250 . 5.250 4.860 4.765 4.930 . 0 0 "[ . 1 . 2]" 1
498 1 48 PRO HB2 1 65 MET ME 3.110 . 3.110 3.164 3.127 3.198 0.088 18 0 "[ . 1 . 2]" 1
499 1 48 PRO HB2 1 120 VAL MG2 3.070 . 3.070 2.898 2.820 2.937 . 0 0 "[ . 1 . 2]" 1
500 1 48 PRO HB2 1 124 MET H 5.040 . 5.040 4.590 4.445 4.846 . 0 0 "[ . 1 . 2]" 1
501 1 48 PRO HB2 1 124 MET ME 3.420 . 3.420 3.467 3.426 3.508 0.088 13 0 "[ . 1 . 2]" 1
502 1 48 PRO HB2 1 124 MET HG3 3.820 . 3.820 3.360 3.290 3.402 . 0 0 "[ . 1 . 2]" 1
503 1 48 PRO HB3 1 50 ILE MD 4.550 . 4.550 4.530 4.417 4.566 0.016 13 0 "[ . 1 . 2]" 1
504 1 48 PRO HB3 1 120 VAL HA 4.460 . 4.460 4.366 4.260 4.463 0.003 14 0 "[ . 1 . 2]" 1
505 1 48 PRO HB3 1 120 VAL MG1 3.220 . 3.220 3.170 3.098 3.218 . 0 0 "[ . 1 . 2]" 1
506 1 48 PRO HB3 1 124 MET HG3 3.390 . 3.390 2.339 2.189 2.501 . 0 0 "[ . 1 . 2]" 1
507 1 48 PRO HD2 1 49 ILE MD 4.520 . 4.520 4.554 4.530 4.593 0.073 18 0 "[ . 1 . 2]" 1
508 1 48 PRO HD2 1 65 MET ME 5.000 . 5.000 3.513 3.420 3.644 . 0 0 "[ . 1 . 2]" 1
509 1 48 PRO HD2 1 65 MET HG2 5.470 . 5.470 4.497 4.281 4.678 . 0 0 "[ . 1 . 2]" 1
510 1 48 PRO HD2 1 65 MET HG3 4.880 . 4.880 4.724 4.517 4.883 0.003 19 0 "[ . 1 . 2]" 1
511 1 48 PRO HD2 1 120 VAL MG1 4.250 . 4.250 4.033 3.944 4.101 . 0 0 "[ . 1 . 2]" 1
512 1 48 PRO HD3 1 120 VAL MG1 4.680 . 4.680 4.306 4.242 4.361 . 0 0 "[ . 1 . 2]" 1
513 1 48 PRO HD3 1 124 MET ME 3.860 . 3.860 3.885 3.862 3.930 0.070 18 0 "[ . 1 . 2]" 1
514 1 48 PRO HD3 1 124 MET HG2 4.280 . 4.280 3.543 3.318 3.741 . 0 0 "[ . 1 . 2]" 1
515 1 48 PRO HD3 1 124 MET HG3 4.240 . 4.240 3.911 3.633 4.173 . 0 0 "[ . 1 . 2]" 1
516 1 48 PRO HG2 1 49 ILE MD 4.790 . 4.790 4.613 4.544 4.692 . 0 0 "[ . 1 . 2]" 1
517 1 48 PRO HG2 1 50 ILE MD 4.790 . 4.790 4.800 4.723 4.815 0.025 10 0 "[ . 1 . 2]" 1
518 1 48 PRO HG2 1 120 VAL MG1 3.500 . 3.500 2.234 2.160 2.320 . 0 0 "[ . 1 . 2]" 1
519 1 48 PRO HG3 1 120 VAL MG1 4.020 . 4.020 2.466 2.388 2.551 . 0 0 "[ . 1 . 2]" 1
520 1 48 PRO HG3 1 124 MET ME 2.540 . 2.540 2.172 2.058 2.268 . 0 0 "[ . 1 . 2]" 1
521 1 48 PRO HG3 1 124 MET HG3 3.080 . 3.080 2.605 2.332 2.882 . 0 0 "[ . 1 . 2]" 1
522 1 49 ILE HA 1 49 ILE MD 3.080 . 3.080 2.096 2.055 2.190 . 0 0 "[ . 1 . 2]" 1
523 1 49 ILE HA 1 49 ILE HG12 3.380 . 3.380 3.252 3.230 3.282 . 0 0 "[ . 1 . 2]" 1
524 1 49 ILE HA 1 49 ILE HG13 3.900 . 3.900 3.827 3.797 3.846 . 0 0 "[ . 1 . 2]" 1
525 1 49 ILE HA 1 49 ILE MG 2.980 . 2.980 2.288 2.267 2.314 . 0 0 "[ . 1 . 2]" 1
526 1 49 ILE HA 1 50 ILE MD 3.670 . 3.670 3.599 3.569 3.619 . 0 0 "[ . 1 . 2]" 1
527 1 49 ILE HA 1 50 ILE HG12 4.200 . 4.200 3.583 3.563 3.614 . 0 0 "[ . 1 . 2]" 1
528 1 49 ILE HA 1 61 TYR HD2 4.230 . 4.230 4.133 4.105 4.172 . 0 0 "[ . 1 . 2]" 1
529 1 49 ILE HA 1 61 TYR HE2 3.190 . 3.190 2.043 2.014 2.078 . 0 0 "[ . 1 . 2]" 1
530 1 49 ILE HA 1 65 MET ME 3.510 . 3.510 3.341 3.296 3.383 . 0 0 "[ . 1 . 2]" 1
531 1 49 ILE HA 1 120 VAL HA 5.500 . 5.500 5.479 5.436 5.503 0.003 20 0 "[ . 1 . 2]" 1
532 1 49 ILE HA 1 120 VAL MG2 3.860 . 3.860 3.624 3.602 3.668 . 0 0 "[ . 1 . 2]" 1
533 1 49 ILE HB 1 49 ILE MD 3.510 . 3.510 3.312 3.286 3.326 . 0 0 "[ . 1 . 2]" 1
534 1 49 ILE HB 1 61 TYR HE2 4.910 . 4.910 4.917 4.910 4.932 0.022 18 0 "[ . 1 . 2]" 1
535 1 49 ILE MD 1 49 ILE MG 2.460 . 2.460 2.356 2.324 2.383 . 0 0 "[ . 1 . 2]" 1
536 1 49 ILE MD 1 61 TYR HD2 4.610 . 4.610 4.642 4.620 4.672 0.062 18 0 "[ . 1 . 2]" 1
537 1 49 ILE MD 1 61 TYR HE2 3.490 . 3.490 2.472 2.390 2.594 . 0 0 "[ . 1 . 2]" 1
538 1 49 ILE MD 1 65 MET ME 3.250 . 3.250 2.928 2.826 3.046 . 0 0 "[ . 1 . 2]" 1
539 1 49 ILE MD 1 65 MET HG2 4.580 . 4.580 3.913 3.739 4.205 . 0 0 "[ . 1 . 2]" 1
540 1 49 ILE HG12 1 49 ILE MG 3.220 . 3.220 3.226 3.221 3.231 0.011 3 0 "[ . 1 . 2]" 1
541 1 49 ILE HG12 1 61 TYR HE2 4.820 . 4.820 4.815 4.790 4.823 0.003 5 0 "[ . 1 . 2]" 1
542 1 49 ILE HG13 1 49 ILE MG 2.910 . 2.910 2.297 2.285 2.311 . 0 0 "[ . 1 . 2]" 1
543 1 49 ILE HG13 1 61 TYR HE2 5.120 . 5.120 5.106 5.036 5.130 0.010 18 0 "[ . 1 . 2]" 1
544 1 49 ILE MG 1 50 ILE HA 3.980 . 3.980 3.717 3.675 3.783 . 0 0 "[ . 1 . 2]" 1
545 1 49 ILE MG 1 50 ILE MD 4.280 . 4.280 4.272 4.237 4.297 0.017 19 0 "[ . 1 . 2]" 1
546 1 49 ILE MG 1 51 HIS H 5.490 . 5.490 4.710 4.615 4.794 . 0 0 "[ . 1 . 2]" 1
547 1 49 ILE MG 1 51 HIS HD2 4.360 . 4.360 3.662 2.556 4.370 0.010 8 0 "[ . 1 . 2]" 1
548 1 49 ILE MG 1 61 TYR HD2 4.680 . 4.680 4.750 4.701 4.806 0.126 18 0 "[ . 1 . 2]" 1
549 1 49 ILE MG 1 61 TYR HE2 3.500 . 3.500 2.918 2.868 2.953 . 0 0 "[ . 1 . 2]" 1
550 1 49 ILE MG 1 65 MET ME 4.450 . 4.450 4.501 4.464 4.531 0.081 20 0 "[ . 1 . 2]" 1
551 1 50 ILE HA 1 50 ILE MD 3.010 . 3.010 2.088 2.068 2.122 . 0 0 "[ . 1 . 2]" 1
552 1 50 ILE HA 1 50 ILE HG12 3.570 . 3.570 3.437 3.419 3.457 . 0 0 "[ . 1 . 2]" 1
553 1 50 ILE HA 1 50 ILE HG13 3.920 . 3.920 3.884 3.863 3.896 . 0 0 "[ . 1 . 2]" 1
554 1 50 ILE HA 1 50 ILE MG 3.040 . 3.040 2.257 2.238 2.267 . 0 0 "[ . 1 . 2]" 1
555 1 50 ILE HA 1 51 HIS H 3.190 . 3.190 2.386 2.352 2.414 . 0 0 "[ . 1 . 2]" 1
556 1 50 ILE HA 1 51 HIS HA 5.070 . 5.070 4.404 4.342 4.440 . 0 0 "[ . 1 . 2]" 1
557 1 50 ILE HA 1 51 HIS HB2 4.370 . 4.370 4.036 3.878 4.124 . 0 0 "[ . 1 . 2]" 1
558 1 50 ILE HA 1 51 HIS HD2 4.510 . 4.510 4.003 3.311 4.509 . 0 0 "[ . 1 . 2]" 1
559 1 50 ILE HA 1 61 TYR HE2 5.500 . 5.500 5.481 5.438 5.509 0.009 16 0 "[ . 1 . 2]" 1
560 1 50 ILE HA 1 120 VAL MG2 4.730 . 4.730 4.746 4.730 4.768 0.038 18 0 "[ . 1 . 2]" 1
561 1 50 ILE HA 1 123 GLN HE22 4.620 . 4.620 4.105 4.023 4.227 . 0 0 "[ . 1 . 2]" 1
562 1 50 ILE HB 1 50 ILE MD 3.620 . 3.620 3.257 3.249 3.265 . 0 0 "[ . 1 . 2]" 1
563 1 50 ILE HB 1 52 PHE HE2 4.150 . 4.150 2.863 2.834 2.921 . 0 0 "[ . 1 . 2]" 1
564 1 50 ILE HB 1 52 PHE HZ 4.330 . 4.330 2.870 2.833 2.976 . 0 0 "[ . 1 . 2]" 1
565 1 50 ILE HB 1 61 TYR QB 4.790 . 4.790 4.283 4.241 4.345 . 0 0 "[ . 1 . 2]" 1
566 1 50 ILE HB 1 61 TYR HD2 4.580 . 4.580 4.178 4.126 4.231 . 0 0 "[ . 1 . 2]" 1
567 1 50 ILE HB 1 116 MET HB3 5.500 . 5.500 5.410 5.358 5.462 . 0 0 "[ . 1 . 2]" 1
568 1 50 ILE HB 1 116 MET ME 5.250 . 5.250 5.234 5.202 5.258 0.008 17 0 "[ . 1 . 2]" 1
569 1 50 ILE HB 1 119 ARG HB3 5.500 . 5.500 5.233 5.196 5.271 . 0 0 "[ . 1 . 2]" 1
570 1 50 ILE HB 1 119 ARG HG3 4.470 . 4.470 4.294 4.234 4.333 . 0 0 "[ . 1 . 2]" 1
571 1 50 ILE HB 1 120 VAL MG2 4.410 . 4.410 3.894 3.872 3.913 . 0 0 "[ . 1 . 2]" 1
572 1 50 ILE MD 1 50 ILE MG 2.720 . 2.720 2.174 2.154 2.202 . 0 0 "[ . 1 . 2]" 1
573 1 50 ILE MD 1 51 HIS H 4.090 . 4.090 3.884 3.849 3.962 . 0 0 "[ . 1 . 2]" 1
574 1 50 ILE MD 1 51 HIS HB2 5.400 . 5.400 5.487 5.434 5.570 0.170 4 0 "[ . 1 . 2]" 1
575 1 50 ILE MD 1 52 PHE HZ 4.290 . 4.290 4.253 4.225 4.271 . 0 0 "[ . 1 . 2]" 1
576 1 50 ILE MD 1 61 TYR HE2 4.470 . 4.470 4.361 4.321 4.386 . 0 0 "[ . 1 . 2]" 1
577 1 50 ILE MD 1 65 MET ME 4.360 . 4.360 3.991 3.949 4.062 . 0 0 "[ . 1 . 2]" 1
578 1 50 ILE MD 1 116 MET HA 5.110 . 5.110 5.135 5.120 5.155 0.045 4 0 "[ . 1 . 2]" 1
579 1 50 ILE MD 1 119 ARG H 4.550 . 4.550 4.514 4.494 4.540 . 0 0 "[ . 1 . 2]" 1
580 1 50 ILE MD 1 119 ARG HA 4.150 . 4.150 3.849 3.828 3.873 . 0 0 "[ . 1 . 2]" 1
581 1 50 ILE MD 1 119 ARG HB2 3.100 . 3.100 2.145 2.129 2.167 . 0 0 "[ . 1 . 2]" 1
582 1 50 ILE MD 1 119 ARG HB3 3.360 . 3.360 3.244 3.200 3.296 . 0 0 "[ . 1 . 2]" 1
583 1 50 ILE MD 1 119 ARG HG2 4.280 . 4.280 4.171 4.148 4.189 . 0 0 "[ . 1 . 2]" 1
584 1 50 ILE MD 1 119 ARG HG3 4.270 . 4.270 4.107 4.083 4.129 . 0 0 "[ . 1 . 2]" 1
585 1 50 ILE MD 1 120 VAL H 4.550 . 4.550 3.136 3.107 3.160 . 0 0 "[ . 1 . 2]" 1
586 1 50 ILE MD 1 120 VAL HA 3.060 . 3.060 1.984 1.934 2.022 . 0 0 "[ . 1 . 2]" 1
587 1 50 ILE MD 1 120 VAL HB 4.020 . 4.020 4.015 3.979 4.043 0.023 4 0 "[ . 1 . 2]" 1
588 1 50 ILE MD 1 120 VAL MG1 3.610 . 3.610 3.534 3.441 3.582 . 0 0 "[ . 1 . 2]" 1
589 1 50 ILE MD 1 120 VAL MG2 2.890 . 2.890 2.221 2.173 2.267 . 0 0 "[ . 1 . 2]" 1
590 1 50 ILE MD 1 123 GLN HB2 3.920 . 3.920 2.870 2.824 2.914 . 0 0 "[ . 1 . 2]" 1
591 1 50 ILE MD 1 123 GLN HB3 3.650 . 3.650 3.628 3.583 3.662 0.012 4 0 "[ . 1 . 2]" 1
592 1 50 ILE MD 1 123 GLN HE21 4.420 . 4.420 2.270 2.180 2.354 . 0 0 "[ . 1 . 2]" 1
593 1 50 ILE MD 1 123 GLN HE22 4.220 . 4.220 3.560 3.482 3.741 . 0 0 "[ . 1 . 2]" 1
594 1 50 ILE MD 1 123 GLN HG2 3.620 . 3.620 3.295 3.222 3.343 . 0 0 "[ . 1 . 2]" 1
595 1 50 ILE MD 1 123 GLN HG3 3.080 . 3.080 1.948 1.941 1.967 . 0 0 "[ . 1 . 2]" 1
596 1 50 ILE MD 1 124 MET ME 4.840 . 4.840 5.017 4.926 5.040 0.200 6 0 "[ . 1 . 2]" 1
597 1 50 ILE MD 1 126 ILE MD 5.500 . 5.500 5.548 5.506 5.588 0.088 4 0 "[ . 1 . 2]" 1
598 1 50 ILE HG12 1 50 ILE MG 3.290 . 3.290 3.209 3.199 3.216 . 0 0 "[ . 1 . 2]" 1
599 1 50 ILE HG12 1 51 HIS H 5.500 . 5.500 4.974 4.919 5.026 . 0 0 "[ . 1 . 2]" 1
600 1 50 ILE HG12 1 52 PHE HE2 4.170 . 4.170 3.909 3.879 3.940 . 0 0 "[ . 1 . 2]" 1
601 1 50 ILE HG12 1 52 PHE HZ 4.820 . 4.820 3.748 3.704 3.800 . 0 0 "[ . 1 . 2]" 1
602 1 50 ILE HG12 1 61 TYR HD2 4.130 . 4.130 3.027 2.977 3.083 . 0 0 "[ . 1 . 2]" 1
603 1 50 ILE HG12 1 61 TYR HE2 3.790 . 3.790 3.523 3.495 3.567 . 0 0 "[ . 1 . 2]" 1
604 1 50 ILE HG12 1 65 MET ME 4.060 . 4.060 3.952 3.901 4.007 . 0 0 "[ . 1 . 2]" 1
605 1 50 ILE HG12 1 116 MET HB3 4.860 . 4.860 4.845 4.814 4.865 0.005 4 0 "[ . 1 . 2]" 1
606 1 50 ILE HG12 1 119 ARG HB2 4.470 . 4.470 3.747 3.701 3.787 . 0 0 "[ . 1 . 2]" 1
607 1 50 ILE HG12 1 119 ARG HG2 5.010 . 5.010 5.017 5.011 5.035 0.025 18 0 "[ . 1 . 2]" 1
608 1 50 ILE HG12 1 119 ARG HG3 5.240 . 5.240 5.062 4.995 5.085 . 0 0 "[ . 1 . 2]" 1
609 1 50 ILE HG12 1 120 VAL HA 4.720 . 4.720 3.632 3.605 3.668 . 0 0 "[ . 1 . 2]" 1
610 1 50 ILE HG12 1 120 VAL HB 4.640 . 4.640 4.644 4.635 4.651 0.011 13 0 "[ . 1 . 2]" 1
611 1 50 ILE HG12 1 120 VAL MG1 4.710 . 4.710 4.439 4.394 4.477 . 0 0 "[ . 1 . 2]" 1
612 1 50 ILE HG12 1 120 VAL MG2 3.520 . 3.520 2.095 2.083 2.109 . 0 0 "[ . 1 . 2]" 1
613 1 50 ILE HG13 1 50 ILE MG 3.190 . 3.190 2.267 2.248 2.285 . 0 0 "[ . 1 . 2]" 1
614 1 50 ILE HG13 1 52 PHE HE1 4.720 . 4.720 4.171 4.108 4.228 . 0 0 "[ . 1 . 2]" 1
615 1 50 ILE HG13 1 52 PHE HE2 4.290 . 4.290 3.946 3.864 3.980 . 0 0 "[ . 1 . 2]" 1
616 1 50 ILE HG13 1 52 PHE HZ 4.970 . 4.970 2.666 2.627 2.702 . 0 0 "[ . 1 . 2]" 1
617 1 50 ILE HG13 1 61 TYR QB 5.080 . 5.080 4.618 4.561 4.661 . 0 0 "[ . 1 . 2]" 1
618 1 50 ILE HG13 1 61 TYR HD2 4.360 . 4.360 4.152 4.094 4.203 . 0 0 "[ . 1 . 2]" 1
619 1 50 ILE HG13 1 116 MET HA 3.800 . 3.800 3.833 3.808 3.876 0.076 18 0 "[ . 1 . 2]" 1
620 1 50 ILE HG13 1 116 MET HB3 4.620 . 4.620 4.610 4.576 4.623 0.003 4 0 "[ . 1 . 2]" 1
621 1 50 ILE HG13 1 119 ARG HA 4.930 . 4.930 4.872 4.844 4.907 . 0 0 "[ . 1 . 2]" 1
622 1 50 ILE HG13 1 119 ARG HB3 3.840 . 3.840 3.756 3.709 3.801 . 0 0 "[ . 1 . 2]" 1
623 1 50 ILE HG13 1 119 ARG HG2 4.110 . 4.110 3.329 3.318 3.356 . 0 0 "[ . 1 . 2]" 1
624 1 50 ILE HG13 1 119 ARG HG3 4.020 . 4.020 3.388 3.322 3.408 . 0 0 "[ . 1 . 2]" 1
625 1 50 ILE HG13 1 120 VAL H 4.330 . 4.330 3.204 3.151 3.258 . 0 0 "[ . 1 . 2]" 1
626 1 50 ILE HG13 1 120 VAL HA 3.650 . 3.650 3.557 3.520 3.595 . 0 0 "[ . 1 . 2]" 1
627 1 50 ILE HG13 1 120 VAL HB 4.380 . 4.380 4.388 4.382 4.408 0.028 18 0 "[ . 1 . 2]" 1
628 1 50 ILE HG13 1 120 VAL MG2 3.160 . 3.160 2.276 2.254 2.300 . 0 0 "[ . 1 . 2]" 1
629 1 50 ILE HG13 1 123 GLN HG3 4.330 . 4.330 4.360 4.338 4.395 0.065 18 0 "[ . 1 . 2]" 1
630 1 50 ILE MG 1 51 HIS HA 4.150 . 4.150 4.108 4.061 4.139 . 0 0 "[ . 1 . 2]" 1
631 1 50 ILE MG 1 51 HIS HB2 4.340 . 4.340 3.787 3.685 3.880 . 0 0 "[ . 1 . 2]" 1
632 1 50 ILE MG 1 52 PHE HA 4.360 . 4.360 4.160 4.117 4.194 . 0 0 "[ . 1 . 2]" 1
633 1 50 ILE MG 1 52 PHE HD1 3.860 . 3.860 3.391 3.295 3.463 . 0 0 "[ . 1 . 2]" 1
634 1 50 ILE MG 1 52 PHE HE1 3.500 . 3.500 2.440 2.405 2.471 . 0 0 "[ . 1 . 2]" 1
635 1 50 ILE MG 1 52 PHE HZ 3.790 . 3.790 2.711 2.649 2.742 . 0 0 "[ . 1 . 2]" 1
636 1 50 ILE MG 1 61 TYR HD2 5.500 . 5.500 5.317 5.277 5.358 . 0 0 "[ . 1 . 2]" 1
637 1 50 ILE MG 1 116 MET HA 4.430 . 4.430 4.447 4.436 4.472 0.042 18 0 "[ . 1 . 2]" 1
638 1 50 ILE MG 1 119 ARG HA 5.040 . 5.040 4.385 4.362 4.409 . 0 0 "[ . 1 . 2]" 1
639 1 50 ILE MG 1 119 ARG HB2 3.510 . 3.510 2.163 2.146 2.183 . 0 0 "[ . 1 . 2]" 1
640 1 50 ILE MG 1 119 ARG HB3 3.440 . 3.440 2.648 2.628 2.677 . 0 0 "[ . 1 . 2]" 1
641 1 50 ILE MG 1 119 ARG HD2 4.170 . 4.170 4.050 4.015 4.094 . 0 0 "[ . 1 . 2]" 1
642 1 50 ILE MG 1 119 ARG HD3 4.700 . 4.700 4.712 4.702 4.742 0.042 18 0 "[ . 1 . 2]" 1
643 1 50 ILE MG 1 119 ARG HG3 3.400 . 3.400 2.187 2.164 2.206 . 0 0 "[ . 1 . 2]" 1
644 1 50 ILE MG 1 120 VAL HA 4.860 . 4.860 4.660 4.612 4.694 . 0 0 "[ . 1 . 2]" 1
645 1 50 ILE MG 1 120 VAL MG2 4.020 . 4.020 3.948 3.929 3.962 . 0 0 "[ . 1 . 2]" 1
646 1 50 ILE MG 1 123 GLN HB2 5.360 . 5.360 5.338 5.255 5.382 0.022 20 0 "[ . 1 . 2]" 1
647 1 50 ILE MG 1 123 GLN HG3 3.960 . 3.960 3.611 3.515 3.663 . 0 0 "[ . 1 . 2]" 1
648 1 51 HIS H 1 51 HIS HB2 3.580 . 3.580 2.348 2.296 2.405 . 0 0 "[ . 1 . 2]" 1
649 1 51 HIS H 1 51 HIS HB3 3.740 . 3.740 3.595 3.492 3.649 . 0 0 "[ . 1 . 2]" 1
650 1 51 HIS H 1 52 PHE HE1 5.160 . 5.160 4.932 4.836 5.000 . 0 0 "[ . 1 . 2]" 1
651 1 51 HIS H 1 52 PHE HZ 5.500 . 5.500 5.491 5.392 5.516 0.016 18 0 "[ . 1 . 2]" 1
652 1 51 HIS HA 1 52 PHE HD1 5.500 . 5.500 5.518 5.507 5.533 0.033 18 0 "[ . 1 . 2]" 1
653 1 51 HIS HA 1 52 PHE HD2 5.500 . 5.500 4.999 4.771 5.347 . 0 0 "[ . 1 . 2]" 1
654 1 51 HIS HB2 1 51 HIS HD2 3.830 . 3.830 3.041 2.703 3.787 . 0 0 "[ . 1 . 2]" 1
655 1 52 PHE HA 1 52 PHE HD1 3.310 . 3.310 2.130 2.087 2.164 . 0 0 "[ . 1 . 2]" 1
656 1 52 PHE HB2 1 52 PHE HD2 3.430 . 3.430 2.352 2.343 2.363 . 0 0 "[ . 1 . 2]" 1
657 1 52 PHE HB2 1 52 PHE HE2 4.840 . 4.840 4.677 4.664 4.694 . 0 0 "[ . 1 . 2]" 1
658 1 52 PHE HB2 1 53 GLY HA2 5.050 . 5.050 4.921 4.860 4.966 . 0 0 "[ . 1 . 2]" 1
659 1 52 PHE HB2 1 53 GLY HA3 5.050 . 5.050 5.054 5.049 5.063 0.013 4 0 "[ . 1 . 2]" 1
660 1 52 PHE HB2 1 57 GLU HA 5.330 . 5.330 5.049 4.983 5.125 . 0 0 "[ . 1 . 2]" 1
661 1 52 PHE HB2 1 57 GLU HB2 4.000 . 4.000 2.888 2.796 2.998 . 0 0 "[ . 1 . 2]" 1
662 1 52 PHE HB2 1 57 GLU HB3 4.000 . 4.000 2.575 2.495 2.663 . 0 0 "[ . 1 . 2]" 1
663 1 52 PHE HB2 1 57 GLU HG3 4.920 . 4.920 4.665 4.595 4.756 . 0 0 "[ . 1 . 2]" 1
664 1 52 PHE HB2 1 58 ASP HA 4.320 . 4.320 3.947 3.855 4.024 . 0 0 "[ . 1 . 2]" 1
665 1 52 PHE HB2 1 58 ASP HB2 4.180 . 4.180 3.632 3.505 3.735 . 0 0 "[ . 1 . 2]" 1
666 1 52 PHE HB3 1 53 GLY QA 5.110 . 5.110 4.754 4.735 4.773 . 0 0 "[ . 1 . 2]" 1
667 1 52 PHE HB3 1 54 SER HB2 4.170 . 4.170 3.045 2.945 3.202 . 0 0 "[ . 1 . 2]" 1
668 1 52 PHE HB3 1 54 SER HB3 4.770 . 4.770 4.369 4.287 4.459 . 0 0 "[ . 1 . 2]" 1
669 1 52 PHE HB3 1 57 GLU HA 5.170 . 5.170 5.135 5.066 5.173 0.003 5 0 "[ . 1 . 2]" 1
670 1 52 PHE HB3 1 57 GLU HB2 4.510 . 4.510 2.762 2.686 2.823 . 0 0 "[ . 1 . 2]" 1
671 1 52 PHE HB3 1 57 GLU HB3 3.850 . 3.850 2.624 2.545 2.708 . 0 0 "[ . 1 . 2]" 1
672 1 52 PHE HB3 1 57 GLU HG2 4.700 . 4.700 4.496 4.374 4.595 . 0 0 "[ . 1 . 2]" 1
673 1 52 PHE HB3 1 57 GLU HG3 3.710 . 3.710 3.737 3.718 3.769 0.059 18 0 "[ . 1 . 2]" 1
674 1 52 PHE HB3 1 116 MET ME 4.340 . 4.340 4.283 4.182 4.346 0.006 13 0 "[ . 1 . 2]" 1
675 1 52 PHE HD2 1 57 GLU HA 4.880 . 4.880 4.363 4.332 4.402 . 0 0 "[ . 1 . 2]" 1
676 1 52 PHE HD2 1 57 GLU HB2 4.380 . 4.380 3.761 3.657 3.837 . 0 0 "[ . 1 . 2]" 1
677 1 52 PHE HD2 1 57 GLU HB3 3.880 . 3.880 2.377 2.322 2.420 . 0 0 "[ . 1 . 2]" 1
678 1 52 PHE HD2 1 57 GLU HG2 4.980 . 4.980 4.875 4.767 4.956 . 0 0 "[ . 1 . 2]" 1
679 1 52 PHE HD2 1 58 ASP H 4.860 . 4.860 3.911 3.821 4.060 . 0 0 "[ . 1 . 2]" 1
680 1 52 PHE HD2 1 58 ASP HA 3.990 . 3.990 2.851 2.718 2.987 . 0 0 "[ . 1 . 2]" 1
681 1 52 PHE HD2 1 61 TYR QB 5.200 . 5.200 3.163 3.072 3.203 . 0 0 "[ . 1 . 2]" 1
682 1 52 PHE HD2 1 61 TYR HD1 4.060 . 4.060 3.554 3.459 3.673 . 0 0 "[ . 1 . 2]" 1
683 1 52 PHE HD2 1 116 MET ME 3.570 . 3.570 2.877 2.781 2.940 . 0 0 "[ . 1 . 2]" 1
684 1 52 PHE HE1 1 116 MET HA 4.610 . 4.610 4.195 4.133 4.281 . 0 0 "[ . 1 . 2]" 1
685 1 52 PHE HE1 1 119 ARG HB2 4.600 . 4.600 3.962 3.923 4.007 . 0 0 "[ . 1 . 2]" 1
686 1 52 PHE HE1 1 119 ARG HB3 4.080 . 4.080 4.099 4.085 4.125 0.045 18 0 "[ . 1 . 2]" 1
687 1 52 PHE HE1 1 119 ARG HD2 4.470 . 4.470 4.084 4.012 4.269 . 0 0 "[ . 1 . 2]" 1
688 1 52 PHE HE1 1 119 ARG HD3 4.640 . 4.640 4.651 4.642 4.657 0.017 20 0 "[ . 1 . 2]" 1
689 1 52 PHE HE1 1 119 ARG HG2 4.010 . 4.010 3.337 3.274 3.453 . 0 0 "[ . 1 . 2]" 1
690 1 52 PHE HE1 1 119 ARG HG3 3.970 . 3.970 1.980 1.952 2.035 . 0 0 "[ . 1 . 2]" 1
691 1 52 PHE HE2 1 57 GLU HB3 4.690 . 4.690 4.127 4.075 4.209 . 0 0 "[ . 1 . 2]" 1
692 1 52 PHE HE2 1 61 TYR H 4.480 . 4.480 4.340 4.306 4.414 . 0 0 "[ . 1 . 2]" 1
693 1 52 PHE HE2 1 61 TYR HA 4.510 . 4.510 4.479 4.447 4.511 0.001 17 0 "[ . 1 . 2]" 1
694 1 52 PHE HE2 1 61 TYR QB 4.120 . 4.120 2.077 2.063 2.099 . 0 0 "[ . 1 . 2]" 1
695 1 52 PHE HE2 1 61 TYR HD2 3.450 . 3.450 3.457 3.452 3.471 0.021 4 0 "[ . 1 . 2]" 1
696 1 52 PHE HE2 1 116 MET HA 3.750 . 3.750 3.720 3.528 3.754 0.004 4 0 "[ . 1 . 2]" 1
697 1 52 PHE HE2 1 116 MET HB3 3.840 . 3.840 3.572 3.406 3.639 . 0 0 "[ . 1 . 2]" 1
698 1 52 PHE HE2 1 116 MET ME 2.880 . 2.880 2.898 2.884 2.924 0.044 18 0 "[ . 1 . 2]" 1
699 1 52 PHE HE2 1 116 MET QG . . 4.200 3.870 3.775 3.899 . 0 0 "[ . 1 . 2]" 1
700 1 52 PHE HZ 1 61 TYR QB 4.930 . 4.930 3.707 3.669 3.820 . 0 0 "[ . 1 . 2]" 1
701 1 52 PHE HZ 1 116 MET HA 4.180 . 4.180 2.304 2.234 2.397 . 0 0 "[ . 1 . 2]" 1
702 1 52 PHE HZ 1 116 MET HB2 5.410 . 5.410 5.014 4.956 5.071 . 0 0 "[ . 1 . 2]" 1
703 1 52 PHE HZ 1 116 MET HB3 4.100 . 4.100 3.724 3.657 3.758 . 0 0 "[ . 1 . 2]" 1
704 1 52 PHE HZ 1 119 ARG HD2 5.250 . 5.250 5.177 5.111 5.232 . 0 0 "[ . 1 . 2]" 1
705 1 52 PHE HZ 1 119 ARG HG2 4.220 . 4.220 2.782 2.680 2.825 . 0 0 "[ . 1 . 2]" 1
706 1 52 PHE HZ 1 119 ARG HG3 4.150 . 4.150 2.685 2.591 2.755 . 0 0 "[ . 1 . 2]" 1
707 1 54 SER H 1 54 SER HB2 3.890 . 3.890 2.654 2.516 2.698 . 0 0 "[ . 1 . 2]" 1
708 1 54 SER H 1 55 ASP HA 4.880 . 4.880 4.714 4.595 4.888 0.008 12 0 "[ . 1 . 2]" 1
709 1 54 SER H 1 57 GLU HB2 5.120 . 5.120 3.417 3.217 3.528 . 0 0 "[ . 1 . 2]" 1
710 1 54 SER H 1 58 ASP H 5.100 . 5.100 3.530 3.456 3.585 . 0 0 "[ . 1 . 2]" 1
711 1 54 SER H 1 58 ASP HB2 3.790 . 3.790 3.286 3.159 3.399 . 0 0 "[ . 1 . 2]" 1
712 1 54 SER H 1 58 ASP HB3 4.540 . 4.540 4.547 4.524 4.560 0.020 4 0 "[ . 1 . 2]" 1
713 1 54 SER HA 1 54 SER HB2 3.000 . 3.000 2.917 2.893 2.930 . 0 0 "[ . 1 . 2]" 1
714 1 54 SER HA 1 54 SER HB3 2.790 . 2.790 2.798 2.794 2.805 0.015 17 0 "[ . 1 . 2]" 1
715 1 54 SER HA 1 56 TYR HE1 4.770 . 4.770 4.679 4.635 4.771 0.001 12 0 "[ . 1 . 2]" 1
716 1 54 SER HB2 1 56 TYR HD1 4.650 . 4.650 4.641 4.585 4.654 0.004 17 0 "[ . 1 . 2]" 1
717 1 54 SER HB2 1 57 GLU H 4.220 . 4.220 3.505 3.450 3.553 . 0 0 "[ . 1 . 2]" 1
718 1 54 SER HB2 1 57 GLU HA 5.430 . 5.430 5.267 5.222 5.351 . 0 0 "[ . 1 . 2]" 1
719 1 54 SER HB2 1 57 GLU HB2 3.620 . 3.620 2.398 2.358 2.486 . 0 0 "[ . 1 . 2]" 1
720 1 54 SER HB2 1 57 GLU HB3 4.040 . 4.040 3.888 3.842 3.991 . 0 0 "[ . 1 . 2]" 1
721 1 54 SER HB2 1 57 GLU HG3 4.120 . 4.120 3.220 3.097 3.310 . 0 0 "[ . 1 . 2]" 1
722 1 54 SER HB2 1 58 ASP HB2 5.320 . 5.320 5.300 5.169 5.326 0.006 16 0 "[ . 1 . 2]" 1
723 1 54 SER HB3 1 55 ASP HB2 4.910 . 4.910 4.920 4.913 4.934 0.024 4 0 "[ . 1 . 2]" 1
724 1 54 SER HB3 1 56 TYR HB2 5.500 . 5.500 5.483 5.442 5.504 0.004 18 0 "[ . 1 . 2]" 1
725 1 54 SER HB3 1 56 TYR HD1 4.240 . 4.240 2.998 2.938 3.043 . 0 0 "[ . 1 . 2]" 1
726 1 54 SER HB3 1 56 TYR HE1 4.690 . 4.690 3.059 2.989 3.145 . 0 0 "[ . 1 . 2]" 1
727 1 54 SER HB3 1 57 GLU HA 4.570 . 4.570 4.572 4.564 4.579 0.009 13 0 "[ . 1 . 2]" 1
728 1 54 SER HB3 1 57 GLU HB3 4.140 . 4.140 4.152 4.143 4.161 0.021 4 0 "[ . 1 . 2]" 1
729 1 54 SER HB3 1 57 GLU HG3 3.970 . 3.970 3.040 2.847 3.142 . 0 0 "[ . 1 . 2]" 1
730 1 54 SER HB3 1 58 ASP H 4.160 . 4.160 3.747 3.690 3.776 . 0 0 "[ . 1 . 2]" 1
731 1 54 SER HB3 1 58 ASP HB2 5.370 . 5.370 5.346 5.236 5.382 0.012 18 0 "[ . 1 . 2]" 1
732 1 55 ASP HA 1 55 ASP HB3 2.710 . 2.710 2.572 2.492 2.740 0.030 12 0 "[ . 1 . 2]" 1
733 1 55 ASP HA 1 56 TYR HA 4.810 . 4.810 4.674 4.647 4.687 . 0 0 "[ . 1 . 2]" 1
734 1 55 ASP HA 1 56 TYR HD1 5.500 . 5.500 5.506 5.501 5.518 0.018 18 0 "[ . 1 . 2]" 1
735 1 55 ASP HA 1 58 ASP H 4.120 . 4.120 3.791 3.670 3.911 . 0 0 "[ . 1 . 2]" 1
736 1 55 ASP HA 1 58 ASP HB3 3.410 . 3.410 3.198 3.037 3.412 0.002 14 0 "[ . 1 . 2]" 1
737 1 55 ASP HA 1 59 ARG HB2 4.540 . 4.540 4.520 4.318 4.551 0.011 3 0 "[ . 1 . 2]" 1
738 1 55 ASP HB2 1 56 TYR HA 5.160 . 5.160 4.367 4.127 4.873 . 0 0 "[ . 1 . 2]" 1
739 1 55 ASP HB2 1 56 TYR HD1 4.570 . 4.570 3.902 3.766 4.192 . 0 0 "[ . 1 . 2]" 1
740 1 55 ASP HB3 1 56 TYR HA 4.200 . 4.200 3.994 3.531 4.202 0.002 14 0 "[ . 1 . 2]" 1
741 1 55 ASP HB3 1 59 ARG HB2 5.180 . 5.180 4.570 4.372 4.718 . 0 0 "[ . 1 . 2]" 1
742 1 55 ASP HB3 1 59 ARG HB3 5.500 . 5.500 5.172 4.963 5.313 . 0 0 "[ . 1 . 2]" 1
743 1 55 ASP HB3 1 59 ARG HD3 5.500 . 5.500 5.407 4.951 5.514 0.014 12 0 "[ . 1 . 2]" 1
744 1 56 TYR HA 1 56 TYR HB2 2.960 . 2.960 2.364 2.353 2.377 . 0 0 "[ . 1 . 2]" 1
745 1 56 TYR HA 1 56 TYR HD1 4.950 . 4.950 4.289 4.279 4.306 . 0 0 "[ . 1 . 2]" 1
746 1 56 TYR HA 1 56 TYR HD2 4.620 . 4.620 4.153 4.144 4.173 . 0 0 "[ . 1 . 2]" 1
747 1 56 TYR HA 1 59 ARG H 4.200 . 4.200 3.537 3.481 3.587 . 0 0 "[ . 1 . 2]" 1
748 1 56 TYR HA 1 59 ARG HB3 3.210 . 3.210 2.628 2.582 2.717 . 0 0 "[ . 1 . 2]" 1
749 1 56 TYR HA 1 59 ARG HG2 4.380 . 4.380 4.189 3.808 4.389 0.009 8 0 "[ . 1 . 2]" 1
750 1 56 TYR HA 1 59 ARG HG3 5.500 . 5.500 5.311 4.987 5.513 0.013 4 0 "[ . 1 . 2]" 1
751 1 56 TYR HB2 1 56 TYR HD2 2.950 . 2.950 2.401 2.398 2.403 . 0 0 "[ . 1 . 2]" 1
752 1 56 TYR HB2 1 56 TYR HE2 4.690 . 4.690 4.692 4.690 4.695 0.005 4 0 "[ . 1 . 2]" 1
753 1 56 TYR HB3 1 56 TYR HD1 2.840 . 2.840 2.553 2.544 2.561 . 0 0 "[ . 1 . 2]" 1
754 1 56 TYR HB3 1 56 TYR HE1 4.920 . 4.920 4.797 4.788 4.805 . 0 0 "[ . 1 . 2]" 1
755 1 56 TYR HD2 1 57 GLU HA 3.670 . 3.670 3.574 3.538 3.617 . 0 0 "[ . 1 . 2]" 1
756 1 56 TYR HD2 1 57 GLU HG2 3.820 . 3.820 3.583 3.435 3.775 . 0 0 "[ . 1 . 2]" 1
757 1 56 TYR HD2 1 57 GLU HG3 4.120 . 4.120 4.111 4.040 4.126 0.006 4 0 "[ . 1 . 2]" 1
758 1 56 TYR HD2 1 60 TYR HB2 4.340 . 4.340 4.045 3.907 4.155 . 0 0 "[ . 1 . 2]" 1
759 1 56 TYR HE2 1 57 GLU HA 4.250 . 4.250 4.256 4.252 4.261 0.011 18 0 "[ . 1 . 2]" 1
760 1 56 TYR HE2 1 57 GLU HG2 4.270 . 4.270 2.941 2.849 3.049 . 0 0 "[ . 1 . 2]" 1
761 1 56 TYR HE2 1 57 GLU HG3 3.700 . 3.700 3.115 3.047 3.246 . 0 0 "[ . 1 . 2]" 1
762 1 56 TYR HE2 1 112 THR MG 4.090 . 4.090 3.641 3.409 3.823 . 0 0 "[ . 1 . 2]" 1
763 1 57 GLU H 1 58 ASP H 3.870 . 3.870 2.472 2.439 2.546 . 0 0 "[ . 1 . 2]" 1
764 1 57 GLU H 1 60 TYR H 4.740 . 4.740 4.478 4.434 4.516 . 0 0 "[ . 1 . 2]" 1
765 1 57 GLU HA 1 57 GLU HG2 3.190 . 3.190 2.035 1.987 2.103 . 0 0 "[ . 1 . 2]" 1
766 1 57 GLU HA 1 57 GLU HG3 3.440 . 3.440 3.198 3.133 3.248 . 0 0 "[ . 1 . 2]" 1
767 1 57 GLU HA 1 60 TYR H 4.140 . 4.140 3.173 3.133 3.203 . 0 0 "[ . 1 . 2]" 1
768 1 57 GLU HA 1 60 TYR HB2 3.930 . 3.930 3.744 3.674 3.819 . 0 0 "[ . 1 . 2]" 1
769 1 57 GLU HA 1 60 TYR HB3 3.790 . 3.790 2.707 2.630 2.758 . 0 0 "[ . 1 . 2]" 1
770 1 57 GLU HA 1 60 TYR QD 4.570 . 4.570 4.363 4.210 4.443 . 0 0 "[ . 1 . 2]" 1
771 1 57 GLU HA 1 61 TYR QB 4.380 . 4.380 4.193 4.151 4.246 . 0 0 "[ . 1 . 2]" 1
772 1 57 GLU HA 1 112 THR MG 4.310 . 4.310 4.041 3.903 4.213 . 0 0 "[ . 1 . 2]" 1
773 1 57 GLU HA 1 116 MET ME 3.150 . 3.150 2.353 2.330 2.382 . 0 0 "[ . 1 . 2]" 1
774 1 57 GLU HB2 1 58 ASP H 4.000 . 4.000 2.748 2.649 2.798 . 0 0 "[ . 1 . 2]" 1
775 1 57 GLU HB2 1 58 ASP HB2 4.870 . 4.870 4.427 4.318 4.496 . 0 0 "[ . 1 . 2]" 1
776 1 57 GLU HB3 1 58 ASP H 3.620 . 3.620 3.258 3.223 3.292 . 0 0 "[ . 1 . 2]" 1
777 1 57 GLU HB3 1 58 ASP HA 4.060 . 4.060 4.012 3.976 4.061 0.001 5 0 "[ . 1 . 2]" 1
778 1 57 GLU HB3 1 58 ASP HB2 4.640 . 4.640 4.646 4.640 4.658 0.018 13 0 "[ . 1 . 2]" 1
779 1 57 GLU HB3 1 61 TYR H 5.110 . 5.110 4.654 4.580 4.699 . 0 0 "[ . 1 . 2]" 1
780 1 57 GLU HB3 1 61 TYR QB 4.290 . 4.290 4.065 4.006 4.110 . 0 0 "[ . 1 . 2]" 1
781 1 57 GLU HB3 1 116 MET ME 3.310 . 3.310 2.292 2.188 2.347 . 0 0 "[ . 1 . 2]" 1
782 1 57 GLU HG2 1 60 TYR HB3 4.120 . 4.120 4.130 4.119 4.156 0.036 18 0 "[ . 1 . 2]" 1
783 1 57 GLU HG2 1 61 TYR QB 5.300 . 5.300 5.130 5.117 5.145 . 0 0 "[ . 1 . 2]" 1
784 1 57 GLU HG2 1 116 MET ME 3.430 . 3.430 2.315 2.274 2.352 . 0 0 "[ . 1 . 2]" 1
785 1 57 GLU HG3 1 112 THR MG 4.980 . 4.980 4.781 4.640 4.992 0.012 13 0 "[ . 1 . 2]" 1
786 1 58 ASP H 1 58 ASP HB2 3.470 . 3.470 2.387 2.303 2.456 . 0 0 "[ . 1 . 2]" 1
787 1 58 ASP H 1 58 ASP HB3 3.640 . 3.640 2.611 2.542 2.722 . 0 0 "[ . 1 . 2]" 1
788 1 58 ASP HA 1 61 TYR HD1 4.460 . 4.460 2.058 2.023 2.130 . 0 0 "[ . 1 . 2]" 1
789 1 58 ASP HA 1 116 MET ME 4.190 . 4.190 4.231 4.205 4.304 0.114 18 0 "[ . 1 . 2]" 1
790 1 58 ASP HB2 1 59 ARG H 4.130 . 4.130 3.908 3.834 4.018 . 0 0 "[ . 1 . 2]" 1
791 1 58 ASP HB2 1 61 TYR HE1 4.430 . 4.430 4.425 4.317 4.445 0.015 1 0 "[ . 1 . 2]" 1
792 1 58 ASP HB3 1 59 ARG H 3.810 . 3.810 2.848 2.756 2.948 . 0 0 "[ . 1 . 2]" 1
793 1 58 ASP HB3 1 59 ARG HB2 4.230 . 4.230 4.242 4.214 4.253 0.023 4 0 "[ . 1 . 2]" 1
794 1 58 ASP HB3 1 61 TYR HE1 4.500 . 4.500 4.471 4.312 4.513 0.013 15 0 "[ . 1 . 2]" 1
795 1 59 ARG H 1 59 ARG HB2 3.570 . 3.570 2.556 2.465 2.637 . 0 0 "[ . 1 . 2]" 1
796 1 59 ARG H 1 59 ARG HB3 3.710 . 3.710 2.401 2.286 2.510 . 0 0 "[ . 1 . 2]" 1
797 1 59 ARG H 1 59 ARG HD3 4.830 . 4.830 4.731 4.488 4.844 0.014 13 0 "[ . 1 . 2]" 1
798 1 59 ARG H 1 59 ARG HG3 4.440 . 4.440 4.398 4.328 4.438 . 0 0 "[ . 1 . 2]" 1
799 1 59 ARG H 1 60 TYR H 3.670 . 3.670 2.581 2.484 2.659 . 0 0 "[ . 1 . 2]" 1
800 1 59 ARG HA 1 59 ARG HB2 2.770 . 2.770 2.465 2.403 2.526 . 0 0 "[ . 1 . 2]" 1
801 1 59 ARG HA 1 59 ARG HD2 4.490 . 4.490 3.660 2.411 4.505 0.015 12 0 "[ . 1 . 2]" 1
802 1 59 ARG HA 1 59 ARG HD3 3.780 . 3.780 3.624 3.077 3.826 0.046 3 0 "[ . 1 . 2]" 1
803 1 59 ARG HA 1 59 ARG HG3 3.390 . 3.390 2.552 2.279 2.910 . 0 0 "[ . 1 . 2]" 1
804 1 59 ARG HA 1 62 ARG HB3 3.980 . 3.980 3.999 3.986 4.017 0.037 18 0 "[ . 1 . 2]" 1
805 1 59 ARG HA 1 62 ARG HG2 2.970 . 2.970 2.438 2.159 2.655 . 0 0 "[ . 1 . 2]" 1
806 1 59 ARG HB2 1 59 ARG HD3 2.680 . 2.680 2.215 2.005 2.383 . 0 0 "[ . 1 . 2]" 1
807 1 59 ARG HB3 1 59 ARG HG2 2.610 . 2.610 2.236 2.203 2.280 . 0 0 "[ . 1 . 2]" 1
808 1 59 ARG HB3 1 60 TYR H 4.020 . 4.020 2.554 2.416 2.710 . 0 0 "[ . 1 . 2]" 1
809 1 59 ARG HB3 1 60 TYR HB2 4.560 . 4.560 3.971 3.817 4.182 . 0 0 "[ . 1 . 2]" 1
810 1 59 ARG HD2 1 63 GLU HG3 5.050 . 5.050 4.357 3.733 5.061 0.011 19 0 "[ . 1 . 2]" 1
811 1 59 ARG HD3 1 59 ARG HG2 2.970 . 2.970 2.758 2.380 2.991 0.021 4 0 "[ . 1 . 2]" 1
812 1 59 ARG HD3 1 59 ARG HG3 2.970 . 2.970 2.729 2.441 2.988 0.018 16 0 "[ . 1 . 2]" 1
813 1 59 ARG HG2 1 60 TYR H 4.670 . 4.670 3.983 3.585 4.345 . 0 0 "[ . 1 . 2]" 1
814 1 59 ARG HG2 1 63 GLU HG3 4.450 . 4.450 4.020 3.451 4.457 0.007 5 0 "[ . 1 . 2]" 1
815 1 59 ARG HG3 1 60 TYR HA 4.370 . 4.370 3.970 3.306 4.379 0.009 15 0 "[ . 1 . 2]" 1
816 1 59 ARG HG3 1 62 ARG H 5.500 . 5.500 5.192 4.964 5.468 . 0 0 "[ . 1 . 2]" 1
817 1 59 ARG HG3 1 63 GLU HG2 4.390 . 4.390 4.111 3.872 4.386 . 0 0 "[ . 1 . 2]" 1
818 1 59 ARG HG3 1 63 GLU HG3 3.750 . 3.750 2.876 2.640 3.265 . 0 0 "[ . 1 . 2]" 1
819 1 60 TYR H 1 60 TYR HB2 3.850 . 3.850 2.498 2.459 2.539 . 0 0 "[ . 1 . 2]" 1
820 1 60 TYR H 1 60 TYR HB3 3.810 . 3.810 2.411 2.363 2.463 . 0 0 "[ . 1 . 2]" 1
821 1 60 TYR H 1 60 TYR QD 5.140 . 5.140 4.162 4.144 4.174 . 0 0 "[ . 1 . 2]" 1
822 1 60 TYR H 1 61 TYR H 3.980 . 3.980 2.616 2.594 2.632 . 0 0 "[ . 1 . 2]" 1
823 1 60 TYR H 1 61 TYR HA 5.170 . 5.170 5.187 5.176 5.200 0.030 18 0 "[ . 1 . 2]" 1
824 1 60 TYR H 1 61 TYR QB 4.590 . 4.590 4.474 4.466 4.489 . 0 0 "[ . 1 . 2]" 1
825 1 60 TYR H 1 116 MET ME 3.990 . 3.990 3.817 3.780 3.850 . 0 0 "[ . 1 . 2]" 1
826 1 60 TYR HA 1 60 TYR QD 3.340 . 3.340 2.941 2.886 2.988 . 0 0 "[ . 1 . 2]" 1
827 1 60 TYR HA 1 60 TYR QE 5.170 . 5.170 4.740 4.676 4.800 . 0 0 "[ . 1 . 2]" 1
828 1 60 TYR HA 1 63 GLU H 4.260 . 4.260 3.192 3.132 3.248 . 0 0 "[ . 1 . 2]" 1
829 1 60 TYR HA 1 63 GLU QB 3.160 . 3.160 2.429 2.324 2.524 . 0 0 "[ . 1 . 2]" 1
830 1 60 TYR HA 1 63 GLU HG2 4.700 . 4.700 4.724 4.704 4.754 0.054 18 0 "[ . 1 . 2]" 1
831 1 60 TYR HA 1 63 GLU HG3 3.920 . 3.920 3.624 3.336 3.799 . 0 0 "[ . 1 . 2]" 1
832 1 60 TYR HA 1 64 ASN HD21 4.740 . 4.740 4.052 3.832 4.197 . 0 0 "[ . 1 . 2]" 1
833 1 60 TYR HA 1 116 MET ME 5.020 . 5.020 4.736 4.709 4.767 . 0 0 "[ . 1 . 2]" 1
834 1 60 TYR HB2 1 60 TYR QD 3.210 . 3.210 2.421 2.398 2.448 . 0 0 "[ . 1 . 2]" 1
835 1 60 TYR HB2 1 60 TYR QE 4.770 . 4.770 4.447 4.431 4.464 . 0 0 "[ . 1 . 2]" 1
836 1 60 TYR HB2 1 61 TYR H 4.170 . 4.170 3.886 3.839 3.921 . 0 0 "[ . 1 . 2]" 1
837 1 60 TYR HB2 1 112 THR MG 4.390 . 4.390 4.141 3.972 4.267 . 0 0 "[ . 1 . 2]" 1
838 1 60 TYR HB2 1 116 MET ME 3.960 . 3.960 3.958 3.928 3.978 0.018 18 0 "[ . 1 . 2]" 1
839 1 60 TYR HB3 1 60 TYR QD 3.270 . 3.270 2.418 2.397 2.434 . 0 0 "[ . 1 . 2]" 1
840 1 60 TYR HB3 1 61 TYR H 4.030 . 4.030 2.576 2.525 2.622 . 0 0 "[ . 1 . 2]" 1
841 1 60 TYR HB3 1 61 TYR HA 4.440 . 4.440 4.183 4.120 4.252 . 0 0 "[ . 1 . 2]" 1
842 1 60 TYR HB3 1 112 THR MG 4.010 . 4.010 3.464 3.269 3.602 . 0 0 "[ . 1 . 2]" 1
843 1 60 TYR HB3 1 116 MET ME 3.140 . 3.140 2.468 2.433 2.512 . 0 0 "[ . 1 . 2]" 1
844 1 60 TYR HB3 1 116 MET QG 4.380 . 4.380 3.918 3.860 3.980 . 0 0 "[ . 1 . 2]" 1
845 1 60 TYR QD 1 61 TYR HA 3.700 . 3.700 3.004 2.957 3.070 . 0 0 "[ . 1 . 2]" 1
846 1 60 TYR QD 1 61 TYR QB . . 4.420 3.762 3.688 3.821 . 0 0 "[ . 1 . 2]" 1
847 1 60 TYR QD 1 63 GLU QB 4.430 . 4.430 4.095 4.063 4.130 . 0 0 "[ . 1 . 2]" 1
848 1 60 TYR QD 1 112 THR MG 4.410 . 4.410 2.600 2.534 2.724 . 0 0 "[ . 1 . 2]" 1
849 1 60 TYR QD 1 116 MET ME 3.460 . 3.460 2.215 2.091 2.332 . 0 0 "[ . 1 . 2]" 1
850 1 60 TYR QD 1 116 MET QG 3.740 . 3.740 2.265 2.171 2.343 . 0 0 "[ . 1 . 2]" 1
851 1 60 TYR QE 1 61 TYR HA 4.450 . 4.450 4.419 4.395 4.437 . 0 0 "[ . 1 . 2]" 1
852 1 60 TYR QE 1 112 THR MG 4.530 . 4.530 2.828 2.565 3.082 . 0 0 "[ . 1 . 2]" 1
853 1 60 TYR QE 1 116 MET QG 4.220 . 4.220 2.966 2.706 3.170 . 0 0 "[ . 1 . 2]" 1
854 1 61 TYR H 1 61 TYR HD1 4.360 . 4.360 2.556 2.483 2.611 . 0 0 "[ . 1 . 2]" 1
855 1 61 TYR H 1 61 TYR HE1 5.290 . 5.290 4.944 4.856 4.995 . 0 0 "[ . 1 . 2]" 1
856 1 61 TYR H 1 62 ARG H 4.050 . 4.050 2.644 2.604 2.696 . 0 0 "[ . 1 . 2]" 1
857 1 61 TYR H 1 63 GLU QB 5.500 . 5.500 5.000 4.934 5.109 . 0 0 "[ . 1 . 2]" 1
858 1 61 TYR H 1 116 MET HB3 5.500 . 5.500 5.102 5.058 5.139 . 0 0 "[ . 1 . 2]" 1
859 1 61 TYR H 1 116 MET ME 3.980 . 3.980 2.466 2.409 2.512 . 0 0 "[ . 1 . 2]" 1
860 1 61 TYR H 1 116 MET QG 5.140 . 5.140 3.558 3.536 3.569 . 0 0 "[ . 1 . 2]" 1
861 1 61 TYR HA 1 61 TYR HD2 4.320 . 4.320 4.072 4.014 4.132 . 0 0 "[ . 1 . 2]" 1
862 1 61 TYR HA 1 64 ASN H 3.870 . 3.870 3.676 3.599 3.747 . 0 0 "[ . 1 . 2]" 1
863 1 61 TYR HA 1 64 ASN HB2 4.370 . 4.370 3.498 3.408 3.659 . 0 0 "[ . 1 . 2]" 1
864 1 61 TYR HA 1 65 MET H 5.130 . 5.130 4.247 4.140 4.420 . 0 0 "[ . 1 . 2]" 1
865 1 61 TYR HA 1 65 MET HB2 4.970 . 4.970 4.922 4.865 4.971 0.001 6 0 "[ . 1 . 2]" 1
866 1 61 TYR HA 1 68 TYR HE2 3.710 . 3.710 3.070 3.022 3.163 . 0 0 "[ . 1 . 2]" 1
867 1 61 TYR HA 1 112 THR MG 4.980 . 4.980 4.889 4.735 5.004 0.024 4 0 "[ . 1 . 2]" 1
868 1 61 TYR HA 1 116 MET HB3 3.200 . 3.200 3.101 3.033 3.140 . 0 0 "[ . 1 . 2]" 1
869 1 61 TYR HA 1 116 MET ME 3.050 . 3.050 3.058 3.050 3.073 0.023 18 0 "[ . 1 . 2]" 1
870 1 61 TYR HA 1 116 MET QG 3.700 . 3.700 2.122 2.066 2.181 . 0 0 "[ . 1 . 2]" 1
871 1 61 TYR QB 1 61 TYR HE2 4.690 . 4.690 4.439 4.435 4.446 . 0 0 "[ . 1 . 2]" 1
872 1 61 TYR QB 1 62 ARG H . . 3.840 3.445 3.418 3.461 . 0 0 "[ . 1 . 2]" 1
873 1 61 TYR QB 1 62 ARG HA 5.500 . 5.500 4.705 4.689 4.722 . 0 0 "[ . 1 . 2]" 1
874 1 61 TYR QB 1 65 MET HB2 5.150 . 5.150 4.910 4.832 4.929 . 0 0 "[ . 1 . 2]" 1
875 1 61 TYR QB 1 65 MET ME 4.290 . 4.290 4.120 4.031 4.164 . 0 0 "[ . 1 . 2]" 1
876 1 61 TYR QB 1 68 TYR HE2 3.760 . 3.760 3.041 2.961 3.177 . 0 0 "[ . 1 . 2]" 1
877 1 61 TYR QB 1 112 THR MG 5.170 . 5.170 4.682 4.554 4.785 . 0 0 "[ . 1 . 2]" 1
878 1 61 TYR QB 1 116 MET HA 3.930 . 3.930 3.668 3.634 3.690 . 0 0 "[ . 1 . 2]" 1
879 1 61 TYR QB 1 116 MET HB3 3.830 . 3.830 2.075 2.044 2.108 . 0 0 "[ . 1 . 2]" 1
880 1 61 TYR QB 1 116 MET ME 3.420 . 3.420 2.132 2.062 2.151 . 0 0 "[ . 1 . 2]" 1
881 1 61 TYR QB 1 116 MET QG 4.050 . 4.050 2.401 2.367 2.434 . 0 0 "[ . 1 . 2]" 1
882 1 61 TYR HD1 1 62 ARG H 4.230 . 4.230 2.463 2.408 2.518 . 0 0 "[ . 1 . 2]" 1
883 1 61 TYR HD1 1 62 ARG HA 4.860 . 4.860 4.557 4.478 4.650 . 0 0 "[ . 1 . 2]" 1
884 1 61 TYR HD1 1 62 ARG HB3 4.000 . 4.000 3.188 3.018 3.362 . 0 0 "[ . 1 . 2]" 1
885 1 61 TYR HD1 1 62 ARG HG2 4.350 . 4.350 4.299 3.951 4.365 0.015 5 0 "[ . 1 . 2]" 1
886 1 61 TYR HD1 1 116 MET ME 3.860 . 3.860 3.820 3.782 3.857 . 0 0 "[ . 1 . 2]" 1
887 1 61 TYR HD2 1 62 ARG HA 5.200 . 5.200 4.430 4.355 4.497 . 0 0 "[ . 1 . 2]" 1
888 1 61 TYR HD2 1 65 MET ME 3.850 . 3.850 2.695 2.607 2.758 . 0 0 "[ . 1 . 2]" 1
889 1 61 TYR HD2 1 68 TYR HE2 3.750 . 3.750 3.535 3.383 3.705 . 0 0 "[ . 1 . 2]" 1
890 1 61 TYR HD2 1 116 MET HA 4.990 . 4.990 5.002 4.994 5.027 0.037 18 0 "[ . 1 . 2]" 1
891 1 61 TYR HD2 1 116 MET HB3 4.340 . 4.340 3.514 3.495 3.537 . 0 0 "[ . 1 . 2]" 1
892 1 61 TYR HD2 1 116 MET QG 4.890 . 4.890 4.727 4.717 4.741 . 0 0 "[ . 1 . 2]" 1
893 1 61 TYR HD2 1 120 VAL HB 5.060 . 5.060 5.027 4.991 5.060 0.000 7 0 "[ . 1 . 2]" 1
894 1 61 TYR HD2 1 120 VAL MG2 3.980 . 3.980 2.529 2.501 2.562 . 0 0 "[ . 1 . 2]" 1
895 1 61 TYR HE1 1 62 ARG HB2 4.360 . 4.360 3.979 3.798 4.169 . 0 0 "[ . 1 . 2]" 1
896 1 61 TYR HE1 1 62 ARG HB3 3.640 . 3.640 2.529 2.359 2.625 . 0 0 "[ . 1 . 2]" 1
897 1 61 TYR HE1 1 62 ARG HG2 4.200 . 4.200 3.776 3.622 3.886 . 0 0 "[ . 1 . 2]" 1
898 1 61 TYR HE1 1 62 ARG HG3 4.960 . 4.960 4.967 4.860 5.004 0.044 16 0 "[ . 1 . 2]" 1
899 1 61 TYR HE2 1 65 MET HB2 4.390 . 4.390 4.385 4.325 4.404 0.014 16 0 "[ . 1 . 2]" 1
900 1 61 TYR HE2 1 65 MET ME 3.330 . 3.330 2.511 2.465 2.562 . 0 0 "[ . 1 . 2]" 1
901 1 61 TYR HE2 1 120 VAL MG1 4.910 . 4.910 4.943 4.923 4.962 0.052 5 0 "[ . 1 . 2]" 1
902 1 61 TYR HE2 1 120 VAL MG2 3.400 . 3.400 3.372 3.351 3.393 . 0 0 "[ . 1 . 2]" 1
903 1 62 ARG H 1 62 ARG HG2 4.000 . 4.000 3.226 2.823 3.366 . 0 0 "[ . 1 . 2]" 1
904 1 62 ARG H 1 62 ARG HG3 3.390 . 3.390 2.929 2.633 3.315 . 0 0 "[ . 1 . 2]" 1
905 1 62 ARG H 1 63 GLU H 3.780 . 3.780 2.464 2.439 2.483 . 0 0 "[ . 1 . 2]" 1
906 1 62 ARG HA 1 62 ARG HD2 4.260 . 4.260 4.028 3.605 4.275 0.015 15 0 "[ . 1 . 2]" 1
907 1 62 ARG HA 1 62 ARG QD 3.710 . 3.710 3.666 3.429 3.778 0.068 1 0 "[ . 1 . 2]" 1
908 1 62 ARG HA 1 62 ARG HD3 4.260 . 4.260 4.247 4.137 4.294 0.034 18 0 "[ . 1 . 2]" 1
909 1 62 ARG HA 1 62 ARG HG3 3.930 . 3.930 3.596 3.528 3.627 . 0 0 "[ . 1 . 2]" 1
910 1 62 ARG HA 1 64 ASN H 4.220 . 4.220 4.229 4.222 4.240 0.020 16 0 "[ . 1 . 2]" 1
911 1 62 ARG HA 1 65 MET HB2 4.190 . 4.190 2.489 2.368 2.624 . 0 0 "[ . 1 . 2]" 1
912 1 62 ARG HA 1 65 MET HB3 4.240 . 4.240 2.692 2.582 2.801 . 0 0 "[ . 1 . 2]" 1
913 1 62 ARG HA 1 65 MET ME 4.230 . 4.230 3.671 3.601 3.817 . 0 0 "[ . 1 . 2]" 1
914 1 62 ARG HA 1 65 MET HG2 3.900 . 3.900 3.751 3.638 3.902 0.002 2 0 "[ . 1 . 2]" 1
915 1 62 ARG HA 1 65 MET HG3 5.300 . 5.300 4.786 4.670 4.955 . 0 0 "[ . 1 . 2]" 1
916 1 62 ARG HB2 1 62 ARG QD 3.330 . 3.330 2.036 1.928 2.110 . 0 0 "[ . 1 . 2]" 1
917 1 62 ARG HB3 1 62 ARG QD 3.330 . 3.330 2.961 2.440 3.097 . 0 0 "[ . 1 . 2]" 1
918 1 62 ARG QD 1 63 GLU HG3 5.190 . 5.190 3.938 3.336 4.631 . 0 0 "[ . 1 . 2]" 1
919 1 62 ARG HG2 1 63 GLU HG3 4.210 . 4.210 4.104 3.823 4.216 0.006 5 0 "[ . 1 . 2]" 1
920 1 62 ARG HG3 1 63 GLU H 3.780 . 3.780 2.573 2.369 2.843 . 0 0 "[ . 1 . 2]" 1
921 1 62 ARG HG3 1 63 GLU HA 3.620 . 3.620 3.575 3.412 3.632 0.012 4 0 "[ . 1 . 2]" 1
922 1 63 GLU H 1 63 GLU QB 3.260 . 3.260 2.243 2.198 2.279 . 0 0 "[ . 1 . 2]" 1
923 1 63 GLU H 1 63 GLU HG2 4.210 . 4.210 3.878 3.620 3.990 . 0 0 "[ . 1 . 2]" 1
924 1 63 GLU H 1 63 GLU HG3 3.740 . 3.740 2.687 2.578 2.787 . 0 0 "[ . 1 . 2]" 1
925 1 63 GLU H 1 64 ASN H 3.950 . 3.950 2.452 2.388 2.507 . 0 0 "[ . 1 . 2]" 1
926 1 63 GLU HA 1 63 GLU QB 2.750 . 2.750 2.460 2.447 2.474 . 0 0 "[ . 1 . 2]" 1
927 1 63 GLU HA 1 63 GLU HG2 2.730 . 2.730 2.473 2.225 2.603 . 0 0 "[ . 1 . 2]" 1
928 1 63 GLU HA 1 63 GLU HG3 2.970 . 2.970 2.728 2.579 2.977 0.007 16 0 "[ . 1 . 2]" 1
929 1 63 GLU HA 1 65 MET H 4.880 . 4.880 4.277 4.138 4.401 . 0 0 "[ . 1 . 2]" 1
930 1 63 GLU QB 1 63 GLU HG2 2.790 . 2.790 2.308 2.268 2.405 . 0 0 "[ . 1 . 2]" 1
931 1 63 GLU QB 1 64 ASN H 3.850 . 3.850 2.644 2.548 2.718 . 0 0 "[ . 1 . 2]" 1
932 1 63 GLU QB 1 64 ASN HA 4.370 . 4.370 3.985 3.914 4.039 . 0 0 "[ . 1 . 2]" 1
933 1 63 GLU QB 1 64 ASN HB2 5.500 . 5.500 4.357 4.276 4.434 . 0 0 "[ . 1 . 2]" 1
934 1 63 GLU QB 1 64 ASN HD21 . . 4.250 3.728 3.565 3.813 . 0 0 "[ . 1 . 2]" 1
935 1 64 ASN H 1 64 ASN HB2 3.560 . 3.560 2.432 2.410 2.474 . 0 0 "[ . 1 . 2]" 1
936 1 64 ASN H 1 64 ASN HD21 4.060 . 4.060 2.958 2.858 3.028 . 0 0 "[ . 1 . 2]" 1
937 1 64 ASN H 1 64 ASN HD22 4.070 . 4.070 3.873 3.832 3.973 . 0 0 "[ . 1 . 2]" 1
938 1 64 ASN H 1 65 MET H 3.540 . 3.540 2.334 2.304 2.359 . 0 0 "[ . 1 . 2]" 1
939 1 64 ASN H 1 65 MET HB3 4.580 . 4.580 4.535 4.455 4.585 0.005 18 0 "[ . 1 . 2]" 1
940 1 64 ASN HA 1 65 MET HA 5.150 . 5.150 4.933 4.867 4.981 . 0 0 "[ . 1 . 2]" 1
941 1 64 ASN HB2 1 65 MET H 3.650 . 3.650 3.311 3.251 3.450 . 0 0 "[ . 1 . 2]" 1
942 1 64 ASN HB2 1 68 TYR HD1 5.150 . 5.150 4.952 4.799 5.042 . 0 0 "[ . 1 . 2]" 1
943 1 64 ASN HB2 1 68 TYR HE1 4.150 . 4.150 3.309 3.164 3.443 . 0 0 "[ . 1 . 2]" 1
944 1 64 ASN HB2 1 113 ASP HA 4.380 . 4.380 4.123 3.982 4.218 . 0 0 "[ . 1 . 2]" 1
945 1 64 ASN HB3 1 67 ARG HB2 4.270 . 4.270 3.553 3.125 3.836 . 0 0 "[ . 1 . 2]" 1
946 1 64 ASN HB3 1 68 TYR HD1 4.040 . 4.040 4.008 3.847 4.057 0.017 4 0 "[ . 1 . 2]" 1
947 1 64 ASN HB3 1 68 TYR HE1 4.330 . 4.330 2.555 2.406 2.664 . 0 0 "[ . 1 . 2]" 1
948 1 64 ASN HB3 1 113 ASP HB3 5.100 . 5.100 5.023 4.669 5.113 0.013 3 0 "[ . 1 . 2]" 1
949 1 64 ASN HD21 1 65 MET H 4.770 . 4.770 4.786 4.776 4.799 0.029 17 0 "[ . 1 . 2]" 1
950 1 64 ASN HD21 1 112 THR HB 5.500 . 5.500 5.377 5.237 5.495 . 0 0 "[ . 1 . 2]" 1
951 1 64 ASN HD21 1 113 ASP HA 3.920 . 3.920 3.935 3.927 3.953 0.033 16 0 "[ . 1 . 2]" 1
952 1 64 ASN HD22 1 113 ASP HA 5.140 . 5.140 4.932 4.790 5.027 . 0 0 "[ . 1 . 2]" 1
953 1 65 MET H 1 65 MET HB2 4.000 . 4.000 2.549 2.521 2.622 . 0 0 "[ . 1 . 2]" 1
954 1 65 MET H 1 65 MET HB3 3.950 . 3.950 2.431 2.379 2.472 . 0 0 "[ . 1 . 2]" 1
955 1 65 MET H 1 65 MET HG2 4.640 . 4.640 4.570 4.546 4.606 . 0 0 "[ . 1 . 2]" 1
956 1 65 MET H 1 66 HIS HD2 4.860 . 4.860 4.057 3.619 4.452 . 0 0 "[ . 1 . 2]" 1
957 1 65 MET HA 1 65 MET ME 3.570 . 3.570 2.874 2.763 2.926 . 0 0 "[ . 1 . 2]" 1
958 1 65 MET HA 1 65 MET HG2 4.010 . 4.010 3.849 3.826 3.874 . 0 0 "[ . 1 . 2]" 1
959 1 65 MET HA 1 65 MET HG3 3.740 . 3.740 3.270 3.247 3.305 . 0 0 "[ . 1 . 2]" 1
960 1 65 MET HA 1 67 ARG H 4.500 . 4.500 3.728 3.627 3.841 . 0 0 "[ . 1 . 2]" 1
961 1 65 MET HA 1 68 TYR H 4.570 . 4.570 3.147 3.048 3.243 . 0 0 "[ . 1 . 2]" 1
962 1 65 MET HA 1 68 TYR HB2 3.770 . 3.770 2.554 2.505 2.625 . 0 0 "[ . 1 . 2]" 1
963 1 65 MET HA 1 68 TYR HD2 3.630 . 3.630 2.593 2.531 2.648 . 0 0 "[ . 1 . 2]" 1
964 1 65 MET HA 1 68 TYR HE2 3.920 . 3.920 3.680 3.602 3.778 . 0 0 "[ . 1 . 2]" 1
965 1 65 MET HA 1 120 VAL MG1 4.400 . 4.400 4.268 4.172 4.368 . 0 0 "[ . 1 . 2]" 1
966 1 65 MET HA 1 120 VAL MG2 4.370 . 4.370 4.383 4.356 4.409 0.039 3 0 "[ . 1 . 2]" 1
967 1 65 MET HB2 1 65 MET ME 2.710 . 2.710 2.192 2.150 2.225 . 0 0 "[ . 1 . 2]" 1
968 1 65 MET HB2 1 68 TYR HB2 4.620 . 4.620 4.631 4.624 4.639 0.019 16 0 "[ . 1 . 2]" 1
969 1 65 MET HB2 1 68 TYR HD2 3.980 . 3.980 3.781 3.729 3.838 . 0 0 "[ . 1 . 2]" 1
970 1 65 MET HB3 1 65 MET ME 3.740 . 3.740 3.505 3.482 3.530 . 0 0 "[ . 1 . 2]" 1
971 1 65 MET HB3 1 66 HIS H 4.430 . 4.430 2.905 2.859 2.966 . 0 0 "[ . 1 . 2]" 1
972 1 65 MET HB3 1 66 HIS HB2 5.400 . 5.400 5.130 4.898 5.325 . 0 0 "[ . 1 . 2]" 1
973 1 65 MET HB3 1 66 HIS HD2 4.500 . 4.500 3.587 3.005 4.500 0.000 2 0 "[ . 1 . 2]" 1
974 1 65 MET HB3 1 68 TYR HD2 5.230 . 5.230 5.170 5.122 5.231 0.001 2 0 "[ . 1 . 2]" 1
975 1 65 MET ME 1 65 MET HG2 3.170 . 3.170 2.430 2.367 2.524 . 0 0 "[ . 1 . 2]" 1
976 1 65 MET ME 1 68 TYR HB2 3.780 . 3.780 3.768 3.666 3.812 0.032 18 0 "[ . 1 . 2]" 1
977 1 65 MET ME 1 68 TYR HB3 5.050 . 5.050 4.278 4.191 4.333 . 0 0 "[ . 1 . 2]" 1
978 1 65 MET ME 1 68 TYR HD2 3.780 . 3.780 2.368 2.285 2.445 . 0 0 "[ . 1 . 2]" 1
979 1 65 MET ME 1 68 TYR HE2 4.330 . 4.330 3.316 3.123 3.455 . 0 0 "[ . 1 . 2]" 1
980 1 65 MET ME 1 117 MET HA 5.500 . 5.500 5.055 4.982 5.141 . 0 0 "[ . 1 . 2]" 1
981 1 65 MET ME 1 120 VAL MG1 4.430 . 4.430 2.123 2.044 2.187 . 0 0 "[ . 1 . 2]" 1
982 1 65 MET ME 1 120 VAL MG2 2.920 . 2.920 1.982 1.953 2.024 . 0 0 "[ . 1 . 2]" 1
983 1 65 MET HG2 1 66 HIS H 4.880 . 4.880 4.856 4.820 4.883 0.003 9 0 "[ . 1 . 2]" 1
984 1 65 MET HG2 1 68 TYR HD2 5.360 . 5.360 5.199 5.046 5.307 . 0 0 "[ . 1 . 2]" 1
985 1 65 MET HG3 1 66 HIS H 4.110 . 4.110 3.776 3.728 3.811 . 0 0 "[ . 1 . 2]" 1
986 1 65 MET HG3 1 66 HIS HA 3.620 . 3.620 3.629 3.622 3.644 0.024 4 0 "[ . 1 . 2]" 1
987 1 66 HIS H 1 66 HIS HB2 3.960 . 3.960 2.353 2.212 2.466 . 0 0 "[ . 1 . 2]" 1
988 1 66 HIS H 1 67 ARG H 4.120 . 4.120 2.631 2.570 2.675 . 0 0 "[ . 1 . 2]" 1
989 1 66 HIS H 1 68 TYR H 4.520 . 4.520 4.052 3.973 4.115 . 0 0 "[ . 1 . 2]" 1
990 1 66 HIS HB2 1 67 ARG H 4.280 . 4.280 3.056 2.823 3.247 . 0 0 "[ . 1 . 2]" 1
991 1 66 HIS HB2 1 67 ARG HA 5.220 . 5.220 4.636 4.395 4.841 . 0 0 "[ . 1 . 2]" 1
992 1 66 HIS HB2 1 67 ARG HB2 5.500 . 5.500 3.912 3.693 4.149 . 0 0 "[ . 1 . 2]" 1
993 1 66 HIS HB3 1 67 ARG HB2 4.830 . 4.830 4.832 4.779 4.851 0.021 18 0 "[ . 1 . 2]" 1
994 1 67 ARG H 1 67 ARG HB2 3.650 . 3.650 2.187 2.090 2.301 . 0 0 "[ . 1 . 2]" 1
995 1 67 ARG H 1 67 ARG HB3 3.920 . 3.920 3.072 2.914 3.209 . 0 0 "[ . 1 . 2]" 1
996 1 67 ARG H 1 67 ARG HG2 4.680 . 4.680 4.311 3.946 4.555 . 0 0 "[ . 1 . 2]" 1
997 1 67 ARG H 1 67 ARG QG 3.930 . 3.930 3.744 3.547 3.867 . 0 0 "[ . 1 . 2]" 1
998 1 67 ARG H 1 67 ARG HG3 4.680 . 4.680 4.166 3.751 4.457 . 0 0 "[ . 1 . 2]" 1
999 1 67 ARG H 1 68 TYR H 3.700 . 3.700 2.212 2.024 2.348 . 0 0 "[ . 1 . 2]" 1
1000 1 67 ARG H 1 68 TYR HB2 4.580 . 4.580 4.280 4.118 4.434 . 0 0 "[ . 1 . 2]" 1
1001 1 67 ARG H 1 68 TYR HE1 5.500 . 5.500 5.057 4.909 5.209 . 0 0 "[ . 1 . 2]" 1
1002 1 67 ARG HA 1 67 ARG HD2 4.590 . 4.590 4.219 3.880 4.418 . 0 0 "[ . 1 . 2]" 1
1003 1 67 ARG HA 1 67 ARG QD 4.000 . 4.000 3.686 2.497 4.012 0.012 17 0 "[ . 1 . 2]" 1
1004 1 67 ARG HA 1 67 ARG HD3 4.590 . 4.590 4.155 2.528 4.605 0.015 8 0 "[ . 1 . 2]" 1
1005 1 67 ARG HA 1 67 ARG HG2 3.820 . 3.820 2.375 2.195 2.519 . 0 0 "[ . 1 . 2]" 1
1006 1 67 ARG HA 1 67 ARG QG 3.230 . 3.230 2.256 2.159 2.465 . 0 0 "[ . 1 . 2]" 1
1007 1 67 ARG HA 1 67 ARG HG3 3.820 . 3.820 2.992 2.535 3.660 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ARG HA 1 68 TYR HD1 5.090 . 5.090 4.885 4.677 4.986 . 0 0 "[ . 1 . 2]" 1
1009 1 67 ARG HA 1 109 PHE HZ 5.090 . 5.090 4.297 3.951 4.724 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ARG HB2 1 67 ARG QD 3.560 . 3.560 3.125 2.941 3.331 . 0 0 "[ . 1 . 2]" 1
1011 1 67 ARG HB2 1 68 TYR H 3.990 . 3.990 3.725 3.489 3.876 . 0 0 "[ . 1 . 2]" 1
1012 1 67 ARG HB2 1 68 TYR HD1 4.320 . 4.320 4.189 3.875 4.329 0.009 18 0 "[ . 1 . 2]" 1
1013 1 67 ARG HB2 1 109 PHE HZ 4.360 . 4.360 4.315 4.112 4.371 0.011 20 0 "[ . 1 . 2]" 1
1014 1 67 ARG HB3 1 67 ARG QD 3.290 . 3.290 2.275 2.124 2.366 . 0 0 "[ . 1 . 2]" 1
1015 1 67 ARG HB3 1 68 TYR H 4.310 . 4.310 3.531 3.231 3.675 . 0 0 "[ . 1 . 2]" 1
1016 1 67 ARG HB3 1 68 TYR HD1 4.160 . 4.160 3.007 2.707 3.145 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ARG HB3 1 109 PHE HZ 4.680 . 4.680 2.656 2.380 2.889 . 0 0 "[ . 1 . 2]" 1
1018 1 67 ARG QD 1 68 TYR HD1 4.730 . 4.730 4.574 4.309 4.777 0.047 4 0 "[ . 1 . 2]" 1
1019 1 67 ARG QD 1 68 TYR HE1 5.120 . 5.120 4.909 4.206 5.183 0.063 12 0 "[ . 1 . 2]" 1
1020 1 67 ARG QD 1 102 THR MG 4.000 . 4.000 3.705 3.343 4.016 0.016 2 0 "[ . 1 . 2]" 1
1021 1 67 ARG QD 1 107 GLU HB2 5.010 . 5.010 4.528 4.178 5.015 0.005 12 0 "[ . 1 . 2]" 1
1022 1 67 ARG QD 1 107 GLU HB3 5.340 . 5.340 4.515 4.344 4.894 . 0 0 "[ . 1 . 2]" 1
1023 1 67 ARG QD 1 107 GLU HG2 4.350 . 4.350 2.592 2.325 2.997 . 0 0 "[ . 1 . 2]" 1
1024 1 67 ARG QD 1 109 PHE HE1 4.360 . 4.360 2.787 2.600 2.987 . 0 0 "[ . 1 . 2]" 1
1025 1 67 ARG HD2 1 102 THR MG 4.870 . 4.870 4.139 3.627 4.531 . 0 0 "[ . 1 . 2]" 1
1026 1 67 ARG HD3 1 102 THR MG 4.870 . 4.870 4.225 3.620 4.799 . 0 0 "[ . 1 . 2]" 1
1027 1 67 ARG QG 1 107 GLU HG2 4.220 . 4.220 3.784 3.073 4.238 0.018 20 0 "[ . 1 . 2]" 1
1028 1 67 ARG QG 1 109 PHE HE1 5.330 . 5.330 4.120 3.422 4.756 . 0 0 "[ . 1 . 2]" 1
1029 1 67 ARG QG 1 109 PHE HZ 4.460 . 4.460 3.201 2.356 4.004 . 0 0 "[ . 1 . 2]" 1
1030 1 68 TYR H 1 68 TYR HB2 3.460 . 3.460 2.359 2.323 2.416 . 0 0 "[ . 1 . 2]" 1
1031 1 68 TYR HA 1 68 TYR HD1 3.560 . 3.560 2.031 1.958 2.119 . 0 0 "[ . 1 . 2]" 1
1032 1 68 TYR HA 1 68 TYR HE1 4.520 . 4.520 4.428 4.336 4.513 . 0 0 "[ . 1 . 2]" 1
1033 1 68 TYR HA 1 69 PRO HA 4.490 . 4.490 4.379 4.346 4.401 . 0 0 "[ . 1 . 2]" 1
1034 1 68 TYR HA 1 69 PRO HD2 3.730 . 3.730 2.696 2.506 2.833 . 0 0 "[ . 1 . 2]" 1
1035 1 68 TYR HA 1 69 PRO HD3 3.620 . 3.620 2.289 2.137 2.600 . 0 0 "[ . 1 . 2]" 1
1036 1 68 TYR HA 1 69 PRO HG2 4.560 . 4.560 4.576 4.541 4.596 0.036 16 0 "[ . 1 . 2]" 1
1037 1 68 TYR HA 1 69 PRO HG3 4.620 . 4.620 4.368 4.197 4.652 0.032 18 0 "[ . 1 . 2]" 1
1038 1 68 TYR HA 1 117 MET HB3 5.230 . 5.230 5.241 5.222 5.258 0.028 18 0 "[ . 1 . 2]" 1
1039 1 68 TYR HA 1 117 MET ME 5.080 . 5.080 4.792 4.724 4.919 . 0 0 "[ . 1 . 2]" 1
1040 1 68 TYR HA 1 121 VAL MG2 4.520 . 4.520 4.468 4.426 4.522 0.002 11 0 "[ . 1 . 2]" 1
1041 1 68 TYR HA 1 124 MET ME 5.500 . 5.500 5.215 5.092 5.392 . 0 0 "[ . 1 . 2]" 1
1042 1 68 TYR HB2 1 68 TYR HD2 3.380 . 3.380 2.699 2.679 2.719 . 0 0 "[ . 1 . 2]" 1
1043 1 68 TYR HB2 1 120 VAL MG2 5.170 . 5.170 4.650 4.586 4.695 . 0 0 "[ . 1 . 2]" 1
1044 1 68 TYR HB2 1 124 MET ME 5.180 . 5.180 4.227 4.117 4.374 . 0 0 "[ . 1 . 2]" 1
1045 1 68 TYR HB3 1 68 TYR HD2 3.680 . 3.680 2.797 2.780 2.817 . 0 0 "[ . 1 . 2]" 1
1046 1 68 TYR HB3 1 69 PRO HD3 3.990 . 3.990 3.380 3.196 3.647 . 0 0 "[ . 1 . 2]" 1
1047 1 68 TYR HB3 1 117 MET HA 4.510 . 4.510 4.063 4.012 4.135 . 0 0 "[ . 1 . 2]" 1
1048 1 68 TYR HB3 1 117 MET HB3 5.500 . 5.500 4.904 4.847 4.948 . 0 0 "[ . 1 . 2]" 1
1049 1 68 TYR HB3 1 117 MET HG2 4.660 . 4.660 3.001 2.949 3.093 . 0 0 "[ . 1 . 2]" 1
1050 1 68 TYR HB3 1 120 VAL HB 4.310 . 4.310 4.286 4.212 4.320 0.010 19 0 "[ . 1 . 2]" 1
1051 1 68 TYR HB3 1 120 VAL MG1 4.030 . 4.030 2.920 2.853 2.994 . 0 0 "[ . 1 . 2]" 1
1052 1 68 TYR HB3 1 120 VAL MG2 5.490 . 5.490 4.440 4.373 4.516 . 0 0 "[ . 1 . 2]" 1
1053 1 68 TYR HB3 1 121 VAL MG2 4.400 . 4.400 3.447 3.413 3.484 . 0 0 "[ . 1 . 2]" 1
1054 1 68 TYR HB3 1 124 MET ME 4.120 . 4.120 3.513 3.396 3.649 . 0 0 "[ . 1 . 2]" 1
1055 1 68 TYR HD1 1 69 PRO HD2 4.250 . 4.250 4.210 4.033 4.271 0.021 16 0 "[ . 1 . 2]" 1
1056 1 68 TYR HD1 1 69 PRO HD3 4.360 . 4.360 3.936 3.657 4.360 . 0 0 "[ . 1 . 2]" 1
1057 1 68 TYR HD1 1 117 MET HB3 5.400 . 5.400 5.410 5.401 5.435 0.035 4 0 "[ . 1 . 2]" 1
1058 1 68 TYR HD1 1 117 MET ME 4.480 . 4.480 4.307 4.262 4.399 . 0 0 "[ . 1 . 2]" 1
1059 1 68 TYR HD1 1 117 MET HG2 4.980 . 4.980 3.125 3.091 3.170 . 0 0 "[ . 1 . 2]" 1
1060 1 68 TYR HD1 1 117 MET HG3 4.360 . 4.360 3.368 3.263 3.562 . 0 0 "[ . 1 . 2]" 1
1061 1 68 TYR HD2 1 69 PRO HD2 4.990 . 4.990 4.679 4.608 4.736 . 0 0 "[ . 1 . 2]" 1
1062 1 68 TYR HD2 1 117 MET HA 3.740 . 3.740 3.747 3.741 3.756 0.016 18 0 "[ . 1 . 2]" 1
1063 1 68 TYR HD2 1 120 VAL HB 3.990 . 3.990 3.393 3.332 3.440 . 0 0 "[ . 1 . 2]" 1
1064 1 68 TYR HD2 1 120 VAL MG1 3.490 . 3.490 2.471 2.357 2.599 . 0 0 "[ . 1 . 2]" 1
1065 1 68 TYR HD2 1 120 VAL MG2 3.450 . 3.450 2.482 2.424 2.579 . 0 0 "[ . 1 . 2]" 1
1066 1 68 TYR HD2 1 121 VAL MG2 4.660 . 4.660 4.646 4.596 4.673 0.013 19 0 "[ . 1 . 2]" 1
1067 1 68 TYR HD2 1 124 MET ME 4.740 . 4.740 4.676 4.580 4.779 0.039 4 0 "[ . 1 . 2]" 1
1068 1 68 TYR HE1 1 109 PHE HD2 3.520 . 3.520 3.005 2.890 3.100 . 0 0 "[ . 1 . 2]" 1
1069 1 68 TYR HE1 1 113 ASP HA 3.850 . 3.850 3.527 3.266 3.775 . 0 0 "[ . 1 . 2]" 1
1070 1 68 TYR HE1 1 113 ASP HB3 3.870 . 3.870 3.494 3.096 3.705 . 0 0 "[ . 1 . 2]" 1
1071 1 68 TYR HE1 1 117 MET ME 3.970 . 3.970 3.984 3.975 3.992 0.022 4 0 "[ . 1 . 2]" 1
1072 1 68 TYR HE1 1 117 MET HG2 5.040 . 5.040 3.929 3.843 3.985 . 0 0 "[ . 1 . 2]" 1
1073 1 68 TYR HE2 1 116 MET HB2 3.960 . 3.960 2.605 2.518 2.699 . 0 0 "[ . 1 . 2]" 1
1074 1 68 TYR HE2 1 116 MET HB3 3.580 . 3.580 2.316 2.259 2.373 . 0 0 "[ . 1 . 2]" 1
1075 1 68 TYR HE2 1 116 MET ME 5.130 . 5.130 5.080 5.040 5.132 0.002 18 0 "[ . 1 . 2]" 1
1076 1 68 TYR HE2 1 116 MET QG 4.600 . 4.600 3.484 3.428 3.583 . 0 0 "[ . 1 . 2]" 1
1077 1 68 TYR HE2 1 120 VAL HB 4.310 . 4.310 4.300 4.196 4.319 0.009 15 0 "[ . 1 . 2]" 1
1078 1 68 TYR HE2 1 120 VAL MG1 4.570 . 4.570 4.298 4.188 4.391 . 0 0 "[ . 1 . 2]" 1
1079 1 68 TYR HE2 1 120 VAL MG2 3.550 . 3.550 3.043 2.916 3.160 . 0 0 "[ . 1 . 2]" 1
1080 1 69 PRO HA 1 70 ASN H 3.530 . 3.530 2.332 2.262 2.399 . 0 0 "[ . 1 . 2]" 1
1081 1 69 PRO HA 1 70 ASN QB 4.310 . 4.310 4.172 3.979 4.357 0.047 4 0 "[ . 1 . 2]" 1
1082 1 69 PRO HA 1 71 GLN H 3.950 . 3.950 3.794 3.692 3.908 . 0 0 "[ . 1 . 2]" 1
1083 1 69 PRO HA 1 98 HIS HB2 5.290 . 5.290 4.612 4.361 4.887 . 0 0 "[ . 1 . 2]" 1
1084 1 69 PRO HA 1 124 MET ME 4.940 . 4.940 4.596 4.415 4.825 . 0 0 "[ . 1 . 2]" 1
1085 1 69 PRO HB2 1 70 ASN H 4.310 . 4.310 3.249 2.833 3.454 . 0 0 "[ . 1 . 2]" 1
1086 1 69 PRO HB2 1 71 GLN H 4.000 . 4.000 2.875 2.460 3.441 . 0 0 "[ . 1 . 2]" 1
1087 1 69 PRO HB2 1 94 THR MG 3.240 . 3.240 2.830 2.772 2.879 . 0 0 "[ . 1 . 2]" 1
1088 1 69 PRO HB2 1 121 VAL HA 5.170 . 5.170 4.539 4.059 5.199 0.029 18 0 "[ . 1 . 2]" 1
1089 1 69 PRO HB2 1 121 VAL MG1 3.740 . 3.740 3.290 2.929 3.758 0.018 18 0 "[ . 1 . 2]" 1
1090 1 69 PRO HB2 1 121 VAL MG2 3.840 . 3.840 3.077 2.561 3.813 . 0 0 "[ . 1 . 2]" 1
1091 1 69 PRO HB2 1 124 MET ME 3.540 . 3.540 2.784 2.271 3.581 0.041 18 0 "[ . 1 . 2]" 1
1092 1 69 PRO HB3 1 71 GLN H 4.080 . 4.080 3.424 3.069 4.019 . 0 0 "[ . 1 . 2]" 1
1093 1 69 PRO HB3 1 94 THR MG 3.670 . 3.670 2.658 2.417 2.931 . 0 0 "[ . 1 . 2]" 1
1094 1 69 PRO HB3 1 98 HIS HB3 4.700 . 4.700 4.465 3.790 4.705 0.005 16 0 "[ . 1 . 2]" 1
1095 1 69 PRO HB3 1 121 VAL MG1 4.410 . 4.410 4.078 3.683 4.439 0.029 18 0 "[ . 1 . 2]" 1
1096 1 69 PRO HB3 1 121 VAL MG2 4.120 . 4.120 3.980 3.747 4.161 0.041 18 0 "[ . 1 . 2]" 1
1097 1 69 PRO HD2 1 94 THR MG 4.730 . 4.730 4.344 4.277 4.442 . 0 0 "[ . 1 . 2]" 1
1098 1 69 PRO HD2 1 117 MET HA 4.890 . 4.890 4.205 4.129 4.308 . 0 0 "[ . 1 . 2]" 1
1099 1 69 PRO HD2 1 117 MET HB3 3.960 . 3.960 3.913 3.793 3.966 0.006 18 0 "[ . 1 . 2]" 1
1100 1 69 PRO HD2 1 117 MET HG3 4.900 . 4.900 4.641 4.546 4.794 . 0 0 "[ . 1 . 2]" 1
1101 1 69 PRO HD2 1 121 VAL MG1 4.430 . 4.430 4.159 4.052 4.337 . 0 0 "[ . 1 . 2]" 1
1102 1 69 PRO HD2 1 121 VAL MG2 4.270 . 4.270 2.343 2.244 2.519 . 0 0 "[ . 1 . 2]" 1
1103 1 69 PRO HD2 1 124 MET ME 4.440 . 4.440 3.412 3.158 3.793 . 0 0 "[ . 1 . 2]" 1
1104 1 69 PRO HD3 1 95 ILE MD 5.450 . 5.450 5.286 5.194 5.419 . 0 0 "[ . 1 . 2]" 1
1105 1 69 PRO HD3 1 95 ILE HG13 4.710 . 4.710 4.727 4.713 4.743 0.033 18 0 "[ . 1 . 2]" 1
1106 1 69 PRO HD3 1 117 MET HB3 4.520 . 4.520 4.351 4.135 4.534 0.014 18 0 "[ . 1 . 2]" 1
1107 1 69 PRO HD3 1 117 MET HG3 5.300 . 5.300 4.763 4.495 5.257 . 0 0 "[ . 1 . 2]" 1
1108 1 69 PRO HD3 1 121 VAL MG1 4.900 . 4.900 4.792 4.623 4.889 . 0 0 "[ . 1 . 2]" 1
1109 1 69 PRO HD3 1 121 VAL MG2 4.390 . 4.390 3.315 3.252 3.365 . 0 0 "[ . 1 . 2]" 1
1110 1 69 PRO HD3 1 124 MET ME 5.500 . 5.500 4.719 4.570 4.931 . 0 0 "[ . 1 . 2]" 1
1111 1 69 PRO HG2 1 121 VAL MG2 2.910 . 2.910 1.926 1.880 1.955 . 0 0 "[ . 1 . 2]" 1
1112 1 69 PRO HG3 1 95 ILE HG12 4.430 . 4.430 4.436 4.391 4.447 0.017 17 0 "[ . 1 . 2]" 1
1113 1 69 PRO HG3 1 98 HIS HB2 4.940 . 4.940 2.971 2.576 3.715 . 0 0 "[ . 1 . 2]" 1
1114 1 69 PRO HG3 1 98 HIS HB3 4.560 . 4.560 3.271 2.808 4.087 . 0 0 "[ . 1 . 2]" 1
1115 1 69 PRO HG3 1 121 VAL MG1 3.870 . 3.870 3.596 2.880 3.913 0.043 13 0 "[ . 1 . 2]" 1
1116 1 69 PRO HG3 1 121 VAL MG2 3.620 . 3.620 2.990 2.304 3.320 . 0 0 "[ . 1 . 2]" 1
1117 1 69 PRO HG3 1 124 MET ME 4.520 . 4.520 4.421 3.965 4.658 0.138 16 0 "[ . 1 . 2]" 1
1118 1 70 ASN H 1 70 ASN QB 3.640 . 3.640 2.368 2.182 2.489 . 0 0 "[ . 1 . 2]" 1
1119 1 70 ASN H 1 71 GLN H 3.450 . 3.450 2.088 1.963 2.234 . 0 0 "[ . 1 . 2]" 1
1120 1 70 ASN HA 1 71 GLN HG3 4.210 . 4.210 4.239 4.216 4.265 0.055 18 0 "[ . 1 . 2]" 1
1121 1 70 ASN HA 1 124 MET ME 3.390 . 3.390 3.383 3.203 3.435 0.045 20 0 "[ . 1 . 2]" 1
1122 1 70 ASN QB 1 71 GLN HE21 4.680 . 4.680 4.066 2.782 4.712 0.032 19 0 "[ . 1 . 2]" 1
1123 1 70 ASN QB 1 71 GLN HG2 4.530 . 4.530 3.804 3.420 3.923 . 0 0 "[ . 1 . 2]" 1
1124 1 70 ASN QB 1 124 MET ME 5.340 . 5.340 4.937 4.838 4.998 . 0 0 "[ . 1 . 2]" 1
1125 1 70 ASN HB2 1 71 GLN HG3 4.380 . 4.380 3.428 2.578 4.047 . 0 0 "[ . 1 . 2]" 1
1126 1 70 ASN HB3 1 71 GLN HG3 4.380 . 4.380 2.530 2.206 3.057 . 0 0 "[ . 1 . 2]" 1
1127 1 71 GLN H 1 71 GLN HG3 4.700 . 4.700 3.141 3.092 3.208 . 0 0 "[ . 1 . 2]" 1
1128 1 71 GLN H 1 72 VAL MG1 4.550 . 4.550 4.532 4.432 4.570 0.020 5 0 "[ . 1 . 2]" 1
1129 1 71 GLN H 1 121 VAL MG1 5.150 . 5.150 4.983 4.787 5.160 0.010 20 0 "[ . 1 . 2]" 1
1130 1 71 GLN HA 1 71 GLN HG3 3.240 . 3.240 3.057 2.976 3.140 . 0 0 "[ . 1 . 2]" 1
1131 1 71 GLN HA 1 72 VAL MG2 4.060 . 4.060 3.492 3.351 3.591 . 0 0 "[ . 1 . 2]" 1
1132 1 71 GLN HA 1 124 MET HB3 3.570 . 3.570 3.562 3.485 3.577 0.007 20 0 "[ . 1 . 2]" 1
1133 1 71 GLN HB2 1 71 GLN HE21 4.740 . 4.740 2.268 1.789 3.489 . 0 0 "[ . 1 . 2]" 1
1134 1 71 GLN HB2 1 72 VAL H 4.070 . 4.070 3.532 3.371 3.647 . 0 0 "[ . 1 . 2]" 1
1135 1 71 GLN HB2 1 128 GLN HE22 5.080 . 5.080 4.775 4.449 5.049 . 0 0 "[ . 1 . 2]" 1
1136 1 71 GLN HB3 1 71 GLN HE21 4.400 . 4.400 3.092 2.256 4.381 . 0 0 "[ . 1 . 2]" 1
1137 1 71 GLN HB3 1 72 VAL MG2 4.000 . 4.000 4.031 4.006 4.106 0.106 18 0 "[ . 1 . 2]" 1
1138 1 71 GLN HB3 1 128 GLN HE22 4.340 . 4.340 3.089 2.761 3.346 . 0 0 "[ . 1 . 2]" 1
1139 1 71 GLN HG2 1 128 GLN HE22 4.560 . 4.560 4.287 3.934 4.564 0.004 4 0 "[ . 1 . 2]" 1
1140 1 72 VAL H 1 72 VAL MG1 3.950 . 3.950 3.109 3.013 3.210 . 0 0 "[ . 1 . 2]" 1
1141 1 72 VAL H 1 72 VAL MG2 3.800 . 3.800 2.038 1.969 2.129 . 0 0 "[ . 1 . 2]" 1
1142 1 72 VAL H 1 124 MET HB3 5.390 . 5.390 4.175 3.996 4.318 . 0 0 "[ . 1 . 2]" 1
1143 1 72 VAL H 1 125 CYS HA 5.500 . 5.500 5.210 5.041 5.299 . 0 0 "[ . 1 . 2]" 1
1144 1 72 VAL HA 1 72 VAL MG1 3.470 . 3.470 2.241 2.224 2.255 . 0 0 "[ . 1 . 2]" 1
1145 1 72 VAL HA 1 72 VAL MG2 3.610 . 3.610 3.199 3.166 3.220 . 0 0 "[ . 1 . 2]" 1
1146 1 72 VAL HA 1 73 TYR HE1 4.520 . 4.520 4.497 4.396 4.526 0.006 11 0 "[ . 1 . 2]" 1
1147 1 72 VAL HA 1 94 THR MG 3.360 . 3.360 2.233 2.175 2.283 . 0 0 "[ . 1 . 2]" 1
1148 1 72 VAL HB 1 73 TYR H 3.920 . 3.920 2.277 2.211 2.319 . 0 0 "[ . 1 . 2]" 1
1149 1 72 VAL HB 1 73 TYR HD1 4.570 . 4.570 4.530 4.383 4.574 0.004 10 0 "[ . 1 . 2]" 1
1150 1 72 VAL HB 1 91 VAL HA 4.770 . 4.770 4.334 4.098 4.429 . 0 0 "[ . 1 . 2]" 1
1151 1 72 VAL HB 1 94 THR HB 4.510 . 4.510 4.451 4.238 4.512 0.002 13 0 "[ . 1 . 2]" 1
1152 1 72 VAL HB 1 94 THR MG 3.960 . 3.960 3.866 3.736 3.946 . 0 0 "[ . 1 . 2]" 1
1153 1 72 VAL HB 1 121 VAL MG1 4.390 . 4.390 3.821 3.644 3.890 . 0 0 "[ . 1 . 2]" 1
1154 1 72 VAL HB 1 128 GLN HE22 4.910 . 4.910 4.908 4.821 4.927 0.017 18 0 "[ . 1 . 2]" 1
1155 1 72 VAL MG1 1 73 TYR HD1 4.670 . 4.670 4.614 4.483 4.676 0.006 1 0 "[ . 1 . 2]" 1
1156 1 72 VAL MG1 1 90 CYS HA 4.490 . 4.490 4.456 4.368 4.534 0.044 18 0 "[ . 1 . 2]" 1
1157 1 72 VAL MG1 1 90 CYS HB2 4.490 . 4.490 4.447 4.301 4.532 0.042 18 0 "[ . 1 . 2]" 1
1158 1 72 VAL MG1 1 90 CYS HB3 4.210 . 4.210 3.013 2.847 3.141 . 0 0 "[ . 1 . 2]" 1
1159 1 72 VAL MG1 1 91 VAL H 3.970 . 3.970 4.012 3.983 4.074 0.104 18 0 "[ . 1 . 2]" 1
1160 1 72 VAL MG1 1 91 VAL HA 3.510 . 3.510 3.052 2.857 3.159 . 0 0 "[ . 1 . 2]" 1
1161 1 72 VAL MG1 1 93 ILE MG 5.500 . 5.500 5.415 5.273 5.503 0.003 18 0 "[ . 1 . 2]" 1
1162 1 72 VAL MG1 1 94 THR HB 3.430 . 3.430 3.022 2.806 3.164 . 0 0 "[ . 1 . 2]" 1
1163 1 72 VAL MG1 1 94 THR MG 2.920 . 2.920 2.230 2.096 2.311 . 0 0 "[ . 1 . 2]" 1
1164 1 72 VAL MG1 1 121 VAL HA 3.780 . 3.780 3.137 3.053 3.207 . 0 0 "[ . 1 . 2]" 1
1165 1 72 VAL MG1 1 121 VAL HB 4.040 . 4.040 4.037 3.991 4.068 0.028 16 0 "[ . 1 . 2]" 1
1166 1 72 VAL MG1 1 121 VAL MG1 2.950 . 2.950 1.877 1.826 1.903 . 0 0 "[ . 1 . 2]" 1
1167 1 72 VAL MG1 1 124 MET H 4.180 . 4.180 3.988 3.914 4.031 . 0 0 "[ . 1 . 2]" 1
1168 1 72 VAL MG1 1 124 MET HB2 2.890 . 2.890 2.452 2.401 2.542 . 0 0 "[ . 1 . 2]" 1
1169 1 72 VAL MG1 1 124 MET HB3 4.410 . 4.410 2.957 2.863 3.127 . 0 0 "[ . 1 . 2]" 1
1170 1 72 VAL MG1 1 124 MET ME 3.550 . 3.550 3.407 3.103 3.598 0.048 6 0 "[ . 1 . 2]" 1
1171 1 72 VAL MG1 1 124 MET HG2 5.210 . 5.210 4.781 4.609 4.926 . 0 0 "[ . 1 . 2]" 1
1172 1 72 VAL MG1 1 124 MET HG3 4.890 . 4.890 4.502 4.371 4.606 . 0 0 "[ . 1 . 2]" 1
1173 1 72 VAL MG1 1 125 CYS H 4.260 . 4.260 2.942 2.796 3.155 . 0 0 "[ . 1 . 2]" 1
1174 1 72 VAL MG1 1 125 CYS HA 4.510 . 4.510 3.582 3.407 3.821 . 0 0 "[ . 1 . 2]" 1
1175 1 72 VAL MG2 1 74 TYR HB3 4.400 . 4.400 3.739 3.370 3.972 . 0 0 "[ . 1 . 2]" 1
1176 1 72 VAL MG2 1 74 TYR HD1 3.590 . 3.590 2.613 2.339 3.158 . 0 0 "[ . 1 . 2]" 1
1177 1 72 VAL MG2 1 74 TYR HE1 4.060 . 4.060 3.336 2.832 3.946 . 0 0 "[ . 1 . 2]" 1
1178 1 72 VAL MG2 1 90 CYS HA 4.760 . 4.760 4.532 4.301 4.703 . 0 0 "[ . 1 . 2]" 1
1179 1 72 VAL MG2 1 90 CYS HB3 4.290 . 4.290 3.667 3.391 3.884 . 0 0 "[ . 1 . 2]" 1
1180 1 72 VAL MG2 1 91 VAL H 5.310 . 5.310 5.275 5.084 5.345 0.035 16 0 "[ . 1 . 2]" 1
1181 1 72 VAL MG2 1 94 THR MG 4.870 . 4.870 4.306 4.183 4.385 . 0 0 "[ . 1 . 2]" 1
1182 1 72 VAL MG2 1 121 VAL MG1 4.250 . 4.250 4.049 3.949 4.107 . 0 0 "[ . 1 . 2]" 1
1183 1 72 VAL MG2 1 124 MET HB2 3.830 . 3.830 3.499 3.105 3.677 . 0 0 "[ . 1 . 2]" 1
1184 1 72 VAL MG2 1 124 MET HB3 3.980 . 3.980 2.982 2.553 3.238 . 0 0 "[ . 1 . 2]" 1
1185 1 72 VAL MG2 1 124 MET ME 4.990 . 4.990 4.861 4.519 5.030 0.040 15 0 "[ . 1 . 2]" 1
1186 1 72 VAL MG2 1 124 MET HG2 5.500 . 5.500 5.121 4.726 5.371 . 0 0 "[ . 1 . 2]" 1
1187 1 72 VAL MG2 1 125 CYS HA 3.270 . 3.270 2.132 2.061 2.236 . 0 0 "[ . 1 . 2]" 1
1188 1 72 VAL MG2 1 125 CYS HB2 4.120 . 4.120 2.455 2.216 2.594 . 0 0 "[ . 1 . 2]" 1
1189 1 72 VAL MG2 1 125 CYS HB3 4.660 . 4.660 3.753 3.628 3.829 . 0 0 "[ . 1 . 2]" 1
1190 1 72 VAL MG2 1 128 GLN H 4.900 . 4.900 4.380 4.281 4.592 . 0 0 "[ . 1 . 2]" 1
1191 1 72 VAL MG2 1 128 GLN HB2 3.620 . 3.620 3.172 2.993 3.549 . 0 0 "[ . 1 . 2]" 1
1192 1 72 VAL MG2 1 128 GLN HE22 3.960 . 3.960 2.405 2.328 2.481 . 0 0 "[ . 1 . 2]" 1
1193 1 72 VAL MG2 1 128 GLN HG2 4.810 . 4.810 4.117 3.899 4.436 . 0 0 "[ . 1 . 2]" 1
1194 1 73 TYR H 1 94 THR HB 4.350 . 4.350 4.290 4.232 4.352 0.002 2 0 "[ . 1 . 2]" 1
1195 1 73 TYR H 1 94 THR MG 3.890 . 3.890 3.644 3.553 3.757 . 0 0 "[ . 1 . 2]" 1
1196 1 73 TYR H 1 121 VAL MG1 4.710 . 4.710 4.654 4.608 4.709 . 0 0 "[ . 1 . 2]" 1
1197 1 73 TYR HA 1 73 TYR HD2 3.940 . 3.940 3.188 3.153 3.226 . 0 0 "[ . 1 . 2]" 1
1198 1 73 TYR HA 1 73 TYR HE2 5.250 . 5.250 5.238 5.211 5.254 0.004 8 0 "[ . 1 . 2]" 1
1199 1 73 TYR HA 1 74 TYR HA 4.550 . 4.550 4.511 4.481 4.537 . 0 0 "[ . 1 . 2]" 1
1200 1 73 TYR HA 1 74 TYR HB3 5.080 . 5.080 4.522 4.377 4.605 . 0 0 "[ . 1 . 2]" 1
1201 1 73 TYR HA 1 74 TYR HD1 4.410 . 4.410 3.110 3.037 3.189 . 0 0 "[ . 1 . 2]" 1
1202 1 73 TYR HA 1 93 ILE MG 4.790 . 4.790 4.727 4.667 4.789 . 0 0 "[ . 1 . 2]" 1
1203 1 73 TYR HA 1 128 GLN HE22 5.500 . 5.500 5.195 4.849 5.392 . 0 0 "[ . 1 . 2]" 1
1204 1 73 TYR QB 1 74 TYR H 4.090 . 4.090 3.010 2.953 3.074 . 0 0 "[ . 1 . 2]" 1
1205 1 73 TYR QB 1 93 ILE HB 4.220 . 4.220 3.583 3.521 3.634 . 0 0 "[ . 1 . 2]" 1
1206 1 73 TYR QB 1 93 ILE HG12 4.730 . 4.730 4.463 4.384 4.503 . 0 0 "[ . 1 . 2]" 1
1207 1 73 TYR QB 1 93 ILE HG13 5.500 . 5.500 4.974 4.861 5.075 . 0 0 "[ . 1 . 2]" 1
1208 1 73 TYR QB 1 93 ILE MG . . 3.200 2.181 2.124 2.240 . 0 0 "[ . 1 . 2]" 1
1209 1 73 TYR QB 1 94 THR H 4.610 . 4.610 4.196 4.152 4.283 . 0 0 "[ . 1 . 2]" 1
1210 1 73 TYR QB 1 94 THR HA 4.470 . 4.470 4.194 4.113 4.262 . 0 0 "[ . 1 . 2]" 1
1211 1 73 TYR HD1 1 91 VAL HA 5.500 . 5.500 5.525 5.508 5.567 0.067 18 0 "[ . 1 . 2]" 1
1212 1 73 TYR HD1 1 93 ILE MG 3.490 . 3.490 2.261 2.199 2.307 . 0 0 "[ . 1 . 2]" 1
1213 1 73 TYR HD1 1 94 THR H 4.620 . 4.620 3.347 3.327 3.367 . 0 0 "[ . 1 . 2]" 1
1214 1 73 TYR HD1 1 94 THR HA 3.730 . 3.730 2.069 2.002 2.124 . 0 0 "[ . 1 . 2]" 1
1215 1 73 TYR HD1 1 94 THR MG 3.490 . 3.490 3.022 2.949 3.143 . 0 0 "[ . 1 . 2]" 1
1216 1 73 TYR HD1 1 97 GLN HB2 4.290 . 4.290 4.251 4.159 4.293 0.003 4 0 "[ . 1 . 2]" 1
1217 1 73 TYR HD1 1 97 GLN HG3 4.550 . 4.550 4.558 4.551 4.570 0.020 18 0 "[ . 1 . 2]" 1
1218 1 73 TYR HD1 1 121 VAL MG1 5.180 . 5.180 5.051 4.996 5.100 . 0 0 "[ . 1 . 2]" 1
1219 1 73 TYR HD2 1 74 TYR H 4.560 . 4.560 4.545 4.478 4.570 0.010 16 0 "[ . 1 . 2]" 1
1220 1 73 TYR HE1 1 93 ILE MG 4.100 . 4.100 3.731 3.666 3.799 . 0 0 "[ . 1 . 2]" 1
1221 1 73 TYR HE1 1 94 THR H 4.900 . 4.900 4.904 4.900 4.909 0.009 8 0 "[ . 1 . 2]" 1
1222 1 73 TYR HE1 1 94 THR HA 3.580 . 3.580 2.207 2.193 2.222 . 0 0 "[ . 1 . 2]" 1
1223 1 73 TYR HE1 1 94 THR MG 3.520 . 3.520 2.595 2.511 2.721 . 0 0 "[ . 1 . 2]" 1
1224 1 73 TYR HE1 1 97 GLN HA 5.500 . 5.500 5.435 5.373 5.501 0.001 8 0 "[ . 1 . 2]" 1
1225 1 73 TYR HE1 1 97 GLN HB2 3.840 . 3.840 2.423 2.356 2.486 . 0 0 "[ . 1 . 2]" 1
1226 1 73 TYR HE1 1 97 GLN HG2 3.690 . 3.690 3.337 3.269 3.423 . 0 0 "[ . 1 . 2]" 1
1227 1 73 TYR HE1 1 97 GLN HG3 3.980 . 3.980 3.778 3.692 3.869 . 0 0 "[ . 1 . 2]" 1
1228 1 74 TYR HA 1 74 TYR HD1 4.270 . 4.270 4.112 4.076 4.166 . 0 0 "[ . 1 . 2]" 1
1229 1 74 TYR HA 1 74 TYR HD2 4.860 . 4.860 4.419 4.347 4.471 . 0 0 "[ . 1 . 2]" 1
1230 1 74 TYR HB2 1 86 PHE HD1 4.200 . 4.200 3.274 3.079 3.426 . 0 0 "[ . 1 . 2]" 1
1231 1 74 TYR HD2 1 76 PRO HA 4.280 . 4.280 3.508 3.210 3.807 . 0 0 "[ . 1 . 2]" 1
1232 1 74 TYR HD2 1 77 MET ME 4.600 . 4.600 4.616 4.550 4.639 0.039 12 0 "[ . 1 . 2]" 1
1233 1 74 TYR HD2 1 86 PHE HD1 3.990 . 3.990 3.073 2.882 3.218 . 0 0 "[ . 1 . 2]" 1
1234 1 74 TYR HD2 1 132 GLU HB2 4.270 . 4.270 4.246 4.028 4.280 0.010 13 0 "[ . 1 . 2]" 1
1235 1 74 TYR HE1 1 128 GLN HA 5.500 . 5.500 5.516 5.504 5.539 0.039 4 0 "[ . 1 . 2]" 1
1236 1 74 TYR HE1 1 128 GLN HB3 4.490 . 4.490 3.645 3.525 3.950 . 0 0 "[ . 1 . 2]" 1
1237 1 74 TYR HE1 1 128 GLN HG3 4.670 . 4.670 4.456 4.306 4.683 0.013 18 0 "[ . 1 . 2]" 1
1238 1 74 TYR HE2 1 76 PRO HA 3.710 . 3.710 3.397 3.120 3.663 . 0 0 "[ . 1 . 2]" 1
1239 1 74 TYR HE2 1 76 PRO HB3 5.300 . 5.300 4.920 4.458 5.301 0.001 19 0 "[ . 1 . 2]" 1
1240 1 74 TYR HE2 1 86 PHE HD1 4.970 . 4.970 4.818 4.578 4.971 0.001 1 0 "[ . 1 . 2]" 1
1241 1 74 TYR HE2 1 129 TYR HA 5.500 . 5.500 5.510 5.501 5.538 0.038 18 0 "[ . 1 . 2]" 1
1242 1 74 TYR HE2 1 132 GLU HA 4.470 . 4.470 4.346 4.204 4.401 . 0 0 "[ . 1 . 2]" 1
1243 1 74 TYR HE2 1 132 GLU HB2 3.860 . 3.860 2.296 2.159 2.361 . 0 0 "[ . 1 . 2]" 1
1244 1 74 TYR HE2 1 132 GLU HB3 3.770 . 3.770 3.343 3.230 3.418 . 0 0 "[ . 1 . 2]" 1
1245 1 74 TYR HE2 1 132 GLU HG2 3.680 . 3.680 2.213 2.077 2.316 . 0 0 "[ . 1 . 2]" 1
1246 1 76 PRO HA 1 77 MET HG2 3.920 . 3.920 3.767 3.601 3.878 . 0 0 "[ . 1 . 2]" 1
1247 1 76 PRO HA 1 132 GLU HB3 4.310 . 4.310 4.314 4.310 4.324 0.014 18 0 "[ . 1 . 2]" 1
1248 1 76 PRO HA 1 135 ALA MB 4.750 . 4.750 4.750 4.645 4.787 0.037 4 0 "[ . 1 . 2]" 1
1249 1 76 PRO HB2 1 77 MET H 4.200 . 4.200 2.722 2.492 3.335 . 0 0 "[ . 1 . 2]" 1
1250 1 77 MET H 1 77 MET HG2 3.800 . 3.800 2.157 2.051 2.280 . 0 0 "[ . 1 . 2]" 1
1251 1 77 MET H 1 77 MET HG3 4.070 . 4.070 3.599 3.535 3.688 . 0 0 "[ . 1 . 2]" 1
1252 1 77 MET H 1 132 GLU HB3 5.050 . 5.050 3.792 3.550 4.041 . 0 0 "[ . 1 . 2]" 1
1253 1 77 MET H 1 132 GLU HG2 4.020 . 4.020 2.605 2.363 2.950 . 0 0 "[ . 1 . 2]" 1
1254 1 77 MET H 1 132 GLU HG3 4.470 . 4.470 2.256 2.048 2.637 . 0 0 "[ . 1 . 2]" 1
1255 1 77 MET HA 1 77 MET HB3 2.580 . 2.580 2.458 2.425 2.516 . 0 0 "[ . 1 . 2]" 1
1256 1 77 MET HA 1 77 MET ME 4.370 . 4.370 4.166 4.016 4.329 . 0 0 "[ . 1 . 2]" 1
1257 1 77 MET HA 1 77 MET HG2 3.790 . 3.790 3.159 3.069 3.249 . 0 0 "[ . 1 . 2]" 1
1258 1 77 MET HA 1 136 TYR QD 4.870 . 4.870 4.705 4.543 4.822 . 0 0 "[ . 1 . 2]" 1
1259 1 77 MET HB2 1 133 SER HA 4.120 . 4.120 3.881 3.678 4.045 . 0 0 "[ . 1 . 2]" 1
1260 1 77 MET HB2 1 136 TYR HB2 5.500 . 5.500 4.213 4.001 4.418 . 0 0 "[ . 1 . 2]" 1
1261 1 77 MET HB2 1 136 TYR QD 4.640 . 4.640 2.455 2.257 2.564 . 0 0 "[ . 1 . 2]" 1
1262 1 77 MET HB3 1 77 MET ME 3.880 . 3.880 3.864 3.763 3.903 0.023 1 0 "[ . 1 . 2]" 1
1263 1 77 MET HB3 1 133 SER HA 4.680 . 4.680 4.060 3.891 4.178 . 0 0 "[ . 1 . 2]" 1
1264 1 77 MET HB3 1 136 TYR H 4.380 . 4.380 4.241 3.803 4.388 0.008 1 0 "[ . 1 . 2]" 1
1265 1 77 MET HB3 1 136 TYR HB2 4.600 . 4.600 4.211 4.018 4.364 . 0 0 "[ . 1 . 2]" 1
1266 1 77 MET HB3 1 136 TYR QD 4.340 . 4.340 2.412 2.186 2.537 . 0 0 "[ . 1 . 2]" 1
1267 1 77 MET HB3 1 136 TYR HE2 4.210 . 4.210 4.179 3.934 4.219 0.009 19 0 "[ . 1 . 2]" 1
1268 1 77 MET ME 1 77 MET HG3 3.600 . 3.600 2.321 2.239 2.373 . 0 0 "[ . 1 . 2]" 1
1269 1 77 MET ME 1 81 SER QB 4.930 . 4.930 4.492 3.447 5.019 0.089 18 0 "[ . 1 . 2]" 1
1270 1 77 MET ME 1 86 PHE HB2 3.630 . 3.630 3.623 3.492 3.650 0.020 4 0 "[ . 1 . 2]" 1
1271 1 77 MET ME 1 86 PHE HB3 4.060 . 4.060 3.921 3.737 4.069 0.009 15 0 "[ . 1 . 2]" 1
1272 1 77 MET ME 1 86 PHE HD1 4.150 . 4.150 3.378 3.254 3.455 . 0 0 "[ . 1 . 2]" 1
1273 1 77 MET ME 1 86 PHE HZ 4.560 . 4.560 3.664 3.509 3.846 . 0 0 "[ . 1 . 2]" 1
1274 1 77 MET ME 1 129 TYR HD1 3.640 . 3.640 3.097 2.931 3.200 . 0 0 "[ . 1 . 2]" 1
1275 1 77 MET ME 1 129 TYR HD2 4.860 . 4.860 3.474 3.160 3.783 . 0 0 "[ . 1 . 2]" 1
1276 1 77 MET ME 1 129 TYR HE1 3.260 . 3.260 3.146 2.974 3.271 0.011 4 0 "[ . 1 . 2]" 1
1277 1 77 MET ME 1 132 GLU HA 4.960 . 4.960 4.687 4.603 4.765 . 0 0 "[ . 1 . 2]" 1
1278 1 77 MET ME 1 132 GLU HB2 3.690 . 3.690 3.494 3.339 3.647 . 0 0 "[ . 1 . 2]" 1
1279 1 77 MET ME 1 132 GLU HB3 2.930 . 2.930 2.202 2.092 2.302 . 0 0 "[ . 1 . 2]" 1
1280 1 77 MET ME 1 132 GLU HG2 4.150 . 4.150 3.750 3.616 3.869 . 0 0 "[ . 1 . 2]" 1
1281 1 77 MET ME 1 133 SER HA 3.070 . 3.070 2.929 2.855 2.991 . 0 0 "[ . 1 . 2]" 1
1282 1 77 MET ME 1 133 SER QB . . 3.400 2.645 2.443 2.856 . 0 0 "[ . 1 . 2]" 1
1283 1 77 MET ME 1 136 TYR QD 3.920 . 3.920 3.909 3.862 3.937 0.017 16 0 "[ . 1 . 2]" 1
1284 1 77 MET ME 1 136 TYR HE2 3.420 . 3.420 3.454 3.425 3.482 0.062 18 0 "[ . 1 . 2]" 1
1285 1 77 MET HG2 1 78 ASP H 4.330 . 4.330 4.317 4.079 4.352 0.022 4 0 "[ . 1 . 2]" 1
1286 1 77 MET HG2 1 132 GLU HA 4.160 . 4.160 4.168 4.162 4.182 0.022 18 0 "[ . 1 . 2]" 1
1287 1 77 MET HG2 1 132 GLU HB3 2.840 . 2.840 2.287 2.127 2.395 . 0 0 "[ . 1 . 2]" 1
1288 1 77 MET HG2 1 132 GLU HG2 3.320 . 3.320 2.715 2.589 2.823 . 0 0 "[ . 1 . 2]" 1
1289 1 77 MET HG2 1 135 ALA MB 3.940 . 3.940 3.895 3.786 3.962 0.022 13 0 "[ . 1 . 2]" 1
1290 1 77 MET HG2 1 136 TYR QD 3.970 . 3.970 3.662 3.502 3.825 . 0 0 "[ . 1 . 2]" 1
1291 1 77 MET HG3 1 135 ALA MB 4.440 . 4.440 4.174 4.007 4.305 . 0 0 "[ . 1 . 2]" 1
1292 1 78 ASP HA 1 78 ASP HB2 2.940 . 2.940 2.773 2.480 2.991 0.051 18 0 "[ . 1 . 2]" 1
1293 1 78 ASP HA 1 78 ASP HB3 2.940 . 2.940 2.750 2.418 2.974 0.034 3 0 "[ . 1 . 2]" 1
1294 1 81 SER QB 1 86 PHE HB2 4.040 . 4.040 2.826 2.098 3.451 . 0 0 "[ . 1 . 2]" 1
1295 1 82 ASN HA 1 84 ASN H 4.440 . 4.440 4.276 4.064 4.441 0.001 6 0 "[ . 1 . 2]" 1
1296 1 82 ASN QB 1 83 GLN H 3.650 . 3.650 2.958 2.624 3.453 . 0 0 "[ . 1 . 2]" 1
1297 1 82 ASN QB 1 83 GLN HG2 4.240 . 4.240 4.042 3.719 4.335 0.095 18 0 "[ . 1 . 2]" 1
1298 1 82 ASN QB 1 84 ASN H 3.890 . 3.890 2.897 2.722 3.114 . 0 0 "[ . 1 . 2]" 1
1299 1 82 ASN QB 1 84 ASN HA 5.140 . 5.140 5.138 4.930 5.170 0.030 13 0 "[ . 1 . 2]" 1
1300 1 82 ASN QB 1 84 ASN HB2 3.710 . 3.710 3.491 3.256 3.656 . 0 0 "[ . 1 . 2]" 1
1301 1 83 GLN H 1 83 GLN QB 3.640 . 3.640 2.431 2.368 2.512 . 0 0 "[ . 1 . 2]" 1
1302 1 83 GLN H 1 84 ASN HB2 4.880 . 4.880 4.895 4.882 4.906 0.026 18 0 "[ . 1 . 2]" 1
1303 1 83 GLN HA 1 129 TYR HD2 4.650 . 4.650 4.526 4.306 4.661 0.011 4 0 "[ . 1 . 2]" 1
1304 1 83 GLN HA 1 129 TYR HE2 3.570 . 3.570 2.328 2.097 2.695 . 0 0 "[ . 1 . 2]" 1
1305 1 83 GLN QB 1 84 ASN H 3.930 . 3.930 3.519 3.437 3.600 . 0 0 "[ . 1 . 2]" 1
1306 1 83 GLN QB 1 84 ASN HA 5.340 . 5.340 4.410 4.319 4.499 . 0 0 "[ . 1 . 2]" 1
1307 1 83 GLN QB 1 129 TYR HE2 3.490 . 3.490 2.347 2.093 2.522 . 0 0 "[ . 1 . 2]" 1
1308 1 83 GLN HB2 1 84 ASN H 4.600 . 4.600 3.911 3.744 4.037 . 0 0 "[ . 1 . 2]" 1
1309 1 83 GLN HB3 1 84 ASN H 4.600 . 4.600 3.995 3.947 4.045 . 0 0 "[ . 1 . 2]" 1
1310 1 83 GLN HG2 1 84 ASN H 4.370 . 4.370 2.542 2.294 2.687 . 0 0 "[ . 1 . 2]" 1
1311 1 83 GLN HG2 1 84 ASN HB2 4.510 . 4.510 4.393 4.093 4.521 0.011 4 0 "[ . 1 . 2]" 1
1312 1 83 GLN HG3 1 84 ASN HB2 4.560 . 4.560 4.238 3.944 4.492 . 0 0 "[ . 1 . 2]" 1
1313 1 83 GLN HG3 1 129 TYR HE2 4.550 . 4.550 4.338 3.973 4.558 0.008 18 0 "[ . 1 . 2]" 1
1314 1 84 ASN H 1 84 ASN HB2 3.320 . 3.320 2.368 2.286 2.402 . 0 0 "[ . 1 . 2]" 1
1315 1 84 ASN H 1 85 ASN H 3.640 . 3.640 2.487 2.413 2.593 . 0 0 "[ . 1 . 2]" 1
1316 1 84 ASN HA 1 84 ASN HB3 2.860 . 2.860 2.536 2.521 2.580 . 0 0 "[ . 1 . 2]" 1
1317 1 84 ASN HA 1 87 VAL HB 3.940 . 3.940 3.590 3.323 3.793 . 0 0 "[ . 1 . 2]" 1
1318 1 84 ASN HA 1 87 VAL MG1 5.320 . 5.320 4.285 4.024 4.502 . 0 0 "[ . 1 . 2]" 1
1319 1 84 ASN HA 1 87 VAL MG2 5.050 . 5.050 4.797 4.574 5.008 . 0 0 "[ . 1 . 2]" 1
1320 1 84 ASN HA 1 129 TYR HE2 4.800 . 4.800 4.811 4.803 4.824 0.024 18 0 "[ . 1 . 2]" 1
1321 1 84 ASN HB2 1 84 ASN QD 3.320 . 3.320 2.238 2.145 2.711 . 0 0 "[ . 1 . 2]" 1
1322 1 84 ASN HB2 1 84 ASN HD22 3.970 . 3.970 3.512 3.474 3.731 . 0 0 "[ . 1 . 2]" 1
1323 1 84 ASN HB2 1 85 ASN H 3.650 . 3.650 2.596 2.352 2.785 . 0 0 "[ . 1 . 2]" 1
1324 1 84 ASN HB2 1 85 ASN QB 4.660 . 4.660 4.120 3.729 4.594 . 0 0 "[ . 1 . 2]" 1
1325 1 84 ASN HB2 1 88 HIS HB2 4.880 . 4.880 4.895 4.883 4.911 0.031 18 0 "[ . 1 . 2]" 1
1326 1 84 ASN HB3 1 85 ASN HA 4.300 . 4.300 4.179 3.928 4.271 . 0 0 "[ . 1 . 2]" 1
1327 1 84 ASN HB3 1 88 HIS HB3 5.370 . 5.370 5.319 4.995 5.376 0.006 4 0 "[ . 1 . 2]" 1
1328 1 85 ASN H 1 85 ASN HB2 3.800 . 3.800 2.488 2.335 2.609 . 0 0 "[ . 1 . 2]" 1
1329 1 85 ASN H 1 85 ASN QB 3.330 . 3.330 2.268 2.175 2.412 . 0 0 "[ . 1 . 2]" 1
1330 1 85 ASN H 1 85 ASN HB3 3.800 . 3.800 2.813 2.392 3.617 . 0 0 "[ . 1 . 2]" 1
1331 1 85 ASN H 1 85 ASN QD 4.310 . 4.310 4.315 4.244 4.354 0.044 4 0 "[ . 1 . 2]" 1
1332 1 85 ASN HA 1 88 HIS H 4.110 . 4.110 3.141 2.894 3.274 . 0 0 "[ . 1 . 2]" 1
1333 1 85 ASN HA 1 88 HIS HB2 3.260 . 3.260 2.452 2.025 2.638 . 0 0 "[ . 1 . 2]" 1
1334 1 85 ASN HA 1 88 HIS HB3 3.500 . 3.500 3.455 3.140 3.524 0.024 19 0 "[ . 1 . 2]" 1
1335 1 85 ASN HA 1 88 HIS HD2 4.830 . 4.830 4.536 3.686 4.843 0.013 18 0 "[ . 1 . 2]" 1
1336 1 85 ASN HA 1 89 ASP H 4.410 . 4.410 3.276 2.987 3.632 . 0 0 "[ . 1 . 2]" 1
1337 1 85 ASN QB 1 88 HIS HB2 5.050 . 5.050 4.527 4.124 4.709 . 0 0 "[ . 1 . 2]" 1
1338 1 86 PHE HB3 1 87 VAL HA 4.960 . 4.960 4.573 4.535 4.613 . 0 0 "[ . 1 . 2]" 1
1339 1 86 PHE HB3 1 87 VAL HB 4.390 . 4.390 4.021 3.945 4.127 . 0 0 "[ . 1 . 2]" 1
1340 1 86 PHE HB3 1 88 HIS H 4.590 . 4.590 4.602 4.592 4.618 0.028 18 0 "[ . 1 . 2]" 1
1341 1 86 PHE HD1 1 129 TYR HA 5.500 . 5.500 5.066 4.904 5.167 . 0 0 "[ . 1 . 2]" 1
1342 1 86 PHE HD1 1 132 GLU HG2 5.280 . 5.280 4.700 4.341 4.961 . 0 0 "[ . 1 . 2]" 1
1343 1 86 PHE HD2 1 87 VAL MG2 4.110 . 4.110 2.087 2.057 2.119 . 0 0 "[ . 1 . 2]" 1
1344 1 86 PHE HD2 1 126 ILE HA 4.280 . 4.280 4.303 4.291 4.325 0.045 18 0 "[ . 1 . 2]" 1
1345 1 86 PHE HD2 1 129 TYR HA 4.870 . 4.870 4.418 4.287 4.505 . 0 0 "[ . 1 . 2]" 1
1346 1 86 PHE HD2 1 129 TYR HB2 4.250 . 4.250 3.644 3.522 3.722 . 0 0 "[ . 1 . 2]" 1
1347 1 86 PHE HD2 1 129 TYR HD2 4.590 . 4.590 2.190 2.127 2.241 . 0 0 "[ . 1 . 2]" 1
1348 1 86 PHE HE1 1 132 GLU HB3 4.480 . 4.480 3.534 3.259 3.845 . 0 0 "[ . 1 . 2]" 1
1349 1 86 PHE HE1 1 132 GLU HG2 4.620 . 4.620 3.626 3.288 3.916 . 0 0 "[ . 1 . 2]" 1
1350 1 86 PHE HE2 1 87 VAL HA 5.340 . 5.340 3.972 3.793 4.086 . 0 0 "[ . 1 . 2]" 1
1351 1 86 PHE HE2 1 87 VAL HB 5.020 . 5.020 4.600 4.526 4.647 . 0 0 "[ . 1 . 2]" 1
1352 1 86 PHE HZ 1 87 VAL HA 5.480 . 5.480 5.276 5.086 5.411 . 0 0 "[ . 1 . 2]" 1
1353 1 86 PHE HZ 1 87 VAL MG2 4.010 . 4.010 4.046 4.026 4.077 0.067 18 0 "[ . 1 . 2]" 1
1354 1 86 PHE HZ 1 126 ILE HA 4.810 . 4.810 4.827 4.815 4.845 0.035 18 0 "[ . 1 . 2]" 1
1355 1 86 PHE HZ 1 128 GLN HA 4.600 . 4.600 4.278 4.176 4.370 . 0 0 "[ . 1 . 2]" 1
1356 1 86 PHE HZ 1 128 GLN HB2 4.550 . 4.550 3.049 2.514 3.329 . 0 0 "[ . 1 . 2]" 1
1357 1 86 PHE HZ 1 129 TYR HA 3.830 . 3.830 2.538 2.402 2.683 . 0 0 "[ . 1 . 2]" 1
1358 1 86 PHE HZ 1 129 TYR HD2 4.760 . 4.760 4.669 4.617 4.761 0.001 19 0 "[ . 1 . 2]" 1
1359 1 86 PHE HZ 1 131 ARG HB2 5.320 . 5.320 5.329 5.322 5.343 0.023 18 0 "[ . 1 . 2]" 1
1360 1 87 VAL H 1 87 VAL MG2 3.980 . 3.980 2.982 2.935 3.060 . 0 0 "[ . 1 . 2]" 1
1361 1 87 VAL H 1 88 HIS H 4.240 . 4.240 2.544 2.424 2.644 . 0 0 "[ . 1 . 2]" 1
1362 1 87 VAL HA 1 87 VAL MG1 3.200 . 3.200 2.755 2.730 2.792 . 0 0 "[ . 1 . 2]" 1
1363 1 87 VAL HA 1 87 VAL MG2 3.220 . 3.220 2.129 2.111 2.146 . 0 0 "[ . 1 . 2]" 1
1364 1 87 VAL HA 1 90 CYS H 4.180 . 4.180 3.721 3.645 3.802 . 0 0 "[ . 1 . 2]" 1
1365 1 87 VAL HA 1 90 CYS HB2 4.150 . 4.150 2.321 2.237 2.406 . 0 0 "[ . 1 . 2]" 1
1366 1 87 VAL HA 1 122 GLU QG 4.720 . 4.720 4.669 4.566 4.727 0.007 3 0 "[ . 1 . 2]" 1
1367 1 87 VAL HA 1 125 CYS HB3 4.440 . 4.440 2.720 2.567 2.813 . 0 0 "[ . 1 . 2]" 1
1368 1 87 VAL HA 1 126 ILE HG13 5.500 . 5.500 5.463 5.386 5.500 0.000 12 0 "[ . 1 . 2]" 1
1369 1 87 VAL HB 1 88 HIS H 4.090 . 4.090 3.066 3.019 3.102 . 0 0 "[ . 1 . 2]" 1
1370 1 87 VAL HB 1 88 HIS HA 4.760 . 4.760 4.763 4.735 4.780 0.020 18 0 "[ . 1 . 2]" 1
1371 1 87 VAL HB 1 88 HIS HB2 4.910 . 4.910 4.841 4.714 4.920 0.010 3 0 "[ . 1 . 2]" 1
1372 1 87 VAL HB 1 90 CYS HB2 5.500 . 5.500 5.057 4.990 5.118 . 0 0 "[ . 1 . 2]" 1
1373 1 87 VAL HB 1 126 ILE HA 4.830 . 4.830 4.847 4.832 4.876 0.046 18 0 "[ . 1 . 2]" 1
1374 1 87 VAL HB 1 126 ILE MD 4.340 . 4.340 3.939 3.875 4.030 . 0 0 "[ . 1 . 2]" 1
1375 1 87 VAL MG1 1 88 HIS H 3.880 . 3.880 2.884 2.771 2.986 . 0 0 "[ . 1 . 2]" 1
1376 1 87 VAL MG1 1 88 HIS HA 3.330 . 3.330 2.840 2.790 2.895 . 0 0 "[ . 1 . 2]" 1
1377 1 87 VAL MG1 1 88 HIS HB2 4.670 . 4.670 3.928 3.741 4.120 . 0 0 "[ . 1 . 2]" 1
1378 1 87 VAL MG1 1 88 HIS HB3 5.500 . 5.500 4.717 4.479 4.919 . 0 0 "[ . 1 . 2]" 1
1379 1 87 VAL MG1 1 88 HIS HD2 4.170 . 4.170 3.850 3.139 4.190 0.020 19 0 "[ . 1 . 2]" 1
1380 1 87 VAL MG1 1 90 CYS HB2 3.870 . 3.870 3.915 3.894 3.948 0.078 20 0 "[ . 1 . 2]" 1
1381 1 87 VAL MG1 1 90 CYS HB3 4.360 . 4.360 4.183 3.959 4.362 0.002 2 0 "[ . 1 . 2]" 1
1382 1 87 VAL MG1 1 91 VAL H 4.790 . 4.790 4.145 4.052 4.224 . 0 0 "[ . 1 . 2]" 1
1383 1 87 VAL MG1 1 122 GLU HA 3.570 . 3.570 3.111 3.030 3.239 . 0 0 "[ . 1 . 2]" 1
1384 1 87 VAL MG1 1 122 GLU HB3 4.330 . 4.330 4.359 4.335 4.396 0.066 4 0 "[ . 1 . 2]" 1
1385 1 87 VAL MG1 1 122 GLU QG 2.950 . 2.950 1.905 1.858 1.953 . 0 0 "[ . 1 . 2]" 1
1386 1 87 VAL MG1 1 125 CYS H 4.870 . 4.870 4.876 4.832 4.898 0.028 4 0 "[ . 1 . 2]" 1
1387 1 87 VAL MG1 1 125 CYS HB2 4.480 . 4.480 4.186 4.084 4.334 . 0 0 "[ . 1 . 2]" 1
1388 1 87 VAL MG1 1 125 CYS HB3 3.890 . 3.890 3.036 2.946 3.155 . 0 0 "[ . 1 . 2]" 1
1389 1 87 VAL MG1 1 126 ILE H 5.490 . 5.490 4.082 3.952 4.184 . 0 0 "[ . 1 . 2]" 1
1390 1 87 VAL MG1 1 126 ILE MD 2.960 . 2.960 2.155 2.092 2.243 . 0 0 "[ . 1 . 2]" 1
1391 1 87 VAL MG1 1 126 ILE HG12 4.620 . 4.620 4.223 4.101 4.289 . 0 0 "[ . 1 . 2]" 1
1392 1 87 VAL MG2 1 88 HIS H 4.200 . 4.200 4.236 4.206 4.262 0.062 18 0 "[ . 1 . 2]" 1
1393 1 87 VAL MG2 1 90 CYS HB2 4.950 . 4.950 3.992 3.941 4.061 . 0 0 "[ . 1 . 2]" 1
1394 1 87 VAL MG2 1 122 GLU QG 3.400 . 3.400 3.264 3.159 3.382 . 0 0 "[ . 1 . 2]" 1
1395 1 87 VAL MG2 1 123 GLN HA 5.180 . 5.180 4.837 4.776 4.908 . 0 0 "[ . 1 . 2]" 1
1396 1 87 VAL MG2 1 125 CYS H 4.810 . 4.810 4.174 4.072 4.263 . 0 0 "[ . 1 . 2]" 1
1397 1 87 VAL MG2 1 125 CYS HA 4.130 . 4.130 4.062 3.989 4.119 . 0 0 "[ . 1 . 2]" 1
1398 1 87 VAL MG2 1 125 CYS HB2 3.770 . 3.770 3.641 3.595 3.711 . 0 0 "[ . 1 . 2]" 1
1399 1 87 VAL MG2 1 125 CYS HB3 3.190 . 3.190 2.114 2.071 2.187 . 0 0 "[ . 1 . 2]" 1
1400 1 87 VAL MG2 1 126 ILE H 4.040 . 4.040 2.775 2.723 2.815 . 0 0 "[ . 1 . 2]" 1
1401 1 87 VAL MG2 1 126 ILE HA 3.420 . 3.420 2.320 2.284 2.353 . 0 0 "[ . 1 . 2]" 1
1402 1 87 VAL MG2 1 126 ILE HB 3.930 . 3.930 3.732 3.686 3.784 . 0 0 "[ . 1 . 2]" 1
1403 1 87 VAL MG2 1 126 ILE MD 2.930 . 2.930 2.157 2.116 2.186 . 0 0 "[ . 1 . 2]" 1
1404 1 87 VAL MG2 1 126 ILE HG12 4.840 . 4.840 3.624 3.596 3.662 . 0 0 "[ . 1 . 2]" 1
1405 1 87 VAL MG2 1 126 ILE HG13 3.880 . 3.880 2.150 2.122 2.191 . 0 0 "[ . 1 . 2]" 1
1406 1 87 VAL MG2 1 129 TYR HB2 3.870 . 3.870 3.281 3.211 3.367 . 0 0 "[ . 1 . 2]" 1
1407 1 87 VAL MG2 1 129 TYR HB3 4.980 . 4.980 4.628 4.563 4.728 . 0 0 "[ . 1 . 2]" 1
1408 1 87 VAL MG2 1 129 TYR HD2 4.360 . 4.360 2.850 2.726 2.984 . 0 0 "[ . 1 . 2]" 1
1409 1 87 VAL MG2 1 129 TYR HE2 4.510 . 4.510 4.404 4.262 4.533 0.023 4 0 "[ . 1 . 2]" 1
1410 1 88 HIS H 1 88 HIS HB2 3.500 . 3.500 2.192 2.164 2.229 . 0 0 "[ . 1 . 2]" 1
1411 1 88 HIS H 1 89 ASP H 4.060 . 4.060 2.823 2.691 2.908 . 0 0 "[ . 1 . 2]" 1
1412 1 88 HIS HA 1 90 CYS H 4.380 . 4.380 4.129 4.041 4.293 . 0 0 "[ . 1 . 2]" 1
1413 1 88 HIS HA 1 91 VAL H 4.770 . 4.770 3.935 3.701 4.213 . 0 0 "[ . 1 . 2]" 1
1414 1 88 HIS HA 1 91 VAL MG1 3.770 . 3.770 2.777 2.561 3.045 . 0 0 "[ . 1 . 2]" 1
1415 1 88 HIS HB2 1 88 HIS HD2 3.780 . 3.780 2.739 2.710 2.787 . 0 0 "[ . 1 . 2]" 1
1416 1 88 HIS HB2 1 89 ASP QB 5.340 . 5.340 4.826 4.300 5.339 . 0 0 "[ . 1 . 2]" 1
1417 1 88 HIS HB3 1 89 ASP H 4.200 . 4.200 3.258 3.003 3.449 . 0 0 "[ . 1 . 2]" 1
1418 1 88 HIS HB3 1 89 ASP HA 4.100 . 4.100 4.073 3.917 4.116 0.016 11 0 "[ . 1 . 2]" 1
1419 1 88 HIS HB3 1 91 VAL MG1 5.500 . 5.500 4.677 4.376 5.047 . 0 0 "[ . 1 . 2]" 1
1420 1 89 ASP H 1 89 ASP QB 3.640 . 3.640 2.291 2.079 2.590 . 0 0 "[ . 1 . 2]" 1
1421 1 89 ASP H 1 90 CYS H 4.000 . 4.000 2.326 2.231 2.400 . 0 0 "[ . 1 . 2]" 1
1422 1 89 ASP HA 1 90 CYS HB2 5.500 . 5.500 5.335 5.286 5.385 . 0 0 "[ . 1 . 2]" 1
1423 1 89 ASP HA 1 92 ASN H 4.330 . 4.330 3.513 3.321 3.779 . 0 0 "[ . 1 . 2]" 1
1424 1 89 ASP HA 1 92 ASN HB2 3.290 . 3.290 3.198 2.999 3.303 0.013 3 0 "[ . 1 . 2]" 1
1425 1 89 ASP HA 1 92 ASN HB3 2.730 . 2.730 2.401 2.217 2.610 . 0 0 "[ . 1 . 2]" 1
1426 1 89 ASP HA 1 92 ASN HD21 3.780 . 3.780 3.348 3.202 3.524 . 0 0 "[ . 1 . 2]" 1
1427 1 89 ASP HA 1 93 ILE HB 4.790 . 4.790 4.790 4.746 4.800 0.010 1 0 "[ . 1 . 2]" 1
1428 1 89 ASP HA 1 93 ILE MD 3.890 . 3.890 3.613 3.532 3.690 . 0 0 "[ . 1 . 2]" 1
1429 1 89 ASP HA 1 93 ILE HG12 5.500 . 5.500 5.507 5.501 5.523 0.023 18 0 "[ . 1 . 2]" 1
1430 1 89 ASP QB 1 90 CYS H 3.510 . 3.510 2.907 2.662 3.552 0.042 5 0 "[ . 1 . 2]" 1
1431 1 89 ASP QB 1 93 ILE MD 4.970 . 4.970 3.838 3.116 4.323 . 0 0 "[ . 1 . 2]" 1
1432 1 89 ASP HB2 1 90 CYS H 4.240 . 4.240 3.525 2.724 4.059 . 0 0 "[ . 1 . 2]" 1
1433 1 89 ASP HB3 1 90 CYS H 4.240 . 4.240 3.279 2.798 3.930 . 0 0 "[ . 1 . 2]" 1
1434 1 90 CYS H 1 90 CYS HB2 3.780 . 3.780 2.010 1.968 2.088 . 0 0 "[ . 1 . 2]" 1
1435 1 90 CYS H 1 90 CYS HB3 4.140 . 4.140 3.250 3.162 3.323 . 0 0 "[ . 1 . 2]" 1
1436 1 90 CYS H 1 91 VAL H 4.160 . 4.160 3.173 3.104 3.283 . 0 0 "[ . 1 . 2]" 1
1437 1 90 CYS H 1 91 VAL MG1 4.160 . 4.160 4.055 3.961 4.174 0.014 11 0 "[ . 1 . 2]" 1
1438 1 90 CYS HA 1 91 VAL MG1 5.200 . 5.200 4.912 4.870 4.959 . 0 0 "[ . 1 . 2]" 1
1439 1 90 CYS HA 1 93 ILE HB 4.200 . 4.200 3.783 3.725 3.849 . 0 0 "[ . 1 . 2]" 1
1440 1 90 CYS HA 1 93 ILE MD 5.280 . 5.280 5.305 5.290 5.338 0.058 18 0 "[ . 1 . 2]" 1
1441 1 90 CYS HA 1 93 ILE MG 4.530 . 4.530 4.350 4.278 4.403 . 0 0 "[ . 1 . 2]" 1
1442 1 90 CYS HB2 1 91 VAL H 4.440 . 4.440 2.751 2.682 2.831 . 0 0 "[ . 1 . 2]" 1
1443 1 90 CYS HB2 1 91 VAL MG1 4.250 . 4.250 3.755 3.637 3.854 . 0 0 "[ . 1 . 2]" 1
1444 1 90 CYS HB2 1 125 CYS HA 5.500 . 5.500 5.285 5.219 5.353 . 0 0 "[ . 1 . 2]" 1
1445 1 90 CYS HB2 1 125 CYS HB2 4.320 . 4.320 3.453 3.301 3.637 . 0 0 "[ . 1 . 2]" 1
1446 1 90 CYS HB3 1 91 VAL HB 4.300 . 4.300 3.694 3.658 3.740 . 0 0 "[ . 1 . 2]" 1
1447 1 90 CYS HB3 1 91 VAL MG1 4.550 . 4.550 3.247 3.098 3.437 . 0 0 "[ . 1 . 2]" 1
1448 1 90 CYS HB3 1 125 CYS HB2 3.990 . 3.990 2.455 2.362 2.575 . 0 0 "[ . 1 . 2]" 1
1449 1 91 VAL H 1 91 VAL HB 3.970 . 3.970 2.798 2.755 2.848 . 0 0 "[ . 1 . 2]" 1
1450 1 91 VAL H 1 91 VAL MG1 3.540 . 3.540 1.858 1.819 1.882 . 0 0 "[ . 1 . 2]" 1
1451 1 91 VAL H 1 91 VAL MG2 3.800 . 3.800 3.711 3.683 3.729 . 0 0 "[ . 1 . 2]" 1
1452 1 91 VAL H 1 92 ASN H 4.110 . 4.110 2.705 2.676 2.751 . 0 0 "[ . 1 . 2]" 1
1453 1 91 VAL H 1 92 ASN HB3 5.290 . 5.290 4.904 4.842 4.974 . 0 0 "[ . 1 . 2]" 1
1454 1 91 VAL H 1 121 VAL MG1 4.070 . 4.070 3.981 3.929 4.048 . 0 0 "[ . 1 . 2]" 1
1455 1 91 VAL H 1 122 GLU QG 5.080 . 5.080 5.038 4.826 5.100 0.020 18 0 "[ . 1 . 2]" 1
1456 1 91 VAL HA 1 91 VAL MG1 3.570 . 3.570 3.254 3.243 3.261 . 0 0 "[ . 1 . 2]" 1
1457 1 91 VAL HA 1 91 VAL MG2 3.050 . 3.050 2.552 2.528 2.579 . 0 0 "[ . 1 . 2]" 1
1458 1 91 VAL HA 1 92 ASN HA 4.930 . 4.930 4.874 4.858 4.887 . 0 0 "[ . 1 . 2]" 1
1459 1 91 VAL HA 1 94 THR H 4.220 . 4.220 3.216 3.162 3.266 . 0 0 "[ . 1 . 2]" 1
1460 1 91 VAL HA 1 94 THR HA 5.500 . 5.500 4.983 4.931 5.045 . 0 0 "[ . 1 . 2]" 1
1461 1 91 VAL HA 1 94 THR HB 3.940 . 3.940 2.217 2.162 2.271 . 0 0 "[ . 1 . 2]" 1
1462 1 91 VAL HA 1 94 THR MG 3.900 . 3.900 3.677 3.630 3.726 . 0 0 "[ . 1 . 2]" 1
1463 1 91 VAL HA 1 95 ILE H 4.300 . 4.300 3.461 3.395 3.498 . 0 0 "[ . 1 . 2]" 1
1464 1 91 VAL HA 1 95 ILE MD 4.330 . 4.330 4.173 4.150 4.211 . 0 0 "[ . 1 . 2]" 1
1465 1 91 VAL HA 1 121 VAL HB 4.260 . 4.260 3.543 3.485 3.618 . 0 0 "[ . 1 . 2]" 1
1466 1 91 VAL HA 1 121 VAL MG1 3.170 . 3.170 2.025 1.998 2.045 . 0 0 "[ . 1 . 2]" 1
1467 1 91 VAL HB 1 92 ASN H 4.340 . 4.340 4.179 4.163 4.191 . 0 0 "[ . 1 . 2]" 1
1468 1 91 VAL HB 1 94 THR HB 4.470 . 4.470 4.389 4.342 4.450 . 0 0 "[ . 1 . 2]" 1
1469 1 91 VAL HB 1 121 VAL MG1 3.300 . 3.300 2.449 2.391 2.489 . 0 0 "[ . 1 . 2]" 1
1470 1 91 VAL HB 1 121 VAL MG2 4.390 . 4.390 4.419 4.402 4.435 0.045 20 0 "[ . 1 . 2]" 1
1471 1 91 VAL HB 1 122 GLU H 3.540 . 3.540 2.987 2.933 3.047 . 0 0 "[ . 1 . 2]" 1
1472 1 91 VAL HB 1 122 GLU HA 3.440 . 3.440 2.525 2.450 2.594 . 0 0 "[ . 1 . 2]" 1
1473 1 91 VAL MG1 1 92 ASN H 4.150 . 4.150 2.134 2.109 2.172 . 0 0 "[ . 1 . 2]" 1
1474 1 91 VAL MG1 1 92 ASN HA 4.070 . 4.070 3.728 3.633 3.805 . 0 0 "[ . 1 . 2]" 1
1475 1 91 VAL MG1 1 92 ASN HB2 4.100 . 4.100 3.541 3.460 3.603 . 0 0 "[ . 1 . 2]" 1
1476 1 91 VAL MG1 1 92 ASN HB3 4.250 . 4.250 4.230 4.170 4.275 0.025 3 0 "[ . 1 . 2]" 1
1477 1 91 VAL MG1 1 94 THR HB 5.220 . 5.220 5.030 4.979 5.077 . 0 0 "[ . 1 . 2]" 1
1478 1 91 VAL MG1 1 95 ILE MD 3.930 . 3.930 4.023 3.969 4.067 0.137 4 0 "[ . 1 . 2]" 1
1479 1 91 VAL MG1 1 118 GLU HA 4.000 . 4.000 4.007 3.901 4.032 0.032 4 0 "[ . 1 . 2]" 1
1480 1 91 VAL MG1 1 121 VAL MG1 3.920 . 3.920 3.826 3.792 3.861 . 0 0 "[ . 1 . 2]" 1
1481 1 91 VAL MG1 1 122 GLU H 4.040 . 4.040 3.676 3.619 3.714 . 0 0 "[ . 1 . 2]" 1
1482 1 91 VAL MG1 1 122 GLU HA 3.370 . 3.370 2.767 2.675 2.828 . 0 0 "[ . 1 . 2]" 1
1483 1 91 VAL MG1 1 122 GLU HB2 3.580 . 3.580 2.151 2.094 2.218 . 0 0 "[ . 1 . 2]" 1
1484 1 91 VAL MG1 1 125 CYS HB3 5.250 . 5.250 4.482 4.396 4.621 . 0 0 "[ . 1 . 2]" 1
1485 1 91 VAL MG2 1 92 ASN H 3.950 . 3.950 3.341 3.285 3.422 . 0 0 "[ . 1 . 2]" 1
1486 1 91 VAL MG2 1 92 ASN HA 3.640 . 3.640 3.369 3.304 3.440 . 0 0 "[ . 1 . 2]" 1
1487 1 91 VAL MG2 1 94 THR HB 4.020 . 4.020 3.609 3.559 3.672 . 0 0 "[ . 1 . 2]" 1
1488 1 91 VAL MG2 1 118 GLU HA 3.060 . 3.060 2.167 2.044 2.227 . 0 0 "[ . 1 . 2]" 1
1489 1 91 VAL MG2 1 118 GLU HB3 4.250 . 4.250 3.605 3.505 3.730 . 0 0 "[ . 1 . 2]" 1
1490 1 91 VAL MG2 1 121 VAL H 4.670 . 4.670 3.630 3.579 3.721 . 0 0 "[ . 1 . 2]" 1
1491 1 91 VAL MG2 1 121 VAL HB 3.480 . 3.480 2.028 1.987 2.062 . 0 0 "[ . 1 . 2]" 1
1492 1 91 VAL MG2 1 121 VAL MG1 2.610 . 2.610 2.466 2.386 2.528 . 0 0 "[ . 1 . 2]" 1
1493 1 91 VAL MG2 1 122 GLU H 4.190 . 4.190 2.793 2.721 2.867 . 0 0 "[ . 1 . 2]" 1
1494 1 91 VAL MG2 1 122 GLU HB2 4.460 . 4.460 2.914 2.829 3.005 . 0 0 "[ . 1 . 2]" 1
1495 1 91 VAL MG2 1 122 GLU HB3 3.820 . 3.820 3.859 3.836 3.890 0.070 18 0 "[ . 1 . 2]" 1
1496 1 92 ASN H 1 92 ASN HB3 3.450 . 3.450 2.527 2.485 2.599 . 0 0 "[ . 1 . 2]" 1
1497 1 92 ASN H 1 93 ILE H 4.170 . 4.170 2.834 2.800 2.863 . 0 0 "[ . 1 . 2]" 1
1498 1 92 ASN HA 1 92 ASN HD21 4.600 . 4.600 4.366 4.307 4.405 . 0 0 "[ . 1 . 2]" 1
1499 1 92 ASN HA 1 92 ASN HD22 4.780 . 4.780 4.653 4.580 4.694 . 0 0 "[ . 1 . 2]" 1
1500 1 92 ASN HA 1 93 ILE MD 4.580 . 4.580 4.577 4.532 4.592 0.012 10 0 "[ . 1 . 2]" 1
1501 1 92 ASN HA 1 95 ILE H 4.780 . 4.780 4.158 4.065 4.227 . 0 0 "[ . 1 . 2]" 1
1502 1 92 ASN HA 1 95 ILE HB 4.280 . 4.280 3.646 3.508 3.752 . 0 0 "[ . 1 . 2]" 1
1503 1 92 ASN HA 1 95 ILE MD 4.480 . 4.480 4.092 3.965 4.209 . 0 0 "[ . 1 . 2]" 1
1504 1 92 ASN HA 1 95 ILE MG 4.840 . 4.840 4.450 4.348 4.526 . 0 0 "[ . 1 . 2]" 1
1505 1 92 ASN HB2 1 93 ILE H 4.010 . 4.010 3.729 3.673 3.757 . 0 0 "[ . 1 . 2]" 1
1506 1 92 ASN HB2 1 93 ILE MD 4.420 . 4.420 4.210 4.152 4.242 . 0 0 "[ . 1 . 2]" 1
1507 1 92 ASN HB3 1 92 ASN HD22 3.650 . 3.650 3.434 3.425 3.445 . 0 0 "[ . 1 . 2]" 1
1508 1 92 ASN HB3 1 93 ILE HB 4.090 . 4.090 4.081 3.972 4.095 0.005 4 0 "[ . 1 . 2]" 1
1509 1 92 ASN HB3 1 93 ILE MD 3.880 . 3.880 2.758 2.676 2.805 . 0 0 "[ . 1 . 2]" 1
1510 1 92 ASN HB3 1 93 ILE HG12 5.350 . 5.350 5.109 5.077 5.164 . 0 0 "[ . 1 . 2]" 1
1511 1 92 ASN HD21 1 93 ILE HA 4.070 . 4.070 4.081 4.073 4.095 0.025 18 0 "[ . 1 . 2]" 1
1512 1 92 ASN HD21 1 93 ILE MD 3.590 . 3.590 1.979 1.930 2.051 . 0 0 "[ . 1 . 2]" 1
1513 1 93 ILE H 1 93 ILE HB 4.180 . 4.180 2.183 2.148 2.204 . 0 0 "[ . 1 . 2]" 1
1514 1 93 ILE H 1 93 ILE HG12 4.570 . 4.570 3.989 3.934 4.071 . 0 0 "[ . 1 . 2]" 1
1515 1 93 ILE H 1 93 ILE HG13 4.970 . 4.970 4.329 4.301 4.345 . 0 0 "[ . 1 . 2]" 1
1516 1 93 ILE H 1 94 THR H 4.120 . 4.120 2.603 2.538 2.642 . 0 0 "[ . 1 . 2]" 1
1517 1 93 ILE H 1 96 LYS H 4.760 . 4.760 4.778 4.765 4.795 0.035 18 0 "[ . 1 . 2]" 1
1518 1 93 ILE HA 1 93 ILE MD 3.010 . 3.010 2.041 2.023 2.069 . 0 0 "[ . 1 . 2]" 1
1519 1 93 ILE HA 1 93 ILE HG12 3.900 . 3.900 3.627 3.609 3.638 . 0 0 "[ . 1 . 2]" 1
1520 1 93 ILE HA 1 93 ILE HG13 3.350 . 3.350 2.685 2.610 2.736 . 0 0 "[ . 1 . 2]" 1
1521 1 93 ILE HA 1 93 ILE MG 3.320 . 3.320 2.785 2.762 2.802 . 0 0 "[ . 1 . 2]" 1
1522 1 93 ILE HA 1 96 LYS H 4.290 . 4.290 3.477 3.439 3.505 . 0 0 "[ . 1 . 2]" 1
1523 1 93 ILE HA 1 96 LYS HB2 3.700 . 3.700 2.719 2.686 2.754 . 0 0 "[ . 1 . 2]" 1
1524 1 93 ILE HA 1 96 LYS HB3 3.580 . 3.580 3.150 3.105 3.196 . 0 0 "[ . 1 . 2]" 1
1525 1 93 ILE HA 1 96 LYS HG3 4.240 . 4.240 4.171 4.128 4.199 . 0 0 "[ . 1 . 2]" 1
1526 1 93 ILE HA 1 97 GLN H 4.480 . 4.480 4.021 3.970 4.090 . 0 0 "[ . 1 . 2]" 1
1527 1 93 ILE HA 1 97 GLN HE22 5.000 . 5.000 3.626 3.544 3.810 . 0 0 "[ . 1 . 2]" 1
1528 1 93 ILE HB 1 93 ILE MD 2.900 . 2.900 2.622 2.576 2.651 . 0 0 "[ . 1 . 2]" 1
1529 1 93 ILE HB 1 94 THR H 4.250 . 4.250 2.916 2.891 2.953 . 0 0 "[ . 1 . 2]" 1
1530 1 93 ILE HB 1 97 GLN HE21 4.710 . 4.710 4.275 4.196 4.479 . 0 0 "[ . 1 . 2]" 1
1531 1 93 ILE MD 1 96 LYS H 5.000 . 5.000 4.877 4.859 4.903 . 0 0 "[ . 1 . 2]" 1
1532 1 93 ILE MD 1 96 LYS HB2 3.800 . 3.800 3.809 3.801 3.826 0.026 4 0 "[ . 1 . 2]" 1
1533 1 93 ILE MD 1 96 LYS HB3 4.090 . 4.090 4.133 4.105 4.171 0.081 4 0 "[ . 1 . 2]" 1
1534 1 93 ILE MD 1 96 LYS HG3 4.430 . 4.430 4.221 4.187 4.252 . 0 0 "[ . 1 . 2]" 1
1535 1 93 ILE MD 1 97 GLN HE21 3.880 . 3.880 3.585 3.521 3.744 . 0 0 "[ . 1 . 2]" 1
1536 1 93 ILE HG12 1 93 ILE MG 3.110 . 3.110 2.436 2.401 2.465 . 0 0 "[ . 1 . 2]" 1
1537 1 93 ILE HG12 1 94 THR H 5.500 . 5.500 5.138 5.109 5.176 . 0 0 "[ . 1 . 2]" 1
1538 1 93 ILE HG12 1 97 GLN HE21 4.710 . 4.710 4.241 4.075 4.499 . 0 0 "[ . 1 . 2]" 1
1539 1 93 ILE HG13 1 93 ILE MG 3.310 . 3.310 2.233 2.205 2.271 . 0 0 "[ . 1 . 2]" 1
1540 1 93 ILE HG13 1 94 THR H 5.500 . 5.500 5.132 5.121 5.153 . 0 0 "[ . 1 . 2]" 1
1541 1 93 ILE HG13 1 97 GLN HE21 4.100 . 4.100 2.685 2.527 2.936 . 0 0 "[ . 1 . 2]" 1
1542 1 93 ILE MG 1 94 THR H 3.920 . 3.920 2.695 2.672 2.733 . 0 0 "[ . 1 . 2]" 1
1543 1 93 ILE MG 1 94 THR HA 3.570 . 3.570 2.804 2.788 2.841 . 0 0 "[ . 1 . 2]" 1
1544 1 93 ILE MG 1 94 THR HB 4.460 . 4.460 4.508 4.477 4.538 0.078 18 0 "[ . 1 . 2]" 1
1545 1 93 ILE MG 1 94 THR MG 4.540 . 4.540 4.272 4.252 4.298 . 0 0 "[ . 1 . 2]" 1
1546 1 93 ILE MG 1 95 ILE H 4.860 . 4.860 4.721 4.701 4.753 . 0 0 "[ . 1 . 2]" 1
1547 1 93 ILE MG 1 96 LYS HB2 4.520 . 4.520 4.562 4.536 4.591 0.071 16 0 "[ . 1 . 2]" 1
1548 1 93 ILE MG 1 96 LYS HB3 4.170 . 4.170 4.173 4.137 4.200 0.030 18 0 "[ . 1 . 2]" 1
1549 1 93 ILE MG 1 97 GLN HA 5.040 . 5.040 5.067 5.047 5.110 0.070 18 0 "[ . 1 . 2]" 1
1550 1 93 ILE MG 1 97 GLN HB2 4.440 . 4.440 3.934 3.887 3.963 . 0 0 "[ . 1 . 2]" 1
1551 1 93 ILE MG 1 97 GLN HE21 3.360 . 3.360 1.845 1.790 2.035 . 0 0 "[ . 1 . 2]" 1
1552 1 93 ILE MG 1 97 GLN HG2 3.760 . 3.760 2.125 2.082 2.176 . 0 0 "[ . 1 . 2]" 1
1553 1 93 ILE MG 1 97 GLN HG3 3.460 . 3.460 2.982 2.948 3.054 . 0 0 "[ . 1 . 2]" 1
1554 1 94 THR H 1 94 THR HB 3.910 . 3.910 2.560 2.523 2.587 . 0 0 "[ . 1 . 2]" 1
1555 1 94 THR H 1 94 THR MG 4.030 . 4.030 3.748 3.738 3.757 . 0 0 "[ . 1 . 2]" 1
1556 1 94 THR H 1 95 ILE H 4.000 . 4.000 2.902 2.883 2.921 . 0 0 "[ . 1 . 2]" 1
1557 1 94 THR H 1 95 ILE HB 5.020 . 5.020 4.783 4.760 4.807 . 0 0 "[ . 1 . 2]" 1
1558 1 94 THR H 1 121 VAL MG1 4.470 . 4.470 4.044 4.014 4.062 . 0 0 "[ . 1 . 2]" 1
1559 1 94 THR HA 1 94 THR MG 3.440 . 3.440 2.360 2.349 2.370 . 0 0 "[ . 1 . 2]" 1
1560 1 94 THR HA 1 95 ILE HA 4.980 . 4.980 4.714 4.702 4.726 . 0 0 "[ . 1 . 2]" 1
1561 1 94 THR HA 1 97 GLN H 4.980 . 4.980 3.438 3.367 3.494 . 0 0 "[ . 1 . 2]" 1
1562 1 94 THR HA 1 97 GLN HB2 3.490 . 3.490 3.149 3.055 3.200 . 0 0 "[ . 1 . 2]" 1
1563 1 94 THR HA 1 97 GLN HG2 3.680 . 3.680 3.066 3.022 3.110 . 0 0 "[ . 1 . 2]" 1
1564 1 94 THR HA 1 97 GLN HG3 4.780 . 4.780 4.382 4.339 4.444 . 0 0 "[ . 1 . 2]" 1
1565 1 94 THR HA 1 121 VAL MG1 4.430 . 4.430 4.395 4.377 4.412 . 0 0 "[ . 1 . 2]" 1
1566 1 94 THR HB 1 95 ILE H 4.310 . 4.310 2.434 2.397 2.460 . 0 0 "[ . 1 . 2]" 1
1567 1 94 THR HB 1 95 ILE HB 4.240 . 4.240 4.259 4.246 4.280 0.040 18 0 "[ . 1 . 2]" 1
1568 1 94 THR HB 1 95 ILE MD 4.650 . 4.650 4.460 4.402 4.511 . 0 0 "[ . 1 . 2]" 1
1569 1 94 THR HB 1 95 ILE HG13 4.000 . 4.000 3.537 3.490 3.575 . 0 0 "[ . 1 . 2]" 1
1570 1 94 THR HB 1 97 GLN H 5.500 . 5.500 5.446 5.353 5.501 0.001 12 0 "[ . 1 . 2]" 1
1571 1 94 THR HB 1 121 VAL HA 5.380 . 5.380 5.402 5.388 5.415 0.035 18 0 "[ . 1 . 2]" 1
1572 1 94 THR HB 1 121 VAL MG1 3.440 . 3.440 1.991 1.945 2.029 . 0 0 "[ . 1 . 2]" 1
1573 1 94 THR MG 1 95 ILE H 4.080 . 4.080 3.349 3.296 3.380 . 0 0 "[ . 1 . 2]" 1
1574 1 94 THR MG 1 95 ILE HA 3.450 . 3.450 3.414 3.367 3.452 0.002 12 0 "[ . 1 . 2]" 1
1575 1 94 THR MG 1 95 ILE MD 5.260 . 5.260 4.546 4.478 4.589 . 0 0 "[ . 1 . 2]" 1
1576 1 94 THR MG 1 95 ILE HG13 3.410 . 3.410 3.387 3.305 3.420 0.010 18 0 "[ . 1 . 2]" 1
1577 1 94 THR MG 1 98 HIS HB2 4.100 . 4.100 3.230 3.139 3.327 . 0 0 "[ . 1 . 2]" 1
1578 1 94 THR MG 1 98 HIS HB3 4.890 . 4.890 4.097 3.992 4.213 . 0 0 "[ . 1 . 2]" 1
1579 1 94 THR MG 1 121 VAL HB 4.220 . 4.220 4.283 4.247 4.344 0.124 18 0 "[ . 1 . 2]" 1
1580 1 94 THR MG 1 121 VAL MG1 2.810 . 2.810 2.014 1.995 2.039 . 0 0 "[ . 1 . 2]" 1
1581 1 94 THR MG 1 121 VAL MG2 3.010 . 3.010 3.020 2.950 3.063 0.053 13 0 "[ . 1 . 2]" 1
1582 1 94 THR MG 1 124 MET ME 4.830 . 4.830 3.923 3.822 4.011 . 0 0 "[ . 1 . 2]" 1
1583 1 95 ILE H 1 95 ILE HB 3.660 . 3.660 2.114 2.095 2.134 . 0 0 "[ . 1 . 2]" 1
1584 1 95 ILE H 1 95 ILE MD 3.820 . 3.820 3.547 3.494 3.591 . 0 0 "[ . 1 . 2]" 1
1585 1 95 ILE H 1 95 ILE HG12 4.200 . 4.200 4.019 3.983 4.048 . 0 0 "[ . 1 . 2]" 1
1586 1 95 ILE H 1 95 ILE HG13 3.710 . 3.710 2.789 2.750 2.827 . 0 0 "[ . 1 . 2]" 1
1587 1 95 ILE H 1 95 ILE MG 3.650 . 3.650 3.624 3.612 3.638 . 0 0 "[ . 1 . 2]" 1
1588 1 95 ILE H 1 96 LYS H 3.830 . 3.830 2.625 2.609 2.642 . 0 0 "[ . 1 . 2]" 1
1589 1 95 ILE H 1 121 VAL MG1 4.460 . 4.460 3.257 3.198 3.299 . 0 0 "[ . 1 . 2]" 1
1590 1 95 ILE HA 1 95 ILE MD 4.550 . 4.550 3.752 3.736 3.772 . 0 0 "[ . 1 . 2]" 1
1591 1 95 ILE HA 1 95 ILE HG12 3.090 . 3.090 2.461 2.424 2.522 . 0 0 "[ . 1 . 2]" 1
1592 1 95 ILE HA 1 95 ILE HG13 3.780 . 3.780 2.461 2.436 2.484 . 0 0 "[ . 1 . 2]" 1
1593 1 95 ILE HA 1 95 ILE MG 3.050 . 3.050 2.694 2.661 2.730 . 0 0 "[ . 1 . 2]" 1
1594 1 95 ILE HA 1 96 LYS HA 4.750 . 4.750 4.770 4.758 4.785 0.035 18 0 "[ . 1 . 2]" 1
1595 1 95 ILE HA 1 98 HIS H 4.390 . 4.390 3.306 3.267 3.360 . 0 0 "[ . 1 . 2]" 1
1596 1 95 ILE HA 1 98 HIS HB2 3.990 . 3.990 3.621 3.523 3.685 . 0 0 "[ . 1 . 2]" 1
1597 1 95 ILE HA 1 98 HIS HB3 3.740 . 3.740 2.971 2.775 3.126 . 0 0 "[ . 1 . 2]" 1
1598 1 95 ILE HA 1 99 THR H 4.660 . 4.660 3.275 3.213 3.313 . 0 0 "[ . 1 . 2]" 1
1599 1 95 ILE HA 1 117 MET HB3 5.470 . 5.470 4.701 4.656 4.773 . 0 0 "[ . 1 . 2]" 1
1600 1 95 ILE HA 1 117 MET ME 4.230 . 4.230 3.895 3.798 3.984 . 0 0 "[ . 1 . 2]" 1
1601 1 95 ILE HB 1 95 ILE MD 2.990 . 2.990 2.271 2.244 2.304 . 0 0 "[ . 1 . 2]" 1
1602 1 95 ILE HB 1 96 LYS H 3.870 . 3.870 2.869 2.843 2.914 . 0 0 "[ . 1 . 2]" 1
1603 1 95 ILE HB 1 121 VAL MG1 4.660 . 4.660 4.158 4.092 4.203 . 0 0 "[ . 1 . 2]" 1
1604 1 95 ILE MD 1 96 LYS H 5.020 . 5.020 4.752 4.715 4.801 . 0 0 "[ . 1 . 2]" 1
1605 1 95 ILE MD 1 114 VAL HA 3.910 . 3.910 3.669 3.465 3.790 . 0 0 "[ . 1 . 2]" 1
1606 1 95 ILE MD 1 117 MET HA 3.900 . 3.900 3.803 3.756 3.844 . 0 0 "[ . 1 . 2]" 1
1607 1 95 ILE MD 1 117 MET HB2 3.240 . 3.240 2.583 2.516 2.653 . 0 0 "[ . 1 . 2]" 1
1608 1 95 ILE MD 1 117 MET HB3 3.270 . 3.270 2.180 2.140 2.246 . 0 0 "[ . 1 . 2]" 1
1609 1 95 ILE MD 1 117 MET ME 3.060 . 3.060 2.792 2.750 2.886 . 0 0 "[ . 1 . 2]" 1
1610 1 95 ILE MD 1 118 GLU H 3.940 . 3.940 2.998 2.979 3.023 . 0 0 "[ . 1 . 2]" 1
1611 1 95 ILE MD 1 118 GLU HA 2.840 . 2.840 2.206 2.180 2.253 . 0 0 "[ . 1 . 2]" 1
1612 1 95 ILE MD 1 118 GLU HB2 4.170 . 4.170 4.210 4.192 4.230 0.060 16 0 "[ . 1 . 2]" 1
1613 1 95 ILE MD 1 118 GLU HG3 3.770 . 3.770 3.171 3.088 3.412 . 0 0 "[ . 1 . 2]" 1
1614 1 95 ILE MD 1 121 VAL H 4.690 . 4.690 3.745 3.698 3.853 . 0 0 "[ . 1 . 2]" 1
1615 1 95 ILE MD 1 121 VAL HB 3.150 . 3.150 2.632 2.575 2.704 . 0 0 "[ . 1 . 2]" 1
1616 1 95 ILE MD 1 121 VAL MG1 3.320 . 3.320 3.255 3.159 3.305 . 0 0 "[ . 1 . 2]" 1
1617 1 95 ILE MD 1 121 VAL MG2 2.480 . 2.480 2.566 2.531 2.670 0.190 18 0 "[ . 1 . 2]" 1
1618 1 95 ILE MD 1 122 GLU H 4.500 . 4.500 4.415 4.366 4.485 . 0 0 "[ . 1 . 2]" 1
1619 1 95 ILE HG12 1 95 ILE MG 3.390 . 3.390 2.352 2.308 2.383 . 0 0 "[ . 1 . 2]" 1
1620 1 95 ILE HG12 1 98 HIS HB3 4.880 . 4.880 4.560 4.431 4.672 . 0 0 "[ . 1 . 2]" 1
1621 1 95 ILE HG12 1 99 THR H 5.010 . 5.010 4.993 4.943 5.015 0.005 13 0 "[ . 1 . 2]" 1
1622 1 95 ILE HG12 1 114 VAL HA 4.800 . 4.800 4.602 4.428 4.709 . 0 0 "[ . 1 . 2]" 1
1623 1 95 ILE HG12 1 117 MET HA 4.990 . 4.990 4.972 4.927 4.996 0.006 18 0 "[ . 1 . 2]" 1
1624 1 95 ILE HG12 1 117 MET HB2 4.430 . 4.430 3.275 3.176 3.358 . 0 0 "[ . 1 . 2]" 1
1625 1 95 ILE HG12 1 117 MET HB3 4.080 . 4.080 2.442 2.402 2.458 . 0 0 "[ . 1 . 2]" 1
1626 1 95 ILE HG12 1 117 MET HG3 4.590 . 4.590 4.578 4.545 4.594 0.004 4 0 "[ . 1 . 2]" 1
1627 1 95 ILE HG12 1 118 GLU H 5.250 . 5.250 5.139 5.054 5.180 . 0 0 "[ . 1 . 2]" 1
1628 1 95 ILE HG12 1 121 VAL MG1 4.520 . 4.520 4.083 4.003 4.184 . 0 0 "[ . 1 . 2]" 1
1629 1 95 ILE HG13 1 95 ILE MG 3.260 . 3.260 3.238 3.216 3.256 . 0 0 "[ . 1 . 2]" 1
1630 1 95 ILE HG13 1 117 MET HB3 3.910 . 3.910 3.140 3.104 3.174 . 0 0 "[ . 1 . 2]" 1
1631 1 95 ILE HG13 1 121 VAL MG1 3.510 . 3.510 2.570 2.487 2.661 . 0 0 "[ . 1 . 2]" 1
1632 1 95 ILE HG13 1 121 VAL MG2 2.920 . 2.920 2.250 2.192 2.323 . 0 0 "[ . 1 . 2]" 1
1633 1 95 ILE MG 1 96 LYS H 3.990 . 3.990 2.965 2.953 2.981 . 0 0 "[ . 1 . 2]" 1
1634 1 95 ILE MG 1 96 LYS HA 3.130 . 3.130 3.142 3.135 3.152 0.022 18 0 "[ . 1 . 2]" 1
1635 1 95 ILE MG 1 96 LYS HB2 4.020 . 4.020 4.052 4.035 4.086 0.066 16 0 "[ . 1 . 2]" 1
1636 1 95 ILE MG 1 98 HIS HB2 5.500 . 5.500 5.515 5.470 5.532 0.032 4 0 "[ . 1 . 2]" 1
1637 1 95 ILE MG 1 98 HIS HB3 4.640 . 4.640 4.498 4.343 4.643 0.003 9 0 "[ . 1 . 2]" 1
1638 1 95 ILE MG 1 99 THR H 3.790 . 3.790 3.686 3.593 3.755 . 0 0 "[ . 1 . 2]" 1
1639 1 95 ILE MG 1 99 THR HB 3.790 . 3.790 3.372 3.253 3.452 . 0 0 "[ . 1 . 2]" 1
1640 1 95 ILE MG 1 109 PHE HD2 5.500 . 5.500 5.513 5.476 5.547 0.047 16 0 "[ . 1 . 2]" 1
1641 1 95 ILE MG 1 114 VAL HA 4.130 . 4.130 4.033 3.920 4.134 0.004 2 0 "[ . 1 . 2]" 1
1642 1 95 ILE MG 1 117 MET HB3 4.080 . 4.080 4.067 3.997 4.104 0.024 18 0 "[ . 1 . 2]" 1
1643 1 95 ILE MG 1 117 MET ME 2.950 . 2.950 2.406 2.361 2.451 . 0 0 "[ . 1 . 2]" 1
1644 1 96 LYS H 1 96 LYS HB3 3.380 . 3.380 3.116 3.092 3.148 . 0 0 "[ . 1 . 2]" 1
1645 1 96 LYS H 1 97 GLN H 4.020 . 4.020 2.803 2.785 2.819 . 0 0 "[ . 1 . 2]" 1
1646 1 96 LYS HA 1 96 LYS HB3 3.000 . 3.000 2.969 2.961 2.978 . 0 0 "[ . 1 . 2]" 1
1647 1 96 LYS HA 1 96 LYS HD2 3.460 . 3.460 3.487 3.470 3.513 0.053 18 0 "[ . 1 . 2]" 1
1648 1 96 LYS HA 1 96 LYS QE 3.680 . 3.680 3.059 2.979 3.119 . 0 0 "[ . 1 . 2]" 1
1649 1 96 LYS HA 1 96 LYS HG2 3.150 . 3.150 2.093 2.084 2.099 . 0 0 "[ . 1 . 2]" 1
1650 1 96 LYS HA 1 96 LYS HG3 3.680 . 3.680 3.441 3.430 3.447 . 0 0 "[ . 1 . 2]" 1
1651 1 96 LYS HA 1 99 THR HB 3.500 . 3.500 3.307 3.223 3.376 . 0 0 "[ . 1 . 2]" 1
1652 1 96 LYS HA 1 99 THR MG 4.670 . 4.670 4.644 4.577 4.683 0.013 4 0 "[ . 1 . 2]" 1
1653 1 96 LYS HA 1 100 VAL MG2 3.210 . 3.210 3.291 3.243 3.355 0.145 18 0 "[ . 1 . 2]" 1
1654 1 96 LYS HB2 1 97 GLN HE22 4.140 . 4.140 3.931 3.877 3.986 . 0 0 "[ . 1 . 2]" 1
1655 1 96 LYS HB3 1 96 LYS HD3 3.080 . 3.080 3.106 3.090 3.129 0.049 18 0 "[ . 1 . 2]" 1
1656 1 96 LYS HB3 1 96 LYS HE2 4.250 . 4.250 1.966 1.921 2.000 . 0 0 "[ . 1 . 2]" 1
1657 1 96 LYS HB3 1 96 LYS QE 3.670 . 3.670 1.932 1.895 1.964 . 0 0 "[ . 1 . 2]" 1
1658 1 96 LYS HB3 1 96 LYS HE3 4.250 . 4.250 2.845 2.797 2.928 . 0 0 "[ . 1 . 2]" 1
1659 1 96 LYS HB3 1 97 GLN H 3.960 . 3.960 2.807 2.719 2.960 . 0 0 "[ . 1 . 2]" 1
1660 1 96 LYS HB3 1 100 VAL MG2 4.570 . 4.570 4.453 4.410 4.509 . 0 0 "[ . 1 . 2]" 1
1661 1 96 LYS HD2 1 97 GLN HE22 5.500 . 5.500 4.959 4.870 5.035 . 0 0 "[ . 1 . 2]" 1
1662 1 96 LYS HD2 1 100 VAL MG2 4.110 . 4.110 3.068 2.929 3.321 . 0 0 "[ . 1 . 2]" 1
1663 1 96 LYS HD3 1 97 GLN HE22 5.500 . 5.500 3.864 3.771 3.937 . 0 0 "[ . 1 . 2]" 1
1664 1 96 LYS QE 1 97 GLN HA 3.840 . 3.840 3.011 2.860 3.235 . 0 0 "[ . 1 . 2]" 1
1665 1 96 LYS QE 1 100 VAL HB 4.090 . 4.090 3.176 3.057 3.345 . 0 0 "[ . 1 . 2]" 1
1666 1 96 LYS QE 1 100 VAL MG1 3.740 . 3.740 3.733 3.665 3.776 0.036 18 0 "[ . 1 . 2]" 1
1667 1 96 LYS HE2 1 100 VAL MG2 3.680 . 3.680 3.681 3.639 3.692 0.012 16 0 "[ . 1 . 2]" 1
1668 1 96 LYS HE3 1 100 VAL MG2 3.680 . 3.680 2.226 2.199 2.235 . 0 0 "[ . 1 . 2]" 1
1669 1 96 LYS HG2 1 99 THR HB 5.420 . 5.420 4.994 4.905 5.068 . 0 0 "[ . 1 . 2]" 1
1670 1 96 LYS HG2 1 100 VAL MG2 4.100 . 4.100 3.902 3.823 4.050 . 0 0 "[ . 1 . 2]" 1
1671 1 97 GLN H 1 97 GLN HB2 4.080 . 4.080 2.664 2.635 2.701 . 0 0 "[ . 1 . 2]" 1
1672 1 97 GLN H 1 97 GLN HG2 4.090 . 4.090 2.490 2.456 2.555 . 0 0 "[ . 1 . 2]" 1
1673 1 97 GLN H 1 97 GLN HG3 4.070 . 4.070 3.833 3.801 3.876 . 0 0 "[ . 1 . 2]" 1
1674 1 97 GLN H 1 99 THR HB 5.500 . 5.500 5.517 5.506 5.528 0.028 18 0 "[ . 1 . 2]" 1
1675 1 97 GLN HA 1 97 GLN HB3 2.560 . 2.560 2.397 2.378 2.421 . 0 0 "[ . 1 . 2]" 1
1676 1 97 GLN HA 1 97 GLN HE21 4.630 . 4.630 4.217 4.024 4.254 . 0 0 "[ . 1 . 2]" 1
1677 1 97 GLN HA 1 97 GLN HE22 4.110 . 4.110 4.099 3.940 4.121 0.011 18 0 "[ . 1 . 2]" 1
1678 1 97 GLN HA 1 97 GLN HG2 4.120 . 4.120 3.547 3.495 3.573 . 0 0 "[ . 1 . 2]" 1
1679 1 97 GLN HA 1 100 VAL H 5.160 . 5.160 3.834 3.771 3.868 . 0 0 "[ . 1 . 2]" 1
1680 1 97 GLN HA 1 100 VAL HB 3.280 . 3.280 3.022 2.986 3.046 . 0 0 "[ . 1 . 2]" 1
1681 1 97 GLN HA 1 100 VAL MG1 4.190 . 4.190 4.204 4.190 4.219 0.029 4 0 "[ . 1 . 2]" 1
1682 1 97 GLN HA 1 100 VAL MG2 4.000 . 4.000 3.903 3.854 3.947 . 0 0 "[ . 1 . 2]" 1
1683 1 97 GLN HA 1 101 THR H 4.440 . 4.440 3.841 3.785 3.879 . 0 0 "[ . 1 . 2]" 1
1684 1 97 GLN HA 1 101 THR MG 4.690 . 4.690 4.695 4.676 4.722 0.032 18 0 "[ . 1 . 2]" 1
1685 1 97 GLN HB2 1 98 HIS H 4.130 . 4.130 2.718 2.661 2.750 . 0 0 "[ . 1 . 2]" 1
1686 1 97 GLN HB2 1 98 HIS HA 4.480 . 4.480 4.154 4.071 4.201 . 0 0 "[ . 1 . 2]" 1
1687 1 97 GLN HB3 1 101 THR HB 4.630 . 4.630 4.242 4.171 4.317 . 0 0 "[ . 1 . 2]" 1
1688 1 98 HIS H 1 99 THR HB 4.760 . 4.760 4.771 4.764 4.780 0.020 18 0 "[ . 1 . 2]" 1
1689 1 98 HIS H 1 101 THR MG 4.510 . 4.510 4.265 4.208 4.300 . 0 0 "[ . 1 . 2]" 1
1690 1 98 HIS HA 1 101 THR H 4.370 . 4.370 3.423 3.385 3.472 . 0 0 "[ . 1 . 2]" 1
1691 1 98 HIS HA 1 101 THR HB 3.840 . 3.840 3.850 3.842 3.865 0.025 18 0 "[ . 1 . 2]" 1
1692 1 98 HIS HA 1 101 THR MG 3.440 . 3.440 1.926 1.880 1.959 . 0 0 "[ . 1 . 2]" 1
1693 1 98 HIS HA 1 102 THR HB 4.270 . 4.270 4.185 4.090 4.271 0.001 15 0 "[ . 1 . 2]" 1
1694 1 98 HIS HA 1 102 THR MG 4.300 . 4.300 4.364 4.325 4.399 0.099 18 0 "[ . 1 . 2]" 1
1695 1 98 HIS HB2 1 101 THR MG 4.190 . 4.190 4.151 4.060 4.212 0.022 11 0 "[ . 1 . 2]" 1
1696 1 98 HIS HB2 1 102 THR MG 5.500 . 5.500 5.428 5.350 5.503 0.003 6 0 "[ . 1 . 2]" 1
1697 1 98 HIS HB3 1 99 THR HA 4.330 . 4.330 3.965 3.915 4.014 . 0 0 "[ . 1 . 2]" 1
1698 1 98 HIS HB3 1 99 THR MG 5.420 . 5.420 5.172 5.117 5.222 . 0 0 "[ . 1 . 2]" 1
1699 1 98 HIS HB3 1 101 THR MG 4.350 . 4.350 4.415 4.385 4.451 0.101 18 0 "[ . 1 . 2]" 1
1700 1 98 HIS HB3 1 102 THR HB 5.140 . 5.140 5.149 5.117 5.191 0.051 18 0 "[ . 1 . 2]" 1
1701 1 98 HIS HB3 1 102 THR MG 4.940 . 4.940 4.363 4.281 4.423 . 0 0 "[ . 1 . 2]" 1
1702 1 98 HIS HB3 1 117 MET ME 5.470 . 5.470 4.460 4.313 4.597 . 0 0 "[ . 1 . 2]" 1
1703 1 99 THR H 1 99 THR HB 4.070 . 4.070 2.493 2.454 2.541 . 0 0 "[ . 1 . 2]" 1
1704 1 99 THR H 1 99 THR MG 3.980 . 3.980 3.735 3.720 3.748 . 0 0 "[ . 1 . 2]" 1
1705 1 99 THR H 1 100 VAL H 4.130 . 4.130 2.724 2.677 2.768 . 0 0 "[ . 1 . 2]" 1
1706 1 99 THR H 1 100 VAL MG2 4.600 . 4.600 4.413 4.353 4.476 . 0 0 "[ . 1 . 2]" 1
1707 1 99 THR HA 1 99 THR MG 2.640 . 2.640 2.284 2.230 2.332 . 0 0 "[ . 1 . 2]" 1
1708 1 99 THR HA 1 102 THR MG 2.510 . 2.510 2.133 2.072 2.191 . 0 0 "[ . 1 . 2]" 1
1709 1 99 THR HA 1 109 PHE HD1 3.940 . 3.940 3.946 3.937 3.952 0.012 16 0 "[ . 1 . 2]" 1
1710 1 99 THR HA 1 109 PHE HE1 4.380 . 4.380 3.831 3.645 3.917 . 0 0 "[ . 1 . 2]" 1
1711 1 99 THR HA 1 117 MET ME 4.390 . 4.390 4.061 4.015 4.127 . 0 0 "[ . 1 . 2]" 1
1712 1 99 THR HB 1 100 VAL H 4.180 . 4.180 2.715 2.655 2.776 . 0 0 "[ . 1 . 2]" 1
1713 1 99 THR HB 1 100 VAL HA 4.500 . 4.500 4.418 4.347 4.500 0.000 10 0 "[ . 1 . 2]" 1
1714 1 99 THR HB 1 100 VAL HB 4.940 . 4.940 4.838 4.770 4.924 . 0 0 "[ . 1 . 2]" 1
1715 1 99 THR HB 1 100 VAL MG2 3.690 . 3.690 3.317 3.237 3.415 . 0 0 "[ . 1 . 2]" 1
1716 1 99 THR HB 1 117 MET ME 4.300 . 4.300 4.296 4.239 4.318 0.018 5 0 "[ . 1 . 2]" 1
1717 1 99 THR MG 1 100 VAL H 4.160 . 4.160 3.660 3.593 3.702 . 0 0 "[ . 1 . 2]" 1
1718 1 99 THR MG 1 100 VAL HA 4.070 . 4.070 3.728 3.653 3.805 . 0 0 "[ . 1 . 2]" 1
1719 1 99 THR MG 1 102 THR MG 3.060 . 3.060 3.212 3.140 3.256 0.196 20 0 "[ . 1 . 2]" 1
1720 1 99 THR MG 1 103 THR H 4.460 . 4.460 4.180 4.072 4.227 . 0 0 "[ . 1 . 2]" 1
1721 1 99 THR MG 1 107 GLU HB3 5.370 . 5.370 5.114 4.977 5.190 . 0 0 "[ . 1 . 2]" 1
1722 1 99 THR MG 1 108 ASN HA 4.220 . 4.220 4.231 4.194 4.258 0.038 4 0 "[ . 1 . 2]" 1
1723 1 99 THR MG 1 109 PHE H 4.070 . 4.070 3.833 3.761 3.900 . 0 0 "[ . 1 . 2]" 1
1724 1 99 THR MG 1 109 PHE HA 5.240 . 5.240 5.046 4.991 5.116 . 0 0 "[ . 1 . 2]" 1
1725 1 99 THR MG 1 109 PHE HB2 3.300 . 3.300 2.661 2.582 2.757 . 0 0 "[ . 1 . 2]" 1
1726 1 99 THR MG 1 109 PHE HB3 4.460 . 4.460 3.930 3.859 4.018 . 0 0 "[ . 1 . 2]" 1
1727 1 99 THR MG 1 109 PHE HD1 3.190 . 3.190 2.960 2.839 3.052 . 0 0 "[ . 1 . 2]" 1
1728 1 99 THR MG 1 109 PHE HE1 4.330 . 4.330 4.208 3.966 4.340 0.010 1 0 "[ . 1 . 2]" 1
1729 1 100 VAL H 1 100 VAL HB 3.450 . 3.450 2.360 2.344 2.380 . 0 0 "[ . 1 . 2]" 1
1730 1 100 VAL H 1 100 VAL MG2 3.260 . 3.260 2.372 2.335 2.406 . 0 0 "[ . 1 . 2]" 1
1731 1 100 VAL H 1 101 THR MG 4.460 . 4.460 4.316 4.259 4.394 . 0 0 "[ . 1 . 2]" 1
1732 1 100 VAL HA 1 100 VAL MG1 2.710 . 2.710 2.489 2.477 2.502 . 0 0 "[ . 1 . 2]" 1
1733 1 100 VAL HA 1 100 VAL MG2 2.640 . 2.640 2.256 2.236 2.271 . 0 0 "[ . 1 . 2]" 1
1734 1 100 VAL HA 1 102 THR MG 4.920 . 4.920 4.280 4.220 4.375 . 0 0 "[ . 1 . 2]" 1
1735 1 100 VAL HA 1 103 THR H 4.480 . 4.480 3.629 3.590 3.665 . 0 0 "[ . 1 . 2]" 1
1736 1 100 VAL HA 1 103 THR HB 3.360 . 3.360 2.940 2.863 3.027 . 0 0 "[ . 1 . 2]" 1
1737 1 100 VAL HA 1 103 THR MG 4.410 . 4.410 4.313 4.241 4.371 . 0 0 "[ . 1 . 2]" 1
1738 1 100 VAL HA 1 104 THR HB 5.500 . 5.500 5.512 5.504 5.520 0.020 3 0 "[ . 1 . 2]" 1
1739 1 100 VAL HB 1 101 THR H 3.610 . 3.610 2.565 2.534 2.591 . 0 0 "[ . 1 . 2]" 1
1740 1 100 VAL HB 1 101 THR HB 4.420 . 4.420 4.169 4.142 4.193 . 0 0 "[ . 1 . 2]" 1
1741 1 100 VAL HB 1 101 THR MG 4.670 . 4.670 4.660 4.630 4.681 0.011 18 0 "[ . 1 . 2]" 1
1742 1 100 VAL MG1 1 101 THR H 3.600 . 3.600 3.063 3.038 3.087 . 0 0 "[ . 1 . 2]" 1
1743 1 100 VAL MG1 1 101 THR HA 3.180 . 3.180 3.032 3.003 3.089 . 0 0 "[ . 1 . 2]" 1
1744 1 100 VAL MG1 1 101 THR HB 3.790 . 3.790 3.826 3.805 3.849 0.059 18 0 "[ . 1 . 2]" 1
1745 1 100 VAL MG1 1 104 THR H 4.850 . 4.850 4.062 4.028 4.106 . 0 0 "[ . 1 . 2]" 1
1746 1 100 VAL MG1 1 104 THR HA 4.610 . 4.610 4.633 4.619 4.664 0.054 18 0 "[ . 1 . 2]" 1
1747 1 100 VAL MG1 1 104 THR HB 4.700 . 4.700 4.289 4.242 4.391 . 0 0 "[ . 1 . 2]" 1
1748 1 100 VAL MG2 1 101 THR H 4.070 . 4.070 3.978 3.960 4.001 . 0 0 "[ . 1 . 2]" 1
1749 1 100 VAL MG2 1 101 THR HA 5.490 . 5.490 5.345 5.322 5.390 . 0 0 "[ . 1 . 2]" 1
1750 1 100 VAL MG2 1 102 THR H 5.200 . 5.200 5.262 5.224 5.311 0.111 18 0 "[ . 1 . 2]" 1
1751 1 101 THR H 1 101 THR MG 3.510 . 3.510 2.485 2.457 2.505 . 0 0 "[ . 1 . 2]" 1
1752 1 101 THR H 1 102 THR H 3.630 . 3.630 2.715 2.693 2.736 . 0 0 "[ . 1 . 2]" 1
1753 1 101 THR HA 1 101 THR HB 2.640 . 2.640 2.575 2.568 2.583 . 0 0 "[ . 1 . 2]" 1
1754 1 101 THR HA 1 101 THR MG 3.310 . 3.310 3.236 3.227 3.247 . 0 0 "[ . 1 . 2]" 1
1755 1 101 THR HA 1 105 LYS QE 4.660 . 4.660 4.616 4.322 4.680 0.020 3 0 "[ . 1 . 2]" 1
1756 1 101 THR HB 1 102 THR H 4.100 . 4.100 4.057 4.036 4.077 . 0 0 "[ . 1 . 2]" 1
1757 1 101 THR MG 1 102 THR H 3.720 . 3.720 2.543 2.520 2.567 . 0 0 "[ . 1 . 2]" 1
1758 1 101 THR MG 1 102 THR HA 3.350 . 3.350 3.344 3.313 3.358 0.008 3 0 "[ . 1 . 2]" 1
1759 1 101 THR MG 1 102 THR HB 3.520 . 3.520 3.107 3.057 3.148 . 0 0 "[ . 1 . 2]" 1
1760 1 101 THR MG 1 102 THR MG 3.770 . 3.770 3.741 3.695 3.770 . 0 0 "[ . 1 . 2]" 1
1761 1 101 THR MG 1 105 LYS QE 3.990 . 3.990 3.739 3.566 3.971 . 0 0 "[ . 1 . 2]" 1
1762 1 102 THR H 1 102 THR HB 3.720 . 3.720 2.615 2.581 2.652 . 0 0 "[ . 1 . 2]" 1
1763 1 102 THR H 1 102 THR MG 3.450 . 3.450 2.173 2.127 2.229 . 0 0 "[ . 1 . 2]" 1
1764 1 102 THR H 1 103 THR H 3.740 . 3.740 2.458 2.434 2.498 . 0 0 "[ . 1 . 2]" 1
1765 1 102 THR H 1 104 THR H 4.570 . 4.570 3.658 3.588 3.713 . 0 0 "[ . 1 . 2]" 1
1766 1 102 THR HA 1 102 THR MG 3.330 . 3.330 3.214 3.194 3.227 . 0 0 "[ . 1 . 2]" 1
1767 1 102 THR HA 1 103 THR H 3.560 . 3.560 3.569 3.564 3.588 0.028 18 0 "[ . 1 . 2]" 1
1768 1 102 THR HA 1 105 LYS HB2 4.190 . 4.190 4.032 3.891 4.191 0.001 6 0 "[ . 1 . 2]" 1
1769 1 102 THR HA 1 105 LYS HD3 3.960 . 3.960 3.698 3.311 3.960 . 0 0 "[ . 1 . 2]" 1
1770 1 102 THR HA 1 105 LYS QE 3.860 . 3.860 3.039 2.603 3.707 . 0 0 "[ . 1 . 2]" 1
1771 1 102 THR HA 1 107 GLU HB2 4.140 . 4.140 4.139 4.073 4.165 0.025 18 0 "[ . 1 . 2]" 1
1772 1 102 THR HB 1 103 THR H 4.340 . 4.340 3.848 3.808 3.873 . 0 0 "[ . 1 . 2]" 1
1773 1 102 THR HB 1 107 GLU HG2 4.340 . 4.340 4.089 4.019 4.178 . 0 0 "[ . 1 . 2]" 1
1774 1 102 THR HB 1 109 PHE HE1 4.280 . 4.280 4.022 3.977 4.094 . 0 0 "[ . 1 . 2]" 1
1775 1 102 THR HB 1 109 PHE HZ 4.550 . 4.550 4.563 4.553 4.575 0.025 18 0 "[ . 1 . 2]" 1
1776 1 102 THR MG 1 103 THR H 4.040 . 4.040 1.903 1.840 1.962 . 0 0 "[ . 1 . 2]" 1
1777 1 102 THR MG 1 103 THR HA 3.860 . 3.860 3.405 3.366 3.429 . 0 0 "[ . 1 . 2]" 1
1778 1 102 THR MG 1 103 THR HB 3.660 . 3.660 3.692 3.667 3.715 0.055 4 0 "[ . 1 . 2]" 1
1779 1 102 THR MG 1 104 THR H 4.020 . 4.020 4.067 4.034 4.130 0.110 18 0 "[ . 1 . 2]" 1
1780 1 102 THR MG 1 107 GLU H 4.850 . 4.850 4.774 4.715 4.854 0.004 6 0 "[ . 1 . 2]" 1
1781 1 102 THR MG 1 107 GLU HB3 2.950 . 2.950 2.092 2.050 2.160 . 0 0 "[ . 1 . 2]" 1
1782 1 102 THR MG 1 107 GLU HG2 3.070 . 3.070 2.301 2.036 2.642 . 0 0 "[ . 1 . 2]" 1
1783 1 102 THR MG 1 107 GLU HG3 3.240 . 3.240 3.247 2.877 3.323 0.083 20 0 "[ . 1 . 2]" 1
1784 1 102 THR MG 1 108 ASN H 4.350 . 4.350 4.181 4.074 4.269 . 0 0 "[ . 1 . 2]" 1
1785 1 102 THR MG 1 108 ASN HA 4.450 . 4.450 4.449 4.391 4.474 0.024 18 0 "[ . 1 . 2]" 1
1786 1 102 THR MG 1 109 PHE HD1 4.040 . 4.040 3.088 3.024 3.185 . 0 0 "[ . 1 . 2]" 1
1787 1 102 THR MG 1 109 PHE HE1 3.850 . 3.850 1.910 1.885 1.929 . 0 0 "[ . 1 . 2]" 1
1788 1 102 THR MG 1 109 PHE HZ 3.800 . 3.800 3.090 2.992 3.160 . 0 0 "[ . 1 . 2]" 1
1789 1 103 THR H 1 103 THR HB 3.800 . 3.800 2.439 2.403 2.460 . 0 0 "[ . 1 . 2]" 1
1790 1 103 THR H 1 103 THR MG 3.950 . 3.950 3.746 3.740 3.762 . 0 0 "[ . 1 . 2]" 1
1791 1 103 THR H 1 104 THR H 3.770 . 3.770 2.557 2.506 2.607 . 0 0 "[ . 1 . 2]" 1
1792 1 103 THR H 1 105 LYS H 4.410 . 4.410 4.315 4.267 4.364 . 0 0 "[ . 1 . 2]" 1
1793 1 103 THR HA 1 103 THR MG 2.720 . 2.720 2.413 2.384 2.459 . 0 0 "[ . 1 . 2]" 1
1794 1 103 THR HA 1 106 GLY H 3.470 . 3.470 2.848 2.803 2.906 . 0 0 "[ . 1 . 2]" 1
1795 1 103 THR HA 1 106 GLY HA2 3.840 . 3.840 3.803 3.723 3.845 0.005 6 0 "[ . 1 . 2]" 1
1796 1 103 THR HA 1 106 GLY HA3 4.940 . 4.940 4.950 4.940 4.962 0.022 16 0 "[ . 1 . 2]" 1
1797 1 103 THR HA 1 107 GLU H 3.520 . 3.520 2.221 2.143 2.288 . 0 0 "[ . 1 . 2]" 1
1798 1 103 THR HA 1 107 GLU HB2 4.380 . 4.380 3.038 2.645 3.214 . 0 0 "[ . 1 . 2]" 1
1799 1 103 THR HA 1 107 GLU HB3 4.520 . 4.520 2.357 2.216 2.414 . 0 0 "[ . 1 . 2]" 1
1800 1 103 THR HA 1 107 GLU HG3 5.500 . 5.500 4.763 4.635 4.829 . 0 0 "[ . 1 . 2]" 1
1801 1 103 THR HA 1 108 ASN HA 4.790 . 4.790 4.478 4.426 4.536 . 0 0 "[ . 1 . 2]" 1
1802 1 103 THR HB 1 104 THR H 3.780 . 3.780 2.944 2.894 3.075 . 0 0 "[ . 1 . 2]" 1
1803 1 103 THR HB 1 107 GLU HB3 4.900 . 4.900 4.555 4.423 4.645 . 0 0 "[ . 1 . 2]" 1
1804 1 103 THR MG 1 104 THR H 4.220 . 4.220 3.794 3.749 3.834 . 0 0 "[ . 1 . 2]" 1
1805 1 103 THR MG 1 106 GLY H 4.430 . 4.430 4.005 3.848 4.163 . 0 0 "[ . 1 . 2]" 1
1806 1 103 THR MG 1 107 GLU H 3.900 . 3.900 2.837 2.677 2.940 . 0 0 "[ . 1 . 2]" 1
1807 1 103 THR MG 1 107 GLU HB3 3.980 . 3.980 3.905 3.736 3.992 0.012 18 0 "[ . 1 . 2]" 1
1808 1 103 THR MG 1 108 ASN HA 3.340 . 3.340 3.305 3.270 3.353 0.013 18 0 "[ . 1 . 2]" 1
1809 1 103 THR MG 1 108 ASN HB2 4.050 . 4.050 4.054 4.015 4.077 0.027 13 0 "[ . 1 . 2]" 1
1810 1 103 THR MG 1 108 ASN HB3 5.270 . 5.270 5.295 5.280 5.330 0.060 18 0 "[ . 1 . 2]" 1
1811 1 103 THR MG 1 109 PHE HD1 5.070 . 5.070 5.011 4.940 5.060 . 0 0 "[ . 1 . 2]" 1
1812 1 104 THR H 1 104 THR HB 3.910 . 3.910 2.469 2.386 2.532 . 0 0 "[ . 1 . 2]" 1
1813 1 104 THR H 1 104 THR MG 4.520 . 4.520 3.782 3.758 3.802 . 0 0 "[ . 1 . 2]" 1
1814 1 104 THR H 1 105 LYS H 3.660 . 3.660 2.828 2.814 2.842 . 0 0 "[ . 1 . 2]" 1
1815 1 104 THR HA 1 104 THR MG 2.590 . 2.590 2.476 2.436 2.523 . 0 0 "[ . 1 . 2]" 1
1816 1 104 THR HA 1 105 LYS HD3 5.060 . 5.060 4.869 4.684 5.065 0.005 12 0 "[ . 1 . 2]" 1
1817 1 104 THR HB 1 105 LYS HB2 4.770 . 4.770 4.666 4.585 4.772 0.002 7 0 "[ . 1 . 2]" 1
1818 1 104 THR HB 1 105 LYS HD2 4.720 . 4.720 3.536 2.874 3.757 . 0 0 "[ . 1 . 2]" 1
1819 1 104 THR HB 1 105 LYS HD3 4.860 . 4.860 2.611 2.429 2.893 . 0 0 "[ . 1 . 2]" 1
1820 1 104 THR HB 1 105 LYS QE 4.660 . 4.660 4.146 3.879 4.335 . 0 0 "[ . 1 . 2]" 1
1821 1 104 THR HB 1 105 LYS HG3 4.220 . 4.220 4.224 4.221 4.227 0.007 3 0 "[ . 1 . 2]" 1
1822 1 104 THR MG 1 105 LYS HD2 4.010 . 4.010 3.267 2.620 3.710 . 0 0 "[ . 1 . 2]" 1
1823 1 104 THR MG 1 105 LYS HD3 4.330 . 4.330 3.188 2.967 3.502 . 0 0 "[ . 1 . 2]" 1
1824 1 105 LYS H 1 105 LYS HB2 3.640 . 3.640 2.419 2.396 2.435 . 0 0 "[ . 1 . 2]" 1
1825 1 105 LYS H 1 105 LYS HB3 3.830 . 3.830 3.656 3.635 3.670 . 0 0 "[ . 1 . 2]" 1
1826 1 105 LYS H 1 105 LYS HD3 4.280 . 4.280 2.409 2.160 2.514 . 0 0 "[ . 1 . 2]" 1
1827 1 105 LYS H 1 105 LYS HE2 5.500 . 5.500 4.508 4.294 4.918 . 0 0 "[ . 1 . 2]" 1
1828 1 105 LYS H 1 105 LYS HE3 5.500 . 5.500 4.003 3.681 4.735 . 0 0 "[ . 1 . 2]" 1
1829 1 105 LYS H 1 105 LYS HG3 3.640 . 3.640 3.570 3.462 3.626 . 0 0 "[ . 1 . 2]" 1
1830 1 105 LYS H 1 106 GLY H 3.100 . 3.100 2.216 2.167 2.268 . 0 0 "[ . 1 . 2]" 1
1831 1 105 LYS HA 1 105 LYS HB3 2.860 . 2.860 2.512 2.487 2.527 . 0 0 "[ . 1 . 2]" 1
1832 1 105 LYS HA 1 105 LYS HG2 3.480 . 3.480 3.450 3.406 3.486 0.006 13 0 "[ . 1 . 2]" 1
1833 1 105 LYS HA 1 105 LYS HG3 3.190 . 3.190 2.305 2.275 2.348 . 0 0 "[ . 1 . 2]" 1
1834 1 105 LYS HA 1 106 GLY HA3 4.640 . 4.640 4.524 4.492 4.580 . 0 0 "[ . 1 . 2]" 1
1835 1 105 LYS HB2 1 105 LYS HD3 3.070 . 3.070 2.535 2.203 2.596 . 0 0 "[ . 1 . 2]" 1
1836 1 105 LYS HB2 1 105 LYS QE 3.920 . 3.920 2.407 2.074 3.259 . 0 0 "[ . 1 . 2]" 1
1837 1 105 LYS HB2 1 106 GLY H 4.200 . 4.200 3.333 3.110 3.433 . 0 0 "[ . 1 . 2]" 1
1838 1 105 LYS HB2 1 106 GLY HA2 5.320 . 5.320 5.304 5.146 5.335 0.015 20 0 "[ . 1 . 2]" 1
1839 1 105 LYS HB2 1 106 GLY HA3 4.710 . 4.710 4.699 4.574 4.723 0.013 3 0 "[ . 1 . 2]" 1
1840 1 105 LYS HB3 1 105 LYS QE 3.990 . 3.990 3.402 3.211 3.966 . 0 0 "[ . 1 . 2]" 1
1841 1 105 LYS HB3 1 106 GLY HA2 5.500 . 5.500 5.500 5.447 5.513 0.013 17 0 "[ . 1 . 2]" 1
1842 1 105 LYS HB3 1 106 GLY HA3 4.480 . 4.480 4.484 4.476 4.490 0.010 16 0 "[ . 1 . 2]" 1
1843 1 105 LYS HD2 1 105 LYS HG3 2.900 . 2.900 2.344 2.238 2.376 . 0 0 "[ . 1 . 2]" 1
1844 1 105 LYS HD3 1 105 LYS QE 2.560 . 2.560 2.231 2.178 2.451 . 0 0 "[ . 1 . 2]" 1
1845 1 105 LYS QE 1 105 LYS HG2 2.750 . 2.750 2.664 2.310 2.796 0.046 18 0 "[ . 1 . 2]" 1
1846 1 106 GLY H 1 107 GLU HB2 4.050 . 4.050 3.796 3.630 3.997 . 0 0 "[ . 1 . 2]" 1
1847 1 106 GLY HA2 1 107 GLU H 3.520 . 3.520 2.216 2.163 2.272 . 0 0 "[ . 1 . 2]" 1
1848 1 106 GLY HA2 1 107 GLU HB2 4.500 . 4.500 4.514 4.485 4.545 0.045 18 0 "[ . 1 . 2]" 1
1849 1 106 GLY HA3 1 107 GLU HB2 4.720 . 4.720 4.675 4.635 4.725 0.005 6 0 "[ . 1 . 2]" 1
1850 1 107 GLU H 1 107 GLU HB2 3.550 . 3.550 3.175 3.073 3.254 . 0 0 "[ . 1 . 2]" 1
1851 1 107 GLU H 1 107 GLU HB3 3.860 . 3.860 3.116 3.069 3.178 . 0 0 "[ . 1 . 2]" 1
1852 1 107 GLU H 1 108 ASN H 4.480 . 4.480 4.297 4.261 4.333 . 0 0 "[ . 1 . 2]" 1
1853 1 107 GLU HA 1 107 GLU HB2 2.760 . 2.760 2.658 2.626 2.728 . 0 0 "[ . 1 . 2]" 1
1854 1 107 GLU HA 1 107 GLU HG2 3.620 . 3.620 3.637 3.625 3.658 0.038 18 0 "[ . 1 . 2]" 1
1855 1 107 GLU HA 1 107 GLU HG3 3.020 . 3.020 2.622 2.424 3.022 0.002 14 0 "[ . 1 . 2]" 1
1856 1 107 GLU HA 1 108 ASN H 2.920 . 2.920 2.543 2.466 2.569 . 0 0 "[ . 1 . 2]" 1
1857 1 107 GLU HA 1 108 ASN HB2 4.160 . 4.160 4.169 4.162 4.187 0.027 18 0 "[ . 1 . 2]" 1
1858 1 107 GLU HA 1 108 ASN HB3 4.890 . 4.890 4.781 4.672 4.891 0.001 13 0 "[ . 1 . 2]" 1
1859 1 107 GLU HA 1 109 PHE HD1 5.500 . 5.500 5.504 5.487 5.511 0.011 13 0 "[ . 1 . 2]" 1
1860 1 107 GLU HB3 1 108 ASN H 3.270 . 3.270 3.197 3.012 3.277 0.007 18 0 "[ . 1 . 2]" 1
1861 1 107 GLU HB3 1 108 ASN HA 4.120 . 4.120 3.997 3.815 4.076 . 0 0 "[ . 1 . 2]" 1
1862 1 107 GLU HB3 1 109 PHE HD1 4.140 . 4.140 3.939 3.745 4.027 . 0 0 "[ . 1 . 2]" 1
1863 1 107 GLU HG2 1 108 ASN H 3.820 . 3.820 3.494 3.411 3.665 . 0 0 "[ . 1 . 2]" 1
1864 1 107 GLU HG2 1 109 PHE HD1 4.910 . 4.910 4.018 3.905 4.369 . 0 0 "[ . 1 . 2]" 1
1865 1 107 GLU HG2 1 109 PHE HE1 4.270 . 4.270 2.187 2.090 2.496 . 0 0 "[ . 1 . 2]" 1
1866 1 107 GLU HG2 1 109 PHE HZ 3.950 . 3.950 3.855 3.612 3.952 0.002 6 0 "[ . 1 . 2]" 1
1867 1 107 GLU HG3 1 108 ASN H 3.790 . 3.790 1.891 1.820 2.099 . 0 0 "[ . 1 . 2]" 1
1868 1 107 GLU HG3 1 108 ASN HB2 5.290 . 5.290 5.042 4.972 5.216 . 0 0 "[ . 1 . 2]" 1
1869 1 107 GLU HG3 1 108 ASN HB3 5.220 . 5.220 4.998 4.895 5.221 0.001 6 0 "[ . 1 . 2]" 1
1870 1 107 GLU HG3 1 109 PHE HD1 5.500 . 5.500 3.583 3.119 4.016 . 0 0 "[ . 1 . 2]" 1
1871 1 107 GLU HG3 1 109 PHE HE1 4.490 . 4.490 2.771 2.258 3.062 . 0 0 "[ . 1 . 2]" 1
1872 1 107 GLU HG3 1 109 PHE HZ 5.500 . 5.500 4.614 4.221 4.855 . 0 0 "[ . 1 . 2]" 1
1873 1 108 ASN H 1 108 ASN HB2 3.560 . 3.560 3.260 3.231 3.282 . 0 0 "[ . 1 . 2]" 1
1874 1 108 ASN H 1 108 ASN HB3 3.810 . 3.810 3.127 3.051 3.203 . 0 0 "[ . 1 . 2]" 1
1875 1 108 ASN H 1 109 PHE H 4.350 . 4.350 4.299 4.280 4.331 . 0 0 "[ . 1 . 2]" 1
1876 1 108 ASN HA 1 108 ASN HB2 2.730 . 2.730 2.609 2.563 2.639 . 0 0 "[ . 1 . 2]" 1
1877 1 108 ASN HA 1 108 ASN QD 3.990 . 3.990 3.356 3.039 4.013 0.023 18 0 "[ . 1 . 2]" 1
1878 1 108 ASN HA 1 109 PHE H 3.110 . 3.110 2.346 2.306 2.386 . 0 0 "[ . 1 . 2]" 1
1879 1 108 ASN HA 1 109 PHE HA 4.830 . 4.830 4.512 4.496 4.530 . 0 0 "[ . 1 . 2]" 1
1880 1 108 ASN HA 1 109 PHE HB2 4.410 . 4.410 4.378 4.342 4.415 0.005 9 0 "[ . 1 . 2]" 1
1881 1 108 ASN HA 1 109 PHE HD1 4.380 . 4.380 3.053 2.973 3.106 . 0 0 "[ . 1 . 2]" 1
1882 1 108 ASN HB2 1 108 ASN QD 3.430 . 3.430 2.262 2.097 2.697 . 0 0 "[ . 1 . 2]" 1
1883 1 108 ASN HB3 1 109 PHE H 3.950 . 3.950 3.625 3.548 3.685 . 0 0 "[ . 1 . 2]" 1
1884 1 108 ASN HB3 1 109 PHE HD1 5.010 . 5.010 5.013 5.000 5.022 0.012 16 0 "[ . 1 . 2]" 1
1885 1 108 ASN HB3 1 110 THR MG 4.790 . 4.790 4.692 4.612 4.793 0.003 15 0 "[ . 1 . 2]" 1
1886 1 109 PHE H 1 109 PHE HB2 3.700 . 3.700 2.673 2.648 2.692 . 0 0 "[ . 1 . 2]" 1
1887 1 109 PHE H 1 109 PHE HB3 3.780 . 3.780 3.771 3.753 3.783 0.003 4 0 "[ . 1 . 2]" 1
1888 1 109 PHE H 1 109 PHE HD1 4.090 . 4.090 3.030 2.966 3.084 . 0 0 "[ . 1 . 2]" 1
1889 1 109 PHE H 1 110 THR H 4.260 . 4.260 4.156 4.104 4.239 . 0 0 "[ . 1 . 2]" 1
1890 1 109 PHE H 1 110 THR MG 5.330 . 5.330 4.917 4.840 5.027 . 0 0 "[ . 1 . 2]" 1
1891 1 109 PHE H 1 113 ASP HB2 5.500 . 5.500 5.411 5.189 5.503 0.003 1 0 "[ . 1 . 2]" 1
1892 1 109 PHE HA 1 109 PHE HD1 3.440 . 3.440 3.442 3.424 3.451 0.011 4 0 "[ . 1 . 2]" 1
1893 1 109 PHE HA 1 109 PHE HD2 3.870 . 3.870 3.661 3.618 3.741 . 0 0 "[ . 1 . 2]" 1
1894 1 109 PHE HA 1 110 THR HA 5.190 . 5.190 4.460 4.439 4.478 . 0 0 "[ . 1 . 2]" 1
1895 1 109 PHE HA 1 110 THR MG 4.600 . 4.600 4.031 3.878 4.438 . 0 0 "[ . 1 . 2]" 1
1896 1 109 PHE HA 1 113 ASP H 5.110 . 5.110 4.916 4.845 4.964 . 0 0 "[ . 1 . 2]" 1
1897 1 109 PHE HA 1 113 ASP HB2 4.160 . 4.160 2.975 2.904 3.030 . 0 0 "[ . 1 . 2]" 1
1898 1 109 PHE HA 1 113 ASP HB3 4.030 . 4.030 3.039 2.868 3.187 . 0 0 "[ . 1 . 2]" 1
1899 1 109 PHE HA 1 114 VAL MG2 4.340 . 4.340 4.335 4.255 4.373 0.033 18 0 "[ . 1 . 2]" 1
1900 1 109 PHE HA 1 117 MET ME 4.890 . 4.890 4.773 4.720 4.822 . 0 0 "[ . 1 . 2]" 1
1901 1 109 PHE HB2 1 109 PHE HD1 3.430 . 3.430 2.759 2.721 2.814 . 0 0 "[ . 1 . 2]" 1
1902 1 109 PHE HB2 1 110 THR H 4.520 . 4.520 4.407 4.335 4.462 . 0 0 "[ . 1 . 2]" 1
1903 1 109 PHE HB2 1 113 ASP HB2 4.780 . 4.780 4.550 4.103 4.781 0.001 16 0 "[ . 1 . 2]" 1
1904 1 109 PHE HB2 1 113 ASP HB3 3.900 . 3.900 3.902 3.861 3.921 0.021 13 0 "[ . 1 . 2]" 1
1905 1 109 PHE HB2 1 114 VAL MG2 3.370 . 3.370 2.983 2.883 3.081 . 0 0 "[ . 1 . 2]" 1
1906 1 109 PHE HB2 1 117 MET ME 3.320 . 3.320 3.344 3.326 3.393 0.073 18 0 "[ . 1 . 2]" 1
1907 1 109 PHE HB3 1 109 PHE HD2 3.380 . 3.380 2.322 2.301 2.339 . 0 0 "[ . 1 . 2]" 1
1908 1 109 PHE HB3 1 110 THR H 4.210 . 4.210 3.508 3.398 3.618 . 0 0 "[ . 1 . 2]" 1
1909 1 109 PHE HB3 1 113 ASP HB2 3.850 . 3.850 3.002 2.523 3.261 . 0 0 "[ . 1 . 2]" 1
1910 1 109 PHE HB3 1 114 VAL HA 4.430 . 4.430 3.924 3.793 4.071 . 0 0 "[ . 1 . 2]" 1
1911 1 109 PHE HB3 1 114 VAL HB 5.040 . 5.040 4.930 4.848 4.990 . 0 0 "[ . 1 . 2]" 1
1912 1 109 PHE HB3 1 114 VAL MG2 3.380 . 3.380 2.453 2.392 2.481 . 0 0 "[ . 1 . 2]" 1
1913 1 109 PHE HB3 1 117 MET ME 3.490 . 3.490 2.846 2.814 2.875 . 0 0 "[ . 1 . 2]" 1
1914 1 109 PHE HD2 1 110 THR H 5.090 . 5.090 4.852 4.758 4.948 . 0 0 "[ . 1 . 2]" 1
1915 1 109 PHE HD2 1 113 ASP HA 4.130 . 4.130 4.138 4.115 4.152 0.022 4 0 "[ . 1 . 2]" 1
1916 1 109 PHE HD2 1 113 ASP HB2 3.860 . 3.860 3.679 3.479 3.794 . 0 0 "[ . 1 . 2]" 1
1917 1 109 PHE HD2 1 113 ASP HB3 3.780 . 3.780 1.989 1.898 2.069 . 0 0 "[ . 1 . 2]" 1
1918 1 109 PHE HD2 1 114 VAL HA 4.390 . 4.390 3.850 3.727 3.989 . 0 0 "[ . 1 . 2]" 1
1919 1 109 PHE HD2 1 114 VAL MG2 3.730 . 3.730 3.745 3.732 3.758 0.028 13 0 "[ . 1 . 2]" 1
1920 1 109 PHE HD2 1 117 MET ME 3.060 . 3.060 2.052 2.013 2.083 . 0 0 "[ . 1 . 2]" 1
1921 1 109 PHE HE2 1 117 MET ME 3.930 . 3.930 3.254 3.197 3.345 . 0 0 "[ . 1 . 2]" 1
1922 1 110 THR H 1 113 ASP H 4.380 . 4.380 3.383 3.251 3.525 . 0 0 "[ . 1 . 2]" 1
1923 1 110 THR H 1 113 ASP HB2 4.130 . 4.130 2.083 2.016 2.214 . 0 0 "[ . 1 . 2]" 1
1924 1 110 THR H 1 113 ASP HB3 4.320 . 4.320 3.333 3.214 3.520 . 0 0 "[ . 1 . 2]" 1
1925 1 110 THR HA 1 110 THR HB 2.730 . 2.730 2.573 2.525 2.718 . 0 0 "[ . 1 . 2]" 1
1926 1 110 THR HA 1 110 THR MG 2.560 . 2.560 2.344 2.226 2.388 . 0 0 "[ . 1 . 2]" 1
1927 1 110 THR HA 1 111 GLU H 3.480 . 3.480 2.445 2.421 2.529 . 0 0 "[ . 1 . 2]" 1
1928 1 110 THR HA 1 111 GLU HA 4.320 . 4.320 4.330 4.322 4.342 0.022 18 0 "[ . 1 . 2]" 1
1929 1 110 THR HA 1 111 GLU HB2 5.090 . 5.090 4.831 4.794 4.884 . 0 0 "[ . 1 . 2]" 1
1930 1 110 THR HA 1 112 THR H 4.930 . 4.930 4.545 4.402 4.759 . 0 0 "[ . 1 . 2]" 1
1931 1 110 THR HA 1 113 ASP HB2 4.560 . 4.560 4.229 4.119 4.366 . 0 0 "[ . 1 . 2]" 1
1932 1 110 THR HA 1 114 VAL H 5.250 . 5.250 4.997 4.968 5.060 . 0 0 "[ . 1 . 2]" 1
1933 1 110 THR HA 1 114 VAL MG2 4.140 . 4.140 4.189 4.150 4.258 0.118 18 0 "[ . 1 . 2]" 1
1934 1 110 THR HB 1 111 GLU H 3.620 . 3.620 2.082 1.972 2.239 . 0 0 "[ . 1 . 2]" 1
1935 1 110 THR HB 1 111 GLU HA 4.640 . 4.640 4.455 4.431 4.522 . 0 0 "[ . 1 . 2]" 1
1936 1 110 THR HB 1 111 GLU HB3 3.640 . 3.640 3.382 3.315 3.644 0.004 10 0 "[ . 1 . 2]" 1
1937 1 110 THR HB 1 112 THR H 3.950 . 3.950 2.659 2.544 2.782 . 0 0 "[ . 1 . 2]" 1
1938 1 110 THR HB 1 112 THR HB 4.590 . 4.590 4.286 4.166 4.355 . 0 0 "[ . 1 . 2]" 1
1939 1 110 THR HB 1 112 THR MG 5.500 . 5.500 5.466 5.315 5.520 0.020 4 0 "[ . 1 . 2]" 1
1940 1 110 THR MG 1 111 GLU H 3.630 . 3.630 3.322 3.029 3.430 . 0 0 "[ . 1 . 2]" 1
1941 1 110 THR MG 1 111 GLU HB3 4.640 . 4.640 4.720 4.662 4.820 0.180 18 0 "[ . 1 . 2]" 1
1942 1 110 THR MG 1 112 THR H 4.930 . 4.930 4.135 3.986 4.381 . 0 0 "[ . 1 . 2]" 1
1943 1 110 THR MG 1 112 THR HB 5.500 . 5.500 4.705 4.404 5.281 . 0 0 "[ . 1 . 2]" 1
1944 1 110 THR MG 1 113 ASP HB2 4.760 . 4.760 4.014 3.878 4.423 . 0 0 "[ . 1 . 2]" 1
1945 1 111 GLU H 1 111 GLU HB2 3.780 . 3.780 2.562 2.528 2.614 . 0 0 "[ . 1 . 2]" 1
1946 1 111 GLU H 1 111 GLU HB3 3.910 . 3.910 2.329 2.245 2.450 . 0 0 "[ . 1 . 2]" 1
1947 1 111 GLU H 1 111 GLU HG3 4.560 . 4.560 4.510 4.490 4.533 . 0 0 "[ . 1 . 2]" 1
1948 1 111 GLU H 1 112 THR H 3.860 . 3.860 2.944 2.841 3.026 . 0 0 "[ . 1 . 2]" 1
1949 1 111 GLU HA 1 111 GLU HB2 2.620 . 2.620 2.415 2.400 2.433 . 0 0 "[ . 1 . 2]" 1
1950 1 111 GLU HA 1 111 GLU HG2 3.600 . 3.600 3.198 3.122 3.270 . 0 0 "[ . 1 . 2]" 1
1951 1 111 GLU HA 1 111 GLU HG3 3.030 . 3.030 2.779 2.754 2.829 . 0 0 "[ . 1 . 2]" 1
1952 1 111 GLU HA 1 112 THR HA 4.830 . 4.830 4.771 4.745 4.807 . 0 0 "[ . 1 . 2]" 1
1953 1 111 GLU HA 1 113 ASP H 4.940 . 4.940 4.646 4.582 4.690 . 0 0 "[ . 1 . 2]" 1
1954 1 111 GLU HA 1 114 VAL HB 3.280 . 3.280 2.839 2.808 2.872 . 0 0 "[ . 1 . 2]" 1
1955 1 111 GLU HA 1 114 VAL MG2 3.290 . 3.290 3.300 3.291 3.313 0.023 18 0 "[ . 1 . 2]" 1
1956 1 111 GLU HB2 1 111 GLU HG3 2.620 . 2.620 2.453 2.440 2.469 . 0 0 "[ . 1 . 2]" 1
1957 1 111 GLU HB2 1 112 THR H 4.400 . 4.400 3.907 3.878 3.960 . 0 0 "[ . 1 . 2]" 1
1958 1 111 GLU HB2 1 115 LYS HE2 4.900 . 4.900 4.904 4.901 4.907 0.007 4 0 "[ . 1 . 2]" 1
1959 1 111 GLU HB3 1 111 GLU HG2 2.570 . 2.570 2.525 2.510 2.537 . 0 0 "[ . 1 . 2]" 1
1960 1 111 GLU HB3 1 112 THR H 3.650 . 3.650 2.461 2.421 2.535 . 0 0 "[ . 1 . 2]" 1
1961 1 111 GLU HB3 1 115 LYS HE2 4.290 . 4.290 4.035 3.927 4.136 . 0 0 "[ . 1 . 2]" 1
1962 1 111 GLU HG2 1 112 THR HB 5.470 . 5.470 5.368 5.281 5.432 . 0 0 "[ . 1 . 2]" 1
1963 1 111 GLU HG2 1 112 THR MG 4.550 . 4.550 4.566 4.542 4.610 0.060 18 0 "[ . 1 . 2]" 1
1964 1 111 GLU HG2 1 115 LYS HD3 3.570 . 3.570 3.053 2.899 3.214 . 0 0 "[ . 1 . 2]" 1
1965 1 111 GLU HG2 1 115 LYS HE3 3.960 . 3.960 3.684 3.654 3.710 . 0 0 "[ . 1 . 2]" 1
1966 1 111 GLU HG2 1 115 LYS HG3 3.930 . 3.930 2.830 2.594 3.061 . 0 0 "[ . 1 . 2]" 1
1967 1 111 GLU HG3 1 112 THR HA 4.890 . 4.890 4.797 4.715 4.873 . 0 0 "[ . 1 . 2]" 1
1968 1 111 GLU HG3 1 115 LYS H 4.730 . 4.730 4.736 4.733 4.741 0.011 16 0 "[ . 1 . 2]" 1
1969 1 111 GLU HG3 1 115 LYS HD3 3.430 . 3.430 3.435 3.431 3.442 0.012 18 0 "[ . 1 . 2]" 1
1970 1 111 GLU HG3 1 115 LYS HE2 3.800 . 3.800 3.458 3.312 3.608 . 0 0 "[ . 1 . 2]" 1
1971 1 111 GLU HG3 1 115 LYS HG3 3.780 . 3.780 3.169 3.087 3.208 . 0 0 "[ . 1 . 2]" 1
1972 1 112 THR H 1 112 THR MG 3.920 . 3.920 3.702 3.669 3.726 . 0 0 "[ . 1 . 2]" 1
1973 1 112 THR H 1 113 ASP H 3.790 . 3.790 2.747 2.699 2.784 . 0 0 "[ . 1 . 2]" 1
1974 1 112 THR H 1 113 ASP HB2 4.750 . 4.750 4.502 4.411 4.579 . 0 0 "[ . 1 . 2]" 1
1975 1 112 THR H 1 114 VAL H 4.460 . 4.460 4.111 4.056 4.135 . 0 0 "[ . 1 . 2]" 1
1976 1 112 THR H 1 115 LYS HG3 5.360 . 5.360 4.975 4.875 5.080 . 0 0 "[ . 1 . 2]" 1
1977 1 112 THR HA 1 112 THR MG 3.010 . 3.010 2.211 2.191 2.234 . 0 0 "[ . 1 . 2]" 1
1978 1 112 THR HA 1 115 LYS H 4.280 . 4.280 3.184 3.146 3.228 . 0 0 "[ . 1 . 2]" 1
1979 1 112 THR HA 1 115 LYS HA 5.500 . 5.500 5.121 5.072 5.182 . 0 0 "[ . 1 . 2]" 1
1980 1 112 THR HA 1 115 LYS HB2 3.260 . 3.260 2.281 2.246 2.330 . 0 0 "[ . 1 . 2]" 1
1981 1 112 THR HA 1 115 LYS HD2 4.830 . 4.830 4.479 4.462 4.500 . 0 0 "[ . 1 . 2]" 1
1982 1 112 THR HA 1 115 LYS HD3 5.200 . 5.200 4.461 4.430 4.487 . 0 0 "[ . 1 . 2]" 1
1983 1 112 THR HA 1 115 LYS HE2 4.430 . 4.430 2.079 2.027 2.117 . 0 0 "[ . 1 . 2]" 1
1984 1 112 THR HA 1 115 LYS HE3 3.850 . 3.850 2.492 2.438 2.535 . 0 0 "[ . 1 . 2]" 1
1985 1 112 THR HA 1 115 LYS HG3 3.760 . 3.760 3.463 3.381 3.550 . 0 0 "[ . 1 . 2]" 1
1986 1 112 THR HA 1 116 MET ME 5.360 . 5.360 4.475 4.367 4.555 . 0 0 "[ . 1 . 2]" 1
1987 1 112 THR HA 1 116 MET QG . . 4.550 3.881 3.863 3.912 . 0 0 "[ . 1 . 2]" 1
1988 1 112 THR HB 1 113 ASP HA 4.260 . 4.260 4.071 3.976 4.119 . 0 0 "[ . 1 . 2]" 1
1989 1 112 THR HB 1 113 ASP HB2 4.490 . 4.490 4.434 4.341 4.509 0.019 13 0 "[ . 1 . 2]" 1
1990 1 112 THR HB 1 115 LYS HB2 5.020 . 5.020 5.025 5.021 5.029 0.009 17 0 "[ . 1 . 2]" 1
1991 1 112 THR HB 1 115 LYS HE3 5.100 . 5.100 5.103 5.097 5.112 0.012 18 0 "[ . 1 . 2]" 1
1992 1 112 THR HB 1 116 MET ME 4.790 . 4.790 4.577 4.465 4.733 . 0 0 "[ . 1 . 2]" 1
1993 1 112 THR HB 1 116 MET QG 4.510 . 4.510 4.193 4.094 4.262 . 0 0 "[ . 1 . 2]" 1
1994 1 112 THR MG 1 113 ASP H 3.940 . 3.940 3.796 3.730 3.849 . 0 0 "[ . 1 . 2]" 1
1995 1 112 THR MG 1 113 ASP HA 4.030 . 4.030 4.034 3.988 4.079 0.049 18 0 "[ . 1 . 2]" 1
1996 1 112 THR MG 1 115 LYS H 4.520 . 4.520 4.544 4.526 4.554 0.034 19 0 "[ . 1 . 2]" 1
1997 1 112 THR MG 1 115 LYS HB2 3.590 . 3.590 3.374 3.316 3.439 . 0 0 "[ . 1 . 2]" 1
1998 1 112 THR MG 1 115 LYS HB3 4.560 . 4.560 4.336 4.296 4.421 . 0 0 "[ . 1 . 2]" 1
1999 1 112 THR MG 1 115 LYS HE3 3.630 . 3.630 2.702 2.632 2.774 . 0 0 "[ . 1 . 2]" 1
2000 1 112 THR MG 1 116 MET ME 2.900 . 2.900 2.337 2.240 2.475 . 0 0 "[ . 1 . 2]" 1
2001 1 112 THR MG 1 116 MET QG 3.580 . 3.580 2.492 2.394 2.579 . 0 0 "[ . 1 . 2]" 1
2002 1 113 ASP H 1 113 ASP HB2 4.070 . 4.070 2.061 2.025 2.172 . 0 0 "[ . 1 . 2]" 1
2003 1 113 ASP H 1 113 ASP HB3 4.080 . 4.080 3.385 3.289 3.502 . 0 0 "[ . 1 . 2]" 1
2004 1 113 ASP H 1 114 VAL H 3.740 . 3.740 2.699 2.657 2.729 . 0 0 "[ . 1 . 2]" 1
2005 1 113 ASP H 1 114 VAL MG2 4.580 . 4.580 4.261 4.195 4.303 . 0 0 "[ . 1 . 2]" 1
2006 1 113 ASP H 1 116 MET QG 5.500 . 5.500 4.527 4.420 4.618 . 0 0 "[ . 1 . 2]" 1
2007 1 113 ASP HA 1 116 MET H 4.350 . 4.350 3.751 3.677 3.848 . 0 0 "[ . 1 . 2]" 1
2008 1 113 ASP HA 1 116 MET QG 3.340 . 3.340 3.111 2.977 3.218 . 0 0 "[ . 1 . 2]" 1
2009 1 113 ASP HA 1 117 MET ME 4.570 . 4.570 4.576 4.549 4.599 0.029 16 0 "[ . 1 . 2]" 1
2010 1 113 ASP HB2 1 114 VAL HA 5.110 . 5.110 4.854 4.471 5.112 0.002 3 0 "[ . 1 . 2]" 1
2011 1 113 ASP HB2 1 114 VAL MG2 3.980 . 3.980 3.611 3.126 3.902 . 0 0 "[ . 1 . 2]" 1
2012 1 113 ASP HB2 1 117 MET ME 4.680 . 4.680 4.482 4.086 4.681 0.001 16 0 "[ . 1 . 2]" 1
2013 1 113 ASP HB3 1 114 VAL MG2 4.210 . 4.210 3.430 3.249 3.568 . 0 0 "[ . 1 . 2]" 1
2014 1 113 ASP HB3 1 117 MET ME 3.610 . 3.610 3.116 2.966 3.217 . 0 0 "[ . 1 . 2]" 1
2015 1 114 VAL H 1 114 VAL HB 3.580 . 3.580 2.492 2.472 2.502 . 0 0 "[ . 1 . 2]" 1
2016 1 114 VAL H 1 114 VAL MG1 3.880 . 3.880 3.804 3.796 3.811 . 0 0 "[ . 1 . 2]" 1
2017 1 114 VAL H 1 114 VAL MG2 3.360 . 3.360 2.292 2.241 2.318 . 0 0 "[ . 1 . 2]" 1
2018 1 114 VAL H 1 115 LYS H 3.770 . 3.770 2.596 2.566 2.623 . 0 0 "[ . 1 . 2]" 1
2019 1 114 VAL H 1 115 LYS HB2 4.500 . 4.500 4.514 4.504 4.538 0.038 18 0 "[ . 1 . 2]" 1
2020 1 114 VAL HA 1 114 VAL MG1 2.980 . 2.980 2.438 2.431 2.448 . 0 0 "[ . 1 . 2]" 1
2021 1 114 VAL HA 1 114 VAL MG2 2.960 . 2.960 2.392 2.367 2.430 . 0 0 "[ . 1 . 2]" 1
2022 1 114 VAL HA 1 115 LYS HA 4.830 . 4.830 4.830 4.820 4.833 0.003 3 0 "[ . 1 . 2]" 1
2023 1 114 VAL HA 1 116 MET HB2 5.500 . 5.500 5.302 5.231 5.362 . 0 0 "[ . 1 . 2]" 1
2024 1 114 VAL HA 1 117 MET H 4.500 . 4.500 3.390 3.308 3.448 . 0 0 "[ . 1 . 2]" 1
2025 1 114 VAL HA 1 117 MET HB2 4.720 . 4.720 2.471 2.383 2.590 . 0 0 "[ . 1 . 2]" 1
2026 1 114 VAL HA 1 117 MET HB3 4.570 . 4.570 4.103 4.016 4.247 . 0 0 "[ . 1 . 2]" 1
2027 1 114 VAL HA 1 117 MET ME 2.980 . 2.980 2.050 2.000 2.081 . 0 0 "[ . 1 . 2]" 1
2028 1 114 VAL HA 1 117 MET HG3 3.920 . 3.920 3.509 3.426 3.564 . 0 0 "[ . 1 . 2]" 1
2029 1 114 VAL HA 1 118 GLU HG3 4.760 . 4.760 4.203 4.140 4.404 . 0 0 "[ . 1 . 2]" 1
2030 1 114 VAL HB 1 115 LYS H 3.720 . 3.720 2.627 2.584 2.684 . 0 0 "[ . 1 . 2]" 1
2031 1 114 VAL HB 1 117 MET ME 4.480 . 4.480 4.351 4.296 4.400 . 0 0 "[ . 1 . 2]" 1
2032 1 114 VAL MG1 1 115 LYS H 3.810 . 3.810 3.417 3.368 3.477 . 0 0 "[ . 1 . 2]" 1
2033 1 114 VAL MG1 1 115 LYS HA 3.500 . 3.500 3.437 3.380 3.501 0.001 13 0 "[ . 1 . 2]" 1
2034 1 114 VAL MG1 1 115 LYS HG3 4.470 . 4.470 4.180 4.092 4.280 . 0 0 "[ . 1 . 2]" 1
2035 1 114 VAL MG1 1 116 MET H 5.500 . 5.500 5.121 5.059 5.158 . 0 0 "[ . 1 . 2]" 1
2036 1 114 VAL MG1 1 117 MET ME 3.070 . 3.070 2.892 2.847 2.965 . 0 0 "[ . 1 . 2]" 1
2037 1 114 VAL MG1 1 118 GLU H 4.000 . 4.000 3.758 3.715 3.801 . 0 0 "[ . 1 . 2]" 1
2038 1 114 VAL MG1 1 118 GLU HB2 4.390 . 4.390 4.402 4.366 4.414 0.024 3 0 "[ . 1 . 2]" 1
2039 1 114 VAL MG1 1 118 GLU HG3 3.270 . 3.270 2.395 2.369 2.455 . 0 0 "[ . 1 . 2]" 1
2040 1 114 VAL MG2 1 117 MET ME 2.850 . 2.850 2.502 2.428 2.572 . 0 0 "[ . 1 . 2]" 1
2041 1 115 LYS H 1 115 LYS HB2 3.300 . 3.300 2.287 2.260 2.318 . 0 0 "[ . 1 . 2]" 1
2042 1 115 LYS H 1 115 LYS HG2 3.910 . 3.910 3.589 3.549 3.651 . 0 0 "[ . 1 . 2]" 1
2043 1 115 LYS H 1 115 LYS HG3 4.220 . 4.220 2.489 2.455 2.557 . 0 0 "[ . 1 . 2]" 1
2044 1 115 LYS H 1 116 MET H 4.060 . 4.060 2.905 2.838 2.950 . 0 0 "[ . 1 . 2]" 1
2045 1 115 LYS HA 1 115 LYS HG2 3.130 . 3.130 2.379 2.348 2.403 . 0 0 "[ . 1 . 2]" 1
2046 1 115 LYS HA 1 115 LYS HG3 3.050 . 3.050 2.983 2.954 3.011 . 0 0 "[ . 1 . 2]" 1
2047 1 115 LYS HA 1 118 GLU H 4.300 . 4.300 3.326 3.271 3.374 . 0 0 "[ . 1 . 2]" 1
2048 1 115 LYS HA 1 118 GLU HB2 3.580 . 3.580 2.850 2.730 2.936 . 0 0 "[ . 1 . 2]" 1
2049 1 115 LYS HA 1 118 GLU HG2 4.350 . 4.350 4.351 4.315 4.358 0.008 13 0 "[ . 1 . 2]" 1
2050 1 115 LYS HA 1 118 GLU HG3 3.900 . 3.900 2.709 2.644 2.752 . 0 0 "[ . 1 . 2]" 1
2051 1 115 LYS HA 1 119 ARG H 5.010 . 5.010 4.504 4.436 4.564 . 0 0 "[ . 1 . 2]" 1
2052 1 115 LYS HB2 1 115 LYS HE3 3.070 . 3.070 2.376 2.354 2.411 . 0 0 "[ . 1 . 2]" 1
2053 1 115 LYS HB2 1 116 MET H 4.780 . 4.780 2.652 2.621 2.739 . 0 0 "[ . 1 . 2]" 1
2054 1 115 LYS HB3 1 115 LYS HG2 2.830 . 2.830 2.525 2.518 2.533 . 0 0 "[ . 1 . 2]" 1
2055 1 115 LYS HE2 1 115 LYS HG3 2.960 . 2.960 2.533 2.506 2.562 . 0 0 "[ . 1 . 2]" 1
2056 1 115 LYS HE3 1 115 LYS HG3 3.900 . 3.900 3.350 3.331 3.364 . 0 0 "[ . 1 . 2]" 1
2057 1 115 LYS HE3 1 116 MET ME 4.560 . 4.560 4.417 4.285 4.567 0.007 18 0 "[ . 1 . 2]" 1
2058 1 115 LYS HG2 1 118 GLU HG3 4.650 . 4.650 4.607 4.487 4.652 0.002 14 0 "[ . 1 . 2]" 1
2059 1 115 LYS HG3 1 118 GLU HG3 5.130 . 5.130 5.105 5.004 5.134 0.004 16 0 "[ . 1 . 2]" 1
2060 1 116 MET H 1 116 MET QG 3.850 . 3.850 2.155 2.111 2.208 . 0 0 "[ . 1 . 2]" 1
2061 1 116 MET H 1 117 MET H 3.830 . 3.830 2.661 2.558 2.704 . 0 0 "[ . 1 . 2]" 1
2062 1 116 MET HA 1 116 MET ME 4.250 . 4.250 4.109 4.079 4.146 . 0 0 "[ . 1 . 2]" 1
2063 1 116 MET HA 1 116 MET QG 3.610 . 3.610 3.197 3.178 3.215 . 0 0 "[ . 1 . 2]" 1
2064 1 116 MET HA 1 117 MET HA 5.500 . 5.500 4.760 4.745 4.781 . 0 0 "[ . 1 . 2]" 1
2065 1 116 MET HA 1 119 ARG H 4.310 . 4.310 3.670 3.596 3.728 . 0 0 "[ . 1 . 2]" 1
2066 1 116 MET HA 1 120 VAL H 4.280 . 4.280 4.008 3.972 4.052 . 0 0 "[ . 1 . 2]" 1
2067 1 116 MET HA 1 120 VAL HB 5.290 . 5.290 4.896 4.835 4.928 . 0 0 "[ . 1 . 2]" 1
2068 1 116 MET HA 1 120 VAL MG2 3.860 . 3.860 3.737 3.708 3.785 . 0 0 "[ . 1 . 2]" 1
2069 1 116 MET HB3 1 116 MET QG 2.730 . 2.730 2.279 2.269 2.285 . 0 0 "[ . 1 . 2]" 1
2070 1 116 MET HB3 1 120 VAL MG2 3.370 . 3.370 3.277 3.247 3.303 . 0 0 "[ . 1 . 2]" 1
2071 1 116 MET ME 1 116 MET QG 2.960 . 2.960 2.037 2.009 2.077 . 0 0 "[ . 1 . 2]" 1
2072 1 116 MET QG 1 117 MET H 4.880 . 4.880 3.843 3.798 3.879 . 0 0 "[ . 1 . 2]" 1
2073 1 117 MET H 1 117 MET HB3 3.800 . 3.800 3.609 3.593 3.633 . 0 0 "[ . 1 . 2]" 1
2074 1 117 MET H 1 117 MET ME 4.130 . 4.130 3.777 3.709 3.855 . 0 0 "[ . 1 . 2]" 1
2075 1 117 MET H 1 117 MET HG3 3.490 . 3.490 2.680 2.605 2.749 . 0 0 "[ . 1 . 2]" 1
2076 1 117 MET H 1 118 GLU H 4.090 . 4.090 2.773 2.730 2.791 . 0 0 "[ . 1 . 2]" 1
2077 1 117 MET H 1 120 VAL HB 4.850 . 4.850 4.561 4.513 4.595 . 0 0 "[ . 1 . 2]" 1
2078 1 117 MET HA 1 117 MET HG3 4.090 . 4.090 3.135 3.103 3.173 . 0 0 "[ . 1 . 2]" 1
2079 1 117 MET HA 1 120 VAL H 4.430 . 4.430 3.307 3.247 3.360 . 0 0 "[ . 1 . 2]" 1
2080 1 117 MET HA 1 120 VAL MG1 3.480 . 3.480 3.323 3.251 3.377 . 0 0 "[ . 1 . 2]" 1
2081 1 117 MET HA 1 120 VAL MG2 3.620 . 3.620 3.504 3.448 3.556 . 0 0 "[ . 1 . 2]" 1
2082 1 117 MET HA 1 121 VAL MG2 3.590 . 3.590 2.596 2.522 2.657 . 0 0 "[ . 1 . 2]" 1
2083 1 117 MET HB2 1 117 MET ME 4.510 . 4.510 2.266 2.238 2.321 . 0 0 "[ . 1 . 2]" 1
2084 1 117 MET HB2 1 118 GLU HA 4.520 . 4.520 4.387 4.355 4.423 . 0 0 "[ . 1 . 2]" 1
2085 1 117 MET HB3 1 117 MET ME 2.940 . 2.940 2.871 2.826 2.907 . 0 0 "[ . 1 . 2]" 1
2086 1 117 MET HB3 1 118 GLU H 4.090 . 4.090 3.556 3.495 3.647 . 0 0 "[ . 1 . 2]" 1
2087 1 117 MET HB3 1 118 GLU HA 4.330 . 4.330 4.133 4.073 4.231 . 0 0 "[ . 1 . 2]" 1
2088 1 117 MET HB3 1 118 GLU HG2 5.190 . 5.190 5.207 5.196 5.236 0.046 18 0 "[ . 1 . 2]" 1
2089 1 117 MET HB3 1 120 VAL HB 4.780 . 4.780 4.473 4.422 4.521 . 0 0 "[ . 1 . 2]" 1
2090 1 117 MET HB3 1 120 VAL MG1 5.500 . 5.500 4.776 4.698 4.868 . 0 0 "[ . 1 . 2]" 1
2091 1 117 MET HB3 1 121 VAL MG2 3.730 . 3.730 2.390 2.318 2.472 . 0 0 "[ . 1 . 2]" 1
2092 1 117 MET ME 1 117 MET HG3 2.860 . 2.860 2.463 2.422 2.494 . 0 0 "[ . 1 . 2]" 1
2093 1 117 MET ME 1 118 GLU HG3 5.100 . 5.100 4.855 4.689 5.106 0.006 13 0 "[ . 1 . 2]" 1
2094 1 118 GLU H 1 118 GLU HB2 3.520 . 3.520 2.492 2.452 2.521 . 0 0 "[ . 1 . 2]" 1
2095 1 118 GLU H 1 118 GLU HG3 3.880 . 3.880 2.386 2.279 2.635 . 0 0 "[ . 1 . 2]" 1
2096 1 118 GLU H 1 119 ARG H 4.040 . 4.040 2.881 2.852 2.922 . 0 0 "[ . 1 . 2]" 1
2097 1 118 GLU H 1 120 VAL H 4.390 . 4.390 4.191 4.146 4.261 . 0 0 "[ . 1 . 2]" 1
2098 1 118 GLU HA 1 118 GLU HG2 3.220 . 3.220 2.349 2.277 2.419 . 0 0 "[ . 1 . 2]" 1
2099 1 118 GLU HA 1 118 GLU HG3 3.520 . 3.520 3.164 3.103 3.302 . 0 0 "[ . 1 . 2]" 1
2100 1 118 GLU HA 1 121 VAL MG1 4.930 . 4.930 4.750 4.641 4.847 . 0 0 "[ . 1 . 2]" 1
2101 1 118 GLU HB2 1 119 ARG H 3.640 . 3.640 2.536 2.452 2.587 . 0 0 "[ . 1 . 2]" 1
2102 1 118 GLU HB2 1 119 ARG HD2 3.910 . 3.910 3.917 3.912 3.922 0.012 4 0 "[ . 1 . 2]" 1
2103 1 118 GLU HB2 1 119 ARG HD3 3.270 . 3.270 2.208 2.194 2.236 . 0 0 "[ . 1 . 2]" 1
2104 1 118 GLU HB3 1 119 ARG HA 4.560 . 4.560 4.154 4.073 4.235 . 0 0 "[ . 1 . 2]" 1
2105 1 118 GLU HB3 1 119 ARG HD3 3.920 . 3.920 2.960 2.911 2.993 . 0 0 "[ . 1 . 2]" 1
2106 1 118 GLU HG2 1 119 ARG H 5.080 . 5.080 4.883 4.834 4.910 . 0 0 "[ . 1 . 2]" 1
2107 1 118 GLU HG2 1 119 ARG HD3 5.030 . 5.030 5.044 5.037 5.055 0.025 18 0 "[ . 1 . 2]" 1
2108 1 118 GLU HG3 1 119 ARG HD3 4.550 . 4.550 4.537 4.454 4.557 0.007 18 0 "[ . 1 . 2]" 1
2109 1 119 ARG H 1 119 ARG HB2 3.610 . 3.610 3.148 3.114 3.166 . 0 0 "[ . 1 . 2]" 1
2110 1 119 ARG H 1 119 ARG HD2 4.400 . 4.400 3.496 3.394 3.541 . 0 0 "[ . 1 . 2]" 1
2111 1 119 ARG H 1 119 ARG HD3 4.570 . 4.570 2.202 2.142 2.273 . 0 0 "[ . 1 . 2]" 1
2112 1 119 ARG H 1 119 ARG HG2 3.970 . 3.970 1.931 1.870 1.974 . 0 0 "[ . 1 . 2]" 1
2113 1 119 ARG H 1 119 ARG HG3 5.010 . 5.010 3.446 3.404 3.481 . 0 0 "[ . 1 . 2]" 1
2114 1 119 ARG H 1 120 VAL H 4.070 . 4.070 2.476 2.451 2.521 . 0 0 "[ . 1 . 2]" 1
2115 1 119 ARG H 1 120 VAL HB 4.580 . 4.580 4.477 4.428 4.534 . 0 0 "[ . 1 . 2]" 1
2116 1 119 ARG HA 1 119 ARG HD2 3.210 . 3.210 3.183 2.983 3.217 0.007 20 0 "[ . 1 . 2]" 1
2117 1 119 ARG HA 1 119 ARG HD3 3.510 . 3.510 3.218 3.110 3.379 . 0 0 "[ . 1 . 2]" 1
2118 1 119 ARG HA 1 119 ARG HG2 3.770 . 3.770 3.701 3.666 3.728 . 0 0 "[ . 1 . 2]" 1
2119 1 119 ARG HA 1 119 ARG HG3 4.100 . 4.100 4.068 4.049 4.090 . 0 0 "[ . 1 . 2]" 1
2120 1 119 ARG HA 1 122 GLU HB2 4.880 . 4.880 3.673 3.516 3.785 . 0 0 "[ . 1 . 2]" 1
2121 1 119 ARG HA 1 122 GLU QG 4.160 . 4.160 4.008 3.892 4.164 0.004 15 0 "[ . 1 . 2]" 1
2122 1 119 ARG HA 1 123 GLN H 4.770 . 4.770 3.903 3.863 3.930 . 0 0 "[ . 1 . 2]" 1
2123 1 119 ARG HA 1 126 ILE MD 5.500 . 5.500 5.499 5.425 5.514 0.014 16 0 "[ . 1 . 2]" 1
2124 1 119 ARG HB2 1 119 ARG HD2 3.640 . 3.640 3.642 3.615 3.650 0.010 4 0 "[ . 1 . 2]" 1
2125 1 119 ARG HB2 1 119 ARG HD3 4.160 . 4.160 3.855 3.814 3.951 . 0 0 "[ . 1 . 2]" 1
2126 1 119 ARG HB2 1 120 VAL H 3.940 . 3.940 2.874 2.853 2.903 . 0 0 "[ . 1 . 2]" 1
2127 1 119 ARG HB2 1 121 VAL H 5.500 . 5.500 5.262 5.245 5.296 . 0 0 "[ . 1 . 2]" 1
2128 1 119 ARG HB3 1 119 ARG HD2 3.290 . 3.290 2.437 2.402 2.447 . 0 0 "[ . 1 . 2]" 1
2129 1 119 ARG HB3 1 119 ARG HD3 4.020 . 4.020 3.314 3.255 3.453 . 0 0 "[ . 1 . 2]" 1
2130 1 119 ARG HB3 1 120 VAL H 4.170 . 4.170 4.150 4.138 4.171 0.001 13 0 "[ . 1 . 2]" 1
2131 1 119 ARG HD2 1 119 ARG HG3 2.940 . 2.940 2.576 2.542 2.677 . 0 0 "[ . 1 . 2]" 1
2132 1 119 ARG HG2 1 120 VAL MG2 4.850 . 4.850 4.163 4.140 4.187 . 0 0 "[ . 1 . 2]" 1
2133 1 119 ARG HG3 1 120 VAL H 4.440 . 4.440 4.448 4.441 4.466 0.026 18 0 "[ . 1 . 2]" 1
2134 1 120 VAL H 1 120 VAL HB 3.840 . 3.840 2.303 2.273 2.337 . 0 0 "[ . 1 . 2]" 1
2135 1 120 VAL H 1 120 VAL MG2 3.530 . 3.530 2.536 2.517 2.565 . 0 0 "[ . 1 . 2]" 1
2136 1 120 VAL H 1 121 VAL H 4.030 . 4.030 2.761 2.719 2.799 . 0 0 "[ . 1 . 2]" 1
2137 1 120 VAL HA 1 120 VAL MG1 3.280 . 3.280 2.550 2.515 2.586 . 0 0 "[ . 1 . 2]" 1
2138 1 120 VAL HA 1 120 VAL MG2 3.210 . 3.210 2.275 2.264 2.290 . 0 0 "[ . 1 . 2]" 1
2139 1 120 VAL HA 1 123 GLN HB2 3.560 . 3.560 2.584 2.548 2.638 . 0 0 "[ . 1 . 2]" 1
2140 1 120 VAL HA 1 123 GLN HB3 4.330 . 4.330 4.173 4.127 4.218 . 0 0 "[ . 1 . 2]" 1
2141 1 120 VAL HA 1 123 GLN HG2 4.670 . 4.670 4.452 4.386 4.515 . 0 0 "[ . 1 . 2]" 1
2142 1 120 VAL HA 1 123 GLN HG3 3.910 . 3.910 3.224 3.175 3.260 . 0 0 "[ . 1 . 2]" 1
2143 1 120 VAL HB 1 121 VAL H 4.030 . 4.030 2.703 2.638 2.756 . 0 0 "[ . 1 . 2]" 1
2144 1 120 VAL MG1 1 121 VAL H 3.780 . 3.780 2.955 2.926 2.982 . 0 0 "[ . 1 . 2]" 1
2145 1 120 VAL MG1 1 121 VAL MG2 3.370 . 3.370 2.523 2.445 2.636 . 0 0 "[ . 1 . 2]" 1
2146 1 120 VAL MG1 1 123 GLN HB2 3.840 . 3.840 3.894 3.865 3.943 0.103 4 0 "[ . 1 . 2]" 1
2147 1 120 VAL MG1 1 123 GLN HB3 5.030 . 5.030 5.049 5.008 5.076 0.046 4 0 "[ . 1 . 2]" 1
2148 1 120 VAL MG1 1 124 MET H 4.450 . 4.450 4.160 4.086 4.234 . 0 0 "[ . 1 . 2]" 1
2149 1 120 VAL MG1 1 124 MET HB2 4.460 . 4.460 4.481 4.458 4.506 0.046 5 0 "[ . 1 . 2]" 1
2150 1 120 VAL MG1 1 124 MET ME 2.690 . 2.690 1.949 1.894 2.007 . 0 0 "[ . 1 . 2]" 1
2151 1 120 VAL MG1 1 124 MET HG2 4.660 . 4.660 4.555 4.398 4.685 0.025 18 0 "[ . 1 . 2]" 1
2152 1 120 VAL MG1 1 124 MET HG3 3.630 . 3.630 3.224 3.087 3.353 . 0 0 "[ . 1 . 2]" 1
2153 1 120 VAL MG2 1 121 VAL H 4.150 . 4.150 4.050 4.015 4.080 . 0 0 "[ . 1 . 2]" 1
2154 1 120 VAL MG2 1 123 GLN HB2 4.460 . 4.460 4.258 4.214 4.288 . 0 0 "[ . 1 . 2]" 1
2155 1 120 VAL MG2 1 123 GLN HG3 4.590 . 4.590 4.444 4.390 4.491 . 0 0 "[ . 1 . 2]" 1
2156 1 121 VAL H 1 121 VAL HB 4.180 . 4.180 2.439 2.409 2.475 . 0 0 "[ . 1 . 2]" 1
2157 1 121 VAL H 1 121 VAL MG1 4.230 . 4.230 3.678 3.663 3.689 . 0 0 "[ . 1 . 2]" 1
2158 1 121 VAL H 1 121 VAL MG2 3.740 . 3.740 2.074 2.017 2.127 . 0 0 "[ . 1 . 2]" 1
2159 1 121 VAL H 1 122 GLU H 4.260 . 4.260 2.481 2.433 2.541 . 0 0 "[ . 1 . 2]" 1
2160 1 121 VAL H 1 123 GLN HB2 5.500 . 5.500 4.945 4.884 5.040 . 0 0 "[ . 1 . 2]" 1
2161 1 121 VAL H 1 124 MET HB2 5.500 . 5.500 5.403 5.318 5.499 . 0 0 "[ . 1 . 2]" 1
2162 1 121 VAL H 1 124 MET ME 4.050 . 4.050 3.701 3.598 3.834 . 0 0 "[ . 1 . 2]" 1
2163 1 121 VAL HA 1 121 VAL MG2 3.010 . 3.010 2.359 2.298 2.400 . 0 0 "[ . 1 . 2]" 1
2164 1 121 VAL HA 1 124 MET H 4.300 . 4.300 3.263 3.168 3.392 . 0 0 "[ . 1 . 2]" 1
2165 1 121 VAL HA 1 124 MET ME 2.930 . 2.930 2.036 1.920 2.143 . 0 0 "[ . 1 . 2]" 1
2166 1 121 VAL HA 1 124 MET HG2 5.500 . 5.500 4.969 4.760 5.200 . 0 0 "[ . 1 . 2]" 1
2167 1 121 VAL HA 1 124 MET HG3 4.130 . 4.130 3.589 3.373 3.845 . 0 0 "[ . 1 . 2]" 1
2168 1 121 VAL MG1 1 122 GLU H 4.250 . 4.250 3.629 3.555 3.686 . 0 0 "[ . 1 . 2]" 1
2169 1 121 VAL MG1 1 124 MET H 5.500 . 5.500 4.580 4.527 4.687 . 0 0 "[ . 1 . 2]" 1
2170 1 121 VAL MG1 1 124 MET HB2 5.170 . 5.170 3.696 3.582 3.894 . 0 0 "[ . 1 . 2]" 1
2171 1 121 VAL MG1 1 124 MET ME 4.020 . 4.020 2.922 2.777 3.059 . 0 0 "[ . 1 . 2]" 1
2172 1 121 VAL MG1 1 125 CYS HB2 4.410 . 4.410 4.183 4.076 4.293 . 0 0 "[ . 1 . 2]" 1
2173 1 121 VAL MG2 1 124 MET ME 2.770 . 2.770 2.286 2.127 2.631 . 0 0 "[ . 1 . 2]" 1
2174 1 122 GLU H 1 122 GLU HB2 3.670 . 3.670 2.603 2.562 2.642 . 0 0 "[ . 1 . 2]" 1
2175 1 122 GLU H 1 122 GLU QG 4.180 . 4.180 3.900 3.881 3.928 . 0 0 "[ . 1 . 2]" 1
2176 1 122 GLU H 1 123 GLN H 4.110 . 4.110 2.719 2.691 2.780 . 0 0 "[ . 1 . 2]" 1
2177 1 122 GLU HA 1 122 GLU QG 3.530 . 3.530 2.502 2.445 2.588 . 0 0 "[ . 1 . 2]" 1
2178 1 122 GLU HA 1 124 MET H 4.800 . 4.800 4.322 4.267 4.381 . 0 0 "[ . 1 . 2]" 1
2179 1 122 GLU HA 1 125 CYS HB3 4.440 . 4.440 3.240 3.169 3.345 . 0 0 "[ . 1 . 2]" 1
2180 1 122 GLU HA 1 126 ILE MD 3.960 . 3.960 3.731 3.676 3.788 . 0 0 "[ . 1 . 2]" 1
2181 1 122 GLU QG 1 125 CYS HB2 4.820 . 4.820 4.834 4.815 4.878 0.058 18 0 "[ . 1 . 2]" 1
2182 1 122 GLU QG 1 125 CYS HB3 4.060 . 4.060 3.881 3.771 3.956 . 0 0 "[ . 1 . 2]" 1
2183 1 122 GLU QG 1 126 ILE H 4.050 . 4.050 4.059 3.985 4.074 0.024 15 0 "[ . 1 . 2]" 1
2184 1 122 GLU QG 1 126 ILE MD 3.050 . 3.050 2.093 2.044 2.135 . 0 0 "[ . 1 . 2]" 1
2185 1 122 GLU HG2 1 126 ILE MD 3.480 . 3.480 2.293 2.176 2.536 . 0 0 "[ . 1 . 2]" 1
2186 1 122 GLU HG3 1 126 ILE MD 3.480 . 3.480 2.463 2.238 2.656 . 0 0 "[ . 1 . 2]" 1
2187 1 123 GLN H 1 123 GLN HB2 3.340 . 3.340 2.323 2.211 2.377 . 0 0 "[ . 1 . 2]" 1
2188 1 123 GLN H 1 123 GLN HB3 3.640 . 3.640 3.556 3.509 3.594 . 0 0 "[ . 1 . 2]" 1
2189 1 123 GLN H 1 123 GLN HG2 5.420 . 5.420 2.722 2.667 2.749 . 0 0 "[ . 1 . 2]" 1
2190 1 123 GLN H 1 123 GLN HG3 3.640 . 3.640 3.202 3.169 3.280 . 0 0 "[ . 1 . 2]" 1
2191 1 123 GLN H 1 124 MET H 4.120 . 4.120 2.837 2.802 2.865 . 0 0 "[ . 1 . 2]" 1
2192 1 123 GLN HA 1 123 GLN HE22 5.050 . 5.050 5.005 4.951 5.088 0.038 5 0 "[ . 1 . 2]" 1
2193 1 123 GLN HA 1 123 GLN HG2 3.200 . 3.200 2.332 2.286 2.379 . 0 0 "[ . 1 . 2]" 1
2194 1 123 GLN HA 1 123 GLN HG3 3.690 . 3.690 3.608 3.579 3.647 . 0 0 "[ . 1 . 2]" 1
2195 1 123 GLN HA 1 126 ILE H 4.430 . 4.430 3.181 3.128 3.218 . 0 0 "[ . 1 . 2]" 1
2196 1 123 GLN HA 1 126 ILE HB 4.070 . 4.070 2.363 2.271 2.502 . 0 0 "[ . 1 . 2]" 1
2197 1 123 GLN HA 1 126 ILE MD 3.000 . 3.000 2.369 2.148 2.511 . 0 0 "[ . 1 . 2]" 1
2198 1 123 GLN HB2 1 123 GLN HE22 4.580 . 4.580 4.613 4.497 4.855 0.275 18 0 "[ . 1 . 2]" 1
2199 1 123 GLN HB2 1 123 GLN HG3 2.750 . 2.750 2.242 2.219 2.275 . 0 0 "[ . 1 . 2]" 1
2200 1 123 GLN HB3 1 126 ILE MD 4.810 . 4.810 4.598 4.400 4.720 . 0 0 "[ . 1 . 2]" 1
2201 1 123 GLN HG2 1 124 MET H 5.370 . 5.370 4.778 4.760 4.801 . 0 0 "[ . 1 . 2]" 1
2202 1 123 GLN HG2 1 126 ILE H 5.500 . 5.500 5.384 5.322 5.453 . 0 0 "[ . 1 . 2]" 1
2203 1 123 GLN HG2 1 126 ILE MD 3.450 . 3.450 3.260 3.179 3.324 . 0 0 "[ . 1 . 2]" 1
2204 1 123 GLN HG3 1 124 MET H 5.500 . 5.500 5.004 4.976 5.046 . 0 0 "[ . 1 . 2]" 1
2205 1 123 GLN HG3 1 126 ILE MD 5.160 . 5.160 4.809 4.715 4.869 . 0 0 "[ . 1 . 2]" 1
2206 1 124 MET H 1 124 MET HB2 3.580 . 3.580 2.319 2.296 2.358 . 0 0 "[ . 1 . 2]" 1
2207 1 124 MET H 1 124 MET ME 4.100 . 4.100 3.369 3.261 3.479 . 0 0 "[ . 1 . 2]" 1
2208 1 124 MET H 1 124 MET HG2 4.180 . 4.180 3.819 3.759 3.864 . 0 0 "[ . 1 . 2]" 1
2209 1 124 MET H 1 124 MET HG3 3.950 . 3.950 2.633 2.590 2.679 . 0 0 "[ . 1 . 2]" 1
2210 1 124 MET H 1 125 CYS H 4.210 . 4.210 2.596 2.546 2.646 . 0 0 "[ . 1 . 2]" 1
2211 1 124 MET H 1 126 ILE HB 5.290 . 5.290 5.003 4.946 5.059 . 0 0 "[ . 1 . 2]" 1
2212 1 124 MET HA 1 124 MET ME 4.520 . 4.520 4.454 4.370 4.507 . 0 0 "[ . 1 . 2]" 1
2213 1 124 MET HA 1 124 MET HG2 3.770 . 3.770 2.432 2.326 2.549 . 0 0 "[ . 1 . 2]" 1
2214 1 124 MET HA 1 124 MET HG3 3.830 . 3.830 2.865 2.806 2.913 . 0 0 "[ . 1 . 2]" 1
2215 1 124 MET HA 1 127 THR H 4.220 . 4.220 3.468 3.339 3.659 . 0 0 "[ . 1 . 2]" 1
2216 1 124 MET HA 1 127 THR HB 4.060 . 4.060 3.256 2.978 3.592 . 0 0 "[ . 1 . 2]" 1
2217 1 124 MET HB2 1 124 MET ME 2.960 . 2.960 2.765 2.530 2.960 0.000 5 0 "[ . 1 . 2]" 1
2218 1 124 MET HB2 1 125 CYS H 4.090 . 4.090 2.818 2.694 3.031 . 0 0 "[ . 1 . 2]" 1
2219 1 124 MET HB2 1 125 CYS HB2 5.240 . 5.240 4.443 4.304 4.596 . 0 0 "[ . 1 . 2]" 1
2220 1 124 MET HB3 1 125 CYS HA 4.340 . 4.340 4.247 4.130 4.347 0.007 18 0 "[ . 1 . 2]" 1
2221 1 124 MET ME 1 124 MET HG2 3.410 . 3.410 3.236 3.145 3.293 . 0 0 "[ . 1 . 2]" 1
2222 1 124 MET ME 1 124 MET HG3 2.870 . 2.870 2.072 2.011 2.117 . 0 0 "[ . 1 . 2]" 1
2223 1 124 MET ME 1 125 CYS H 5.090 . 5.090 4.900 4.719 5.097 0.007 10 0 "[ . 1 . 2]" 1
2224 1 125 CYS H 1 125 CYS HB2 4.150 . 4.150 2.397 2.365 2.451 . 0 0 "[ . 1 . 2]" 1
2225 1 125 CYS H 1 126 ILE H 4.350 . 4.350 2.621 2.479 2.706 . 0 0 "[ . 1 . 2]" 1
2226 1 125 CYS HA 1 128 GLN HB2 4.270 . 4.270 2.196 2.114 2.360 . 0 0 "[ . 1 . 2]" 1
2227 1 125 CYS HA 1 128 GLN HB3 4.070 . 4.070 3.683 3.527 4.010 . 0 0 "[ . 1 . 2]" 1
2228 1 125 CYS HA 1 129 TYR H 4.890 . 4.890 4.366 4.311 4.489 . 0 0 "[ . 1 . 2]" 1
2229 1 125 CYS HB2 1 126 ILE MD 4.740 . 4.740 4.767 4.747 4.795 0.055 18 0 "[ . 1 . 2]" 1
2230 1 125 CYS HB3 1 126 ILE MD 4.090 . 4.090 3.417 3.391 3.461 . 0 0 "[ . 1 . 2]" 1
2231 1 126 ILE H 1 126 ILE HB 3.710 . 3.710 2.231 2.195 2.285 . 0 0 "[ . 1 . 2]" 1
2232 1 126 ILE H 1 126 ILE MD 3.590 . 3.590 2.538 2.456 2.600 . 0 0 "[ . 1 . 2]" 1
2233 1 126 ILE H 1 126 ILE HG12 4.620 . 4.620 4.331 4.286 4.372 . 0 0 "[ . 1 . 2]" 1
2234 1 126 ILE H 1 126 ILE HG13 4.890 . 4.890 3.605 3.564 3.640 . 0 0 "[ . 1 . 2]" 1
2235 1 126 ILE H 1 126 ILE MG 3.870 . 3.870 3.680 3.648 3.723 . 0 0 "[ . 1 . 2]" 1
2236 1 126 ILE H 1 127 THR H 3.970 . 3.970 2.785 2.729 2.864 . 0 0 "[ . 1 . 2]" 1
2237 1 126 ILE HA 1 126 ILE MD 3.350 . 3.350 3.191 3.146 3.238 . 0 0 "[ . 1 . 2]" 1
2238 1 126 ILE HA 1 126 ILE HG13 3.620 . 3.620 2.139 2.104 2.193 . 0 0 "[ . 1 . 2]" 1
2239 1 126 ILE HA 1 126 ILE MG 3.170 . 3.170 2.851 2.808 2.892 . 0 0 "[ . 1 . 2]" 1
2240 1 126 ILE HA 1 127 THR HA 4.820 . 4.820 4.779 4.758 4.812 . 0 0 "[ . 1 . 2]" 1
2241 1 126 ILE HA 1 129 TYR H 4.470 . 4.470 3.290 3.220 3.359 . 0 0 "[ . 1 . 2]" 1
2242 1 126 ILE HA 1 129 TYR HB2 4.120 . 4.120 2.574 2.447 2.684 . 0 0 "[ . 1 . 2]" 1
2243 1 126 ILE HA 1 129 TYR HB3 4.340 . 4.340 3.690 3.550 3.833 . 0 0 "[ . 1 . 2]" 1
2244 1 126 ILE HA 1 129 TYR HD2 4.940 . 4.940 3.688 3.580 3.865 . 0 0 "[ . 1 . 2]" 1
2245 1 126 ILE HB 1 126 ILE MD 2.990 . 2.990 2.197 2.171 2.239 . 0 0 "[ . 1 . 2]" 1
2246 1 126 ILE HB 1 127 THR H 3.780 . 3.780 2.928 2.888 2.985 . 0 0 "[ . 1 . 2]" 1
2247 1 126 ILE MD 1 127 THR H 4.430 . 4.430 4.451 4.432 4.488 0.058 18 0 "[ . 1 . 2]" 1
2248 1 126 ILE MG 1 127 THR H 3.730 . 3.730 2.841 2.826 2.862 . 0 0 "[ . 1 . 2]" 1
2249 1 126 ILE MG 1 127 THR HA 3.330 . 3.330 2.995 2.985 3.015 . 0 0 "[ . 1 . 2]" 1
2250 1 126 ILE MG 1 127 THR HB 4.570 . 4.570 4.595 4.578 4.618 0.048 4 0 "[ . 1 . 2]" 1
2251 1 126 ILE MG 1 127 THR MG 4.550 . 4.550 4.323 4.288 4.364 . 0 0 "[ . 1 . 2]" 1
2252 1 126 ILE MG 1 129 TYR HB2 4.960 . 4.960 4.070 4.026 4.128 . 0 0 "[ . 1 . 2]" 1
2253 1 126 ILE MG 1 129 TYR HB3 4.200 . 4.200 3.944 3.870 4.047 . 0 0 "[ . 1 . 2]" 1
2254 1 126 ILE MG 1 129 TYR HD2 5.230 . 5.230 5.174 5.039 5.252 0.022 4 0 "[ . 1 . 2]" 1
2255 1 126 ILE MG 1 130 GLU H 5.090 . 5.090 4.784 4.703 4.886 . 0 0 "[ . 1 . 2]" 1
2256 1 126 ILE MG 1 130 GLU HG2 5.110 . 5.110 4.521 4.352 4.738 . 0 0 "[ . 1 . 2]" 1
2257 1 126 ILE MG 1 130 GLU HG3 5.080 . 5.080 4.217 3.996 4.675 . 0 0 "[ . 1 . 2]" 1
2258 1 127 THR H 1 127 THR HB 3.820 . 3.820 2.616 2.578 2.644 . 0 0 "[ . 1 . 2]" 1
2259 1 127 THR H 1 127 THR MG 4.030 . 4.030 3.826 3.808 3.847 . 0 0 "[ . 1 . 2]" 1
2260 1 127 THR H 1 128 GLN H 4.050 . 4.050 2.603 2.559 2.673 . 0 0 "[ . 1 . 2]" 1
2261 1 127 THR HA 1 127 THR MG 2.840 . 2.840 2.322 2.289 2.345 . 0 0 "[ . 1 . 2]" 1
2262 1 127 THR HA 1 128 GLN HA 5.080 . 5.080 4.795 4.773 4.836 . 0 0 "[ . 1 . 2]" 1
2263 1 127 THR HA 1 129 TYR H 4.510 . 4.510 3.782 3.744 3.834 . 0 0 "[ . 1 . 2]" 1
2264 1 127 THR HA 1 130 GLU H 4.610 . 4.610 3.623 3.520 3.726 . 0 0 "[ . 1 . 2]" 1
2265 1 127 THR HA 1 130 GLU HB2 4.900 . 4.900 4.353 3.948 4.556 . 0 0 "[ . 1 . 2]" 1
2266 1 127 THR HA 1 130 GLU HG2 4.590 . 4.590 4.244 4.076 4.489 . 0 0 "[ . 1 . 2]" 1
2267 1 127 THR HA 1 130 GLU HG3 3.740 . 3.740 2.808 2.501 3.745 0.005 18 0 "[ . 1 . 2]" 1
2268 1 127 THR HB 1 128 GLN H 4.190 . 4.190 2.648 2.594 2.741 . 0 0 "[ . 1 . 2]" 1
2269 1 127 THR HB 1 128 GLN HA 5.010 . 5.010 4.252 4.211 4.322 . 0 0 "[ . 1 . 2]" 1
2270 1 127 THR HB 1 128 GLN HB2 4.940 . 4.940 4.530 4.395 4.859 . 0 0 "[ . 1 . 2]" 1
2271 1 127 THR HB 1 128 GLN HG3 4.930 . 4.930 4.138 3.690 4.441 . 0 0 "[ . 1 . 2]" 1
2272 1 127 THR HB 1 131 ARG HG3 4.960 . 4.960 4.868 4.763 4.960 . 7 0 "[ . 1 . 2]" 1
2273 1 127 THR MG 1 128 GLN H 4.330 . 4.330 3.622 3.595 3.650 . 0 0 "[ . 1 . 2]" 1
2274 1 127 THR MG 1 128 GLN HA 3.610 . 3.610 3.639 3.617 3.683 0.073 18 0 "[ . 1 . 2]" 1
2275 1 127 THR MG 1 128 GLN HG3 4.740 . 4.740 4.172 4.024 4.295 . 0 0 "[ . 1 . 2]" 1
2276 1 127 THR MG 1 129 TYR H 4.740 . 4.740 4.710 4.678 4.742 0.002 10 0 "[ . 1 . 2]" 1
2277 1 127 THR MG 1 130 GLU HB2 4.290 . 4.290 3.993 3.784 4.179 . 0 0 "[ . 1 . 2]" 1
2278 1 127 THR MG 1 130 GLU HG2 5.270 . 5.270 5.137 4.987 5.276 0.006 4 0 "[ . 1 . 2]" 1
2279 1 127 THR MG 1 130 GLU HG3 4.320 . 4.320 3.716 3.535 4.190 . 0 0 "[ . 1 . 2]" 1
2280 1 127 THR MG 1 131 ARG HD2 3.520 . 3.520 2.969 2.685 3.530 0.010 19 0 "[ . 1 . 2]" 1
2281 1 127 THR MG 1 131 ARG HD3 4.520 . 4.520 4.344 4.023 4.539 0.019 12 0 "[ . 1 . 2]" 1
2282 1 127 THR MG 1 131 ARG HG2 3.770 . 3.770 3.816 3.780 3.863 0.093 18 0 "[ . 1 . 2]" 1
2283 1 127 THR MG 1 131 ARG HG3 3.170 . 3.170 3.097 2.881 3.181 0.011 6 0 "[ . 1 . 2]" 1
2284 1 128 GLN H 1 128 GLN HB2 4.130 . 4.130 2.178 2.071 2.316 . 0 0 "[ . 1 . 2]" 1
2285 1 128 GLN H 1 131 ARG HG3 4.960 . 4.960 4.455 4.368 4.658 . 0 0 "[ . 1 . 2]" 1
2286 1 128 GLN HA 1 128 GLN HG3 3.690 . 3.690 2.282 2.045 2.813 . 0 0 "[ . 1 . 2]" 1
2287 1 128 GLN HA 1 130 GLU H 4.290 . 4.290 4.157 4.095 4.208 . 0 0 "[ . 1 . 2]" 1
2288 1 128 GLN HA 1 131 ARG HA 5.130 . 5.130 4.942 4.792 5.079 . 0 0 "[ . 1 . 2]" 1
2289 1 128 GLN HA 1 131 ARG HB2 4.090 . 4.090 2.532 2.331 2.734 . 0 0 "[ . 1 . 2]" 1
2290 1 128 GLN HA 1 131 ARG HD2 3.730 . 3.730 2.769 2.131 3.459 . 0 0 "[ . 1 . 2]" 1
2291 1 128 GLN HA 1 131 ARG HD3 3.740 . 3.740 2.841 2.423 3.742 0.002 19 0 "[ . 1 . 2]" 1
2292 1 128 GLN HA 1 131 ARG HG2 4.080 . 4.080 3.815 3.735 4.020 . 0 0 "[ . 1 . 2]" 1
2293 1 128 GLN HA 1 131 ARG HG3 3.480 . 3.480 2.211 2.068 2.566 . 0 0 "[ . 1 . 2]" 1
2294 1 128 GLN HB2 1 129 TYR HA 5.050 . 5.050 4.962 4.643 5.067 0.017 3 0 "[ . 1 . 2]" 1
2295 1 128 GLN HB3 1 128 GLN HE22 5.300 . 5.300 4.661 4.589 4.738 . 0 0 "[ . 1 . 2]" 1
2296 1 128 GLN HG2 1 131 ARG HD3 4.720 . 4.720 3.033 2.353 4.252 . 0 0 "[ . 1 . 2]" 1
2297 1 128 GLN HG3 1 131 ARG HD2 5.130 . 5.130 3.006 2.045 4.321 . 0 0 "[ . 1 . 2]" 1
2298 1 128 GLN HG3 1 131 ARG HD3 3.630 . 3.630 3.023 2.380 3.636 0.006 4 0 "[ . 1 . 2]" 1
2299 1 129 TYR H 1 130 GLU H 4.500 . 4.500 2.738 2.658 2.781 . 0 0 "[ . 1 . 2]" 1
2300 1 129 TYR H 1 131 ARG HG3 5.450 . 5.450 4.668 4.534 4.930 . 0 0 "[ . 1 . 2]" 1
2301 1 129 TYR HA 1 129 TYR HD1 4.830 . 4.830 3.403 3.287 3.461 . 0 0 "[ . 1 . 2]" 1
2302 1 129 TYR HA 1 129 TYR HD2 4.630 . 4.630 3.707 3.652 3.798 . 0 0 "[ . 1 . 2]" 1
2303 1 129 TYR HA 1 129 TYR HE1 5.180 . 5.180 5.157 5.073 5.187 0.007 6 0 "[ . 1 . 2]" 1
2304 1 129 TYR HA 1 129 TYR HE2 5.500 . 5.500 5.376 5.319 5.453 . 0 0 "[ . 1 . 2]" 1
2305 1 129 TYR HA 1 130 GLU HG2 5.110 . 5.110 5.135 5.119 5.145 0.035 16 0 "[ . 1 . 2]" 1
2306 1 129 TYR HA 1 131 ARG H 4.440 . 4.440 4.268 4.178 4.351 . 0 0 "[ . 1 . 2]" 1
2307 1 129 TYR HA 1 132 GLU HB2 4.330 . 4.330 4.136 4.045 4.295 . 0 0 "[ . 1 . 2]" 1
2308 1 129 TYR HA 1 132 GLU HB3 4.390 . 4.390 3.703 3.568 3.885 . 0 0 "[ . 1 . 2]" 1
2309 1 129 TYR HA 1 133 SER QB . . 4.890 4.189 4.083 4.294 . 0 0 "[ . 1 . 2]" 1
2310 1 129 TYR HB2 1 130 GLU HG2 4.660 . 4.660 4.514 4.446 4.646 . 0 0 "[ . 1 . 2]" 1
2311 1 129 TYR HD1 1 130 GLU HA 4.250 . 4.250 2.978 2.909 3.056 . 0 0 "[ . 1 . 2]" 1
2312 1 129 TYR HD1 1 136 TYR HE2 5.010 . 5.010 4.698 4.513 4.777 . 0 0 "[ . 1 . 2]" 1
2313 1 129 TYR HE1 1 130 GLU HA 5.130 . 5.130 4.973 4.828 5.082 . 0 0 "[ . 1 . 2]" 1
2314 1 129 TYR HE1 1 133 SER QB 4.190 . 4.190 2.645 2.594 2.695 . 0 0 "[ . 1 . 2]" 1
2315 1 129 TYR HE1 1 136 TYR HE2 3.600 . 3.600 3.499 3.232 3.605 0.005 19 0 "[ . 1 . 2]" 1
2316 1 130 GLU H 1 130 GLU HB2 3.830 . 3.830 2.736 2.399 2.809 . 0 0 "[ . 1 . 2]" 1
2317 1 130 GLU H 1 130 GLU HG2 3.860 . 3.860 2.295 2.151 2.388 . 0 0 "[ . 1 . 2]" 1
2318 1 130 GLU H 1 130 GLU HG3 4.240 . 4.240 1.985 1.697 3.225 . 0 0 "[ . 1 . 2]" 1
2319 1 130 GLU H 1 131 ARG H 4.450 . 4.450 2.520 2.511 2.533 . 0 0 "[ . 1 . 2]" 1
2320 1 130 GLU H 1 131 ARG HA 5.170 . 5.170 5.175 5.172 5.181 0.011 18 0 "[ . 1 . 2]" 1
2321 1 130 GLU HA 1 130 GLU HG2 3.460 . 3.460 2.680 2.523 2.728 . 0 0 "[ . 1 . 2]" 1
2322 1 130 GLU HA 1 130 GLU HG3 3.900 . 3.900 3.604 3.544 3.807 . 0 0 "[ . 1 . 2]" 1
2323 1 130 GLU HA 1 131 ARG HA 5.010 . 5.010 4.782 4.760 4.811 . 0 0 "[ . 1 . 2]" 1
2324 1 130 GLU HA 1 133 SER HA 5.070 . 5.070 5.073 5.059 5.082 0.012 4 0 "[ . 1 . 2]" 1
2325 1 130 GLU HA 1 133 SER QB . . 3.830 2.141 2.116 2.195 . 0 0 "[ . 1 . 2]" 1
2326 1 130 GLU HB2 1 131 ARG HA 5.180 . 5.180 4.065 3.995 4.314 . 0 0 "[ . 1 . 2]" 1
2327 1 130 GLU HB2 1 131 ARG HG2 4.340 . 4.340 3.910 3.660 4.197 . 0 0 "[ . 1 . 2]" 1
2328 1 130 GLU HB2 1 131 ARG HG3 4.200 . 4.200 3.602 3.406 3.904 . 0 0 "[ . 1 . 2]" 1
2329 1 130 GLU HB2 1 132 GLU H 5.400 . 5.400 5.236 5.153 5.295 . 0 0 "[ . 1 . 2]" 1
2330 1 130 GLU HB2 1 133 SER QB 5.050 . 5.050 4.796 4.764 4.857 . 0 0 "[ . 1 . 2]" 1
2331 1 130 GLU HB3 1 131 ARG H 4.660 . 4.660 4.030 3.815 4.084 . 0 0 "[ . 1 . 2]" 1
2332 1 130 GLU HB3 1 133 SER QB 4.460 . 4.460 4.129 4.089 4.227 . 0 0 "[ . 1 . 2]" 1
2333 1 130 GLU HG2 1 133 SER QB 4.680 . 4.680 4.388 4.242 4.428 . 0 0 "[ . 1 . 2]" 1
2334 1 131 ARG H 1 131 ARG HG2 4.290 . 4.290 3.094 2.919 3.341 . 0 0 "[ . 1 . 2]" 1
2335 1 131 ARG H 1 131 ARG HG3 4.650 . 4.650 2.117 1.998 2.319 . 0 0 "[ . 1 . 2]" 1
2336 1 131 ARG HA 1 131 ARG HB3 2.980 . 2.980 2.429 2.406 2.474 . 0 0 "[ . 1 . 2]" 1
2337 1 131 ARG HA 1 131 ARG HD3 4.520 . 4.520 4.491 4.309 4.539 0.019 4 0 "[ . 1 . 2]" 1
2338 1 131 ARG HA 1 131 ARG HG2 3.130 . 3.130 2.595 2.440 2.665 . 0 0 "[ . 1 . 2]" 1
2339 1 131 ARG HA 1 131 ARG HG3 3.500 . 3.500 3.318 3.170 3.451 . 0 0 "[ . 1 . 2]" 1
2340 1 131 ARG HB2 1 131 ARG HD3 3.460 . 3.460 2.543 2.335 3.066 . 0 0 "[ . 1 . 2]" 1
2341 1 131 ARG HB3 1 131 ARG HD3 3.750 . 3.750 2.563 2.343 2.750 . 0 0 "[ . 1 . 2]" 1
2342 1 131 ARG HB3 1 131 ARG HG2 2.880 . 2.880 2.575 2.511 2.652 . 0 0 "[ . 1 . 2]" 1
2343 1 131 ARG HD2 1 131 ARG HG3 2.590 . 2.590 2.286 2.216 2.428 . 0 0 "[ . 1 . 2]" 1
2344 1 132 GLU H 1 132 GLU HB2 4.180 . 4.180 2.307 2.243 2.373 . 0 0 "[ . 1 . 2]" 1
2345 1 132 GLU HA 1 132 GLU HB2 2.980 . 2.980 2.666 2.619 2.716 . 0 0 "[ . 1 . 2]" 1
2346 1 132 GLU HA 1 135 ALA MB 3.110 . 3.110 2.990 2.788 3.132 0.022 4 0 "[ . 1 . 2]" 1
2347 1 132 GLU HB3 1 133 SER QB 5.090 . 5.090 4.463 4.381 4.525 . 0 0 "[ . 1 . 2]" 1
2348 1 133 SER H 1 134 GLN H 4.090 . 4.090 2.572 2.507 2.630 . 0 0 "[ . 1 . 2]" 1
2349 1 133 SER H 1 134 GLN HB3 5.000 . 5.000 4.820 4.735 4.948 . 0 0 "[ . 1 . 2]" 1
2350 1 133 SER HA 1 136 TYR H 4.480 . 4.480 3.604 3.502 3.678 . 0 0 "[ . 1 . 2]" 1
2351 1 133 SER HA 1 136 TYR HB3 4.550 . 4.550 4.559 4.553 4.574 0.024 4 0 "[ . 1 . 2]" 1
2352 1 133 SER HA 1 136 TYR QD 3.750 . 3.750 2.307 2.254 2.369 . 0 0 "[ . 1 . 2]" 1
2353 1 133 SER HA 1 136 TYR HE2 3.840 . 3.840 2.052 1.988 2.120 . 0 0 "[ . 1 . 2]" 1
2354 1 133 SER QB 1 136 TYR QD 4.370 . 4.370 4.103 4.041 4.146 . 0 0 "[ . 1 . 2]" 1
2355 1 133 SER QB 1 136 TYR HE2 3.840 . 3.840 2.527 2.327 2.648 . 0 0 "[ . 1 . 2]" 1
2356 1 134 GLN H 1 134 GLN HB3 3.320 . 3.320 2.473 2.438 2.531 . 0 0 "[ . 1 . 2]" 1
2357 1 134 GLN H 1 134 GLN HG2 4.610 . 4.610 4.471 4.438 4.517 . 0 0 "[ . 1 . 2]" 1
2358 1 134 GLN H 1 134 GLN HG3 4.470 . 4.470 4.439 4.399 4.470 0.000 19 0 "[ . 1 . 2]" 1
2359 1 134 GLN H 1 135 ALA MB 4.430 . 4.430 4.343 4.249 4.432 0.002 20 0 "[ . 1 . 2]" 1
2360 1 134 GLN HA 1 134 GLN HE21 5.500 . 5.500 4.042 3.270 4.308 . 0 0 "[ . 1 . 2]" 1
2361 1 134 GLN HA 1 134 GLN QE 4.700 . 4.700 3.930 3.215 4.162 . 0 0 "[ . 1 . 2]" 1
2362 1 134 GLN HA 1 134 GLN HE22 5.500 . 5.500 5.380 4.749 5.505 0.005 12 0 "[ . 1 . 2]" 1
2363 1 134 GLN HA 1 134 GLN HG2 3.520 . 3.520 3.418 3.380 3.531 0.011 1 0 "[ . 1 . 2]" 1
2364 1 134 GLN HA 1 134 GLN HG3 2.830 . 2.830 2.461 2.356 2.496 . 0 0 "[ . 1 . 2]" 1
2365 1 134 GLN HA 1 136 TYR HE2 5.500 . 5.500 5.528 5.508 5.548 0.048 18 0 "[ . 1 . 2]" 1
2366 1 134 GLN HA 1 137 TYR H 4.120 . 4.120 3.435 3.330 3.546 . 0 0 "[ . 1 . 2]" 1
2367 1 134 GLN HA 1 137 TYR HB2 3.550 . 3.550 3.323 3.218 3.426 . 0 0 "[ . 1 . 2]" 1
2368 1 134 GLN HA 1 137 TYR HB3 3.620 . 3.620 2.860 2.541 3.061 . 0 0 "[ . 1 . 2]" 1
2369 1 134 GLN HA 1 137 TYR HD2 4.480 . 4.480 4.433 4.222 4.488 0.008 13 0 "[ . 1 . 2]" 1
2370 1 134 GLN HB3 1 134 GLN HG2 2.680 . 2.680 2.330 2.227 2.357 . 0 0 "[ . 1 . 2]" 1
2371 1 134 GLN HB3 1 135 ALA H 3.450 . 3.450 3.069 2.915 3.181 . 0 0 "[ . 1 . 2]" 1
2372 1 134 GLN HB3 1 135 ALA MB 4.420 . 4.420 4.305 4.214 4.386 . 0 0 "[ . 1 . 2]" 1
2373 1 134 GLN HG2 1 135 ALA H 4.550 . 4.550 4.220 4.058 4.485 . 0 0 "[ . 1 . 2]" 1
2374 1 134 GLN HG2 1 135 ALA MB 4.930 . 4.930 4.856 4.739 5.006 0.076 1 0 "[ . 1 . 2]" 1
2375 1 134 GLN HG3 1 135 ALA H 4.780 . 4.780 4.765 4.598 4.789 0.009 20 0 "[ . 1 . 2]" 1
2376 1 134 GLN HG3 1 135 ALA HA 4.950 . 4.950 4.943 4.695 4.961 0.011 18 0 "[ . 1 . 2]" 1
2377 1 134 GLN HG3 1 137 TYR HB2 5.500 . 5.500 5.156 5.020 5.316 . 0 0 "[ . 1 . 2]" 1
2378 1 134 GLN HG3 1 137 TYR HB3 4.220 . 4.220 3.904 3.601 4.135 . 0 0 "[ . 1 . 2]" 1
2379 1 134 GLN HG3 1 137 TYR HD2 5.180 . 5.180 4.882 4.636 5.148 . 0 0 "[ . 1 . 2]" 1
2380 1 135 ALA H 1 135 ALA MB 3.140 . 3.140 2.246 2.200 2.265 . 0 0 "[ . 1 . 2]" 1
2381 1 135 ALA H 1 136 TYR H 3.800 . 3.800 2.853 2.771 2.947 . 0 0 "[ . 1 . 2]" 1
2382 1 135 ALA H 1 137 TYR H 4.540 . 4.540 3.986 3.847 4.098 . 0 0 "[ . 1 . 2]" 1
2383 1 135 ALA HA 1 138 GLN HB2 2.780 . 2.780 2.674 2.504 2.789 0.009 16 0 "[ . 1 . 2]" 1
2384 1 135 ALA HA 1 138 GLN HB3 3.610 . 3.610 3.543 3.464 3.614 0.004 1 0 "[ . 1 . 2]" 1
2385 1 135 ALA HA 1 138 GLN QG 4.300 . 4.300 4.101 3.862 4.315 0.015 9 0 "[ . 1 . 2]" 1
2386 1 135 ALA MB 1 136 TYR H 3.880 . 3.880 2.442 2.320 2.573 . 0 0 "[ . 1 . 2]" 1
2387 1 135 ALA MB 1 136 TYR HA 3.950 . 3.950 3.834 3.795 3.925 . 0 0 "[ . 1 . 2]" 1
2388 1 135 ALA MB 1 136 TYR QD 4.070 . 4.070 4.045 4.030 4.083 0.013 1 0 "[ . 1 . 2]" 1
2389 1 135 ALA MB 1 138 GLN H 4.590 . 4.590 4.502 4.428 4.599 0.009 3 0 "[ . 1 . 2]" 1
2390 1 135 ALA MB 1 138 GLN HB2 4.510 . 4.510 4.268 4.072 4.386 . 0 0 "[ . 1 . 2]" 1
2391 1 135 ALA MB 1 138 GLN HB3 4.580 . 4.580 4.589 4.542 4.617 0.037 20 0 "[ . 1 . 2]" 1
2392 1 136 TYR H 1 136 TYR HB2 3.880 . 3.880 3.649 3.618 3.678 . 0 0 "[ . 1 . 2]" 1
2393 1 136 TYR H 1 136 TYR HB3 3.820 . 3.820 2.497 2.415 2.591 . 0 0 "[ . 1 . 2]" 1
2394 1 136 TYR H 1 137 TYR H 3.930 . 3.930 2.519 2.373 2.626 . 0 0 "[ . 1 . 2]" 1
2395 1 136 TYR H 1 137 TYR HA 5.450 . 5.450 5.201 5.090 5.283 . 0 0 "[ . 1 . 2]" 1
2396 1 136 TYR H 1 138 GLN HB2 5.300 . 5.300 5.165 4.960 5.301 0.001 14 0 "[ . 1 . 2]" 1
2397 1 136 TYR HA 1 136 TYR QD 3.890 . 3.890 3.669 3.656 3.683 . 0 0 "[ . 1 . 2]" 1
2398 1 136 TYR HB2 1 136 TYR QD 3.240 . 3.240 2.484 2.412 2.521 . 0 0 "[ . 1 . 2]" 1
2399 1 136 TYR HB2 1 136 TYR HE1 4.840 . 4.840 4.774 4.691 4.811 . 0 0 "[ . 1 . 2]" 1
2400 1 136 TYR HB2 1 137 TYR HD1 5.440 . 5.440 5.436 5.367 5.460 0.020 1 0 "[ . 1 . 2]" 1
2401 1 136 TYR HB3 1 136 TYR QD 3.290 . 3.290 2.354 2.329 2.377 . 0 0 "[ . 1 . 2]" 1
2402 1 136 TYR HB3 1 137 TYR H 4.090 . 4.090 3.945 3.892 4.016 . 0 0 "[ . 1 . 2]" 1
2403 1 136 TYR QD 1 137 TYR HA 3.860 . 3.860 3.009 2.907 3.089 . 0 0 "[ . 1 . 2]" 1
2404 1 136 TYR QD 1 137 TYR HB2 4.190 . 4.190 3.603 3.549 3.637 . 0 0 "[ . 1 . 2]" 1
2405 1 136 TYR QD 1 137 TYR HB3 5.250 . 5.250 4.855 4.796 4.878 . 0 0 "[ . 1 . 2]" 1
2406 1 136 TYR QD 1 137 TYR HD1 3.460 . 3.460 2.956 2.887 3.084 . 0 0 "[ . 1 . 2]" 1
2407 1 136 TYR HE1 1 137 TYR HA 3.720 . 3.720 3.728 3.721 3.742 0.022 4 0 "[ . 1 . 2]" 1
2408 1 136 TYR HE1 1 137 TYR HB2 3.270 . 3.270 3.239 3.202 3.275 0.005 13 0 "[ . 1 . 2]" 1
2409 1 136 TYR HE1 1 137 TYR HB3 4.770 . 4.770 4.788 4.776 4.812 0.042 18 0 "[ . 1 . 2]" 1
2410 1 136 TYR HE1 1 137 TYR HD1 2.400 . 2.400 1.945 1.838 2.014 . 0 0 "[ . 1 . 2]" 1
2411 1 136 TYR HE1 1 137 TYR HE1 3.690 . 3.690 3.488 3.349 3.568 . 0 0 "[ . 1 . 2]" 1
2412 1 137 TYR H 1 137 TYR HB2 3.530 . 3.530 2.213 2.182 2.263 . 0 0 "[ . 1 . 2]" 1
2413 1 137 TYR H 1 137 TYR HB3 3.650 . 3.650 2.883 2.825 2.915 . 0 0 "[ . 1 . 2]" 1
2414 1 137 TYR H 1 138 GLN H 3.650 . 3.650 2.540 2.444 2.642 . 0 0 "[ . 1 . 2]" 1
2415 1 137 TYR H 1 138 GLN HB2 5.000 . 5.000 4.559 4.314 4.739 . 0 0 "[ . 1 . 2]" 1
2416 1 137 TYR H 1 138 GLN HB3 4.970 . 4.970 4.935 4.776 4.987 0.017 4 0 "[ . 1 . 2]" 1
2417 1 137 TYR HA 1 137 TYR HB2 2.990 . 2.990 2.702 2.662 2.721 . 0 0 "[ . 1 . 2]" 1
2418 1 137 TYR HA 1 137 TYR HB3 2.990 . 2.990 2.957 2.944 2.981 . 0 0 "[ . 1 . 2]" 1
2419 1 137 TYR HA 1 137 TYR HD1 3.060 . 3.060 2.379 2.288 2.543 . 0 0 "[ . 1 . 2]" 1
2420 1 137 TYR HB2 1 137 TYR HD1 3.050 . 3.050 2.790 2.627 2.854 . 0 0 "[ . 1 . 2]" 1
2421 1 137 TYR HB2 1 137 TYR HE1 4.880 . 4.880 4.881 4.807 4.895 0.015 17 0 "[ . 1 . 2]" 1
2422 1 137 TYR HB2 1 138 GLN H 4.800 . 4.800 4.071 3.968 4.187 . 0 0 "[ . 1 . 2]" 1
2423 1 137 TYR HB2 1 141 SER HA 4.760 . 4.760 4.524 4.351 4.664 . 0 0 "[ . 1 . 2]" 1
2424 1 137 TYR HB3 1 137 TYR HD2 3.040 . 3.040 2.310 2.272 2.401 . 0 0 "[ . 1 . 2]" 1
2425 1 137 TYR HB3 1 137 TYR HE2 4.740 . 4.740 4.651 4.605 4.722 . 0 0 "[ . 1 . 2]" 1
2426 1 137 TYR HB3 1 138 GLN H 4.000 . 4.000 3.628 3.437 3.804 . 0 0 "[ . 1 . 2]" 1
2427 1 137 TYR HB3 1 141 SER HA 3.910 . 3.910 3.933 3.918 3.966 0.056 18 0 "[ . 1 . 2]" 1
2428 1 137 TYR HD2 1 141 SER HA 4.010 . 4.010 3.285 3.112 3.568 . 0 0 "[ . 1 . 2]" 1
2429 1 137 TYR HD2 1 141 SER HB2 5.060 . 5.060 4.607 3.657 5.073 0.013 20 0 "[ . 1 . 2]" 1
2430 1 137 TYR HD2 1 141 SER QB 4.260 . 4.260 3.533 3.204 4.014 . 0 0 "[ . 1 . 2]" 1
2431 1 137 TYR HD2 1 141 SER HB3 5.060 . 5.060 3.889 3.258 5.074 0.014 1 0 "[ . 1 . 2]" 1
2432 1 138 GLN H 1 138 GLN HB2 3.550 . 3.550 2.481 2.327 2.636 . 0 0 "[ . 1 . 2]" 1
2433 1 138 GLN H 1 138 GLN HB3 3.720 . 3.720 2.523 2.354 2.649 . 0 0 "[ . 1 . 2]" 1
2434 1 138 GLN H 1 138 GLN HG2 5.350 . 5.350 4.544 4.445 4.626 . 0 0 "[ . 1 . 2]" 1
2435 1 138 GLN H 1 138 GLN QG 4.540 . 4.540 4.045 3.966 4.068 . 0 0 "[ . 1 . 2]" 1
2436 1 138 GLN H 1 138 GLN HG3 5.350 . 5.350 4.541 4.406 4.626 . 0 0 "[ . 1 . 2]" 1
2437 1 138 GLN HA 1 138 GLN HB2 2.640 . 2.640 2.521 2.439 2.578 . 0 0 "[ . 1 . 2]" 1
2438 1 138 GLN HA 1 138 GLN QE 4.770 . 4.770 3.608 2.639 4.688 . 0 0 "[ . 1 . 2]" 1
2439 1 138 GLN HA 1 138 GLN HG2 3.850 . 3.850 3.235 2.359 3.817 . 0 0 "[ . 1 . 2]" 1
2440 1 138 GLN HA 1 138 GLN QG 3.100 . 3.100 2.682 2.312 2.976 . 0 0 "[ . 1 . 2]" 1
2441 1 138 GLN HA 1 138 GLN HG3 3.850 . 3.850 3.191 2.568 3.711 . 0 0 "[ . 1 . 2]" 1
2442 1 138 GLN HB2 1 138 GLN QG 2.570 . 2.570 2.292 2.135 2.490 . 0 0 "[ . 1 . 2]" 1
2443 1 138 GLN HB3 1 139 ARG H 3.700 . 3.700 2.503 2.334 2.616 . 0 0 "[ . 1 . 2]" 1
2444 1 138 GLN HB3 1 140 GLY H 4.590 . 4.590 4.588 4.426 4.605 0.015 18 0 "[ . 1 . 2]" 1
2445 1 138 GLN QG 1 139 ARG H 4.360 . 4.360 3.940 3.757 4.273 . 0 0 "[ . 1 . 2]" 1
2446 1 139 ARG H 1 139 ARG HB2 3.630 . 3.630 2.954 2.806 3.161 . 0 0 "[ . 1 . 2]" 1
2447 1 139 ARG H 1 139 ARG HB3 3.750 . 3.750 2.467 2.316 2.556 . 0 0 "[ . 1 . 2]" 1
2448 1 139 ARG H 1 139 ARG HD2 4.800 . 4.800 4.756 4.637 4.806 0.006 1 0 "[ . 1 . 2]" 1
2449 1 139 ARG H 1 139 ARG HG3 4.430 . 4.430 4.379 4.239 4.442 0.012 3 0 "[ . 1 . 2]" 1
2450 1 139 ARG H 1 140 GLY H 3.590 . 3.590 2.139 2.046 2.330 . 0 0 "[ . 1 . 2]" 1
2451 1 139 ARG HA 1 139 ARG HB2 2.490 . 2.490 2.436 2.385 2.465 . 0 0 "[ . 1 . 2]" 1
2452 1 139 ARG HA 1 139 ARG HD2 3.520 . 3.520 2.117 1.976 2.215 . 0 0 "[ . 1 . 2]" 1
2453 1 139 ARG HA 1 139 ARG HD3 3.060 . 3.060 2.873 2.576 3.068 0.008 19 0 "[ . 1 . 2]" 1
2454 1 139 ARG HA 1 139 ARG HG2 3.930 . 3.930 3.800 3.740 3.855 . 0 0 "[ . 1 . 2]" 1
2455 1 139 ARG HA 1 139 ARG HG3 3.280 . 3.280 3.278 3.252 3.291 0.011 6 0 "[ . 1 . 2]" 1
2456 1 139 ARG HA 1 140 GLY HA2 4.630 . 4.630 4.612 4.580 4.635 0.005 19 0 "[ . 1 . 2]" 1
2457 1 139 ARG HA 1 141 SER H 5.020 . 5.020 3.860 3.657 4.358 . 0 0 "[ . 1 . 2]" 1
2458 1 139 ARG HB2 1 139 ARG HD2 3.320 . 3.320 3.168 3.074 3.316 . 0 0 "[ . 1 . 2]" 1
2459 1 139 ARG HB3 1 139 ARG HG3 2.470 . 2.470 2.430 2.389 2.456 . 0 0 "[ . 1 . 2]" 1
2460 1 139 ARG HB3 1 140 GLY H 3.830 . 3.830 2.688 2.522 2.890 . 0 0 "[ . 1 . 2]" 1
2461 1 139 ARG HB3 1 140 GLY HA3 4.480 . 4.480 4.377 4.238 4.483 0.003 3 0 "[ . 1 . 2]" 1
2462 1 139 ARG HD2 1 139 ARG HG3 2.850 . 2.850 2.472 2.400 2.526 . 0 0 "[ . 1 . 2]" 1
2463 1 139 ARG HD2 1 140 GLY HA2 4.670 . 4.670 4.661 4.492 4.689 0.019 4 0 "[ . 1 . 2]" 1
2464 1 139 ARG HG3 1 140 GLY HA2 4.370 . 4.370 3.647 3.248 3.942 . 0 0 "[ . 1 . 2]" 1
2465 1 139 ARG HG3 1 140 GLY HA3 4.910 . 4.910 4.365 3.983 4.768 . 0 0 "[ . 1 . 2]" 1
2466 1 140 GLY HA2 1 141 SER HA 5.340 . 5.340 4.740 4.628 4.801 . 0 0 "[ . 1 . 2]" 1
2467 1 141 SER HA 1 141 SER QB 2.600 . 2.600 2.223 2.159 2.407 . 0 0 "[ . 1 . 2]" 1
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