NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382975 |
1jor   |
494 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jor
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 1649
_Distance_constraint_stats_list.Viol_count 1037
_Distance_constraint_stats_list.Viol_total 1269.550
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_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 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 HIS 0.673 0.073 11 0 "[ . 1 . 2 . 3]"
1 9 LYS 0.664 0.073 11 0 "[ . 1 . 2 . 3]"
1 10 GLU 0.018 0.012 30 0 "[ . 1 . 2 . 3]"
1 11 PRO 0.039 0.014 6 0 "[ . 1 . 2 . 3]"
1 12 ALA 0.048 0.014 6 0 "[ . 1 . 2 . 3]"
1 13 THR 0.078 0.018 13 0 "[ . 1 . 2 . 3]"
1 14 LEU 0.051 0.035 21 0 "[ . 1 . 2 . 3]"
1 15 ILE 0.038 0.017 9 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.202 0.034 1 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.056 0.019 17 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.037 0.020 25 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.284 0.042 30 0 "[ . 1 . 2 . 3]"
1 22 THR 0.328 0.042 30 0 "[ . 1 . 2 . 3]"
1 23 VAL 0.020 0.020 25 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.201 0.034 1 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.070 0.017 9 0 "[ . 1 . 2 . 3]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 TYR 0.152 0.048 9 0 "[ . 1 . 2 . 3]"
1 28 LYS 0.531 0.057 8 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.347 0.048 9 0 "[ . 1 . 2 . 3]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 MET 0.055 0.011 18 0 "[ . 1 . 2 . 3]"
1 33 THR 0.031 0.012 7 0 "[ . 1 . 2 . 3]"
1 34 PHE 0.087 0.020 4 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.004 0.002 21 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.089 0.022 13 0 "[ . 1 . 2 . 3]"
1 37 LEU 0.174 0.019 1 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.057 0.019 1 0 "[ . 1 . 2 . 3]"
1 39 VAL 0.210 0.032 9 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.234 0.032 9 0 "[ . 1 . 2 . 3]"
1 41 THR 0.024 0.014 20 0 "[ . 1 . 2 . 3]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.114 0.088 19 0 "[ . 1 . 2 . 3]"
1 44 THR 0.143 0.054 23 0 "[ . 1 . 2 . 3]"
1 45 LYS 0.249 0.071 17 0 "[ . 1 . 2 . 3]"
1 46 HIS 1.301 0.143 8 0 "[ . 1 . 2 . 3]"
1 47 PRO 0.984 0.143 8 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.535 0.073 17 0 "[ . 1 . 2 . 3]"
1 49 LYS 0.757 0.073 17 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.222 0.056 5 0 "[ . 1 . 2 . 3]"
1 51 VAL 0.059 0.030 25 0 "[ . 1 . 2 . 3]"
1 52 GLU 0.138 0.058 10 0 "[ . 1 . 2 . 3]"
1 53 LYS 0.670 0.069 7 0 "[ . 1 . 2 . 3]"
1 54 TYR 7.778 0.953 18 3 "[ . 1 *. + 2 - 3]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 PRO 0.021 0.016 19 0 "[ . 1 . 2 . 3]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.016 0.007 23 0 "[ . 1 . 2 . 3]"
1 59 SER 0.021 0.016 19 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 PHE 1.045 0.072 3 0 "[ . 1 . 2 . 3]"
1 62 THR 0.182 0.037 6 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.298 0.032 7 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.205 0.029 27 0 "[ . 1 . 2 . 3]"
1 65 MET 1.994 0.071 2 0 "[ . 1 . 2 . 3]"
1 66 VAL 0.519 0.040 19 0 "[ . 1 . 2 . 3]"
1 67 GLU 1.224 0.073 21 0 "[ . 1 . 2 . 3]"
1 68 ASN 1.748 0.073 21 0 "[ . 1 . 2 . 3]"
1 69 ALA 1.163 0.071 2 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.077 0.027 2 0 "[ . 1 . 2 . 3]"
1 71 LYS 0.044 0.019 3 0 "[ . 1 . 2 . 3]"
1 72 ILE 0.338 0.041 8 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.029 0.010 14 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.376 0.096 18 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.005 0.005 23 0 "[ . 1 . 2 . 3]"
1 76 PHE 0.001 0.001 18 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.353 0.081 24 0 "[ . 1 . 2 . 3]"
1 78 LYS 0.012 0.012 24 0 "[ . 1 . 2 . 3]"
1 79 GLY 0.012 0.012 1 0 "[ . 1 . 2 . 3]"
1 80 GLN 0.008 0.008 12 0 "[ . 1 . 2 . 3]"
1 81 ARG 0.198 0.108 16 0 "[ . 1 . 2 . 3]"
1 82 THR 0.242 0.078 27 0 "[ . 1 . 2 . 3]"
1 83 ASP 0.210 0.036 4 0 "[ . 1 . 2 . 3]"
1 84 LYS 1.184 0.123 7 0 "[ . 1 . 2 . 3]"
1 85 TYR 0.005 0.005 5 0 "[ . 1 . 2 . 3]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 ARG 0.020 0.012 7 0 "[ . 1 . 2 . 3]"
1 88 GLY 0.120 0.078 27 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.013 0.011 29 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.109 0.018 9 0 "[ . 1 . 2 . 3]"
1 91 TYR 0.558 0.191 18 0 "[ . 1 . 2 . 3]"
1 92 ILE 0.692 0.096 18 0 "[ . 1 . 2 . 3]"
1 93 TYR 0.593 0.191 18 0 "[ . 1 . 2 . 3]"
1 94 ALA 0.035 0.010 12 0 "[ . 1 . 2 . 3]"
1 95 ASP 4.232 0.656 2 4 "[*+* - 1 . 2 . 3]"
1 96 GLY 0.032 0.015 1 0 "[ . 1 . 2 . 3]"
1 97 LYS 4.544 0.656 2 4 "[*+* - 1 . 2 . 3]"
1 98 MET 0.464 0.082 22 0 "[ . 1 . 2 . 3]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 100 ASN 0.225 0.019 6 0 "[ . 1 . 2 . 3]"
1 101 GLU 0.133 0.028 21 0 "[ . 1 . 2 . 3]"
1 102 ALA 1.963 0.073 22 0 "[ . 1 . 2 . 3]"
1 103 LEU 2.035 0.073 22 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.182 0.034 22 0 "[ . 1 . 2 . 3]"
1 105 ARG 0.472 0.056 25 0 "[ . 1 . 2 . 3]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 107 GLY 0.263 0.025 5 0 "[ . 1 . 2 . 3]"
1 108 LEU 0.870 0.521 25 1 "[ . 1 . 2 + 3]"
1 109 ALA 0.113 0.019 14 0 "[ . 1 . 2 . 3]"
1 110 LYS 0.050 0.015 5 0 "[ . 1 . 2 . 3]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 112 ALA 0.028 0.015 10 0 "[ . 1 . 2 . 3]"
1 113 TYR 5.109 0.983 8 3 "[* . + 1 -. 2 . 3]"
1 114 VAL 0.047 0.032 9 0 "[ . 1 . 2 . 3]"
1 115 TYR 4.639 0.983 8 3 "[* . + 1 -. 2 . 3]"
1 116 LYS 0.013 0.008 15 0 "[ . 1 . 2 . 3]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ASN 0.681 0.053 8 0 "[ . 1 . 2 . 3]"
1 119 ASN 0.201 0.044 14 0 "[ . 1 . 2 . 3]"
1 120 THR 1.323 0.072 1 0 "[ . 1 . 2 . 3]"
1 121 HIS 1.339 0.072 1 0 "[ . 1 . 2 . 3]"
1 122 GLU 0.114 0.021 2 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.095 0.027 30 0 "[ . 1 . 2 . 3]"
1 124 LEU 0.158 0.076 5 0 "[ . 1 . 2 . 3]"
1 125 LEU 0.346 0.060 13 0 "[ . 1 . 2 . 3]"
1 126 ARG 0.100 0.060 13 0 "[ . 1 . 2 . 3]"
1 127 LYS 0.011 0.007 19 0 "[ . 1 . 2 . 3]"
1 128 SER 0.132 0.018 18 0 "[ . 1 . 2 . 3]"
1 129 GLU 0.106 0.046 29 0 "[ . 1 . 2 . 3]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 131 GLN 0.117 0.091 7 0 "[ . 1 . 2 . 3]"
1 132 ALA 0.445 0.046 22 0 "[ . 1 . 2 . 3]"
1 133 LYS 0.523 0.046 22 0 "[ . 1 . 2 . 3]"
1 134 LYS 0.216 0.039 24 0 "[ . 1 . 2 . 3]"
1 135 GLU 1.604 0.082 4 0 "[ . 1 . 2 . 3]"
1 136 LYS 1.222 0.069 26 0 "[ . 1 . 2 . 3]"
1 137 LEU 2.957 0.082 4 0 "[ . 1 . 2 . 3]"
1 138 ASN 0.173 0.059 29 0 "[ . 1 . 2 . 3]"
1 139 ILE 4.123 0.953 18 3 "[ . 1 *. + 2 - 3]"
1 140 TRP 0.424 0.046 21 0 "[ . 1 . 2 . 3]"
1 141 SER 0.444 0.068 11 0 "[ . 1 . 2 . 3]"
1 142 GLU 1.035 0.093 3 0 "[ . 1 . 2 . 3]"
1 143 ASP 0.888 0.086 2 0 "[ . 1 . 2 . 3]"
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 8 HIS H 1 8 HIS HB2 3.800 . 5.300 3.492 2.289 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 8 HIS H 1 8 HIS HB3 3.300 . 3.500 3.346 3.126 3.534 0.034 15 0 "[ . 1 . 2 . 3]" 1
3 1 8 HIS H 1 75 GLU HA 5.500 . 6.500 5.345 4.432 6.196 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 8 HIS H 1 75 GLU HG3 4.000 . 5.300 4.074 3.102 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 7 LEU MD1 1 8 HIS H 5.400 . 6.500 4.228 2.195 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 7 LEU HG 1 8 HIS H 5.200 . 5.300 4.005 2.295 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 7 LEU QB 1 8 HIS H 3.500 . 5.300 2.688 1.834 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 7 LEU HA 1 8 HIS H 3.800 . 5.300 2.494 2.191 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 8 HIS HA 1 8 HIS HB3 2.800 . 3.500 2.533 2.336 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 8 HIS HA 1 8 HIS HB2 2.800 . 3.500 2.616 2.374 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 8 HIS HB2 1 8 HIS HD2 3.500 . 5.300 3.470 2.749 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 8 HIS HA 1 9 LYS H 2.500 . 2.700 2.486 2.188 2.773 0.073 11 0 "[ . 1 . 2 . 3]" 1
13 1 8 HIS HB2 1 9 LYS H 3.200 . 3.500 2.923 1.924 3.550 0.050 11 0 "[ . 1 . 2 . 3]" 1
14 1 8 HIS HB3 1 9 LYS H 3.900 . 5.300 3.376 1.960 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 9 LYS H 1 9 LYS HG2 3.500 . 5.300 4.058 2.260 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 9 LYS H 1 9 LYS HG3 3.000 . 3.500 2.914 2.132 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 9 LYS H 1 9 LYS HB3 3.500 . 5.300 3.732 3.439 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 9 LYS H 1 9 LYS HB2 2.700 . 3.500 2.618 2.171 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 9 LYS HA 1 9 LYS HB3 2.500 . 2.700 2.492 2.357 2.734 0.034 2 0 "[ . 1 . 2 . 3]" 1
20 1 9 LYS HA 1 10 GLU H 2.800 . 3.500 2.332 2.202 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 10 GLU H 1 10 GLU HB3 3.900 . 5.300 3.783 3.597 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 10 GLU H 1 10 GLU HB2 3.700 . 5.300 2.670 2.349 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 10 GLU H 1 10 GLU HG2 3.100 . 3.500 3.064 2.259 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 9 LYS QE 1 10 GLU H 5.500 . 6.500 5.383 4.625 5.825 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 9 LYS HB3 1 10 GLU H 3.000 . 3.500 2.841 2.264 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 9 LYS HB2 1 10 GLU H 4.100 . 5.300 3.865 3.342 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 10 GLU H 1 74 VAL MG2 5.500 . 6.500 2.949 2.235 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 10 GLU H 1 75 GLU HB2 4.400 . 5.300 4.786 4.094 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 9 LYS QG 1 10 GLU H 5.100 . 5.300 3.955 3.159 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 10 GLU H 1 74 VAL HB 5.000 . 5.300 5.060 4.565 5.312 0.012 30 0 "[ . 1 . 2 . 3]" 1
31 1 10 GLU H 1 74 VAL H 3.500 . 5.300 2.714 2.176 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 10 GLU HA 1 10 GLU HB3 2.700 . 3.500 2.487 2.311 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 10 GLU HA 1 11 PRO QD 3.000 . 3.500 1.938 1.873 2.015 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 11 PRO HA 1 11 PRO HB3 2.800 . 3.500 2.309 2.307 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 11 PRO HA 1 73 GLU HB3 4.000 . 5.300 4.202 3.337 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 11 PRO HA 1 12 ALA H 2.500 . 2.700 2.258 2.219 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 12 ALA H 1 73 GLU HA 3.500 . 5.300 3.020 2.299 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 11 PRO QG 1 12 ALA H 5.100 . 5.300 4.652 4.461 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 11 PRO HB2 1 12 ALA H 3.200 . 3.500 3.345 3.003 3.514 0.014 6 0 "[ . 1 . 2 . 3]" 1
40 1 11 PRO HB3 1 12 ALA H 3.600 . 5.300 3.928 3.728 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 12 ALA H 1 72 ILE MG 5.600 . 6.500 4.088 3.571 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 12 ALA H 1 74 VAL H 5.000 . 5.300 4.874 4.299 5.300 0.000 13 0 "[ . 1 . 2 . 3]" 1
43 1 12 ALA HA 1 27 TYR HA 4.500 . 5.300 3.417 3.049 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 13 THR H 1 13 THR HB 3.000 . 3.500 2.930 2.503 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 13 THR H 1 26 MET HB2 3.800 . 5.300 3.829 3.109 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 13 THR H 1 26 MET HB3 3.500 . 5.300 2.623 1.953 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 12 ALA HA 1 13 THR H 2.500 . 2.700 2.426 2.214 2.709 0.009 13 0 "[ . 1 . 2 . 3]" 1
48 1 12 ALA MB 1 13 THR H 3.800 . 5.300 2.581 2.133 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 13 THR H 1 25 LEU HB2 3.500 . 5.300 4.787 4.072 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 13 THR H 1 26 MET H 3.100 . 3.500 2.659 2.103 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 13 THR H 1 13 THR MG 4.400 . 5.300 3.836 3.697 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 13 THR H 1 72 ILE HB 5.000 . 5.300 5.220 4.939 5.318 0.018 13 0 "[ . 1 . 2 . 3]" 1
53 1 13 THR HA 1 14 LEU HB2 5.000 . 5.300 4.645 4.321 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 13 THR HA 1 72 ILE MD 5.000 . 5.300 3.367 2.657 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 13 THR HB 1 26 MET HB3 2.700 . 3.500 2.252 1.884 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 13 THR HB 1 26 MET HB2 4.000 . 5.300 2.692 2.018 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 14 LEU H 1 14 LEU MD1 4.600 . 5.300 4.104 3.860 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 14 LEU H 1 72 ILE MD 4.400 . 5.300 2.651 1.895 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 14 LEU H 1 14 LEU HB3 2.500 . 2.700 2.553 2.383 2.735 0.035 21 0 "[ . 1 . 2 . 3]" 1
60 1 14 LEU H 1 14 LEU HB2 2.800 . 3.500 2.630 2.464 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 14 LEU H 1 14 LEU HA 2.900 . 3.500 2.871 2.759 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 14 LEU H 1 14 LEU HG 4.000 . 5.300 4.470 4.284 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 13 THR HB 1 14 LEU H 4.500 . 5.300 3.851 3.051 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 13 THR HA 1 14 LEU H 2.500 . 2.700 2.273 2.186 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 13 THR H 1 14 LEU H 4.500 . 5.300 4.342 3.734 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 14 LEU H 1 15 ILE H 5.000 . 5.300 4.556 4.280 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 14 LEU HA 1 25 LEU MD2 4.000 . 5.300 2.077 1.809 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 14 LEU HA 1 14 LEU MD1 4.000 . 5.300 2.423 1.836 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 14 LEU HA 1 14 LEU HG 4.100 . 5.300 3.026 2.439 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 15 ILE H 1 16 LYS H 2.700 . 3.500 2.459 2.249 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 15 ILE H 1 25 LEU HA 2.900 . 3.500 2.243 1.959 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 14 LEU HA 1 15 ILE H 2.700 . 3.500 2.214 2.188 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 15 ILE H 1 15 ILE HB 3.100 . 3.500 2.473 2.350 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 15 ILE H 1 15 ILE HG13 3.100 . 3.500 2.800 2.396 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 15 ILE H 1 15 ILE HG12 4.300 . 5.300 3.886 3.384 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 15 ILE H 1 15 ILE MD 5.200 . 5.300 3.926 3.506 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 14 LEU HB2 1 15 ILE H 4.500 . 5.300 4.268 4.017 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 14 LEU MD1 1 15 ILE H 4.300 . 5.300 2.683 1.863 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 15 ILE H 1 24 LYS HB3 4.500 . 5.300 4.098 3.688 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 15 ILE H 1 25 LEU HB2 5.000 . 5.300 5.167 4.929 5.317 0.017 9 0 "[ . 1 . 2 . 3]" 1
81 1 16 LYS H 1 24 LYS HB3 2.700 . 3.500 2.420 1.870 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 15 ILE HA 1 16 LYS H 4.000 . 5.300 3.588 3.572 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 16 LYS H 1 16 LYS HB3 2.800 . 3.500 3.315 3.049 3.515 0.015 30 0 "[ . 1 . 2 . 3]" 1
84 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.232 1.984 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 15 ILE HG13 1 16 LYS H 4.000 . 5.300 4.258 3.956 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 14 LEU MD1 1 16 LYS H 4.500 . 5.300 3.257 2.467 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 16 LYS H 1 16 LYS HB2 3.500 . 5.300 3.282 2.990 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 16 LYS H 1 25 LEU HA 4.500 . 5.300 3.976 3.824 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 16 LYS H 1 24 LYS H 3.300 . 3.500 3.428 3.032 3.534 0.034 1 0 "[ . 1 . 2 . 3]" 1
90 1 15 ILE MG 1 16 LYS H 4.000 . 5.300 2.913 2.589 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 14 LEU HA 1 16 LYS H 3.500 . 5.300 4.462 4.080 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 16 LYS HA 1 16 LYS HB2 3.000 . 3.500 2.642 2.471 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 17 ALA H 1 17 ALA HA 3.000 . 3.500 2.915 2.837 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 16 LYS H 1 17 ALA H 4.000 . 5.300 3.859 3.634 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 17 ALA H 1 18 ILE H 4.300 . 5.300 4.643 4.505 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 16 LYS HB3 1 17 ALA H 3.500 . 5.300 4.120 3.747 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 14 LEU HG 1 17 ALA H 4.500 . 5.300 4.609 3.853 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 17 ALA H 1 66 VAL MG2 5.900 . 6.500 4.184 3.512 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 16 LYS QD 1 17 ALA H 5.600 . 6.500 4.534 2.435 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 14 LEU MD1 1 17 ALA H 4.900 . 5.300 3.422 2.738 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 14 LEU MD2 1 17 ALA H 5.100 . 5.300 3.914 3.172 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 17 ALA HA 1 18 ILE H 3.000 . 3.500 2.322 2.190 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 18 ILE H 1 22 THR HB 4.700 . 5.300 4.058 3.540 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 18 ILE H 1 23 VAL HA 4.500 . 5.300 2.351 1.932 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 18 ILE H 1 18 ILE HA 3.000 . 3.500 2.987 2.897 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 18 ILE H 1 23 VAL MG1 4.100 . 5.300 2.937 2.440 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 18 ILE H 1 22 THR MG 5.400 . 6.500 4.271 3.792 5.157 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 18 ILE H 1 18 ILE HB 2.800 . 3.500 2.607 2.399 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 17 ALA MB 1 18 ILE H 4.500 . 5.300 2.750 2.441 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 18 ILE H 1 18 ILE HG12 4.600 . 5.300 3.886 3.414 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 18 ILE H 1 18 ILE HG13 2.700 . 3.500 2.739 2.247 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 18 ILE H 1 19 ASP HA 4.500 . 5.300 4.759 4.554 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 18 ILE H 1 19 ASP H 2.900 . 3.500 2.271 1.874 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 18 ILE H 1 24 LYS H 4.000 . 5.300 3.751 3.104 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 18 ILE HA 1 18 ILE HB 3.000 . 3.500 3.031 3.020 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 18 ILE HA 1 18 ILE HG13 3.100 . 3.500 2.999 2.638 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 18 ILE HA 1 18 ILE HG12 2.300 . 2.700 2.551 2.385 2.719 0.019 17 0 "[ . 1 . 2 . 3]" 1
118 1 19 ASP H 1 22 THR H 3.200 . 3.500 3.262 2.993 3.517 0.017 6 0 "[ . 1 . 2 . 3]" 1
119 1 19 ASP H 1 22 THR HB 3.500 . 5.300 2.774 1.868 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 19 ASP H 1 19 ASP HB2 3.500 . 5.300 2.589 2.333 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 18 ILE HA 1 19 ASP H 3.800 . 5.300 3.570 3.431 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 18 ILE MG 1 19 ASP H 5.100 . 5.300 3.232 2.673 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 18 ILE HG13 1 19 ASP H 5.000 . 5.300 4.143 3.700 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 17 ALA MB 1 19 ASP H 5.000 . 5.300 3.909 3.306 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 18 ILE HB 1 19 ASP H 2.800 . 3.500 2.352 1.936 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 19 ASP H 1 23 VAL MG1 5.400 . 6.500 3.599 3.142 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 19 ASP H 1 22 THR MG 5.500 . 6.500 3.987 3.355 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 19 ASP HA 1 19 ASP HB3 2.800 . 3.500 2.736 2.404 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 20 GLY H 1 20 GLY HA3 3.000 . 3.500 2.373 2.345 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 20 GLY H 1 59 SER HA 4.500 . 5.300 3.970 3.088 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 20 GLY H 1 58 ALA MB 6.000 . 6.500 4.482 3.749 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 20 GLY H 1 21 ASP H 3.300 . 3.500 2.497 2.302 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 19 ASP HB2 1 20 GLY H 3.500 . 5.300 3.453 2.637 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 19 ASP HB3 1 20 GLY H 2.800 . 3.500 2.134 1.874 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 19 ASP HA 1 20 GLY H 3.800 . 5.300 2.731 2.515 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 20 GLY HA2 1 41 THR MG 5.600 . 6.500 3.959 3.135 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 20 GLY H 1 44 THR MG 5.900 . 6.500 4.787 3.566 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 20 GLY HA3 1 103 LEU MD2 6.000 . 6.500 4.144 3.157 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 21 ASP H 1 22 THR H 2.600 . 3.500 1.997 1.844 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 20 GLY HA2 1 21 ASP H 3.900 . 5.300 3.394 3.099 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 20 GLY HA3 1 21 ASP H 3.400 . 3.500 3.150 2.814 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 21 ASP H 1 21 ASP QB 3.700 . 5.300 2.722 2.247 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 21 ASP HA 1 36 LEU MD1 4.300 . 5.300 2.355 1.871 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 22 THR H 1 23 VAL MG1 4.900 . 5.300 3.657 3.000 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 22 THR H 1 22 THR HB 3.100 . 3.500 2.763 2.484 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 18 ILE HB 1 22 THR H 4.200 . 5.300 4.856 4.193 5.311 0.011 19 0 "[ . 1 . 2 . 3]" 1
147 1 21 ASP HA 1 22 THR H 3.400 . 3.500 3.408 2.941 3.542 0.042 30 0 "[ . 1 . 2 . 3]" 1
148 1 21 ASP QB 1 22 THR H 5.700 . 6.500 3.349 2.608 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 18 ILE H 1 22 THR H 4.800 . 5.300 4.800 4.402 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 20 GLY H 1 22 THR H 4.500 . 5.300 3.854 3.348 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 22 THR H 1 23 VAL H 4.100 . 5.300 4.323 3.766 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 22 THR H 1 62 THR MG 5.500 . 6.500 4.694 3.495 5.276 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 22 THR HA 1 22 THR HB 3.000 . 3.500 3.015 2.971 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 22 THR HA 1 35 ARG HA 2.700 . 3.500 2.626 2.059 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 22 THR HA 1 36 LEU HB2 5.500 . 6.500 6.161 5.276 6.483 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 22 THR HA 1 23 VAL MG2 5.000 . 5.300 3.674 3.319 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 22 THR HA 1 33 THR MG 5.900 . 6.500 3.889 3.423 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 22 THR HA 1 23 VAL H 2.500 . 2.700 2.207 2.181 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 22 THR MG 1 23 VAL H 4.800 . 5.300 2.839 2.260 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 23 VAL H 1 23 VAL MG2 4.200 . 5.300 2.092 1.854 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 23 VAL H 1 23 VAL MG1 4.200 . 5.300 3.010 2.448 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 23 VAL H 1 33 THR MG 5.000 . 5.300 3.552 3.004 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 19 ASP H 1 23 VAL H 5.100 . 5.300 5.087 4.779 5.320 0.020 25 0 "[ . 1 . 2 . 3]" 1
164 1 18 ILE H 1 23 VAL H 4.600 . 5.300 4.706 4.301 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 18 ILE HB 1 23 VAL HA 3.500 . 5.300 4.105 3.571 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 17 ALA MB 1 23 VAL HA 4.600 . 5.300 3.108 2.590 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 23 VAL HA 1 23 VAL HB 2.700 . 3.500 2.495 2.393 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 17 ALA HA 1 24 LYS H 4.000 . 5.300 2.351 1.867 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 23 VAL HA 1 24 LYS H 3.500 . 5.300 2.251 2.193 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 ILE H 1 24 LYS H 3.600 . 5.300 4.908 4.677 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 ILE MG 1 24 LYS H 6.000 . 6.500 5.137 4.768 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 23 VAL H 1 24 LYS H 4.000 . 5.300 4.360 4.155 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 23 VAL HB 1 24 LYS H 2.800 . 3.500 3.112 2.393 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 24 LYS H 1 24 LYS HB3 2.800 . 3.500 2.780 2.439 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 24 LYS H 1 24 LYS QG 4.600 . 5.300 4.015 3.932 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 24 LYS H 1 24 LYS HB2 3.000 . 3.500 2.516 2.333 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 18 ILE HG13 1 24 LYS H 5.000 . 5.300 3.659 2.517 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 14 LEU MD1 1 24 LYS H 5.300 . 6.500 4.360 4.014 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 22 THR MG 1 24 LYS H 6.000 . 6.500 4.802 4.314 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 23 VAL MG2 1 24 LYS H 4.300 . 5.300 3.860 3.171 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 23 VAL MG1 1 24 LYS H 4.700 . 5.300 3.931 3.651 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 24 LYS HA 1 24 LYS HB2 3.000 . 3.500 2.621 2.441 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 ILE HB 1 24 LYS HA 4.000 . 5.300 4.437 4.097 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 24 LYS HA 1 33 THR HA 5.000 . 5.300 2.335 2.019 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 25 LEU H 1 31 PRO HA 3.700 . 5.300 4.910 4.661 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 24 LYS HA 1 25 LEU H 2.700 . 3.500 2.202 2.188 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 25 LEU H 1 34 PHE QD 3.600 . 5.300 2.638 2.059 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 24 LYS HB2 1 25 LEU H 4.800 . 5.300 4.433 4.253 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 25 LEU H 1 25 LEU HB2 3.300 . 3.500 2.868 2.659 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 25 LEU H 1 25 LEU HB3 4.000 . 5.300 3.860 3.776 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 25 LEU H 1 25 LEU MD1 5.500 . 6.500 3.768 3.386 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 25 LEU H 1 25 LEU MD2 5.000 . 5.300 3.583 3.156 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 24 LYS QG 1 25 LEU H 3.900 . 5.300 2.788 2.409 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 23 VAL MG2 1 25 LEU H 5.700 . 6.500 4.484 3.985 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 24 LYS HB3 1 25 LEU H 3.800 . 5.300 4.020 3.783 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 25 LEU H 1 32 MET H 3.200 . 3.500 3.418 3.244 3.509 0.009 9 0 "[ . 1 . 2 . 3]" 1
197 1 25 LEU H 1 25 LEU HG 3.100 . 3.500 2.464 2.175 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 LEU HA 1 25 LEU HA 2.900 . 3.500 2.710 2.027 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 12 ALA MB 1 25 LEU HA 6.000 . 6.500 4.680 4.445 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 25 LEU HA 1 25 LEU HB3 2.700 . 3.500 2.367 2.318 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 25 LEU HA 1 25 LEU HG 2.900 . 3.500 3.128 2.851 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 25 LEU HA 1 25 LEU MD1 4.400 . 5.300 3.921 3.858 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 25 LEU HA 1 25 LEU MD2 3.700 . 5.300 2.208 1.923 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 LEU MD1 1 25 LEU HA 5.000 . 5.300 3.826 3.263 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 12 ALA MB 1 25 LEU MD1 5.300 . 6.500 3.173 2.559 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 25 LEU MD1 1 92 ILE HG13 5.000 . 5.300 3.411 2.727 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 25 LEU MD1 1 92 ILE MD 5.400 . 6.500 2.363 1.915 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 25 LEU MD1 1 92 ILE MG 6.000 . 6.500 2.837 2.388 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 25 LEU MD1 1 74 VAL MG2 6.000 . 6.500 4.054 2.402 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 15 ILE H 1 26 MET H 4.000 . 5.300 4.066 3.375 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 25 LEU HA 1 26 MET H 2.900 . 3.500 2.500 2.204 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 14 LEU HA 1 26 MET H 4.200 . 5.300 3.805 2.848 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 26 MET H 1 26 MET HB3 3.200 . 3.500 2.788 2.455 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 13 THR MG 1 26 MET H 5.300 . 6.500 4.605 3.644 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 25 LEU MD2 1 26 MET H 5.500 . 6.500 3.788 3.504 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 25 LEU HG 1 26 MET H 5.000 . 5.300 4.874 4.647 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 26 MET H 1 26 MET HB2 3.300 . 3.500 2.696 2.378 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 25 LEU HB2 1 26 MET H 3.600 . 5.300 3.264 2.748 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 ILE HB 1 26 MET H 4.000 . 5.300 4.686 3.842 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 ILE HG12 1 26 MET H 4.100 . 5.300 4.266 3.004 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 ILE MD 1 26 MET H 5.800 . 6.500 3.431 2.615 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 26 MET HA 1 26 MET ME 4.600 . 5.300 4.000 3.287 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 26 MET HA 1 26 MET HB2 2.700 . 3.500 2.601 2.406 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 26 MET HA 1 26 MET HB3 2.800 . 3.500 3.008 2.972 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 26 MET HA 1 26 MET HG3 3.400 . 3.500 2.424 2.028 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 15 ILE MD 1 26 MET HA 4.800 . 5.300 2.379 1.876 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 27 TYR H 1 30 GLN H 3.200 . 3.500 3.084 2.761 3.519 0.019 27 0 "[ . 1 . 2 . 3]" 1
228 1 27 TYR H 1 29 GLY H 4.000 . 5.300 4.112 3.724 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 27 TYR H 1 27 TYR HD2 4.700 . 5.300 4.762 4.355 5.107 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 26 MET HA 1 27 TYR H 2.500 . 2.700 2.214 2.190 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 27 TYR H 1 27 TYR HB2 3.300 . 3.500 3.029 2.687 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 27 TYR H 1 27 TYR HB3 3.000 . 3.500 2.616 2.485 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 27 TYR H 1 30 GLN HB3 5.500 . 6.500 5.650 4.811 6.065 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 27 TYR H 1 30 GLN HB2 5.000 . 5.300 5.224 4.925 5.348 0.048 9 0 "[ . 1 . 2 . 3]" 1
235 1 26 MET HB2 1 27 TYR H 4.400 . 5.300 4.572 4.367 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 12 ALA MB 1 27 TYR H 6.000 . 6.500 4.772 4.295 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 26 MET H 1 27 TYR H 4.800 . 5.300 4.223 4.007 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 15 ILE MD 1 27 TYR H 5.500 . 6.500 4.200 3.719 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 26 MET HA 1 27 TYR HA 3.600 . 5.300 4.464 4.450 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 27 TYR HA 1 27 TYR HB2 2.700 . 3.500 2.475 2.383 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 12 ALA MB 1 27 TYR HA 3.600 . 5.300 3.419 2.834 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 10 GLU HB2 1 27 TYR QE 2.700 . 3.500 2.568 2.035 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 27 TYR QE 1 28 LYS HB3 5.500 . 6.500 5.196 4.425 6.013 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 27 TYR QE 1 76 PHE QD 6.000 . 6.500 4.725 3.530 5.813 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 27 TYR QE 1 74 VAL MG2 4.300 . 5.300 3.507 3.145 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 27 TYR QE 1 74 VAL HB 5.300 . 6.500 5.931 3.827 6.340 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 10 GLU HB3 1 27 TYR QE 4.500 . 5.300 2.393 1.864 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 27 TYR QE 1 28 LYS H 4.500 . 5.300 3.914 3.499 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 27 TYR HD1 1 74 VAL MG1 5.700 . 6.500 4.727 4.285 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 27 TYR HD1 1 74 VAL MG2 4.900 . 5.300 3.268 2.663 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 27 TYR HB2 1 27 TYR QD 2.800 . 3.500 2.638 2.461 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 27 TYR HB3 1 27 TYR QD 2.900 . 3.500 2.312 2.300 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 27 TYR HA 1 27 TYR HD1 2.800 . 3.500 2.288 1.884 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 27 TYR HD1 1 28 LYS H 3.400 . 3.500 2.987 2.442 3.508 0.008 27 0 "[ . 1 . 2 . 3]" 1
255 1 12 ALA MB 1 27 TYR HD1 4.600 . 5.300 3.117 2.445 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 27 TYR HD2 1 32 MET HB2 4.100 . 5.300 4.752 3.622 5.300 0.000 20 0 "[ . 1 . 2 . 3]" 1
257 1 27 TYR HD2 1 30 GLN QG 4.800 . 5.300 4.211 3.374 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 27 TYR HD2 1 34 PHE HZ 3.500 . 5.300 3.671 2.451 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 27 TYR HB2 1 28 LYS H 4.000 . 5.300 4.164 3.963 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 28 LYS H 1 29 GLY H 2.900 . 3.500 2.677 2.595 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 27 TYR H 1 28 LYS H 4.000 . 5.300 4.471 4.383 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 28 LYS H 1 30 GLN H 3.900 . 5.300 4.341 4.093 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 27 TYR HA 1 28 LYS H 2.400 . 2.700 2.246 2.198 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 28 LYS H 1 28 LYS HA 2.400 . 2.700 2.347 2.340 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 28 LYS H 1 28 LYS HB3 3.900 . 5.300 4.120 4.058 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 28 LYS H 1 28 LYS HB2 3.300 . 3.500 3.320 3.227 3.516 0.016 28 0 "[ . 1 . 2 . 3]" 1
267 1 28 LYS H 1 28 LYS HG3 3.300 . 3.500 3.197 2.766 3.505 0.005 18 0 "[ . 1 . 2 . 3]" 1
268 1 28 LYS H 1 28 LYS QD 4.600 . 5.300 4.589 4.185 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 27 TYR HB3 1 28 LYS H 4.100 . 5.300 4.051 3.768 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 28 LYS HA 1 28 LYS HB3 2.400 . 2.700 2.671 2.514 2.757 0.057 8 0 "[ . 1 . 2 . 3]" 1
271 1 28 LYS HA 1 28 LYS HB2 2.900 . 3.500 2.979 2.932 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 28 LYS HA 1 28 LYS QD 4.600 . 5.300 3.889 3.331 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 28 LYS HA 1 28 LYS HG3 3.000 . 3.500 2.650 2.088 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 28 LYS HB2 1 28 LYS HG3 2.900 . 3.500 2.497 2.267 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 29 GLY H 1 29 GLY HA2 2.300 . 2.700 2.368 2.345 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 28 LYS HA 1 29 GLY H 2.700 . 3.500 3.097 2.928 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 29 GLY H 1 29 GLY HA3 2.700 . 3.500 2.916 2.832 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 27 TYR HA 1 29 GLY H 4.100 . 5.300 3.377 3.256 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 29 GLY H 1 30 GLN H 3.000 . 3.500 2.483 2.299 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 28 LYS HB3 1 29 GLY H 4.100 . 5.300 4.234 4.041 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 26 MET HG2 1 29 GLY H 4.600 . 5.300 3.571 2.675 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 28 LYS QG 1 29 GLY H 4.900 . 5.300 4.564 4.422 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 28 LYS HB2 1 29 GLY H 4.500 . 5.300 3.996 3.855 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 28 LYS HG3 1 29 GLY H 5.000 . 5.300 5.043 4.803 5.300 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 26 MET HA 1 30 GLN H 3.900 . 5.300 3.843 3.168 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 30 GLN H 1 30 GLN HB3 3.400 . 3.500 3.401 2.953 3.545 0.045 28 0 "[ . 1 . 2 . 3]" 1
287 1 30 GLN H 1 30 GLN HB2 3.800 . 5.300 3.859 3.613 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 30 GLN H 1 30 GLN QG 3.400 . 3.500 2.247 1.821 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 29 GLY HA2 1 30 GLN H 2.900 . 3.500 2.997 2.721 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 29 GLY HA3 1 30 GLN H 3.800 . 5.300 3.492 3.318 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 28 LYS HB3 1 30 GLN H 4.500 . 5.300 4.422 3.615 5.306 0.006 1 0 "[ . 1 . 2 . 3]" 1
292 1 28 LYS HB2 1 30 GLN H 4.500 . 5.300 3.979 3.567 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 27 TYR HB3 1 30 GLN H 4.500 . 5.300 4.621 4.176 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 30 GLN HA 1 30 GLN HB2 2.500 . 2.700 2.529 2.370 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 30 GLN HA 1 30 GLN HB3 2.800 . 3.500 2.420 2.315 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 31 PRO HA 1 31 PRO HB3 2.500 . 2.700 2.310 2.307 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 30 GLN HA 1 31 PRO HD2 2.700 . 3.500 2.473 2.311 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 27 TYR H 1 32 MET H 4.200 . 5.300 3.706 3.293 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 15 ILE MD 1 32 MET H 4.500 . 5.300 3.041 2.569 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 31 PRO HA 1 32 MET H 2.500 . 2.700 2.230 2.212 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 31 PRO HB2 1 32 MET H 3.600 . 5.300 3.773 3.372 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 32 MET H 1 32 MET HB2 2.800 . 3.500 2.645 2.488 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 32 MET H 1 32 MET HB3 3.500 . 5.300 3.691 3.387 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 32 MET HA 1 32 MET HB3 2.800 . 3.500 2.670 2.494 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 32 MET HA 1 32 MET HG3 3.600 . 5.300 3.145 2.352 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 32 MET HA 1 33 THR H 3.300 . 3.500 2.327 2.208 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 32 MET H 1 33 THR H 4.500 . 5.300 4.415 4.218 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 32 MET HG3 1 33 THR H 4.300 . 5.300 4.816 4.094 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 32 MET HB2 1 33 THR H 4.000 . 5.300 4.112 3.774 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 32 MET HB3 1 33 THR H 2.800 . 3.500 2.905 2.389 3.511 0.011 18 0 "[ . 1 . 2 . 3]" 1
311 1 33 THR H 1 33 THR HB 2.800 . 3.500 2.779 2.443 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 33 THR H 1 87 ARG HB3 5.500 . 6.500 6.320 5.906 6.512 0.012 7 0 "[ . 1 . 2 . 3]" 1
313 1 32 MET ME 1 33 THR H 5.700 . 6.500 3.820 2.285 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 32 MET QG 1 33 THR H 4.500 . 5.300 3.675 2.992 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 34 PHE H 1 34 PHE HA 3.000 . 3.500 2.979 2.959 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 THR HA 1 34 PHE H 4.500 . 5.300 4.481 3.999 5.316 0.016 10 0 "[ . 1 . 2 . 3]" 1
317 1 24 LYS HA 1 34 PHE H 3.900 . 5.300 3.165 2.578 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 34 PHE H 1 34 PHE QD 3.000 . 3.500 3.148 2.361 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 23 VAL H 1 34 PHE H 3.500 . 5.300 3.133 2.667 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 34 PHE H 1 34 PHE HB3 3.600 . 5.300 3.681 3.546 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 34 PHE H 1 34 PHE HB2 3.000 . 3.500 2.537 2.257 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 VAL MG2 1 34 PHE H 4.800 . 5.300 3.426 3.039 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 33 THR MG 1 34 PHE H 4.700 . 5.300 2.385 1.817 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 22 THR MG 1 34 PHE H 5.500 . 6.500 3.672 2.811 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 24 LYS HG3 1 34 PHE H 5.000 . 5.300 4.784 4.311 5.309 0.009 20 0 "[ . 1 . 2 . 3]" 1
326 1 34 PHE HA 1 34 PHE HB3 2.800 . 3.500 2.643 2.586 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 34 PHE QE 1 74 VAL MG1 4.700 . 5.300 3.246 2.048 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 34 PHE QE 1 74 VAL MG2 5.400 . 6.500 3.443 2.683 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 34 PHE QE 1 74 VAL HB 3.500 . 5.300 3.318 2.627 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 25 LEU MD1 1 34 PHE QE 4.500 . 5.300 3.690 3.227 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 34 PHE QE 1 90 ALA MB 3.900 . 5.300 3.059 2.443 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 34 PHE QE 1 92 ILE MD 5.800 . 6.500 4.156 3.672 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 25 LEU HB2 1 34 PHE QE 2.700 . 3.500 3.176 2.533 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 25 LEU HB2 1 34 PHE QD 2.700 . 3.500 2.968 2.391 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 32 MET HB3 1 34 PHE QE 3.500 . 5.300 2.970 2.040 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 32 MET HB2 1 34 PHE QE 2.600 . 2.700 2.549 2.002 2.708 0.008 18 0 "[ . 1 . 2 . 3]" 1
337 1 34 PHE QE 1 88 GLY H 5.300 . 6.500 5.416 5.055 5.816 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 34 PHE HA 1 34 PHE QD 3.500 . 5.300 2.958 2.815 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 34 PHE QD 1 88 GLY HA3 3.500 . 5.300 3.665 3.219 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 34 PHE QD 1 88 GLY H 5.000 . 5.300 4.530 4.118 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 32 MET ME 1 34 PHE QD 5.700 . 6.500 4.475 3.860 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 32 MET HB2 1 34 PHE QD 5.000 . 5.300 4.050 3.544 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 32 MET HB3 1 34 PHE QD 4.000 . 5.300 3.818 3.257 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 34 PHE HB2 1 34 PHE QD 2.900 . 3.500 2.467 2.391 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 34 PHE HB3 1 34 PHE QD 2.700 . 3.500 2.371 2.306 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 34 PHE QD 1 92 ILE HG12 5.000 . 5.300 5.075 4.522 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 34 PHE QD 1 92 ILE MD 4.600 . 5.300 2.844 2.412 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 25 LEU MD1 1 34 PHE QD 4.500 . 5.300 2.818 2.466 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 34 PHE QD 1 90 ALA MB 3.900 . 5.300 2.884 2.388 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 25 LEU HG 1 34 PHE QD 2.700 . 3.500 3.009 2.437 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 25 LEU HB3 1 34 PHE QD 4.000 . 5.300 4.531 4.025 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 25 LEU HB3 1 34 PHE QE 4.000 . 5.300 4.777 4.103 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 34 PHE QD 1 76 PHE QE 4.500 . 5.300 4.436 4.048 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 34 PHE HZ 1 74 VAL MG1 5.500 . 6.500 4.039 3.227 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 34 PHE HZ 1 74 VAL MG2 5.600 . 6.500 3.700 3.131 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 27 TYR HB3 1 34 PHE HZ 4.000 . 5.300 3.198 2.395 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 27 TYR HB2 1 34 PHE HZ 3.600 . 5.300 2.749 2.041 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 34 PHE HZ 1 90 ALA MB 6.000 . 6.500 5.113 4.449 5.388 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 34 PHE HZ 1 76 PHE HZ 3.200 . 3.500 2.792 2.022 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 27 TYR HA 1 34 PHE QE 5.000 . 5.300 5.023 4.578 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 27 TYR HB2 1 34 PHE QE 3.500 . 5.300 2.918 2.468 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 34 PHE QD 1 74 VAL MG1 5.500 . 6.500 3.316 2.671 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 35 ARG H 1 35 ARG HB2 3.300 . 3.500 2.922 2.477 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 34 PHE HB3 1 35 ARG H 4.200 . 5.300 3.367 2.674 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 34 PHE HA 1 35 ARG H 3.000 . 3.500 2.234 2.183 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 34 PHE QD 1 35 ARG H 4.300 . 5.300 3.926 3.328 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 35 ARG H 1 89 LEU HA 4.000 . 5.300 3.675 3.259 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 35 ARG H 1 90 ALA H 3.500 . 5.300 4.098 3.643 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 35 ARG H 1 35 ARG QG 4.600 . 5.300 4.046 3.929 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 35 ARG HA 1 35 ARG HB2 2.600 . 2.700 2.521 2.410 2.702 0.002 21 0 "[ . 1 . 2 . 3]" 1
371 1 35 ARG HA 1 35 ARG HB3 2.800 . 3.500 3.024 2.976 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 33 THR MG 1 35 ARG H 5.700 . 6.500 4.709 3.640 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 35 ARG HA 1 36 LEU H 2.700 . 3.500 2.214 2.191 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 36 LEU H 1 36 LEU HA 2.700 . 3.500 2.814 2.762 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 36 LEU H 1 36 LEU HG 2.500 . 2.700 2.024 1.879 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 36 LEU H 1 36 LEU HB3 3.500 . 5.300 3.621 3.608 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 36 LEU H 1 36 LEU HB2 2.600 . 2.700 2.627 2.468 2.722 0.022 13 0 "[ . 1 . 2 . 3]" 1
378 1 21 ASP HA 1 36 LEU H 4.100 . 5.300 3.452 3.162 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 22 THR HA 1 36 LEU H 4.000 . 5.300 3.950 3.043 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 35 ARG HB2 1 36 LEU H 4.100 . 5.300 4.323 3.995 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 36 LEU HA 1 36 LEU HB3 2.700 . 3.500 2.455 2.405 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 36 LEU HA 1 36 LEU HG 3.400 . 3.500 3.220 3.084 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 36 LEU HA 1 37 LEU H 2.900 . 3.500 2.201 2.178 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 37 LEU H 1 37 LEU HA 3.000 . 3.500 2.930 2.875 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 37 LEU H 1 37 LEU HG 3.500 . 5.300 3.758 3.491 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 37 LEU H 1 37 LEU MD2 5.200 . 5.300 4.207 4.061 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 37 LEU H 1 37 LEU MD1 4.700 . 5.300 4.112 3.949 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 37 LEU H 1 37 LEU HB3 4.000 . 5.300 3.240 3.102 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 37 LEU H 1 37 LEU HB2 2.700 . 3.500 2.154 2.085 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 36 LEU MD2 1 37 LEU H 4.200 . 5.300 3.519 3.223 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 36 LEU MD1 1 37 LEU H 6.000 . 6.500 5.001 4.731 5.206 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 36 LEU HB3 1 37 LEU H 4.900 . 5.300 3.384 3.004 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 36 LEU HG 1 37 LEU H 5.300 . 6.500 5.243 5.140 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 37 LEU H 1 90 ALA H 3.000 . 3.500 3.446 3.218 3.518 0.018 9 0 "[ . 1 . 2 . 3]" 1
395 1 37 LEU H 1 91 TYR QE 5.300 . 6.500 4.650 4.157 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 37 LEU H 1 38 LEU H 4.800 . 5.300 4.612 4.556 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 37 LEU H 1 100 ASN HD22 3.600 . 5.300 2.248 1.874 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 37 LEU H 1 100 ASN HD21 3.500 . 5.300 2.810 2.386 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 37 LEU HA 1 37 LEU HG 3.000 . 3.500 2.378 2.110 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.300 2.104 1.840 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 37 LEU HA 1 37 LEU HB3 2.800 . 3.500 2.859 2.784 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 38 LEU H 1 38 LEU HA 2.500 . 2.700 2.344 2.338 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 37 LEU HA 1 38 LEU H 2.400 . 2.700 2.239 2.198 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 38 LEU H 1 38 LEU HB2 3.900 . 5.300 3.700 3.506 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 37 LEU HG 1 38 LEU H 4.600 . 5.300 4.032 3.526 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 38 LEU H 1 38 LEU HG 3.500 . 5.300 2.809 2.534 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 38 LEU H 1 38 LEU MD1 5.500 . 6.500 4.303 4.156 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 37 LEU MD1 1 38 LEU H 5.200 . 6.500 4.442 4.200 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 37 LEU MD2 1 38 LEU H 4.600 . 5.300 2.029 1.820 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 37 LEU HB3 1 38 LEU H 3.000 . 3.500 3.395 3.063 3.519 0.019 1 0 "[ . 1 . 2 . 3]" 1
411 1 37 LEU HB2 1 38 LEU H 3.700 . 5.300 4.376 4.213 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 38 LEU HA 1 125 LEU MD1 6.000 . 6.500 4.122 3.657 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 39 VAL H 1 39 VAL MG2 3.900 . 5.300 2.469 2.244 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 39 VAL H 1 39 VAL MG1 4.200 . 5.300 3.874 2.872 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 38 LEU HA 1 39 VAL H 3.400 . 3.500 3.006 2.879 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 37 LEU HA 1 39 VAL H 3.700 . 5.300 3.523 3.211 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 39 VAL H 1 112 ALA MB 4.900 . 5.300 2.273 2.042 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 38 LEU HB2 1 39 VAL H 3.700 . 5.300 4.037 3.745 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 39 VAL H 1 40 ASP H 3.900 . 5.300 4.450 4.315 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 38 LEU H 1 39 VAL H 3.000 . 3.500 2.688 2.565 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 37 LEU HB3 1 39 VAL H 5.000 . 5.300 5.119 4.750 5.310 0.010 26 0 "[ . 1 . 2 . 3]" 1
422 1 38 LEU MD2 1 39 VAL H 5.600 . 6.500 4.350 4.121 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 39 VAL HA 1 111 VAL HA 3.500 . 5.300 2.857 2.625 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 39 VAL HA 1 111 VAL H 5.100 . 5.300 5.078 4.653 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 39 VAL HA 1 39 VAL HB 3.000 . 3.500 2.938 2.458 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 38 LEU HB2 1 39 VAL HA 5.000 . 5.300 4.728 4.541 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 39 VAL HA 1 112 ALA MB 5.200 . 5.300 3.284 3.063 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 39 VAL HA 1 109 ALA MB 5.400 . 6.500 4.049 3.643 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 39 VAL HA 1 111 VAL MG1 5.300 . 6.500 4.300 3.976 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 39 VAL HA 1 111 VAL MG2 5.500 . 6.500 4.445 4.132 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 39 VAL HA 1 40 ASP H 2.600 . 2.700 2.330 2.253 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 40 ASP H 1 112 ALA H 3.800 . 5.300 3.812 3.382 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 40 ASP H 1 40 ASP HB2 3.400 . 3.500 2.744 2.575 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 40 ASP H 1 40 ASP HB3 3.500 . 5.300 3.626 3.254 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 39 VAL MG2 1 40 ASP H 4.800 . 5.300 4.132 3.668 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 39 VAL MG1 1 40 ASP H 4.800 . 5.300 2.354 1.896 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 39 VAL HB 1 40 ASP H 2.700 . 3.500 3.403 2.809 3.532 0.032 9 0 "[ . 1 . 2 . 3]" 1
438 1 40 ASP HA 1 40 ASP HB2 3.000 . 3.500 2.934 2.767 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 40 ASP H 1 112 ALA MB 4.600 . 5.300 3.882 3.514 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 40 ASP H 1 109 ALA MB 4.800 . 5.300 2.747 2.410 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 40 ASP HA 1 41 THR H 3.200 . 3.500 2.314 2.197 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 41 THR HA 1 109 ALA HA 3.300 . 3.500 2.837 1.937 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 41 THR HA 1 41 THR HB 2.600 . 2.700 2.560 2.265 2.714 0.014 20 0 "[ . 1 . 2 . 3]" 1
444 1 41 THR HA 1 109 ALA MB 5.500 . 6.500 2.959 2.030 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 41 THR HA 1 103 LEU QB 5.800 . 6.500 5.843 4.270 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 41 THR HB 1 58 ALA MB 4.300 . 5.300 3.499 2.245 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 41 THR HA 1 42 PRO HD3 5.600 . 6.500 2.400 1.918 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 41 THR HA 1 42 PRO HD2 5.500 . 6.500 2.407 2.015 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 43 GLU H 1 43 GLU QG 4.300 . 5.300 3.318 1.912 4.248 0.088 19 0 "[ . 1 . 2 . 3]" 1
450 1 44 THR H 1 44 THR HB 3.500 . 5.300 3.662 3.156 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 44 THR H 1 45 LYS H 3.500 . 5.300 3.165 1.846 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 43 GLU HB2 1 44 THR H 4.000 . 5.300 4.096 2.205 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 43 GLU HB3 1 44 THR H 3.600 . 5.300 3.885 2.135 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 43 GLU HA 1 44 THR H 3.000 . 3.500 2.692 2.194 3.519 0.019 9 0 "[ . 1 . 2 . 3]" 1
455 1 43 GLU QG 1 44 THR H 4.500 . 5.300 3.957 2.831 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 44 THR H 1 45 LYS HA 5.000 . 5.300 4.755 4.313 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.972 2.938 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 44 THR HA 1 44 THR HB 2.300 . 2.700 2.524 2.323 2.754 0.054 23 0 "[ . 1 . 2 . 3]" 1
459 1 46 HIS H 1 46 HIS HB3 3.800 . 5.300 3.354 2.507 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 46 HIS H 1 46 HIS HB2 3.500 . 5.300 2.493 2.096 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 45 LYS HA 1 46 HIS H 3.200 . 3.500 2.908 2.194 3.571 0.071 17 0 "[ . 1 . 2 . 3]" 1
462 1 46 HIS HA 1 46 HIS HB3 2.700 . 3.500 2.642 2.312 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 46 HIS HA 1 46 HIS HB2 2.700 . 3.500 2.883 2.474 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 46 HIS HB2 1 46 HIS HD2 3.100 . 3.500 3.093 2.752 3.534 0.034 2 0 "[ . 1 . 2 . 3]" 1
465 1 46 HIS HA 1 47 PRO HD3 3.000 . 3.500 2.448 1.890 3.643 0.143 8 0 "[ . 1 . 2 . 3]" 1
466 1 46 HIS H 1 47 PRO HD3 5.300 . 6.500 3.988 2.064 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 48 LYS H 1 48 LYS HA 2.800 . 3.500 2.872 2.344 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 48 LYS H 1 48 LYS QD 5.000 . 5.300 4.158 2.845 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 48 LYS H 1 49 LYS H 3.000 . 3.500 2.616 1.873 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 48 LYS H 1 50 GLY H 3.800 . 5.300 4.001 2.224 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 49 LYS H 1 49 LYS HA 2.700 . 3.500 2.951 2.800 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 48 LYS HA 1 49 LYS H 2.600 . 3.500 3.243 2.285 3.573 0.073 17 0 "[ . 1 . 2 . 3]" 1
473 1 50 GLY H 1 51 VAL H 4.000 . 5.300 3.418 2.317 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 50 GLY H 1 50 GLY HA2 2.900 . 3.500 2.363 2.346 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 48 LYS HA 1 50 GLY H 5.100 . 5.300 3.899 3.053 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 49 LYS H 1 50 GLY H 2.900 . 3.500 2.625 2.046 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 49 LYS HA 1 50 GLY H 3.100 . 3.500 3.205 2.625 3.556 0.056 5 0 "[ . 1 . 2 . 3]" 1
478 1 49 LYS QB 1 50 GLY H 4.900 . 5.300 3.394 2.438 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 51 VAL H 1 51 VAL QG 3.800 . 5.300 2.364 1.892 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 51 VAL H 1 51 VAL HA 2.700 . 3.500 2.952 2.865 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 50 GLY HA2 1 51 VAL H 3.300 . 3.500 2.684 2.193 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 51 VAL H 1 51 VAL HB 2.600 . 2.700 2.573 2.350 2.730 0.030 25 0 "[ . 1 . 2 . 3]" 1
483 1 51 VAL HA 1 51 VAL HB 3.000 . 3.500 2.870 2.459 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 51 VAL H 1 52 GLU H 4.100 . 5.300 4.399 3.445 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 51 VAL QG 1 52 GLU H 4.900 . 5.300 2.563 1.842 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 52 GLU H 1 52 GLU HB2 2.700 . 3.500 2.610 2.198 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 52 GLU H 1 52 GLU HB3 3.500 . 5.300 3.381 2.532 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 51 VAL HA 1 52 GLU H 2.600 . 2.700 2.273 2.185 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 52 GLU H 1 52 GLU HA 3.000 . 3.500 2.921 2.346 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 52 GLU HA 1 53 LYS H 3.300 . 3.500 2.866 2.198 3.558 0.058 10 0 "[ . 1 . 2 . 3]" 1
491 1 53 LYS HA 1 54 TYR H 2.800 . 3.500 3.101 2.208 3.569 0.069 7 0 "[ . 1 . 2 . 3]" 1
492 1 54 TYR H 1 54 TYR QD 4.000 . 5.300 3.152 2.176 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 54 TYR QE 1 108 LEU MD2 5.700 . 6.500 4.171 1.810 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 54 TYR QE 1 139 ILE HA 3.200 . 3.500 2.975 2.383 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 54 TYR QE 1 138 ASN HB3 3.600 . 5.300 3.381 1.982 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 54 TYR QE 1 138 ASN HA 3.200 . 3.500 2.824 1.994 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 53 LYS HB2 1 54 TYR QE 5.600 . 6.500 4.838 3.244 6.391 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 54 TYR HD2 1 139 ILE MD 6.000 . 6.500 5.054 4.030 6.934 0.434 14 0 "[ . 1 . 2 . 3]" 1
499 1 54 TYR HD2 1 139 ILE MG 5.400 . 6.500 4.731 2.242 7.453 0.953 18 3 "[ . 1 *. + 2 - 3]" 1
500 1 54 TYR HD2 1 139 ILE QG 4.300 . 5.300 3.756 2.623 5.665 0.365 14 0 "[ . 1 . 2 . 3]" 1
501 1 54 TYR HD1 1 108 LEU MD2 4.700 . 5.300 3.767 2.501 5.821 0.521 25 1 "[ . 1 . 2 + 3]" 1
502 1 54 TYR HA 1 54 TYR HD1 2.900 . 3.500 2.531 1.871 4.356 0.856 25 3 "[ . 1 *. - 2 + 3]" 1
503 1 54 TYR HB2 1 54 TYR QD 2.900 . 3.500 2.345 2.303 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 55 GLY H 1 55 GLY HA3 3.000 . 3.500 2.358 2.344 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 55 GLY H 1 55 GLY HA2 3.000 . 3.500 2.849 2.741 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 44 THR MG 1 55 GLY H 5.900 . 6.500 4.798 4.172 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 54 TYR H 1 55 GLY H 2.900 . 3.500 2.489 1.838 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 51 VAL MG1 1 55 GLY H 5.300 . 6.500 4.327 2.174 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 58 ALA H 1 59 SER H 2.900 . 3.500 2.727 2.468 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 58 ALA H 1 60 ALA H 4.500 . 5.300 3.876 3.519 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 58 ALA H 1 61 PHE H 5.000 . 5.300 4.701 4.249 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 58 ALA H 1 108 LEU MD2 5.300 . 6.500 3.911 2.475 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 57 GLU QG 1 58 ALA H 5.800 . 6.500 4.050 1.897 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 58 ALA HA 1 61 PHE HB3 2.900 . 3.500 2.839 2.053 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 58 ALA HA 1 108 LEU MD1 5.000 . 5.300 2.896 2.095 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 59 SER H 1 59 SER HA 3.000 . 3.500 2.859 2.802 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 58 ALA HA 1 59 SER H 3.900 . 5.300 3.563 3.461 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 20 GLY HA2 1 59 SER H 4.100 . 5.300 4.640 3.899 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 59 SER H 1 59 SER HB3 3.300 . 3.500 2.659 2.146 3.500 0.000 7 0 "[ . 1 . 2 . 3]" 1
520 1 58 ALA MB 1 59 SER H 4.400 . 5.300 2.433 1.990 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 59 SER H 1 60 ALA H 3.000 . 3.500 2.656 2.451 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 59 SER H 1 60 ALA MB 5.500 . 6.500 4.318 4.162 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 59 SER H 1 61 PHE H 4.500 . 5.300 4.208 3.609 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 56 PRO HA 1 59 SER H 6.000 . 6.500 4.419 3.229 6.516 0.016 19 0 "[ . 1 . 2 . 3]" 1
525 1 60 ALA H 1 60 ALA HA 3.000 . 3.500 2.914 2.860 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 59 SER HA 1 60 ALA H 4.000 . 5.300 3.495 3.380 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 59 SER HB3 1 60 ALA H 3.000 . 3.500 3.041 2.565 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 60 ALA H 1 62 THR H 5.000 . 5.300 3.841 3.617 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 60 ALA HA 1 63 LYS HB2 3.500 . 5.300 4.247 3.653 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 61 PHE H 1 61 PHE HB2 2.700 . 3.500 2.808 2.678 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 61 PHE H 1 61 PHE HB3 2.700 . 3.500 2.361 2.304 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 61 PHE H 1 61 PHE HA 2.900 . 3.500 2.909 2.872 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 58 ALA HA 1 61 PHE H 3.300 . 3.500 3.397 3.156 3.507 0.007 23 0 "[ . 1 . 2 . 3]" 1
534 1 61 PHE H 1 61 PHE QD 4.800 . 5.300 4.102 4.041 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 61 PHE H 1 108 LEU MD1 5.400 . 6.500 4.613 3.736 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 61 PHE H 1 103 LEU MD1 6.000 . 6.500 6.166 5.223 6.572 0.072 3 0 "[ . 1 . 2 . 3]" 1
537 1 60 ALA H 1 61 PHE H 2.700 . 3.500 2.486 2.348 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 60 ALA MB 1 61 PHE H 4.000 . 5.300 2.683 2.386 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 60 ALA HA 1 61 PHE H 3.600 . 5.300 3.530 3.412 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 61 PHE HA 1 61 PHE HB2 2.600 . 2.700 2.400 2.379 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 61 PHE HA 1 64 LYS QB 3.700 . 5.300 2.551 2.226 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 61 PHE QD 1 62 THR HB 5.000 . 5.300 4.754 4.153 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 61 PHE HB2 1 61 PHE QD 2.800 . 3.500 2.381 2.333 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 61 PHE HB3 1 61 PHE QD 2.700 . 3.500 2.452 2.350 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 61 PHE QD 1 62 THR HA 2.900 . 3.500 3.006 2.628 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 61 PHE QD 1 108 LEU MD1 4.500 . 5.300 3.735 3.053 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 61 PHE QD 1 103 LEU MD2 4.200 . 5.300 2.106 1.806 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 61 PHE QD 1 103 LEU HG 2.900 . 3.500 2.810 2.202 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 61 PHE QD 1 102 ALA MB 5.700 . 6.500 4.338 3.991 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 61 PHE QD 1 103 LEU QB 5.000 . 5.300 4.569 4.230 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 61 PHE HA 1 61 PHE QD 3.500 . 5.300 3.028 2.693 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 61 PHE QE 1 108 LEU MD1 5.600 . 6.500 4.626 3.872 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 61 PHE QE 1 103 LEU MD2 5.000 . 5.300 3.313 2.751 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 61 PHE QE 1 103 LEU H 3.500 . 5.300 3.582 3.190 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 61 PHE QE 1 102 ALA MB 4.100 . 5.300 2.479 1.954 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 61 PHE QE 1 103 LEU HG 3.200 . 3.500 2.323 2.061 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 61 PHE QE 1 103 LEU QB 4.100 . 5.300 4.356 3.994 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 62 THR H 1 62 THR HA 2.800 . 3.500 2.929 2.912 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 61 PHE HB2 1 62 THR H 3.500 . 5.300 4.184 3.974 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 61 PHE HB3 1 62 THR H 2.900 . 3.500 3.010 2.690 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 61 PHE HA 1 62 THR H 3.000 . 3.500 3.481 3.433 3.537 0.037 6 0 "[ . 1 . 2 . 3]" 1
562 1 62 THR H 1 62 THR HB 2.600 . 2.700 2.524 2.341 2.716 0.016 22 0 "[ . 1 . 2 . 3]" 1
563 1 61 PHE QD 1 62 THR H 3.300 . 3.500 3.366 2.998 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 62 THR H 1 63 LYS H 2.900 . 3.500 2.545 2.357 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 62 THR H 1 64 LYS H 4.700 . 5.300 3.612 3.451 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 61 PHE H 1 62 THR H 3.000 . 3.500 2.477 2.380 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 62 THR H 1 63 LYS HB2 5.000 . 5.300 4.895 4.486 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 60 ALA MB 1 62 THR H 5.500 . 6.500 4.377 4.135 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 62 THR H 1 62 THR MG 4.300 . 5.300 3.776 3.728 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 62 THR H 1 103 LEU MD1 4.700 . 5.300 4.808 3.952 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 62 THR H 1 103 LEU MD2 5.800 . 6.500 3.823 3.449 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 62 THR HA 1 65 MET HB3 2.700 . 3.500 3.219 2.805 3.506 0.006 3 0 "[ . 1 . 2 . 3]" 1
573 1 62 THR HA 1 62 THR HB 2.900 . 3.500 3.030 3.017 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 63 LYS H 1 63 LYS HA 2.800 . 3.500 2.891 2.838 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 62 THR HA 1 63 LYS H 3.800 . 5.300 3.572 3.530 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 61 PHE HA 1 63 LYS H 5.000 . 5.300 4.822 4.399 5.303 0.003 26 0 "[ . 1 . 2 . 3]" 1
577 1 63 LYS H 1 65 MET H 4.500 . 5.300 4.370 3.844 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 63 LYS H 1 64 LYS H 2.700 . 3.500 2.537 2.402 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 63 LYS H 1 63 LYS HB2 2.500 . 2.700 2.477 2.219 2.714 0.014 23 0 "[ . 1 . 2 . 3]" 1
580 1 63 LYS H 1 63 LYS QD 5.200 . 5.300 4.368 4.108 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 62 THR MG 1 63 LYS H 4.800 . 5.300 3.342 2.853 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 63 LYS H 1 63 LYS HG2 3.600 . 5.300 4.413 4.205 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 63 LYS H 1 63 LYS HG3 3.500 . 5.300 4.491 4.113 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 60 ALA HA 1 63 LYS H 5.500 . 6.500 3.668 3.428 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 62 THR HB 1 63 LYS H 2.500 . 2.700 2.405 1.967 2.711 0.011 19 0 "[ . 1 . 2 . 3]" 1
586 1 63 LYS HA 1 63 LYS HB3 3.000 . 3.500 3.016 2.951 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 63 LYS HA 1 63 LYS HB2 2.200 . 2.700 2.552 2.425 2.732 0.032 7 0 "[ . 1 . 2 . 3]" 1
588 1 63 LYS HA 1 63 LYS HG2 2.300 . 2.700 2.413 1.959 2.710 0.010 13 0 "[ . 1 . 2 . 3]" 1
589 1 63 LYS HA 1 63 LYS QD 3.700 . 5.300 3.831 3.257 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 62 THR MG 1 63 LYS HA 4.900 . 5.300 3.554 3.132 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 63 LYS HA 1 66 VAL HB 4.500 . 5.300 4.540 4.383 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 63 LYS HA 1 64 LYS H 3.200 . 3.500 3.489 3.418 3.529 0.029 27 0 "[ . 1 . 2 . 3]" 1
593 1 64 LYS H 1 64 LYS HA 2.700 . 3.500 2.924 2.898 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 61 PHE HA 1 64 LYS H 3.500 . 5.300 3.624 3.408 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 64 LYS H 1 65 MET H 2.600 . 2.700 2.551 2.382 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 64 LYS H 1 66 VAL MG2 6.000 . 6.500 3.707 3.501 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 64 LYS H 1 64 LYS HG2 4.500 . 5.300 4.095 2.603 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 64 LYS H 1 64 LYS HG3 3.600 . 5.300 3.838 2.451 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 64 LYS H 1 64 LYS QD 5.100 . 5.300 4.231 3.351 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 64 LYS H 1 64 LYS HB2 2.300 . 2.700 2.443 2.129 2.710 0.010 3 0 "[ . 1 . 2 . 3]" 1
601 1 63 LYS HB2 1 64 LYS H 4.000 . 5.300 3.956 3.625 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 64 LYS HA 1 67 GLU HB2 3.400 . 3.500 2.582 2.247 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.500 2.746 2.442 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 64 LYS HA 1 64 LYS HG3 3.700 . 5.300 2.766 1.959 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 62 THR HA 1 65 MET H 3.500 . 5.300 3.755 3.604 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 65 MET H 1 65 MET HA 2.900 . 3.500 2.869 2.799 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 65 MET H 1 65 MET QG 4.600 . 5.300 4.008 3.974 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 65 MET H 1 65 MET HB2 3.200 . 3.500 2.561 2.440 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 65 MET H 1 66 VAL MG2 5.100 . 5.300 3.828 3.615 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 65 MET H 1 66 VAL MG1 6.000 . 6.500 4.034 3.795 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 64 LYS QG 1 65 MET H 4.400 . 5.300 3.921 3.190 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 63 LYS HB2 1 65 MET H 5.500 . 6.500 6.134 5.632 6.504 0.004 6 0 "[ . 1 . 2 . 3]" 1
613 1 64 LYS HB2 1 65 MET H 4.400 . 5.300 3.220 2.417 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 65 MET H 1 65 MET HB3 2.500 . 2.700 2.567 2.438 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 61 PHE HA 1 65 MET H 3.400 . 3.500 3.517 3.379 3.544 0.044 19 0 "[ . 1 . 2 . 3]" 1
616 1 64 LYS HA 1 65 MET H 4.000 . 5.300 3.573 3.522 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 65 MET H 1 66 VAL H 2.800 . 3.500 2.631 2.450 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 65 MET H 1 66 VAL HA 5.300 . 6.500 5.299 5.156 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 65 MET HA 1 65 MET HB3 3.000 . 3.500 3.032 3.025 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 65 MET HA 1 65 MET HB2 2.900 . 3.500 2.484 2.417 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 65 MET HA 1 68 ASN HB2 2.900 . 3.500 3.316 2.922 3.512 0.012 15 0 "[ . 1 . 2 . 3]" 1
622 1 66 VAL H 1 66 VAL MG2 3.800 . 5.300 1.930 1.838 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 66 VAL H 1 66 VAL MG1 3.800 . 5.300 2.252 1.986 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 65 MET HB3 1 66 VAL H 2.900 . 3.500 2.857 2.680 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 66 VAL H 1 66 VAL HB 3.500 . 5.300 3.655 3.636 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 66 VAL H 1 68 ASN H 3.800 . 5.300 4.078 3.658 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 65 MET HA 1 66 VAL H 2.800 . 3.500 3.514 3.476 3.540 0.040 19 0 "[ . 1 . 2 . 3]" 1
628 1 63 LYS HA 1 66 VAL H 3.500 . 5.300 3.665 3.508 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 62 THR MG 1 66 VAL H 5.300 . 6.500 4.411 4.172 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 66 VAL H 1 66 VAL HA 2.800 . 3.500 2.934 2.912 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 66 VAL H 1 67 GLU H 2.700 . 3.500 2.405 2.305 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 66 VAL HA 1 66 VAL HB 2.500 . 2.700 2.450 2.411 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 66 VAL HA 1 69 ALA MB 4.900 . 5.300 2.481 2.092 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 66 VAL HA 1 94 ALA MB 4.500 . 5.300 2.891 2.244 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 67 GLU H 1 67 GLU HB2 2.600 . 2.700 2.239 2.115 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 66 VAL HB 1 67 GLU H 3.700 . 5.300 3.870 3.649 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 67 GLU H 1 67 GLU HB3 3.500 . 5.300 3.529 3.362 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 67 GLU H 1 67 GLU HG2 2.800 . 3.500 3.008 2.352 3.508 0.008 16 0 "[ . 1 . 2 . 3]" 1
639 1 63 LYS HA 1 67 GLU H 3.700 . 5.300 3.925 3.479 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 64 LYS HA 1 67 GLU H 3.500 . 5.300 3.410 3.143 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 64 LYS HB2 1 67 GLU H 5.500 . 6.500 5.558 5.289 5.848 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 67 GLU H 1 67 GLU HA 2.800 . 3.500 2.895 2.845 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 67 GLU H 1 69 ALA H 4.000 . 5.300 4.120 3.782 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 67 GLU H 1 68 ASN H 2.700 . 3.500 2.595 2.278 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 65 MET H 1 67 GLU H 3.600 . 5.300 4.101 3.773 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 65 MET HB3 1 67 GLU H 5.000 . 5.300 5.084 4.768 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 66 VAL MG1 1 67 GLU H 4.300 . 5.300 3.858 3.708 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 66 VAL MG2 1 67 GLU H 4.300 . 5.300 1.996 1.780 2.401 0.020 13 0 "[ . 1 . 2 . 3]" 1
649 1 66 VAL HA 1 67 GLU H 3.600 . 5.300 3.522 3.415 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 14 LEU MD2 1 67 GLU H 5.500 . 6.500 3.757 2.970 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 66 VAL MG2 1 67 GLU HA 4.700 . 5.300 3.302 3.059 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 68 ASN H 1 69 ALA H 2.600 . 2.700 2.547 2.189 2.737 0.037 4 0 "[ . 1 . 2 . 3]" 1
653 1 65 MET HA 1 68 ASN H 3.500 . 5.300 3.800 3.556 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 67 GLU HA 1 68 ASN H 3.000 . 3.500 3.534 3.431 3.573 0.073 21 0 "[ . 1 . 2 . 3]" 1
655 1 68 ASN H 1 68 ASN HB2 2.500 . 2.700 2.581 2.319 2.733 0.033 25 0 "[ . 1 . 2 . 3]" 1
656 1 68 ASN H 1 68 ASN HB3 3.500 . 5.300 3.642 3.581 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 67 GLU HB3 1 68 ASN H 3.700 . 5.300 3.325 2.685 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 67 GLU HB2 1 68 ASN H 3.500 . 5.300 2.794 2.265 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 66 VAL MG2 1 68 ASN H 5.300 . 6.500 4.207 3.942 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 68 ASN H 1 69 ALA MB 5.300 . 6.500 4.129 3.824 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 66 VAL HA 1 68 ASN H 3.700 . 5.500 4.490 3.918 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 68 ASN H 1 68 ASN HD22 3.400 . 3.500 3.481 3.261 3.538 0.038 4 0 "[ . 1 . 2 . 3]" 1
663 1 68 ASN HB3 1 68 ASN HD21 3.500 . 5.300 3.299 2.902 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 64 LYS HA 1 68 ASN HD21 4.200 . 5.300 3.967 2.562 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 68 ASN HB3 1 68 ASN HD22 3.700 . 5.300 3.966 3.781 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 64 LYS HA 1 68 ASN HD22 3.900 . 5.300 3.563 3.019 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 66 VAL HA 1 69 ALA H 4.100 . 5.300 3.734 3.469 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 68 ASN HA 1 69 ALA H 3.600 . 5.300 3.575 3.549 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 65 MET HA 1 69 ALA H 3.300 . 3.500 3.526 3.467 3.571 0.071 2 0 "[ . 1 . 2 . 3]" 1
670 1 67 GLU HA 1 69 ALA H 3.900 . 5.300 4.911 4.530 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 68 ASN HB2 1 69 ALA H 3.400 . 3.500 2.432 2.202 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 68 ASN HB3 1 69 ALA H 3.800 . 5.300 3.601 3.252 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 69 ALA H 1 72 ILE HG13 4.800 . 5.300 5.277 5.162 5.341 0.041 8 0 "[ . 1 . 2 . 3]" 1
674 1 69 ALA H 1 72 ILE MD 5.900 . 6.500 4.883 4.527 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 69 ALA H 1 70 LYS H 4.600 . 5.300 4.395 4.166 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 66 VAL H 1 69 ALA H 4.900 . 5.300 4.605 4.281 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 70 LYS H 1 70 LYS HA 3.000 . 3.500 2.906 2.847 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 69 ALA HA 1 70 LYS H 3.200 . 3.500 2.228 2.185 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 70 LYS H 1 95 ASP H 4.300 . 5.300 4.737 3.720 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 70 LYS H 1 70 LYS HB3 4.000 . 5.300 3.597 2.966 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 70 LYS H 1 70 LYS HB2 3.500 . 5.300 2.588 2.209 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 70 LYS H 1 70 LYS HG2 3.300 . 3.500 2.751 1.928 3.527 0.027 2 0 "[ . 1 . 2 . 3]" 1
683 1 69 ALA MB 1 70 LYS H 4.800 . 5.300 3.424 3.115 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 70 LYS H 1 70 LYS HG3 3.200 . 3.500 2.669 1.918 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 70 LYS HA 1 70 LYS HB3 2.800 . 3.500 2.455 2.316 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 69 ALA MB 1 70 LYS HA 5.500 . 6.500 4.412 4.277 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 70 LYS HA 1 70 LYS HD3 5.100 . 5.300 3.719 1.872 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 70 LYS HA 1 71 LYS H 3.800 . 5.300 3.454 3.317 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 71 LYS H 1 71 LYS HB3 3.500 . 5.300 3.694 3.537 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 71 LYS H 1 71 LYS HB2 2.700 . 3.500 2.526 2.275 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 71 LYS H 1 71 LYS HG3 3.200 . 3.500 3.044 2.507 3.519 0.019 3 0 "[ . 1 . 2 . 3]" 1
692 1 71 LYS H 1 71 LYS HG2 4.000 . 5.300 3.788 2.261 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 69 ALA MB 1 71 LYS H 4.900 . 5.300 3.129 2.574 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 70 LYS H 1 71 LYS H 2.900 . 3.500 2.502 2.283 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 70 LYS HB2 1 71 LYS H 3.000 . 3.500 3.114 2.587 3.518 0.018 28 0 "[ . 1 . 2 . 3]" 1
696 1 71 LYS HA 1 71 LYS HB3 2.900 . 3.500 2.524 2.332 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 72 ILE H 1 72 ILE MD 5.400 . 6.500 2.610 1.837 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 72 ILE H 1 72 ILE HG12 4.300 . 5.300 4.123 3.864 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 71 LYS HA 1 72 ILE H 2.700 . 3.500 2.318 2.195 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 71 LYS HB2 1 72 ILE H 4.400 . 5.300 4.478 3.808 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 71 LYS HB3 1 72 ILE H 3.500 . 5.300 4.030 3.207 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 12 ALA H 1 72 ILE H 3.900 . 5.300 4.425 3.782 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 72 ILE H 1 72 ILE HG13 3.200 . 3.500 2.952 2.410 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 71 LYS HG2 1 72 ILE H 4.000 . 5.300 4.759 4.147 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 72 ILE H 1 72 ILE HB 2.500 . 2.700 2.506 2.336 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 72 ILE HA 1 72 ILE HB 2.700 . 3.500 3.033 3.025 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 72 ILE HA 1 94 ALA HA 2.900 . 3.500 2.902 2.598 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 72 ILE HA 1 94 ALA MB 4.500 . 5.300 3.992 3.651 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 69 ALA MB 1 72 ILE HA 5.700 . 6.500 3.712 3.538 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 12 ALA MB 1 72 ILE MG 5.600 . 6.500 2.678 2.093 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 73 GLU H 1 94 ALA MB 5.500 . 6.500 4.999 4.558 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 73 GLU H 1 92 ILE MG 5.500 . 6.500 3.947 3.458 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 72 ILE HA 1 73 GLU H 2.500 . 2.700 2.209 2.189 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 72 ILE MG 1 73 GLU H 4.300 . 5.300 2.905 2.246 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 73 GLU H 1 73 GLU QG 3.500 . 5.300 3.184 2.357 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 73 GLU H 1 73 GLU QB 3.500 . 5.300 2.536 2.243 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 73 GLU H 1 93 TYR HB2 3.500 . 5.300 2.908 2.361 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 73 GLU H 1 94 ALA HA 4.000 . 5.300 3.974 3.688 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 72 ILE HB 1 73 GLU H 4.300 . 5.300 4.366 4.051 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 73 GLU H 1 93 TYR QD 4.300 . 5.300 4.590 3.905 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 73 GLU H 1 73 GLU HA 3.000 . 3.500 2.989 2.981 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 72 ILE HG13 1 73 GLU H 4.700 . 5.300 4.608 4.397 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 72 ILE HG12 1 73 GLU H 4.200 . 5.300 5.101 4.527 5.310 0.010 14 0 "[ . 1 . 2 . 3]" 1
724 1 73 GLU H 1 93 TYR H 3.400 . 3.500 3.139 2.620 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 12 ALA MB 1 73 GLU HA 5.000 . 5.300 3.180 2.583 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 72 ILE HB 1 73 GLU HA 5.000 . 5.300 4.814 4.595 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 11 PRO HA 1 73 GLU HA 2.700 . 3.500 2.923 2.405 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 73 GLU HA 1 74 VAL H 2.600 . 2.700 2.454 2.333 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 11 PRO HA 1 74 VAL H 4.500 . 5.300 4.389 3.782 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 73 GLU QB 1 74 VAL H 4.000 . 5.300 2.494 2.092 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 74 VAL H 1 74 VAL HB 3.600 . 5.300 3.769 2.966 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 73 GLU H 1 74 VAL H 4.500 . 5.300 4.517 4.428 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 72 ILE MG 1 74 VAL H 5.900 . 6.500 5.029 4.770 5.276 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 74 VAL MG1 1 92 ILE MD 5.600 . 6.500 1.965 1.704 2.470 0.096 18 0 "[ . 1 . 2 . 3]" 1
735 1 25 LEU MD1 1 74 VAL MG1 5.000 . 5.300 2.493 2.033 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 74 VAL MG1 1 92 ILE MG 5.700 . 6.500 2.806 2.358 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 74 VAL MG1 1 90 ALA MB 5.800 . 6.500 3.751 2.191 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 74 VAL MG1 1 92 ILE HG12 5.300 . 6.500 4.413 4.028 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 75 GLU H 1 93 TYR QE 4.300 . 5.300 3.514 2.711 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 75 GLU H 1 93 TYR QD 4.200 . 5.300 3.729 2.919 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 75 GLU H 1 90 ALA MB 4.300 . 5.300 2.901 2.500 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 74 VAL MG1 1 75 GLU H 5.100 . 5.300 3.609 1.857 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 74 VAL MG2 1 75 GLU H 5.100 . 5.300 3.794 3.302 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 74 VAL HB 1 75 GLU H 3.300 . 3.500 2.737 2.233 3.505 0.005 23 0 "[ . 1 . 2 . 3]" 1
745 1 75 GLU H 1 75 GLU HB2 3.300 . 3.500 3.141 2.826 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 75 GLU H 1 75 GLU HB3 3.100 . 3.500 2.914 2.690 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 75 GLU H 1 91 TYR HB2 3.500 . 5.300 3.654 2.951 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 74 VAL HA 1 75 GLU H 3.500 . 5.300 2.372 2.211 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 75 GLU HA 1 75 GLU QG 3.600 . 5.300 2.301 2.120 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 9 LYS HA 1 75 GLU HA 3.100 . 3.500 2.997 2.587 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 76 PHE H 1 76 PHE HB3 3.700 . 5.300 3.581 3.543 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 75 GLU HA 1 76 PHE H 2.600 . 2.700 2.213 2.184 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 9 LYS HA 1 76 PHE H 4.500 . 5.300 4.746 4.086 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 76 PHE H 1 76 PHE QD 2.900 . 3.500 2.547 2.111 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 76 PHE H 1 76 PHE QE 4.600 . 5.300 4.639 4.289 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 76 PHE H 1 76 PHE HB2 2.700 . 3.500 2.292 2.231 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 75 GLU HB3 1 76 PHE H 4.300 . 5.300 4.283 4.020 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 75 GLU HB2 1 76 PHE H 4.500 . 5.300 4.510 4.323 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 76 PHE HA 1 76 PHE HB3 2.900 . 3.500 2.600 2.546 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 76 PHE HA 1 90 ALA HA 4.500 . 5.300 2.967 2.365 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 27 TYR QE 1 76 PHE QE 3.500 . 5.300 3.670 2.590 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 76 PHE QE 1 89 LEU H 3.100 . 3.500 3.310 2.776 3.501 0.001 18 0 "[ . 1 . 2 . 3]" 1
763 1 76 PHE QE 1 90 ALA MB 5.300 . 6.500 3.082 2.694 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 32 MET ME 1 76 PHE QE 6.000 . 6.500 4.365 3.450 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 76 PHE QE 1 88 GLY HA2 3.500 . 5.300 3.219 2.518 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 76 PHE QD 1 81 ARG HG3 4.200 . 5.300 3.726 2.047 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 76 PHE HA 1 76 PHE QD 2.800 . 3.500 2.785 2.274 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 76 PHE QD 1 81 ARG HB2 4.100 . 5.300 4.560 2.795 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 76 PHE HB3 1 76 PHE QD 2.700 . 3.500 2.443 2.325 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 76 PHE HB2 1 76 PHE QD 2.700 . 3.500 2.400 2.303 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 76 PHE QD 1 90 ALA MB 5.000 . 5.300 2.703 2.058 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 32 MET ME 1 76 PHE HZ 5.400 . 6.500 3.812 2.512 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 34 PHE QE 1 76 PHE HZ 5.000 . 5.300 2.403 1.889 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 76 PHE HZ 1 90 ALA MB 6.000 . 6.500 3.910 3.357 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 77 ASP H 1 79 GLY H 4.300 . 5.300 4.404 3.878 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 76 PHE QD 1 77 ASP H 3.900 . 5.300 3.417 3.083 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 37 LEU MD1 1 77 ASP H 4.900 . 5.300 3.639 3.298 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 76 PHE HB3 1 77 ASP H 3.000 . 3.500 2.770 2.031 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 76 PHE HB2 1 77 ASP H 3.800 . 5.300 3.994 3.481 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 77 ASP H 1 77 ASP HB3 4.100 . 5.300 3.018 2.712 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 77 ASP H 1 77 ASP HB2 3.000 . 3.500 2.547 2.115 3.581 0.081 24 0 "[ . 1 . 2 . 3]" 1
782 1 76 PHE HA 1 77 ASP H 2.900 . 3.500 2.356 2.201 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 77 ASP H 1 118 ASN HA 5.500 . 6.500 6.307 5.788 6.508 0.008 21 0 "[ . 1 . 2 . 3]" 1
784 1 77 ASP HA 1 77 ASP HB3 3.000 . 3.500 2.866 2.329 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 77 ASP HA 1 77 ASP HB2 2.800 . 3.500 2.721 2.542 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 77 ASP HA 1 120 THR MG 5.500 . 6.500 4.533 3.366 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 7 LEU MD2 1 77 ASP HA 3.600 . 5.300 3.324 2.005 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 7 LEU MD1 1 77 ASP HA 4.000 . 5.300 3.059 1.954 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 37 LEU MD1 1 77 ASP HA 5.800 . 6.500 5.032 4.483 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 78 LYS H 1 78 LYS HB3 3.500 . 5.300 3.161 2.423 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 78 LYS H 1 78 LYS HA 3.000 . 3.500 2.926 2.839 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 77 ASP HA 1 78 LYS H 2.900 . 3.500 2.630 2.435 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 78 LYS H 1 79 GLY H 2.700 . 3.500 2.527 2.274 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 77 ASP HB3 1 78 LYS H 3.400 . 3.500 2.758 1.970 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 77 ASP HB2 1 78 LYS H 5.500 . 6.500 3.570 1.875 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 78 LYS H 1 78 LYS QD 4.900 . 5.300 3.907 2.896 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 78 LYS H 1 78 LYS HG3 3.400 . 3.500 2.338 1.877 3.512 0.012 24 0 "[ . 1 . 2 . 3]" 1
798 1 78 LYS HA 1 78 LYS HB3 2.500 . 2.700 2.420 2.336 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 79 GLY H 1 118 ASN HD21 4.500 . 5.300 5.049 4.435 5.312 0.012 1 0 "[ . 1 . 2 . 3]" 1
800 1 79 GLY H 1 118 ASN HD22 3.900 . 5.300 4.048 3.469 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 78 LYS HA 1 79 GLY H 3.500 . 5.300 3.344 2.814 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 78 LYS HB2 1 79 GLY H 3.500 . 5.300 3.774 2.969 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 78 LYS HB3 1 79 GLY H 4.000 . 5.300 4.305 4.044 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 78 LYS QD 1 79 GLY H 6.000 . 6.500 4.667 2.431 5.734 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 77 ASP HB3 1 79 GLY H 4.400 . 5.300 2.475 1.989 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 77 ASP HB2 1 79 GLY H 5.000 . 5.300 3.708 2.371 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 79 GLY H 1 79 GLY HA3 2.800 . 3.500 2.385 2.347 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 79 GLY H 1 79 GLY HA2 3.000 . 3.500 2.924 2.867 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 79 GLY H 1 118 ASN HA 3.500 . 5.300 3.759 3.174 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 79 GLY H 1 119 ASN H 5.500 . 6.500 5.457 4.665 6.250 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 80 GLN H 1 118 ASN HD21 4.000 . 5.300 3.363 2.473 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 80 GLN H 1 118 ASN HD22 3.900 . 5.300 2.847 1.999 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 80 GLN H 1 80 GLN HB2 2.700 . 3.500 2.252 2.087 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 80 GLN H 1 80 GLN HB3 3.500 . 5.300 3.449 2.964 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 80 GLN H 1 80 GLN QG 4.000 . 5.300 3.042 2.170 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 79 GLY HA2 1 80 GLN H 3.500 . 5.300 2.903 2.651 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 79 GLY HA3 1 80 GLN H 3.300 . 3.500 2.370 2.190 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 80 GLN H 1 80 GLN HA 3.000 . 3.500 2.851 2.769 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 80 GLN H 1 81 ARG H 5.000 . 5.300 4.659 4.551 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 81 ARG H 1 81 ARG HA 2.900 . 3.500 2.961 2.864 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 80 GLN HB2 1 81 ARG H 4.000 . 5.300 4.044 3.544 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 80 GLN HB3 1 81 ARG H 2.900 . 3.500 2.869 2.094 3.508 0.008 12 0 "[ . 1 . 2 . 3]" 1
823 1 80 GLN QG 1 81 ARG H 5.000 . 5.300 3.360 1.972 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 81 ARG H 1 81 ARG HB3 3.500 . 5.300 3.311 2.377 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 81 ARG H 1 81 ARG HB2 2.900 . 3.500 2.544 2.158 3.608 0.108 16 0 "[ . 1 . 2 . 3]" 1
826 1 81 ARG H 1 81 ARG QG 3.900 . 5.300 3.248 1.815 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 80 GLN HA 1 81 ARG H 2.500 . 2.700 2.376 2.195 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 80 GLN HB3 1 82 THR H 3.100 . 3.500 3.015 2.449 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 80 GLN QG 1 82 THR H 5.300 . 6.500 4.171 2.539 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 81 ARG HA 1 82 THR H 3.500 . 5.300 3.502 3.114 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 82 THR H 1 82 THR MG 4.400 . 5.300 3.104 2.163 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 81 ARG HB3 1 82 THR H 4.000 . 5.300 3.446 2.329 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 82 THR H 1 89 LEU MD1 5.400 . 6.500 3.990 2.846 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 81 ARG QG 1 82 THR H 4.800 . 5.300 4.071 2.260 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 82 THR H 1 82 THR HB 3.700 . 5.300 3.765 3.502 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 81 ARG H 1 82 THR H 2.600 . 2.700 2.269 2.025 2.706 0.006 5 0 "[ . 1 . 2 . 3]" 1
837 1 81 ARG HB2 1 82 THR H 3.500 . 5.300 3.251 2.576 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 80 GLN HB2 1 82 THR H 4.200 . 5.300 4.549 3.377 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 82 THR HA 1 82 THR HB 2.600 . 2.700 2.559 2.332 2.774 0.074 7 0 "[ . 1 . 2 . 3]" 1
840 1 82 THR HA 1 88 GLY HA2 2.900 . 3.500 2.644 2.108 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 82 THR HA 1 89 LEU HG 2.800 . 3.500 2.849 2.115 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 82 THR HA 1 89 LEU HB2 4.000 . 5.300 4.035 3.071 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 82 THR HA 1 89 LEU MD1 4.900 . 5.300 3.407 2.588 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 82 THR HA 1 83 ASP H 2.700 . 3.500 2.385 2.199 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 82 THR HB 1 83 ASP H 2.800 . 3.500 2.724 2.160 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 83 ASP H 1 83 ASP HB3 3.300 . 3.500 3.090 2.679 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 83 ASP H 1 89 LEU HG 3.200 . 3.500 3.053 2.351 3.511 0.011 29 0 "[ . 1 . 2 . 3]" 1
848 1 82 THR MG 1 83 ASP H 4.500 . 5.300 3.635 3.013 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 83 ASP H 1 89 LEU MD1 4.800 . 5.300 3.135 2.132 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 83 ASP H 1 87 ARG H 2.800 . 3.500 2.953 2.110 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 83 ASP HA 1 83 ASP HB3 2.700 . 3.500 2.816 2.316 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 83 ASP HA 1 83 ASP HB2 2.900 . 3.500 2.731 2.403 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 83 ASP HA 1 89 LEU MD1 4.500 . 5.300 2.606 2.004 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 84 LYS H 1 84 LYS HG3 3.500 . 5.300 2.766 1.877 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 84 LYS H 1 84 LYS HG2 2.900 . 3.500 2.681 1.864 3.514 0.014 3 0 "[ . 1 . 2 . 3]" 1
856 1 84 LYS H 1 84 LYS HB3 3.500 . 5.300 3.361 2.651 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 84 LYS H 1 84 LYS HB2 2.900 . 3.500 2.879 2.155 3.623 0.123 7 0 "[ . 1 . 2 . 3]" 1
858 1 83 ASP HB2 1 84 LYS H 3.200 . 3.500 3.201 1.929 3.536 0.036 4 0 "[ . 1 . 2 . 3]" 1
859 1 83 ASP HB3 1 84 LYS H 3.600 . 5.300 2.339 1.872 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 83 ASP HA 1 84 LYS H 3.300 . 3.500 2.830 2.620 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 84 LYS H 1 84 LYS HA 2.800 . 3.500 2.936 2.878 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 84 LYS HA 1 84 LYS HB2 2.800 . 3.500 2.858 2.442 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 84 LYS HA 1 84 LYS HB3 2.900 . 3.500 2.450 2.361 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 85 TYR H 1 85 TYR HB2 2.900 . 3.500 2.382 2.187 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 85 TYR H 1 86 GLY H 2.600 . 2.700 2.420 1.875 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 84 LYS HA 1 85 TYR H 4.000 . 5.300 3.378 2.871 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 84 LYS HG3 1 85 TYR H 5.200 . 5.300 4.182 1.984 5.305 0.005 5 0 "[ . 1 . 2 . 3]" 1
868 1 84 LYS HG2 1 85 TYR H 5.000 . 5.300 4.180 1.910 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 84 LYS HB3 1 85 TYR H 5.400 . 6.500 4.189 3.282 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 85 TYR H 1 87 ARG H 3.500 . 5.300 3.369 2.833 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 85 TYR HB2 1 85 TYR QD 2.800 . 3.500 2.484 2.305 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 85 TYR HB3 1 85 TYR QD 2.900 . 3.500 2.453 2.302 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 85 TYR H 1 85 TYR QD 2.900 . 3.500 2.733 2.188 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 85 TYR QD 1 86 GLY H 5.000 . 5.300 4.600 4.231 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 86 GLY H 1 86 GLY HA2 2.700 . 3.500 2.370 2.346 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 86 GLY H 1 86 GLY HA3 3.000 . 3.500 2.922 2.857 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 85 TYR HA 1 86 GLY H 3.900 . 5.300 3.265 3.119 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 85 TYR HB3 1 86 GLY H 4.500 . 5.300 4.195 3.927 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 85 TYR HB2 1 86 GLY H 4.100 . 5.300 3.646 3.341 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 82 THR HB 1 86 GLY H 4.500 . 5.300 4.211 3.364 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 84 LYS HA 1 86 GLY H 4.600 . 5.300 3.566 3.327 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 87 ARG H 1 87 ARG HB3 4.000 . 5.300 3.615 2.607 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 86 GLY H 1 87 ARG H 2.800 . 3.500 2.448 2.264 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 86 GLY HA3 1 87 ARG H 3.900 . 5.300 3.456 3.256 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 86 GLY HA2 1 87 ARG H 3.800 . 5.300 3.069 2.780 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 87 ARG H 1 87 ARG HB2 3.500 . 5.300 2.591 2.114 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 87 ARG H 1 87 ARG QD 2.900 . 3.500 2.826 2.007 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 85 TYR HB3 1 87 ARG H 4.000 . 5.300 4.081 3.217 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 85 TYR HB2 1 87 ARG H 4.000 . 5.300 3.358 2.842 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 82 THR HB 1 87 ARG H 4.500 . 5.300 4.010 3.386 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 87 ARG H 1 87 ARG QG 4.000 . 5.300 2.708 1.888 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 82 THR MG 1 87 ARG H 6.000 . 6.500 4.495 3.230 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 35 ARG HB2 1 87 ARG HA 5.400 . 6.500 4.680 4.203 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 87 ARG HA 1 87 ARG QG 3.800 . 5.300 2.663 1.935 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 88 GLY H 1 88 GLY HA3 3.000 . 3.500 2.381 2.349 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 34 PHE HA 1 88 GLY H 3.100 . 3.500 2.500 2.001 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 87 ARG HA 1 88 GLY H 3.100 . 3.500 2.294 2.193 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 87 ARG HB2 1 88 GLY H 3.800 . 5.300 3.893 3.006 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 34 PHE HB3 1 88 GLY H 5.000 . 5.300 5.105 4.658 5.320 0.020 4 0 "[ . 1 . 2 . 3]" 1
900 1 87 ARG HG2 1 88 GLY H 4.300 . 5.300 4.803 4.119 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 82 THR MG 1 88 GLY H 5.300 . 6.500 4.205 3.304 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 88 GLY H 1 89 LEU H 5.000 . 5.300 4.400 4.052 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 35 ARG HB2 1 88 GLY H 5.400 . 6.500 4.479 3.772 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 35 ARG HB3 1 88 GLY H 5.100 . 5.300 4.752 3.992 5.301 0.001 2 0 "[ . 1 . 2 . 3]" 1
905 1 35 ARG H 1 88 GLY H 3.700 . 5.300 3.239 2.260 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 34 PHE H 1 88 GLY H 5.000 . 5.300 4.365 3.683 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 82 THR MG 1 88 GLY HA2 4.900 . 5.300 2.389 1.722 3.282 0.078 27 0 "[ . 1 . 2 . 3]" 1
908 1 82 THR HA 1 89 LEU H 3.200 . 3.500 2.545 1.947 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 88 GLY HA2 1 89 LEU H 3.500 . 5.300 2.237 2.187 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 88 GLY HA3 1 89 LEU H 3.600 . 5.300 3.312 2.893 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 89 LEU H 1 89 LEU HB2 3.000 . 3.500 2.592 2.285 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 89 LEU H 1 89 LEU HG 3.400 . 3.500 2.240 1.868 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 89 LEU H 1 89 LEU HB3 4.000 . 5.300 3.673 3.578 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 82 THR MG 1 89 LEU H 5.500 . 6.500 3.540 2.966 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 89 LEU H 1 90 ALA MB 5.800 . 6.500 4.272 3.720 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 76 PHE QD 1 89 LEU H 3.500 . 5.300 4.319 3.636 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 89 LEU HA 1 89 LEU HG 3.200 . 3.500 3.004 2.583 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 89 LEU HA 1 89 LEU HB3 3.000 . 3.500 2.436 2.382 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 89 LEU MD2 1 90 ALA H 5.400 . 6.500 3.877 3.480 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 37 LEU HG 1 90 ALA H 3.300 . 3.500 3.070 2.482 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 89 LEU HA 1 90 ALA H 2.600 . 2.700 2.215 2.192 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 37 LEU MD1 1 90 ALA H 5.100 . 5.300 3.159 2.663 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 89 LEU HG 1 90 ALA H 5.500 . 6.500 5.092 4.757 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 34 PHE QE 1 90 ALA H 5.500 . 6.500 5.642 5.053 6.059 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 36 LEU HA 1 90 ALA H 4.000 . 5.300 4.187 3.823 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 37 LEU HA 1 90 ALA H 3.600 . 5.300 4.349 4.029 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 37 LEU MD1 1 90 ALA HA 5.000 . 5.300 2.275 1.857 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 75 GLU H 1 91 TYR H 2.800 . 3.500 2.852 2.335 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 37 LEU HB3 1 91 TYR H 5.300 . 6.500 5.635 4.894 6.137 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 91 TYR H 1 91 TYR HB2 3.700 . 5.300 2.699 2.577 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 91 TYR H 1 91 TYR HB3 4.000 . 5.300 3.761 3.675 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 91 TYR H 1 91 TYR QE 5.400 . 6.500 4.297 3.866 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 91 TYR H 1 91 TYR HD2 3.900 . 5.300 3.389 2.152 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 91 TYR H 1 93 TYR QE 4.400 . 5.300 4.175 3.709 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 37 LEU MD1 1 91 TYR H 5.400 . 6.500 4.353 3.686 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 90 ALA MB 1 91 TYR H 4.200 . 5.300 2.055 1.842 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 75 GLU HB2 1 91 TYR H 5.000 . 5.300 4.779 4.263 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 90 ALA H 1 91 TYR H 4.000 . 5.300 4.365 4.330 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 90 ALA HA 1 91 TYR H 2.900 . 3.500 2.694 2.464 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 38 LEU MD1 1 91 TYR QE 4.400 . 5.300 2.234 1.846 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 37 LEU MD1 1 91 TYR QE 5.200 . 5.300 3.433 2.839 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 37 LEU MD2 1 91 TYR QE 5.300 . 6.500 4.194 3.667 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 91 TYR QE 1 121 HIS H 3.800 . 5.300 3.889 3.008 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 91 TYR QE 1 121 HIS HB2 3.000 . 3.500 3.031 2.122 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 91 TYR QE 1 125 LEU HG 4.500 . 5.300 5.061 4.618 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 37 LEU HB3 1 91 TYR QE 3.000 . 3.500 2.835 2.441 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 91 TYR QE 1 125 LEU MD1 4.900 . 5.300 3.072 2.643 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 91 TYR QE 1 125 LEU MD2 5.700 . 6.500 4.914 4.437 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 7 LEU MD1 1 91 TYR QE 5.300 . 6.500 4.675 3.816 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 38 LEU HG 1 91 TYR QE 2.900 . 3.500 3.000 2.111 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 77 ASP HB3 1 91 TYR QE 4.000 . 5.300 3.967 1.840 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 77 ASP HB2 1 91 TYR QE 2.900 . 3.500 2.920 1.880 3.529 0.029 22 0 "[ . 1 . 2 . 3]" 1
953 1 91 TYR QE 1 121 HIS HD2 3.500 . 5.300 3.392 2.429 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 77 ASP HA 1 91 TYR QE 3.500 . 5.300 3.443 2.680 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 90 ALA MB 1 92 ILE H 5.500 . 6.500 5.121 4.940 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 92 ILE H 1 92 ILE HG12 3.400 . 3.500 2.333 2.087 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 92 ILE H 1 92 ILE HG13 3.900 . 5.300 3.829 3.632 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 92 ILE H 1 92 ILE HB 2.600 . 2.700 2.652 2.480 2.738 0.038 6 0 "[ . 1 . 2 . 3]" 1
959 1 92 ILE H 1 100 ASN HD22 4.300 . 5.300 3.095 2.578 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 36 LEU MD2 1 92 ILE H 5.000 . 5.300 3.042 2.716 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 92 ILE HA 1 92 ILE HB 3.000 . 3.500 3.027 3.013 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 74 VAL HA 1 92 ILE HA 3.000 . 3.500 2.635 2.331 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 92 ILE HA 1 92 ILE HG12 2.800 . 3.500 3.271 3.160 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 92 ILE HA 1 92 ILE HG13 3.800 . 5.300 3.735 3.621 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 90 ALA MB 1 92 ILE MD 4.800 . 5.300 3.307 3.114 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 93 TYR H 1 93 TYR QD 2.900 . 3.500 2.970 2.316 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 73 GLU HA 1 93 TYR H 3.600 . 5.300 5.009 4.773 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 73 GLU QB 1 93 TYR H 3.500 . 5.300 4.083 3.638 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 92 ILE HA 1 93 TYR H 2.600 . 2.700 2.349 2.245 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 93 TYR H 1 93 TYR HB2 3.200 . 3.500 2.663 2.529 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 92 ILE MG 1 93 TYR H 4.400 . 5.300 2.029 1.835 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 92 ILE MD 1 93 TYR H 5.200 . 5.300 3.634 3.344 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 92 ILE HB 1 93 TYR H 4.500 . 5.300 3.690 3.429 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 93 TYR H 1 93 TYR HB3 3.700 . 5.300 3.801 3.711 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 93 TYR HA 1 99 VAL MG2 4.800 . 5.300 2.845 2.246 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 93 TYR HA 1 98 MET HA 2.600 . 3.500 2.383 1.916 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 93 TYR HA 1 93 TYR HB3 2.800 . 3.500 2.553 2.464 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 92 ILE MG 1 93 TYR QD 5.600 . 6.500 4.252 3.815 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 93 TYR QD 1 98 MET ME 5.700 . 6.500 4.514 3.566 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 93 TYR QD 1 98 MET HB2 3.500 . 5.300 3.788 3.099 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 93 TYR QD 1 98 MET HA 3.500 . 5.300 2.907 1.915 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 93 TYR QD 1 97 LYS HB3 5.500 . 6.500 5.768 5.151 6.214 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 93 TYR QD 1 96 GLY HA2 4.500 . 5.300 3.929 3.480 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 93 TYR QD 1 98 MET H 3.300 . 3.500 3.307 2.892 3.502 0.002 29 0 "[ . 1 . 2 . 3]" 1
985 1 93 TYR QD 1 97 LYS HA 4.500 . 5.300 3.908 3.381 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 92 ILE HA 1 93 TYR QD 3.500 . 5.300 3.150 2.668 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 93 TYR HA 1 93 TYR QD 3.500 . 5.300 2.944 2.427 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 93 TYR QD 1 94 ALA H 3.700 . 5.300 4.357 3.794 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 73 GLU QB 1 93 TYR QD 4.000 . 5.300 3.609 3.193 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 9 LYS HG2 1 93 TYR QD 4.700 . 5.300 4.312 3.084 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 91 TYR HB2 1 93 TYR QE 2.800 . 3.500 2.180 1.867 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 91 TYR HB3 1 93 TYR QE 3.000 . 3.500 3.318 3.037 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 73 GLU QB 1 93 TYR QE 5.500 . 6.500 5.196 4.606 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 93 TYR QE 1 98 MET HB2 2.800 . 3.500 2.843 1.983 3.540 0.040 7 0 "[ . 1 . 2 . 3]" 1
995 1 93 TYR QE 1 98 MET ME 5.100 . 5.300 2.937 1.830 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 75 GLU HB3 1 93 TYR QE 3.000 . 3.500 2.421 1.953 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 91 TYR HD2 1 93 TYR QE 4.400 . 5.300 4.350 3.176 5.491 0.191 18 0 "[ . 1 . 2 . 3]" 1
998 1 75 GLU HA 1 93 TYR QE 4.600 . 5.300 4.733 4.276 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 9 LYS HG2 1 93 TYR QE 4.200 . 5.300 4.176 3.491 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 94 ALA H 1 97 LYS H 3.000 . 3.500 3.217 2.581 3.510 0.010 12 0 "[ . 1 . 2 . 3]" 1
1001 1 94 ALA H 1 99 VAL MG2 4.600 . 5.300 2.192 1.838 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 92 ILE MG 1 94 ALA H 5.800 . 6.500 4.051 3.404 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 93 TYR HA 1 94 ALA H 2.600 . 3.500 2.210 2.181 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 93 TYR HB3 1 94 ALA H 4.000 . 5.300 3.640 3.231 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 93 TYR HB2 1 94 ALA H 4.900 . 5.300 4.422 4.197 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 94 ALA H 1 97 LYS HB3 5.000 . 5.300 4.969 4.511 5.307 0.007 23 0 "[ . 1 . 2 . 3]" 1
1007 1 94 ALA H 1 98 MET HA 3.500 . 5.300 3.836 3.170 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 65 MET ME 1 94 ALA H 4.500 . 5.300 3.579 2.521 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 66 VAL MG1 1 94 ALA HA 5.800 . 6.500 5.142 4.669 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 72 ILE MD 1 94 ALA HA 5.900 . 6.500 4.956 4.437 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 72 ILE MG 1 94 ALA HA 6.000 . 6.500 4.053 3.449 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 69 ALA MB 1 94 ALA HA 4.500 . 5.300 2.514 2.069 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 94 ALA H 1 95 ASP H 4.000 . 5.300 4.377 4.162 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 95 ASP H 1 96 GLY H 2.700 . 3.500 2.623 2.555 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 71 LYS H 1 95 ASP H 3.600 . 5.300 3.413 2.750 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 95 ASP H 1 97 LYS H 3.500 . 5.300 4.153 3.968 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 94 ALA HA 1 95 ASP H 2.600 . 3.500 2.197 2.186 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 94 ALA MB 1 95 ASP H 4.400 . 5.300 3.226 3.075 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 69 ALA MB 1 95 ASP H 4.600 . 5.300 2.333 1.843 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 71 LYS HB2 1 95 ASP H 3.600 . 5.300 3.296 2.054 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 71 LYS HB3 1 95 ASP H 4.200 . 5.300 4.448 3.485 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 95 ASP H 1 95 ASP HA 2.900 . 3.500 2.346 2.340 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 72 ILE HA 1 95 ASP H 3.700 . 5.300 4.008 3.304 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 95 ASP HA 1 95 ASP HB3 2.700 . 3.500 2.587 2.407 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 96 GLY H 1 97 LYS H 3.000 . 3.500 2.504 2.258 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 96 GLY H 1 96 GLY HA3 2.900 . 3.500 2.930 2.847 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 96 GLY H 1 96 GLY HA2 2.800 . 3.500 2.376 2.345 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 95 ASP HB2 1 96 GLY H 4.800 . 5.300 4.019 3.738 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 95 ASP HA 1 96 GLY H 3.000 . 3.500 3.054 2.833 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 94 ALA HA 1 96 GLY H 4.500 . 5.300 3.565 3.327 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 71 LYS H 1 96 GLY H 5.600 2.800 6.500 5.438 4.566 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 71 LYS HB2 1 96 GLY H 4.300 . 5.300 4.038 3.147 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 93 TYR QD 1 96 GLY H 5.000 . 5.300 4.908 4.542 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 95 ASP HB2 1 97 LYS H 3.400 . 3.500 3.561 3.156 4.156 0.656 2 4 "[*+* - 1 . 2 . 3]" 1
1035 1 97 LYS H 1 97 LYS HB2 2.700 . 3.500 2.585 2.219 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 97 LYS H 1 97 LYS HG3 2.800 . 3.500 3.006 1.939 3.508 0.008 13 0 "[ . 1 . 2 . 3]" 1
1037 1 97 LYS H 1 97 LYS HG2 3.900 . 5.300 3.927 2.383 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 96 GLY HA3 1 97 LYS H 2.900 . 3.500 3.358 3.093 3.515 0.015 1 0 "[ . 1 . 2 . 3]" 1
1039 1 96 GLY HA2 1 97 LYS H 3.100 . 3.500 3.201 2.951 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 94 ALA HA 1 97 LYS H 4.000 . 5.300 4.414 4.124 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 95 ASP HA 1 97 LYS H 3.800 . 5.300 4.432 4.174 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 93 TYR HA 1 97 LYS H 4.500 . 5.300 4.204 3.258 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 97 LYS H 1 97 LYS QE 4.200 . 5.300 4.425 2.943 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 97 LYS H 1 97 LYS HB3 4.000 . 5.300 3.729 3.465 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 97 LYS HA 1 97 LYS HB3 2.600 . 3.500 2.508 2.317 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 97 LYS HA 1 98 MET H 3.000 . 3.500 2.206 2.181 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 98 MET H 1 98 MET HB3 4.200 . 5.300 2.878 2.589 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 98 MET H 1 98 MET HB2 2.700 . 3.500 2.432 2.084 3.582 0.082 22 0 "[ . 1 . 2 . 3]" 1
1049 1 98 MET H 1 98 MET ME 5.400 . 6.500 4.275 3.721 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 97 LYS HB3 1 98 MET H 3.000 . 3.500 3.410 2.838 3.543 0.043 29 0 "[ . 1 . 2 . 3]" 1
1051 1 98 MET H 1 101 GLU H 5.000 . 5.300 5.128 4.801 5.320 0.020 5 0 "[ . 1 . 2 . 3]" 1
1052 1 97 LYS QG 1 98 MET H 5.000 . 5.300 4.137 3.606 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 93 TYR QE 1 98 MET H 3.600 . 5.300 3.682 3.122 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 98 MET HA 1 98 MET ME 5.600 . 6.500 4.062 3.781 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 98 MET HA 1 98 MET HB2 2.800 . 3.500 2.611 2.464 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 98 MET HA 1 99 VAL HB 4.400 . 5.300 4.637 4.465 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 98 MET HA 1 101 GLU HB3 5.200 . 6.500 4.944 4.529 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 98 MET HA 1 101 GLU HB2 5.600 . 6.500 5.516 4.755 6.262 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 99 VAL H 1 99 VAL HA 3.000 . 3.500 2.810 2.759 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 98 MET HA 1 99 VAL H 2.900 . 3.500 2.220 2.188 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 93 TYR HA 1 99 VAL H 3.200 . 3.500 2.376 1.996 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 99 VAL H 1 102 ALA H 5.000 . 5.300 4.807 4.669 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 98 MET H 1 99 VAL H 4.000 . 5.300 4.395 4.191 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 99 VAL H 1 100 ASN H 3.000 . 3.500 2.828 2.552 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 99 VAL H 1 101 GLU H 3.800 . 5.300 4.567 4.193 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 98 MET HB2 1 99 VAL H 4.800 . 5.300 4.496 3.915 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 98 MET HB3 1 99 VAL H 4.800 . 5.300 4.246 3.877 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 99 VAL H 1 99 VAL HB 3.000 . 3.500 2.601 2.388 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 99 VAL H 1 99 VAL MG2 4.000 . 5.300 2.098 1.848 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 92 ILE MG 1 99 VAL H 5.300 . 6.500 3.971 3.572 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 94 ALA MB 1 99 VAL H 6.000 . 6.500 4.052 3.843 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 65 MET ME 1 99 VAL HA 4.300 . 5.300 3.219 1.978 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 99 VAL HA 1 102 ALA H 4.000 . 5.300 3.409 3.212 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 99 VAL HA 1 99 VAL HB 2.600 . 3.500 3.031 3.021 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 99 VAL HA 1 102 ALA MB 4.400 . 5.300 2.359 1.959 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 99 VAL HA 1 100 ASN H 4.000 . 5.300 3.554 3.510 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 98 MET HA 1 100 ASN H 3.700 . 5.300 3.795 3.527 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 100 ASN H 1 102 ALA H 3.900 . 5.300 3.838 3.602 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 92 ILE H 1 100 ASN H 3.300 . 3.500 3.486 3.375 3.519 0.019 6 0 "[ . 1 . 2 . 3]" 1
1080 1 36 LEU MD1 1 100 ASN H 5.000 . 5.300 4.083 3.825 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 92 ILE HB 1 100 ASN H 4.000 . 5.300 3.787 3.365 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 36 LEU MD2 1 100 ASN H 5.000 . 5.300 3.870 3.417 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 99 VAL HB 1 100 ASN H 2.800 . 3.500 2.617 2.354 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 99 VAL MG2 1 100 ASN H 4.700 . 5.300 3.824 3.521 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 99 VAL MG1 1 100 ASN H 4.700 . 5.300 3.499 3.073 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 100 ASN H 1 100 ASN HB3 4.000 . 5.300 3.619 3.612 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 100 ASN H 1 100 ASN HB2 3.200 . 3.500 2.595 2.541 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 100 ASN H 1 100 ASN HA 2.900 . 3.500 2.845 2.782 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 100 ASN H 1 101 GLU H 3.000 . 3.500 2.853 2.673 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 98 MET HB2 1 100 ASN H 5.000 . 5.300 4.879 3.373 5.305 0.005 21 0 "[ . 1 . 2 . 3]" 1
1091 1 98 MET HB3 1 100 ASN H 4.000 . 5.300 4.121 3.492 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 100 ASN HA 1 100 ASN HB3 2.700 . 3.500 2.451 2.418 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 100 ASN HA 1 103 LEU QB 3.600 . 5.300 3.228 2.595 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 36 LEU HB3 1 100 ASN HD22 4.300 . 5.300 2.602 2.187 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 36 LEU HB2 1 100 ASN HD22 4.600 . 5.300 4.122 3.735 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 100 ASN HB3 1 100 ASN HD22 3.700 . 5.300 3.566 3.522 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 37 LEU HB3 1 100 ASN HD22 4.900 . 5.300 4.829 4.213 5.303 0.003 22 0 "[ . 1 . 2 . 3]" 1
1098 1 36 LEU MD2 1 100 ASN HD22 5.000 . 5.300 2.250 1.855 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 36 LEU MD1 1 100 ASN HD22 5.400 . 6.500 3.831 3.312 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 39 VAL MG1 1 100 ASN HD22 6.000 . 6.500 4.747 4.086 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 36 LEU HB3 1 100 ASN HD21 4.500 . 5.300 2.873 1.958 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 100 ASN HB3 1 100 ASN HD21 3.100 . 3.500 2.392 2.273 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 100 ASN HB2 1 100 ASN HD21 3.500 . 5.300 3.004 2.619 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 37 LEU HB3 1 100 ASN HD21 4.600 . 5.300 4.352 3.964 5.301 0.001 22 0 "[ . 1 . 2 . 3]" 1
1105 1 39 VAL MG1 1 100 ASN HD21 4.800 . 5.300 4.043 3.113 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 36 LEU MD2 1 100 ASN HD21 4.800 . 5.300 3.509 2.715 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 101 GLU H 1 102 ALA MB 5.900 . 6.500 4.297 4.115 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 101 GLU H 1 125 LEU MD1 6.000 . 6.500 5.059 4.510 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 101 GLU H 1 101 GLU HB2 2.800 . 3.500 2.510 2.200 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 98 MET ME 1 101 GLU H 5.700 . 6.500 3.963 2.551 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 101 GLU H 1 125 LEU MD2 4.400 . 5.300 3.456 3.020 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 101 GLU H 1 101 GLU HB3 3.100 . 3.500 2.619 2.377 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 100 ASN HB2 1 101 GLU H 3.200 . 3.500 2.318 2.019 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 100 ASN HB3 1 101 GLU H 3.800 . 5.300 3.478 3.171 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 100 ASN HA 1 101 GLU H 3.600 . 5.300 3.580 3.558 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 101 GLU H 1 101 GLU HA 3.000 . 3.500 2.856 2.773 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 101 GLU H 1 102 ALA H 2.700 . 3.500 2.653 2.513 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 101 GLU H 1 103 LEU H 3.900 . 5.300 4.621 4.232 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 101 GLU HA 1 125 LEU MD2 3.500 . 5.300 2.362 2.003 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 101 GLU HA 1 101 GLU HB2 2.500 . 2.700 2.506 2.388 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 101 GLU HA 1 104 VAL HB 2.700 . 3.500 2.689 2.128 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 101 GLU HA 1 104 VAL QG 4.600 . 5.300 2.977 2.495 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 101 GLU HA 1 101 GLU HB3 2.800 . 3.500 3.025 2.985 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 101 GLU HB2 1 102 ALA H 3.900 . 5.300 4.100 3.772 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 102 ALA H 1 125 LEU MD2 6.000 . 6.500 4.894 4.600 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 101 GLU HB3 1 102 ALA H 2.800 . 3.500 3.097 2.808 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 101 GLU HA 1 102 ALA H 3.000 . 3.500 3.456 3.386 3.528 0.028 21 0 "[ . 1 . 2 . 3]" 1
1128 1 102 ALA H 1 102 ALA HA 2.700 . 3.500 2.911 2.861 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 102 ALA H 1 103 LEU HG 4.900 . 5.300 4.918 4.480 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 61 PHE QE 1 102 ALA H 5.500 . 6.300 4.981 4.523 5.614 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 102 ALA H 1 104 VAL HB 4.100 . 5.300 4.997 4.452 5.303 0.003 20 0 "[ . 1 . 2 . 3]" 1
1132 1 99 VAL MG1 1 102 ALA H 5.600 . 6.500 4.330 4.138 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 102 ALA HA 1 105 ARG HB3 2.700 . 3.500 2.901 2.606 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 103 LEU H 1 103 LEU HA 2.800 . 3.500 2.856 2.766 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 103 LEU H 1 103 LEU QD 4.200 . 5.300 2.877 2.457 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 99 VAL HA 1 103 LEU H 3.900 . 5.300 4.151 3.829 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 103 LEU H 1 103 LEU QB 2.300 . 2.700 2.352 2.137 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 103 LEU H 1 103 LEU HG 2.600 . 3.500 2.565 2.221 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 102 ALA HA 1 103 LEU H 3.000 . 3.500 3.558 3.517 3.573 0.073 22 0 "[ . 1 . 2 . 3]" 1
1140 1 103 LEU H 1 104 VAL H 2.700 . 3.500 2.678 2.429 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 102 ALA H 1 103 LEU H 2.800 . 3.500 2.608 2.395 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 103 LEU H 1 104 VAL HB 5.000 . 5.300 4.924 4.682 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 101 GLU HB2 1 103 LEU H 5.900 . 6.500 6.277 5.840 6.514 0.014 22 0 "[ . 1 . 2 . 3]" 1
1144 1 102 ALA MB 1 103 LEU H 3.500 . 5.300 2.373 2.004 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 100 ASN HA 1 103 LEU H 3.600 . 5.300 3.642 3.230 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 103 LEU HA 1 103 LEU HG 2.700 . 3.500 2.438 2.187 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 103 LEU HA 1 106 GLN HB3 5.000 . 5.300 3.914 2.927 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 103 LEU HA 1 103 LEU MD2 3.900 . 5.300 2.557 2.053 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 103 LEU HA 1 108 LEU HB2 3.300 . 3.500 3.135 2.119 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 103 LEU HA 1 108 LEU MD1 4.500 . 5.300 3.496 2.741 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 103 LEU HA 1 106 GLN HB2 3.000 . 3.500 2.818 2.081 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 103 LEU QB 1 104 VAL H 2.700 . 3.500 2.691 2.364 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 103 LEU HG 1 104 VAL H 3.500 . 5.300 4.558 4.318 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 101 GLU HA 1 104 VAL H 3.500 . 5.300 3.593 3.395 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 104 VAL H 1 104 VAL HB 2.500 . 2.700 2.521 2.357 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 104 VAL H 1 104 VAL MG2 3.800 . 5.300 2.249 1.932 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 104 VAL H 1 104 VAL MG1 4.200 . 5.300 3.772 3.737 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 103 LEU HA 1 104 VAL H 3.600 . 5.300 3.530 3.446 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 104 VAL HA 1 104 VAL HB 3.000 . 3.500 3.032 3.025 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 100 ASN HA 1 104 VAL H 5.000 . 5.300 4.303 4.019 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 102 ALA HA 1 104 VAL H 4.500 . 5.300 4.339 3.845 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 103 LEU MD2 1 104 VAL H 5.500 . 6.500 4.848 4.658 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 39 VAL MG1 1 104 VAL H 5.000 . 5.300 4.077 3.722 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 102 ALA H 1 104 VAL H 3.500 . 5.300 3.849 3.474 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 104 VAL H 1 105 ARG H 2.700 . 3.500 2.538 2.303 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 104 VAL H 1 106 GLN H 4.500 . 5.300 3.888 3.587 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 39 VAL MG1 1 104 VAL HA 5.900 . 6.500 4.492 4.019 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 105 ARG H 1 106 GLN H 2.900 . 3.500 2.538 2.359 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 103 LEU H 1 105 ARG H 4.500 . 5.300 4.129 3.965 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 105 ARG H 1 107 GLY H 3.700 . 5.300 4.052 3.787 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 105 ARG H 1 105 ARG HB3 2.600 . 2.700 2.610 2.353 2.756 0.056 25 0 "[ . 1 . 2 . 3]" 1
1172 1 104 VAL HB 1 105 ARG H 2.600 . 2.700 2.680 2.524 2.734 0.034 22 0 "[ . 1 . 2 . 3]" 1
1173 1 104 VAL MG2 1 105 ARG H 4.600 . 5.300 3.848 3.665 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 105 ARG H 1 106 GLN HB2 5.000 . 5.300 4.469 4.221 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 105 ARG H 1 105 ARG HA 2.800 . 3.500 2.900 2.847 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 102 ALA HA 1 105 ARG H 3.000 . 3.500 3.441 3.151 3.549 0.049 22 0 "[ . 1 . 2 . 3]" 1
1177 1 101 GLU HA 1 105 ARG H 3.900 . 5.300 3.916 3.603 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 103 LEU QB 1 105 ARG H 5.000 . 5.300 4.714 4.431 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 105 ARG H 1 106 GLN HA 5.500 . 6.500 5.196 5.038 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 104 VAL HA 1 105 ARG H 4.000 . 5.300 3.543 3.526 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 105 ARG H 1 128 SER QB 5.000 . 5.300 3.805 2.967 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 106 GLN H 1 106 GLN HB3 3.600 . 5.300 3.380 2.964 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 105 ARG HB3 1 106 GLN H 3.700 . 5.300 3.006 2.358 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 106 GLN H 1 106 GLN HB2 2.700 . 3.500 2.274 2.095 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 106 GLN H 1 106 GLN QG 4.000 . 5.300 3.338 1.889 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 103 LEU HA 1 106 GLN H 3.900 . 5.300 3.496 3.141 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 105 ARG HA 1 106 GLN H 3.800 . 5.300 3.465 3.333 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 106 GLN H 1 108 LEU H 3.700 . 5.300 3.680 3.307 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 106 GLN HA 1 106 GLN HB3 2.900 . 3.500 2.748 2.440 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 105 ARG HB3 1 106 GLN HA 4.000 . 5.300 4.356 4.138 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 107 GLY H 1 109 ALA H 3.500 . 5.300 4.308 3.824 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 106 GLN H 1 107 GLY H 2.800 . 3.500 2.485 2.159 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 107 GLY H 1 108 LEU H 2.700 . 3.500 2.594 2.326 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 107 GLY H 1 107 GLY HA3 2.900 . 3.500 2.876 2.764 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 107 GLY H 1 107 GLY HA2 2.700 . 3.500 2.362 2.345 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 105 ARG HB3 1 107 GLY H 3.600 . 5.300 4.926 4.492 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 104 VAL MG1 1 107 GLY H 5.400 . 6.500 4.397 4.024 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 106 GLN HB2 1 107 GLY H 3.600 . 5.300 3.724 2.963 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 107 GLY H 1 132 ALA MB 4.300 . 5.300 2.992 2.314 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 107 GLY H 1 108 LEU HB2 5.000 . 5.300 4.810 4.418 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 107 GLY HA3 1 138 ASN HB2 3.300 . 3.500 2.977 2.126 3.518 0.018 3 0 "[ . 1 . 2 . 3]" 1
1202 1 108 LEU H 1 109 ALA H 2.500 . 2.700 2.507 2.206 2.717 0.017 14 0 "[ . 1 . 2 . 3]" 1
1203 1 108 LEU H 1 108 LEU HG 2.900 . 3.500 2.822 2.317 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 108 LEU H 1 108 LEU HB2 3.000 . 3.500 2.562 2.256 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 108 LEU H 1 108 LEU HB3 3.600 . 5.300 3.728 3.497 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 103 LEU HA 1 108 LEU H 3.800 . 5.300 3.978 3.442 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 107 GLY HA3 1 108 LEU H 3.500 . 5.300 3.518 3.429 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 108 LEU H 1 108 LEU MD1 5.000 . 5.300 3.822 3.407 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 108 LEU H 1 108 LEU MD2 4.600 . 5.300 3.849 3.232 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 108 LEU HA 1 108 LEU MD2 4.200 . 5.300 2.097 1.814 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 108 LEU HA 1 108 LEU HG 3.500 . 5.300 2.866 2.275 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 108 LEU HA 1 109 ALA H 3.200 . 3.500 3.049 2.879 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 104 VAL HA 1 109 ALA H 3.500 . 5.300 3.698 2.792 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 108 LEU HG 1 109 ALA H 4.300 . 5.300 4.728 4.482 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 109 ALA H 1 139 ILE MD 4.800 . 5.300 2.543 2.071 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 109 ALA H 1 139 ILE HG12 4.600 . 5.300 5.209 4.935 5.319 0.019 14 0 "[ . 1 . 2 . 3]" 1
1217 1 108 LEU MD2 1 109 ALA H 5.500 . 6.500 4.620 4.282 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 103 LEU HA 1 109 ALA H 5.400 . 6.500 5.641 5.032 6.173 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 108 LEU HB3 1 109 ALA H 5.400 . 6.500 4.424 4.133 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 41 THR MG 1 109 ALA HA 5.200 . 5.300 3.592 2.516 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 110 LYS H 1 139 ILE MD 6.000 . 6.500 4.592 3.413 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 110 LYS H 1 110 LYS QB 2.800 . 3.500 2.700 2.392 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 109 ALA MB 1 110 LYS H 4.000 . 5.300 2.188 1.840 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 109 ALA HA 1 110 LYS H 3.000 . 3.500 2.625 2.319 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 40 ASP HB2 1 110 LYS H 3.200 . 3.500 3.404 3.117 3.514 0.014 18 0 "[ . 1 . 2 . 3]" 1
1226 1 40 ASP HB3 1 110 LYS H 4.000 . 5.300 3.753 2.568 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 40 ASP H 1 110 LYS H 3.300 . 3.500 2.603 2.134 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 110 LYS HA 1 110 LYS QB 2.500 . 2.700 2.435 2.184 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 110 LYS H 1 111 VAL H 4.600 . 5.300 4.446 4.370 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 110 LYS HA 1 111 VAL H 2.800 . 3.500 2.403 2.257 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 110 LYS QB 1 111 VAL H 3.300 . 3.500 2.710 2.404 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 111 VAL H 1 111 VAL HB 2.600 . 3.500 2.495 2.325 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 111 VAL H 1 111 VAL MG2 4.000 . 5.300 2.289 1.897 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 111 VAL H 1 111 VAL MG1 4.000 . 5.300 3.758 3.723 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 39 VAL HA 1 112 ALA H 3.100 . 3.500 2.503 1.977 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 111 VAL HA 1 112 ALA H 3.200 . 3.500 2.200 2.185 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 111 VAL HB 1 112 ALA H 3.600 . 5.300 4.346 4.163 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 112 ALA H 1 112 ALA MB 3.000 . 3.500 2.161 2.047 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 39 VAL H 1 112 ALA H 4.500 . 5.300 3.309 3.095 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 111 VAL H 1 112 ALA H 4.600 . 5.300 4.472 4.313 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 112 ALA H 1 114 VAL MG2 5.400 . 6.500 5.028 4.215 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 39 VAL MG1 1 112 ALA H 5.000 . 5.300 4.181 3.548 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 39 VAL HB 1 112 ALA H 5.000 . 5.300 4.994 4.449 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 38 LEU HA 1 112 ALA H 3.600 . 5.300 3.100 2.857 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 112 ALA HA 1 113 TYR H 2.500 . 2.700 2.498 2.313 2.713 0.013 5 0 "[ . 1 . 2 . 3]" 1
1246 1 113 TYR H 1 113 TYR HA 3.000 . 3.500 2.827 2.764 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 113 TYR H 1 113 TYR HB3 2.900 . 3.500 3.392 2.884 3.589 0.089 8 0 "[ . 1 . 2 . 3]" 1
1248 1 113 TYR H 1 113 TYR HB2 2.900 . 3.500 2.238 2.091 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 113 TYR H 1 114 VAL MG2 6.000 . 6.500 5.030 3.849 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 113 TYR H 1 114 VAL H 4.800 . 5.300 4.617 3.918 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 112 ALA MB 1 113 TYR H 3.800 . 5.300 2.412 1.985 2.782 0.015 10 0 "[ . 1 . 2 . 3]" 1
1252 1 113 TYR H 1 113 TYR QD 5.000 . 5.300 3.118 2.350 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 113 TYR HA 1 113 TYR QD 2.900 . 3.500 2.578 1.879 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 113 TYR HA 1 113 TYR HE2 5.300 . 6.500 5.362 4.900 6.118 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 114 VAL H 1 114 VAL MG2 3.900 . 5.300 2.349 2.024 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 114 VAL H 1 114 VAL HB 2.600 . 2.700 2.561 2.372 2.732 0.032 9 0 "[ . 1 . 2 . 3]" 1
1257 1 113 TYR HB3 1 114 VAL H 4.000 . 5.300 3.371 2.877 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 113 TYR HB2 1 114 VAL H 4.600 . 5.300 4.305 3.656 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 113 TYR HA 1 114 VAL H 2.600 . 2.700 2.253 2.192 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 38 LEU MD2 1 114 VAL HA 4.100 . 5.300 2.482 1.816 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 114 VAL HA 1 114 VAL HB 3.000 . 3.500 3.031 3.017 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 111 VAL MG1 1 114 VAL MG2 6.000 . 6.500 2.678 1.902 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 114 VAL MG1 1 115 TYR H 4.300 . 5.300 2.697 1.954 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 114 VAL HB 1 115 TYR H 3.900 . 5.300 4.215 3.645 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 115 TYR H 1 115 TYR HB2 2.800 . 3.500 2.547 2.388 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 115 TYR H 1 115 TYR HB3 3.700 . 5.300 3.727 3.635 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 114 VAL HA 1 115 TYR H 2.400 . 2.700 2.214 2.189 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 114 VAL H 1 115 TYR H 4.600 . 5.300 4.437 4.118 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 115 TYR H 1 116 LYS H 4.500 . 5.300 4.140 3.383 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 38 LEU MD2 1 115 TYR H 5.000 . 5.300 3.261 2.372 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 115 TYR HA 1 115 TYR HB3 2.800 . 3.500 2.540 2.390 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 115 TYR HA 1 115 TYR HD1 4.000 . 5.300 2.577 1.865 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 115 TYR H 1 115 TYR HD2 5.300 . 6.500 3.874 2.799 5.441 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 113 TYR HB3 1 115 TYR HD1 5.000 . 5.300 4.868 2.286 6.283 0.983 8 3 "[* . + 1 -. 2 . 3]" 1
1275 1 113 TYR HB3 1 115 TYR HE1 3.700 . 5.300 4.020 1.870 5.684 0.384 8 0 "[ . 1 . 2 . 3]" 1
1276 1 115 TYR HA 1 116 LYS H 2.700 . 3.500 2.280 2.185 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 115 TYR HD2 1 116 LYS H 5.500 . 6.500 5.891 3.716 6.493 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 115 TYR HB3 1 116 LYS H 3.800 . 5.300 3.634 2.144 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 116 LYS H 1 116 LYS HG2 3.100 . 3.500 2.970 2.007 3.508 0.008 15 0 "[ . 1 . 2 . 3]" 1
1280 1 116 LYS H 1 116 LYS HG3 3.500 . 5.300 2.743 1.920 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 116 LYS H 1 116 LYS QB 3.600 . 5.300 2.417 2.186 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 116 LYS H 1 116 LYS QD 4.600 . 5.300 4.137 2.544 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 116 LYS H 1 116 LYS HA 3.000 . 3.500 2.830 2.738 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 114 VAL MG1 1 116 LYS H 5.700 . 6.500 3.879 2.732 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 118 ASN H 1 118 ASN HB2 2.600 . 3.500 2.208 2.104 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 116 LYS QB 1 118 ASN H 5.000 . 5.300 4.060 3.744 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 116 LYS HA 1 118 ASN H 2.800 . 3.500 2.470 1.969 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 117 PRO QD 1 118 ASN H 5.800 . 6.500 2.686 2.248 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 118 ASN HA 1 118 ASN HB2 2.700 . 3.500 2.967 2.887 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 37 LEU MD1 1 118 ASN HA 5.300 . 6.500 4.383 3.769 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 37 LEU MD2 1 118 ASN HA 5.700 . 6.500 4.978 4.316 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 89 LEU QD 1 118 ASN HD21 5.600 . 6.500 3.741 2.333 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 37 LEU MD1 1 118 ASN HD21 5.200 . 5.300 3.789 3.090 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 37 LEU MD2 1 118 ASN HD21 4.600 . 5.300 3.747 2.966 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 80 GLN HB3 1 118 ASN HD21 5.600 . 6.500 5.274 4.185 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 77 ASP HB2 1 118 ASN HD21 5.400 . 6.500 5.734 4.719 6.429 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 118 ASN HB2 1 118 ASN HD21 2.900 . 3.500 2.281 2.245 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 89 LEU MD1 1 118 ASN HD22 5.200 . 5.300 3.650 2.572 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 37 LEU MD1 1 118 ASN HD22 6.000 . 6.500 3.230 1.956 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 37 LEU MD2 1 118 ASN HD22 5.800 . 6.500 3.996 3.079 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 80 GLN HB3 1 118 ASN HD22 4.400 . 5.300 4.663 3.763 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 80 GLN QG 1 118 ASN HD22 5.500 . 6.500 5.189 3.863 5.808 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 118 ASN HB2 1 118 ASN HD22 3.400 . 3.500 3.522 3.510 3.553 0.053 8 0 "[ . 1 . 2 . 3]" 1
1304 1 119 ASN H 1 120 THR HA 3.900 . 5.300 4.148 3.980 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 116 LYS HA 1 119 ASN H 3.900 . 5.300 4.480 3.388 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 118 ASN HA 1 119 ASN H 2.700 . 3.500 2.320 2.205 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 119 ASN H 1 119 ASN HB3 3.200 . 3.500 3.391 3.115 3.544 0.044 14 0 "[ . 1 . 2 . 3]" 1
1308 1 118 ASN H 1 119 ASN H 3.800 . 5.300 4.152 3.535 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 114 VAL MG1 1 119 ASN HA 4.600 . 5.300 3.240 2.452 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 38 LEU MD2 1 119 ASN HA 4.600 . 5.300 3.636 2.349 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 38 LEU MD1 1 119 ASN HA 4.500 . 5.300 2.831 1.795 3.715 0.005 19 0 "[ . 1 . 2 . 3]" 1
1312 1 119 ASN HB3 1 119 ASN HD22 3.600 . 5.300 3.833 3.515 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 119 ASN HB2 1 119 ASN HD22 3.500 . 5.300 3.622 3.516 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 116 LYS HG2 1 119 ASN HD22 4.900 . 5.300 4.508 2.086 5.304 0.004 1 0 "[ . 1 . 2 . 3]" 1
1315 1 114 VAL QG 1 119 ASN HD22 4.500 . 5.300 2.648 1.818 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 119 ASN HB3 1 119 ASN HD21 3.300 . 3.500 2.996 2.244 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 119 ASN HB2 1 119 ASN HD21 3.200 . 3.500 2.499 2.244 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 114 VAL MG1 1 119 ASN HD21 5.400 . 6.500 2.528 1.824 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 116 LYS HG2 1 119 ASN HD21 4.700 . 5.300 3.706 2.023 5.286 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 114 VAL QG 1 119 ASN HD21 4.000 . 5.300 2.513 1.814 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 120 THR H 1 120 THR HA 3.000 . 3.500 2.909 2.811 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 77 ASP HA 1 120 THR H 6.000 . 6.500 5.936 5.151 6.498 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 119 ASN HA 1 120 THR H 3.600 . 5.300 2.886 2.538 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 120 THR H 1 121 HIS H 5.000 . 5.300 2.598 2.266 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 120 THR H 1 122 GLU H 4.500 . 5.300 4.085 3.317 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 119 ASN H 1 120 THR H 2.700 . 3.500 2.181 1.889 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 78 LYS HG3 1 120 THR H 5.700 . 6.500 5.872 5.038 6.497 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 7 LEU MD1 1 120 THR HB 5.600 . 6.500 4.499 3.380 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 121 HIS H 1 121 HIS HB2 3.400 . 3.500 2.452 2.289 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 120 THR HA 1 121 HIS H 3.100 . 3.500 3.542 3.475 3.572 0.072 1 0 "[ . 1 . 2 . 3]" 1
1331 1 121 HIS H 1 121 HIS HB3 4.200 . 5.300 3.665 3.573 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 120 THR HB 1 121 HIS H 3.700 . 5.300 2.817 1.868 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 120 THR MG 1 121 HIS H 5.300 . 6.500 3.001 1.790 3.912 0.010 12 0 "[ . 1 . 2 . 3]" 1
1334 1 38 LEU MD1 1 121 HIS H 4.600 . 5.300 3.272 2.507 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 121 HIS HA 1 121 HIS HB3 2.500 . 2.700 2.539 2.384 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 120 THR MG 1 121 HIS HA 4.600 . 5.300 3.744 3.279 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 121 HIS HA 1 124 LEU MD2 5.500 . 6.500 4.196 3.570 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 121 HIS HA 1 124 LEU HB3 2.700 . 3.500 3.224 2.870 3.508 0.008 27 0 "[ . 1 . 2 . 3]" 1
1339 1 120 THR MG 1 121 HIS HD2 5.500 . 6.500 3.652 2.328 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 121 HIS HB2 1 121 HIS HD2 3.200 . 3.500 2.852 2.751 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 98 MET ME 1 121 HIS HD2 4.100 . 5.300 3.317 1.858 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 122 GLU H 1 122 GLU HA 2.800 . 3.500 2.923 2.806 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 122 GLU H 1 122 GLU HB2 2.800 . 3.500 2.666 2.296 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 122 GLU H 1 122 GLU HB3 2.700 . 3.500 2.541 2.347 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 122 GLU H 1 125 LEU MD1 6.000 . 6.500 4.847 4.270 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 119 ASN HA 1 122 GLU H 3.800 . 5.300 3.788 2.972 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 121 HIS HA 1 122 GLU H 3.000 . 3.500 2.897 2.686 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 122 GLU H 1 123 GLN H 2.900 . 3.500 2.636 2.339 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 121 HIS H 1 122 GLU H 3.000 . 3.500 2.908 2.049 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 121 HIS HB3 1 122 GLU H 4.800 . 5.300 4.412 4.060 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 38 LEU MD1 1 122 GLU H 4.600 . 5.300 3.667 2.611 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 120 THR HA 1 122 GLU H 3.800 . 5.300 3.974 3.650 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 120 THR MG 1 122 GLU H 6.000 . 6.500 4.592 4.129 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 122 GLU HA 1 122 GLU HB2 2.500 . 2.700 2.490 2.386 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 122 GLU HA 1 122 GLU HB3 2.900 . 3.500 3.027 2.987 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 122 GLU HA 1 125 LEU HB2 3.000 . 3.500 2.997 2.612 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 122 GLU HB2 1 123 GLN H 3.700 . 5.300 3.683 3.383 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 123 GLN H 1 124 LEU H 2.800 . 3.500 2.754 2.463 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 123 GLN H 1 123 GLN HB3 3.800 . 5.300 3.596 3.501 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 123 GLN H 1 123 GLN HB2 2.500 . 2.700 2.425 2.174 2.714 0.014 15 0 "[ . 1 . 2 . 3]" 1
1361 1 123 GLN H 1 123 GLN HA 3.000 . 3.500 2.822 2.752 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 123 GLN H 1 125 LEU H 4.500 . 5.300 4.440 4.021 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 123 GLN H 1 124 LEU HB3 5.000 . 5.300 5.047 4.775 5.324 0.024 5 0 "[ . 1 . 2 . 3]" 1
1364 1 121 HIS HA 1 123 GLN H 3.800 . 5.300 4.287 3.678 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 122 GLU HA 1 123 GLN H 3.700 . 5.300 3.581 3.512 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 123 GLN HA 1 123 GLN HB2 2.600 . 3.500 3.015 2.957 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 123 GLN HA 1 123 GLN HB3 2.100 . 2.700 2.563 2.411 2.727 0.027 30 0 "[ . 1 . 2 . 3]" 1
1368 1 123 GLN HA 1 126 ARG HB2 2.700 . 3.500 2.546 2.112 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 123 GLN HB3 1 124 LEU H 4.700 . 5.300 3.633 3.196 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 123 GLN HB2 1 124 LEU H 2.800 . 3.500 2.820 2.518 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 124 LEU H 1 124 LEU HB3 2.500 . 2.700 2.564 2.361 2.776 0.076 5 0 "[ . 1 . 2 . 3]" 1
1372 1 123 GLN HA 1 124 LEU H 3.600 . 5.300 3.529 3.475 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 124 LEU H 1 124 LEU MD2 5.100 . 5.300 4.118 3.689 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 124 LEU H 1 124 LEU MD1 5.100 . 5.300 4.166 3.896 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 124 LEU H 1 124 LEU HG 3.900 . 5.300 4.429 4.360 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 121 HIS HA 1 124 LEU H 5.200 . 5.300 3.380 3.112 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 124 LEU H 1 125 LEU H 3.500 . 5.300 2.717 2.519 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 124 LEU HA 1 124 LEU HB3 3.000 . 3.500 3.030 3.008 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 124 LEU HA 1 127 LYS HB2 2.700 . 3.500 3.138 2.626 3.507 0.007 19 0 "[ . 1 . 2 . 3]" 1
1380 1 124 LEU HA 1 124 LEU MD1 4.100 . 5.300 2.902 2.002 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 124 LEU HA 1 124 LEU MD2 4.100 . 5.300 3.556 1.855 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 125 LEU H 1 125 LEU HA 3.000 . 3.500 2.876 2.833 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 125 LEU H 1 125 LEU HB2 2.600 . 3.500 2.433 2.268 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 125 LEU H 1 125 LEU HG 2.400 . 2.700 2.302 1.986 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 125 LEU H 1 125 LEU HB3 3.500 . 5.300 3.608 3.564 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 122 GLU HA 1 125 LEU H 3.400 . 3.500 3.452 3.284 3.521 0.021 2 0 "[ . 1 . 2 . 3]" 1
1387 1 125 LEU H 1 126 ARG H 3.000 . 3.500 2.582 2.480 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 124 LEU HA 1 125 LEU H 3.600 . 5.300 3.573 3.545 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 124 LEU HB3 1 125 LEU H 2.400 . 2.700 2.455 2.271 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 111 VAL MG2 1 125 LEU H 6.000 . 6.500 4.890 4.526 5.323 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 125 LEU HA 1 125 LEU MD2 4.300 . 5.300 2.046 1.834 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 125 LEU HA 1 125 LEU HG 3.500 . 5.300 2.849 2.527 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 126 ARG H 1 126 ARG HB3 3.600 . 5.300 3.063 2.491 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 125 LEU HA 1 126 ARG H 3.000 . 3.500 3.470 3.405 3.560 0.060 13 0 "[ . 1 . 2 . 3]" 1
1395 1 126 ARG H 1 127 LYS H 3.000 . 3.500 2.554 2.402 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 124 LEU H 1 126 ARG H 4.500 . 5.300 3.821 3.615 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 126 ARG H 1 126 ARG HA 2.900 . 3.500 2.899 2.802 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 125 LEU HG 1 126 ARG H 4.000 . 5.300 4.454 4.165 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 111 VAL MG2 1 126 ARG H 5.600 . 6.500 4.147 3.319 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 124 LEU HB3 1 126 ARG H 5.800 . 6.500 4.673 4.430 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 125 LEU HB2 1 126 ARG H 2.900 . 3.500 3.029 2.434 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 125 LEU HB3 1 126 ARG H 4.500 . 5.300 3.905 3.525 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 126 ARG H 1 126 ARG HB2 2.700 . 3.500 2.294 2.099 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 122 GLU HA 1 126 ARG H 4.200 . 5.300 4.392 3.830 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 124 LEU HA 1 126 ARG H 4.000 . 5.300 4.029 3.729 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 125 LEU MD1 1 126 ARG H 5.400 . 6.500 4.784 4.401 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 123 GLN HB2 1 126 ARG H 5.500 . 6.500 5.408 5.227 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 126 ARG HA 1 126 ARG HB2 2.800 . 3.500 2.754 2.467 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 126 ARG HA 1 129 GLU HB2 4.000 . 5.300 3.610 2.847 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 127 LYS H 1 128 SER H 2.700 . 3.500 2.656 2.498 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 125 LEU H 1 127 LYS H 4.500 . 5.300 4.328 3.945 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 127 LYS H 1 127 LYS HA 2.700 . 3.500 2.882 2.829 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 127 LYS H 1 127 LYS HB2 2.400 . 2.700 2.197 2.087 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 127 LYS H 1 129 GLU HB2 5.800 . 6.500 5.797 5.118 6.361 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 127 LYS H 1 127 LYS QD 4.700 . 5.300 3.919 2.475 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 126 ARG HB3 1 127 LYS H 4.000 . 5.300 2.875 2.305 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 127 LYS H 1 129 GLU H 3.500 . 5.300 4.127 3.771 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 126 ARG HA 1 127 LYS H 3.600 . 5.300 3.548 3.498 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 124 LEU HA 1 127 LYS H 4.000 . 5.300 3.512 3.204 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 124 LEU HG 1 127 LYS H 5.500 . 6.500 4.997 4.557 6.503 0.003 5 0 "[ . 1 . 2 . 3]" 1
1421 1 127 LYS HA 1 127 LYS HB2 2.900 . 3.500 2.919 2.751 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 127 LYS HA 1 127 LYS HG3 3.800 . 5.300 2.794 1.933 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 127 LYS HA 1 130 ALA MB 4.300 . 5.300 2.521 2.034 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 127 LYS HB2 1 128 SER H 2.700 . 3.500 2.914 2.442 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 127 LYS HB3 1 128 SER H 3.500 . 5.300 3.035 2.494 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 127 LYS HA 1 128 SER H 3.600 . 5.300 3.568 3.538 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 128 SER H 1 128 SER HB2 2.800 . 3.500 2.470 2.087 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 104 VAL MG1 1 128 SER H 5.500 . 6.500 4.310 3.681 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 127 LYS HG2 1 128 SER H 5.100 . 5.300 4.839 4.342 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 125 LEU MD2 1 128 SER H 5.400 . 6.500 4.833 4.636 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 124 LEU MD2 1 128 SER H 5.800 . 6.500 4.755 3.926 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 127 LYS HG3 1 128 SER H 4.300 . 5.300 4.815 4.441 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 125 LEU HA 1 128 SER H 3.000 . 3.500 3.481 3.384 3.518 0.018 18 0 "[ . 1 . 2 . 3]" 1
1434 1 128 SER H 1 129 GLU H 2.900 . 3.500 2.724 2.479 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 126 ARG H 1 128 SER H 4.500 . 5.300 4.128 3.742 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 128 SER H 1 130 ALA H 4.500 . 5.300 3.976 3.652 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 128 SER HA 1 131 GLN HB2 4.000 . 5.300 3.212 2.785 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 129 GLU H 1 129 GLU HB2 2.700 . 3.500 2.443 2.139 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 129 GLU H 1 129 GLU HB3 3.000 . 3.500 2.709 2.351 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 129 GLU H 1 131 GLN H 4.500 . 5.300 4.322 3.945 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 129 GLU H 1 130 ALA H 3.000 . 3.500 2.611 2.367 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 128 SER HA 1 129 GLU H 3.500 . 5.300 3.554 3.468 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 129 GLU H 1 130 ALA MB 5.400 . 6.500 4.253 4.083 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 125 LEU HA 1 129 GLU H 3.500 . 5.300 3.879 3.399 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 111 VAL MG2 1 129 GLU H 4.900 . 5.300 4.172 3.859 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 104 VAL MG1 1 129 GLU H 4.500 . 5.300 2.756 1.844 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 126 ARG HA 1 129 GLU H 4.000 . 5.300 3.644 3.393 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 129 GLU HA 1 129 GLU HB2 2.400 . 2.700 2.560 2.380 2.746 0.046 29 0 "[ . 1 . 2 . 3]" 1
1449 1 129 GLU HA 1 129 GLU HB3 2.800 . 3.500 3.012 2.941 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 129 GLU HA 1 132 ALA MB 3.900 . 5.300 2.740 2.428 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 130 ALA H 1 132 ALA H 4.500 . 5.300 4.130 3.802 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 130 ALA H 1 130 ALA HA 2.800 . 3.500 2.887 2.771 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 127 LYS HA 1 130 ALA H 3.500 . 5.300 3.440 3.125 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 128 SER HA 1 130 ALA H 4.000 . 5.300 4.136 3.741 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 129 GLU HB2 1 130 ALA H 3.800 . 5.300 3.901 3.479 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 129 GLU HB3 1 130 ALA H 3.100 . 3.500 2.903 2.086 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 127 LYS HB2 1 130 ALA H 5.500 . 6.500 5.530 5.234 6.081 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 126 ARG HA 1 130 ALA H 3.800 . 5.300 4.200 3.667 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 104 VAL MG1 1 130 ALA H 5.500 . 6.500 4.628 4.114 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 130 ALA HA 1 133 LYS HB2 3.300 . 3.500 2.892 2.357 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 131 GLN H 1 131 GLN HB2 2.700 . 3.500 2.216 2.082 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 131 GLN H 1 131 GLN HA 2.800 . 3.500 2.870 2.809 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 130 ALA HA 1 131 GLN H 3.500 . 5.300 3.557 3.509 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 128 SER HA 1 131 GLN H 3.500 . 5.300 3.520 3.325 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 130 ALA MB 1 131 GLN H 4.100 . 5.300 2.563 2.162 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 131 GLN H 1 131 GLN QG 4.000 . 5.300 3.552 2.092 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 131 GLN H 1 131 GLN HB3 3.000 . 3.500 3.164 2.355 3.591 0.091 7 0 "[ . 1 . 2 . 3]" 1
1468 1 127 LYS HA 1 131 GLN H 3.700 . 5.300 4.337 3.976 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 131 GLN H 1 133 LYS H 3.900 . 5.300 4.165 3.661 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 131 GLN H 1 132 ALA H 2.700 . 3.500 2.682 2.520 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 130 ALA H 1 131 GLN H 2.700 . 3.500 2.622 2.449 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 131 GLN HA 1 134 LYS HB3 2.200 . 2.700 2.514 2.159 2.708 0.008 3 0 "[ . 1 . 2 . 3]" 1
1473 1 132 ALA H 1 137 LEU MD1 5.500 . 6.300 4.568 3.750 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 132 ALA H 1 132 ALA HA 2.900 . 3.500 2.856 2.815 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 132 ALA H 1 133 LYS HA 5.300 . 6.500 5.365 5.343 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 128 SER HA 1 132 ALA H 4.600 . 5.300 4.312 3.941 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 128 SER HB2 1 132 ALA H 5.400 . 6.500 6.125 5.305 6.491 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 131 GLN QG 1 132 ALA H 4.000 . 5.300 4.192 3.127 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 131 GLN HB2 1 132 ALA H 3.600 . 5.300 3.236 2.284 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 131 GLN HB3 1 132 ALA H 3.000 . 3.500 2.844 2.325 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 130 ALA MB 1 132 ALA H 5.500 . 6.500 4.568 4.276 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 105 ARG HA 1 132 ALA H 4.800 . 5.300 4.276 3.445 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 132 ALA H 1 133 LYS H 2.500 . 2.700 2.714 2.691 2.746 0.046 22 0 "[ . 1 . 2 . 3]" 1
1484 1 133 LYS H 1 134 LYS H 2.500 . 2.700 2.554 2.415 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 133 LYS H 1 133 LYS HA 2.700 . 3.500 2.884 2.843 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 132 ALA MB 1 133 LYS H 3.900 . 5.300 2.478 2.307 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 133 LYS H 1 133 LYS HB2 2.700 . 3.500 2.261 2.089 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 133 LYS H 1 133 LYS HB3 3.600 . 5.300 3.427 3.031 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 133 LYS H 1 133 LYS QD 5.500 . 6.500 4.192 3.302 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 133 LYS H 1 133 LYS QG 3.900 . 5.300 2.979 1.852 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 130 ALA HA 1 133 LYS H 3.500 . 5.300 3.588 3.380 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 132 ALA HA 1 133 LYS H 3.600 . 5.300 3.558 3.490 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 130 ALA MB 1 133 LYS H 5.500 . 6.500 4.698 4.518 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 133 LYS H 1 140 TRP HB2 5.500 . 6.500 5.228 4.879 5.655 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 133 LYS HA 1 133 LYS QG 3.300 . 3.500 2.154 1.903 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 133 LYS HA 1 133 LYS QD 4.500 . 5.300 3.700 2.459 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 133 LYS HA 1 133 LYS HB2 2.800 . 3.500 2.937 2.719 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 133 LYS HA 1 133 LYS HB3 2.800 . 3.500 2.698 2.327 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 134 LYS H 1 135 GLU H 2.900 . 3.500 2.402 2.290 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 134 LYS H 1 136 LYS H 4.500 . 5.300 3.831 3.641 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 133 LYS HB2 1 134 LYS H 3.000 . 3.500 3.241 2.894 3.522 0.022 17 0 "[ . 1 . 2 . 3]" 1
1502 1 134 LYS H 1 134 LYS HB3 2.500 . 2.700 2.495 2.357 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 133 LYS HA 1 134 LYS H 3.700 . 5.300 3.474 3.391 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 134 LYS H 1 134 LYS HA 2.900 . 3.500 2.933 2.839 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 130 ALA HA 1 134 LYS H 3.500 . 5.300 4.291 3.946 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 133 LYS QG 1 134 LYS H 5.000 . 5.300 4.351 3.681 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 131 GLN H 1 134 LYS H 5.000 . 5.300 4.638 4.471 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 133 LYS HB3 1 134 LYS H 3.900 . 5.300 3.567 2.750 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 132 ALA MB 1 134 LYS H 5.500 . 6.500 4.254 4.043 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 134 LYS HA 1 134 LYS HB3 2.700 . 3.500 3.030 3.019 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 135 GLU H 1 135 GLU HB2 2.700 . 3.500 2.442 2.298 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 135 GLU H 1 135 GLU HB3 3.600 . 5.300 3.658 3.536 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 135 GLU H 1 135 GLU HG2 3.500 . 5.300 3.743 2.645 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 135 GLU H 1 135 GLU HG3 2.800 . 3.500 3.049 2.372 3.503 0.003 2 0 "[ . 1 . 2 . 3]" 1
1515 1 135 GLU H 1 137 LEU HG 4.000 . 5.300 4.248 3.523 5.303 0.003 7 0 "[ . 1 . 2 . 3]" 1
1516 1 134 LYS HA 1 135 GLU H 2.700 . 3.500 3.441 3.327 3.539 0.039 24 0 "[ . 1 . 2 . 3]" 1
1517 1 135 GLU H 1 135 GLU HA 2.800 . 3.500 2.977 2.908 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 134 LYS HB3 1 135 GLU H 2.600 . 3.500 3.158 2.723 3.506 0.006 29 0 "[ . 1 . 2 . 3]" 1
1519 1 135 GLU H 1 136 LYS H 2.400 . 2.700 2.150 1.978 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 135 GLU H 1 137 LEU H 4.500 . 5.300 3.983 3.819 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 135 GLU H 1 137 LEU HB3 5.500 . 6.500 6.547 6.464 6.582 0.082 4 0 "[ . 1 . 2 . 3]" 1
1522 1 132 ALA HA 1 135 GLU H 3.600 . 5.300 3.382 3.161 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 135 GLU H 1 136 LYS HA 4.100 . 5.300 4.470 4.309 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 133 LYS H 1 135 GLU H 3.600 . 5.300 4.022 3.797 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 135 GLU HA 1 135 GLU HB3 2.500 . 2.700 2.543 2.405 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 136 LYS H 1 137 LEU H 2.300 . 2.700 2.740 2.710 2.769 0.069 26 0 "[ . 1 . 2 . 3]" 1
1527 1 136 LYS H 1 136 LYS QG 2.700 . 3.500 2.561 2.376 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 135 GLU HA 1 136 LYS H 3.000 . 3.500 3.402 3.363 3.518 0.018 6 0 "[ . 1 . 2 . 3]" 1
1529 1 134 LYS HA 1 136 LYS H 3.700 . 5.300 4.086 3.908 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 133 LYS HA 1 136 LYS H 3.500 . 5.300 3.378 3.057 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 136 LYS H 1 136 LYS HB3 4.100 . 5.300 4.062 3.986 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 136 LYS H 1 136 LYS HB2 3.700 . 5.300 3.709 3.375 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 136 LYS H 1 136 LYS HA 2.400 . 2.700 2.350 2.342 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 132 ALA HA 1 136 LYS H 4.100 . 5.300 4.385 4.227 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 136 LYS H 1 140 TRP HB3 3.300 . 3.500 3.255 3.030 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 136 LYS H 1 140 TRP HB2 3.500 . 5.300 3.054 2.804 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 135 GLU HB2 1 136 LYS H 3.100 . 3.500 3.312 2.916 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 136 LYS HA 1 136 LYS HB3 2.600 . 2.700 2.404 2.324 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 137 LEU H 1 137 LEU HB3 3.500 . 5.300 3.586 3.364 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 137 LEU H 1 137 LEU HB2 2.600 . 3.500 2.523 2.154 3.531 0.031 21 0 "[ . 1 . 2 . 3]" 1
1541 1 137 LEU H 1 137 LEU HG 2.600 . 3.500 2.575 1.862 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 137 LEU H 1 137 LEU MD2 4.600 . 5.300 3.664 2.768 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 136 LYS HA 1 137 LEU H 2.800 . 3.500 2.672 2.580 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 137 LEU H 1 137 LEU HA 2.900 . 3.500 2.960 2.931 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 132 ALA HA 1 137 LEU H 4.700 . 5.300 3.904 3.587 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 137 LEU H 1 137 LEU MD1 5.000 . 5.300 3.501 1.837 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 137 LEU H 1 140 TRP HB3 3.700 . 5.300 3.476 3.231 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 137 LEU H 1 140 TRP HD1 . . 3.500 2.618 2.187 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 137 LEU H 1 141 SER H 3.800 . 5.300 4.136 3.572 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 137 LEU H 1 140 TRP H 4.000 . 5.300 3.834 3.493 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 135 GLU HB3 1 137 LEU H 4.100 . 5.300 4.379 3.692 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 137 LEU H 1 140 TRP HB2 3.400 . 3.500 1.940 1.844 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 136 LYS HB2 1 137 LEU H 4.500 . 5.300 4.305 4.240 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
1554 1 133 LYS HA 1 137 LEU H 3.900 . 5.300 4.143 3.723 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
1555 1 137 LEU HA 1 137 LEU HG 3.100 . 3.500 2.865 2.231 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 137 LEU HA 1 137 LEU HB3 2.500 . 2.700 2.505 2.281 2.729 0.029 23 0 "[ . 1 . 2 . 3]" 1
1557 1 137 LEU HA 1 137 LEU MD2 4.000 . 5.300 2.274 1.837 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 137 LEU HA 1 138 ASN H 2.500 . 2.700 2.212 2.153 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
1559 1 137 LEU H 1 138 ASN H 3.500 . 5.300 4.526 4.400 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 137 LEU HG 1 138 ASN H 4.700 . 5.300 4.831 4.274 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 138 ASN H 1 138 ASN HA 2.700 . 3.500 2.346 2.331 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 138 ASN H 1 138 ASN HB2 3.700 . 5.300 3.414 3.204 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 137 LEU HB3 1 138 ASN H 3.400 . 3.500 3.327 3.042 3.559 0.059 29 0 "[ . 1 . 2 . 3]" 1
1564 1 137 LEU HB2 1 138 ASN H 4.500 . 5.300 4.065 2.316 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 137 LEU MD1 1 138 ASN H 5.500 . 6.500 4.954 3.581 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 137 LEU MD2 1 138 ASN H 4.500 . 5.300 3.457 2.627 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 138 ASN HA 1 138 ASN HB2 2.700 . 3.500 3.023 2.998 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 108 LEU MD2 1 138 ASN HA 5.700 . 6.500 4.258 3.870 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 106 GLN HB3 1 138 ASN HD22 4.300 . 5.300 4.377 2.885 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
1570 1 138 ASN HB2 1 138 ASN HD22 3.500 . 5.300 3.586 3.515 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 108 LEU HG 1 138 ASN HD22 3.500 . 5.300 3.896 3.070 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 137 LEU HB3 1 138 ASN HD22 4.200 . 5.300 3.920 3.135 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
1573 1 108 LEU MD1 1 138 ASN HD22 5.300 . 6.500 3.891 2.748 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 108 LEU MD2 1 138 ASN HD22 4.900 . 5.300 3.298 2.140 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
1575 1 137 LEU MD1 1 138 ASN HD22 5.800 . 6.500 4.954 3.192 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 106 GLN HB3 1 138 ASN HD21 3.900 . 5.300 4.538 3.440 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
1577 1 138 ASN HB2 1 138 ASN HD21 3.200 . 3.500 2.433 2.263 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
1578 1 108 LEU HG 1 138 ASN HD21 3.500 . 5.300 3.809 2.065 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 108 LEU MD1 1 138 ASN HD21 5.300 . 6.500 4.495 2.603 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 137 LEU HB3 1 138 ASN HD21 3.500 . 5.300 2.743 2.146 5.308 0.008 14 0 "[ . 1 . 2 . 3]" 1
1581 1 108 LEU MD2 1 138 ASN HD21 5.100 . 5.300 3.513 2.515 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 139 ILE H 1 139 ILE HA 3.000 . 3.500 2.833 2.772 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 139 ILE H 1 139 ILE HB 2.800 . 3.500 2.654 2.429 3.557 0.057 21 0 "[ . 1 . 2 . 3]" 1
1584 1 139 ILE H 1 139 ILE QG 2.800 . 3.500 1.986 1.800 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 139 ILE H 1 139 ILE MD 4.500 . 5.300 3.056 2.071 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
1586 1 138 ASN HB2 1 139 ILE H 2.800 . 3.500 2.031 1.832 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 138 ASN HB3 1 139 ILE H 2.700 . 3.500 2.135 1.851 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 138 ASN HA 1 139 ILE H 3.700 . 5.300 3.423 3.204 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 108 LEU MD2 1 139 ILE H 5.100 . 5.300 3.790 3.168 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 139 ILE HA 1 139 ILE QG 2.700 . 3.500 2.474 2.236 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 139 ILE HA 1 139 ILE HB 2.900 . 3.500 3.014 2.613 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 139 ILE HB 1 139 ILE MD 3.400 . 3.500 2.175 1.896 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 139 ILE MG 1 140 TRP H 5.200 . 5.300 3.494 2.902 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 139 ILE HB 1 140 TRP H 3.300 . 3.500 2.553 2.246 3.526 0.026 21 0 "[ . 1 . 2 . 3]" 1
1595 1 140 TRP H 1 140 TRP HB3 3.600 . 5.300 3.614 3.583 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
1596 1 140 TRP H 1 140 TRP HB2 3.000 . 3.500 2.701 2.565 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 140 TRP H 1 140 TRP HE3 3.700 . 5.300 3.958 3.687 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 139 ILE QG 1 140 TRP H 3.500 . 5.300 3.909 1.932 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 139 ILE MD 1 140 TRP H 6.000 . 6.500 4.049 3.233 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 139 ILE HA 1 140 TRP H 3.900 . 5.300 3.555 3.460 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 140 TRP H 1 140 TRP HD1 . . 3.500 3.273 2.968 3.516 0.016 12 0 "[ . 1 . 2 . 3]" 1
1602 1 140 TRP H 1 141 SER HA 3.700 . 5.300 5.157 4.828 5.338 0.038 5 0 "[ . 1 . 2 . 3]" 1
1603 1 139 ILE H 1 140 TRP H 3.000 . 3.500 2.818 2.559 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
1604 1 140 TRP HA 1 140 TRP HB3 2.900 . 3.500 2.384 2.352 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 137 LEU HB2 1 140 TRP HD1 3.500 . 5.300 3.015 2.085 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 132 ALA H 1 140 TRP HD1 5.500 . 6.500 4.979 4.571 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 133 LYS H 1 140 TRP HD1 3.600 . 5.300 3.882 3.387 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 107 GLY HA2 1 140 TRP HD1 2.900 . 3.500 3.430 3.038 3.525 0.025 5 0 "[ . 1 . 2 . 3]" 1
1609 1 137 LEU MD1 1 140 TRP HD1 5.000 . 5.300 3.876 1.754 4.323 0.046 21 0 "[ . 1 . 2 . 3]" 1
1610 1 107 GLY HA3 1 140 TRP HD1 2.900 . 3.500 3.086 2.379 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1611 1 140 TRP HB3 1 140 TRP HD1 3.800 . 5.300 3.515 3.425 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 133 LYS HA 1 140 TRP HD1 3.400 . 3.500 3.285 2.897 3.504 0.004 7 0 "[ . 1 . 2 . 3]" 1
1613 1 132 ALA HA 1 140 TRP HD1 4.500 . 5.300 3.388 3.070 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
1614 1 132 ALA MB 1 140 TRP HD1 4.300 . 5.300 2.042 1.806 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
1615 1 140 TRP HB2 1 140 TRP HD1 2.900 . 3.500 2.545 2.527 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 140 TRP HA 1 140 TRP HE3 2.700 . 3.500 2.067 1.864 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 133 LYS QD 1 140 TRP HE3 3.500 . 5.300 3.784 2.591 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 133 LYS HA 1 140 TRP HE3 4.000 . 5.300 3.979 3.539 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
1619 1 140 TRP HB3 1 140 TRP HE3 3.000 . 3.500 3.136 2.983 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
1620 1 139 ILE MG 1 140 TRP HE3 5.800 . 6.500 3.496 2.737 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
1621 1 129 GLU HA 1 140 TRP HZ2 4.400 . 5.300 4.629 3.956 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
1622 1 110 LYS HG2 1 140 TRP HZ2 3.500 . 5.300 3.248 2.263 5.315 0.015 5 0 "[ . 1 . 2 . 3]" 1
1623 1 110 LYS QB 1 140 TRP HZ2 5.000 . 5.300 4.264 2.884 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 133 LYS QD 1 140 TRP HZ2 4.700 . 5.300 3.912 2.765 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 110 LYS HA 1 140 TRP HZ2 3.600 . 5.300 3.378 2.719 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 110 LYS QB 1 140 TRP HH2 5.400 . 6.500 3.919 2.244 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
1627 1 140 TRP H 1 141 SER H 2.400 . 2.700 2.610 2.174 2.708 0.008 21 0 "[ . 1 . 2 . 3]" 1
1628 1 141 SER H 1 141 SER HA 2.900 . 3.500 2.915 2.831 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
1629 1 139 ILE HA 1 141 SER H 4.500 . 5.300 3.769 3.386 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1630 1 140 TRP HA 1 141 SER H 5.000 . 5.300 3.376 3.170 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
1631 1 140 TRP HB2 1 141 SER H 3.800 . 5.300 3.319 2.684 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
1632 1 139 ILE HB 1 141 SER H 5.500 . 6.500 4.632 4.388 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
1633 1 139 ILE H 1 141 SER H 5.500 . 6.500 3.926 3.713 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1634 1 141 SER H 1 141 SER HB3 2.600 . 2.700 2.499 2.153 2.728 0.028 14 0 "[ . 1 . 2 . 3]" 1
1635 1 142 GLU H 1 142 GLU HB2 2.800 . 3.500 2.542 2.184 3.593 0.093 3 0 "[ . 1 . 2 . 3]" 1
1636 1 142 GLU H 1 142 GLU HB3 3.500 . 5.300 3.561 2.727 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
1637 1 142 GLU H 1 142 GLU QG 3.100 . 3.500 2.524 1.826 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
1638 1 141 SER QB 1 142 GLU H 3.600 . 5.300 3.456 1.859 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 141 SER HA 1 142 GLU H 3.400 . 3.500 3.137 2.519 3.568 0.068 11 0 "[ . 1 . 2 . 3]" 1
1640 1 142 GLU H 1 143 ASP HA 5.000 . 5.300 5.031 4.674 5.341 0.041 5 0 "[ . 1 . 2 . 3]" 1
1641 1 141 SER H 1 142 GLU H 2.900 . 3.500 2.939 2.356 3.531 0.031 15 0 "[ . 1 . 2 . 3]" 1
1642 1 142 GLU HA 1 142 GLU HB3 3.000 . 3.500 2.514 2.301 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1643 1 142 GLU HB2 1 143 ASP H 3.400 . 3.500 2.960 1.946 3.547 0.047 3 0 "[ . 1 . 2 . 3]" 1
1644 1 142 GLU H 1 143 ASP H 3.200 . 3.500 2.444 1.973 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 143 ASP H 1 143 ASP HB2 2.900 . 3.500 2.560 2.089 3.586 0.086 2 0 "[ . 1 . 2 . 3]" 1
1646 1 143 ASP H 1 143 ASP HB3 3.100 . 3.500 2.969 2.408 3.529 0.029 6 0 "[ . 1 . 2 . 3]" 1
1647 1 142 GLU HB3 1 143 ASP H 3.600 . 5.300 3.799 2.821 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 142 GLU HA 1 143 ASP H 3.000 . 3.500 3.474 3.364 3.570 0.070 15 0 "[ . 1 . 2 . 3]" 1
1649 1 141 SER HA 1 143 ASP H 3.500 . 5.300 4.024 3.039 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 112
_Distance_constraint_stats_list.Viol_count 282
_Distance_constraint_stats_list.Viol_total 86.940
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0103
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 GLU 0.041 0.009 1 0 "[ . 1 . 2 . 3]"
1 12 ALA 0.071 0.017 18 0 "[ . 1 . 2 . 3]"
1 13 THR 0.448 0.048 8 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.046 0.013 3 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.053 0.030 12 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.033 0.018 20 0 "[ . 1 . 2 . 3]"
1 22 THR 0.053 0.030 12 0 "[ . 1 . 2 . 3]"
1 23 VAL 0.026 0.018 16 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.046 0.013 3 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.101 0.017 21 0 "[ . 1 . 2 . 3]"
1 26 MET 0.448 0.048 8 0 "[ . 1 . 2 . 3]"
1 27 TYR 0.014 0.005 14 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.014 0.005 14 0 "[ . 1 . 2 . 3]"
1 32 MET 0.101 0.017 21 0 "[ . 1 . 2 . 3]"
1 33 THR 0.004 0.002 8 0 "[ . 1 . 2 . 3]"
1 34 PHE 0.026 0.018 16 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.025 0.012 24 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.033 0.018 20 0 "[ . 1 . 2 . 3]"
1 37 LEU 0.170 0.035 26 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.335 0.039 11 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.142 0.032 8 0 "[ . 1 . 2 . 3]"
1 57 GLU 0.089 0.031 25 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.077 0.042 19 0 "[ . 1 . 2 . 3]"
1 59 SER 0.031 0.017 4 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.099 0.031 25 0 "[ . 1 . 2 . 3]"
1 62 THR 0.205 0.042 19 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.136 0.019 10 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 MET 0.014 0.006 25 0 "[ . 1 . 2 . 3]"
1 66 VAL 0.128 0.019 7 0 "[ . 1 . 2 . 3]"
1 67 GLU 0.105 0.019 10 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.004 0.004 15 0 "[ . 1 . 2 . 3]"
1 72 ILE 0.071 0.017 18 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.024 0.014 24 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.041 0.009 1 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.044 0.017 9 0 "[ . 1 . 2 . 3]"
1 81 ARG 0.001 0.001 3 0 "[ . 1 . 2 . 3]"
1 83 ASP 0.032 0.011 29 0 "[ . 1 . 2 . 3]"
1 87 ARG 0.032 0.011 29 0 "[ . 1 . 2 . 3]"
1 88 GLY 0.029 0.012 24 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.001 0.001 3 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.170 0.035 26 0 "[ . 1 . 2 . 3]"
1 91 TYR 0.044 0.017 9 0 "[ . 1 . 2 . 3]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 93 TYR 0.024 0.014 24 0 "[ . 1 . 2 . 3]"
1 94 ALA 0.010 0.005 2 0 "[ . 1 . 2 . 3]"
1 97 LYS 0.010 0.005 2 0 "[ . 1 . 2 . 3]"
1 98 MET 0.027 0.019 20 0 "[ . 1 . 2 . 3]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 100 ASN 0.041 0.021 5 0 "[ . 1 . 2 . 3]"
1 101 GLU 0.005 0.005 28 0 "[ . 1 . 2 . 3]"
1 102 ALA 0.031 0.019 20 0 "[ . 1 . 2 . 3]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.041 0.021 5 0 "[ . 1 . 2 . 3]"
1 105 ARG 0.005 0.005 28 0 "[ . 1 . 2 . 3]"
1 106 GLN 0.004 0.004 1 0 "[ . 1 . 2 . 3]"
1 110 LYS 0.142 0.032 8 0 "[ . 1 . 2 . 3]"
1 112 ALA 0.335 0.039 11 0 "[ . 1 . 2 . 3]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.111 0.024 18 0 "[ . 1 . 2 . 3]"
1 124 LEU 0.124 0.016 13 0 "[ . 1 . 2 . 3]"
1 125 LEU 0.004 0.004 2 0 "[ . 1 . 2 . 3]"
1 126 ARG 0.045 0.009 17 0 "[ . 1 . 2 . 3]"
1 127 LYS 0.149 0.024 18 0 "[ . 1 . 2 . 3]"
1 128 SER 0.178 0.016 13 0 "[ . 1 . 2 . 3]"
1 129 GLU 0.004 0.004 2 0 "[ . 1 . 2 . 3]"
1 130 ALA 0.066 0.010 23 0 "[ . 1 . 2 . 3]"
1 131 GLN 0.216 0.028 23 0 "[ . 1 . 2 . 3]"
1 132 ALA 0.235 0.026 9 0 "[ . 1 . 2 . 3]"
1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 134 LYS 0.021 0.010 23 0 "[ . 1 . 2 . 3]"
1 135 GLU 0.179 0.028 23 0 "[ . 1 . 2 . 3]"
1 136 LYS 0.181 0.026 9 0 "[ . 1 . 2 . 3]"
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 12 ALA H 1 72 ILE O 1.900 . 2.300 2.233 2.106 2.317 0.017 18 0 "[ . 1 . 2 . 3]" 2
2 1 13 THR O 1 26 MET H 1.900 . 2.300 2.133 2.085 2.244 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 13 THR H 1 26 MET O 1.900 . 2.300 2.299 2.149 2.348 0.048 8 0 "[ . 1 . 2 . 3]" 2
4 1 23 VAL H 1 34 PHE O 1.900 . 2.300 2.197 2.090 2.318 0.018 16 0 "[ . 1 . 2 . 3]" 2
5 1 25 LEU H 1 32 MET O 1.900 . 2.300 2.216 2.109 2.316 0.016 20 0 "[ . 1 . 2 . 3]" 2
6 1 27 TYR H 1 30 GLN O 1.900 . 2.300 2.126 2.062 2.305 0.005 14 0 "[ . 1 . 2 . 3]" 2
7 1 27 TYR O 1 30 GLN H 1.900 . 2.300 2.176 2.091 2.304 0.004 24 0 "[ . 1 . 2 . 3]" 2
8 1 25 LEU O 1 32 MET H 1.900 . 2.300 2.251 2.101 2.317 0.017 21 0 "[ . 1 . 2 . 3]" 2
9 1 23 VAL O 1 34 PHE H 1.900 . 2.300 2.159 2.094 2.303 0.003 24 0 "[ . 1 . 2 . 3]" 2
10 1 35 ARG H 1 88 GLY O 1.900 . 2.300 2.201 2.088 2.312 0.012 24 0 "[ . 1 . 2 . 3]" 2
11 1 38 LEU O 1 112 ALA H 1.900 . 2.300 2.298 2.190 2.339 0.039 11 0 "[ . 1 . 2 . 3]" 2
12 1 40 ASP H 1 110 LYS O 1.900 . 2.300 2.246 2.105 2.329 0.029 9 0 "[ . 1 . 2 . 3]" 2
13 1 40 ASP O 1 110 LYS H 1.900 . 2.300 2.203 2.095 2.332 0.032 8 0 "[ . 1 . 2 . 3]" 2
14 1 16 LYS O 1 24 LYS H 1.900 . 2.300 2.195 2.096 2.308 0.008 16 0 "[ . 1 . 2 . 3]" 2
15 1 16 LYS H 1 24 LYS O 1.900 . 2.300 2.232 2.126 2.313 0.013 3 0 "[ . 1 . 2 . 3]" 2
16 1 81 ARG O 1 89 LEU H 1.900 . 2.300 2.196 2.100 2.301 0.001 3 0 "[ . 1 . 2 . 3]" 2
17 1 83 ASP H 1 87 ARG O 1.900 . 2.300 2.238 2.095 2.311 0.011 29 0 "[ . 1 . 2 . 3]" 2
18 1 10 GLU H 1 74 VAL O 1.900 . 2.300 2.237 2.109 2.309 0.009 1 0 "[ . 1 . 2 . 3]" 2
19 1 10 GLU O 1 74 VAL H 1.900 . 2.300 2.152 2.083 2.289 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 73 GLU O 1 93 TYR H 1.900 . 2.300 2.180 2.102 2.303 0.003 5 0 "[ . 1 . 2 . 3]" 2
21 1 73 GLU H 1 93 TYR O 1.900 . 2.300 2.202 2.108 2.314 0.014 24 0 "[ . 1 . 2 . 3]" 2
22 1 75 GLU H 1 91 TYR O 1.900 . 2.300 2.228 2.097 2.311 0.011 29 0 "[ . 1 . 2 . 3]" 2
23 1 75 GLU O 1 91 TYR H 1.900 . 2.300 2.191 2.085 2.317 0.017 9 0 "[ . 1 . 2 . 3]" 2
24 1 94 ALA H 1 97 LYS O 1.900 . 2.300 2.133 2.082 2.304 0.004 7 0 "[ . 1 . 2 . 3]" 2
25 1 94 ALA O 1 97 LYS H 1.900 . 2.300 2.132 2.077 2.305 0.005 2 0 "[ . 1 . 2 . 3]" 2
26 1 92 ILE O 1 99 VAL H 1.900 . 2.300 2.161 2.095 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 57 GLU O 1 61 PHE H 1.900 . 2.300 2.200 2.101 2.331 0.031 25 0 "[ . 1 . 2 . 3]" 2
28 1 58 ALA O 1 62 THR H 1.900 . 2.300 2.217 2.095 2.342 0.042 19 0 "[ . 1 . 2 . 3]" 2
29 1 59 SER O 1 63 LYS H 1.900 . 2.300 2.205 2.097 2.317 0.017 4 0 "[ . 1 . 2 . 3]" 2
30 1 60 ALA O 1 64 LYS H 1.900 . 2.300 2.165 2.088 2.273 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 61 PHE O 1 65 MET H 1.900 . 2.300 2.192 2.097 2.306 0.006 25 0 "[ . 1 . 2 . 3]" 2
32 1 62 THR O 1 66 VAL H 1.900 . 2.300 2.242 2.113 2.319 0.019 7 0 "[ . 1 . 2 . 3]" 2
33 1 63 LYS O 1 67 GLU H 1.900 . 2.300 2.238 2.101 2.319 0.019 10 0 "[ . 1 . 2 . 3]" 2
34 1 64 LYS O 1 68 ASN H 1.900 . 2.300 2.094 2.057 2.119 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 65 MET O 1 69 ALA H 1.900 . 2.300 2.158 2.095 2.304 0.004 15 0 "[ . 1 . 2 . 3]" 2
36 1 98 MET O 1 102 ALA H 1.900 . 2.300 2.192 2.091 2.319 0.019 20 0 "[ . 1 . 2 . 3]" 2
37 1 99 VAL O 1 103 LEU H 1.900 . 2.300 2.118 2.078 2.225 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 100 ASN O 1 104 VAL H 1.900 . 2.300 2.225 2.097 2.321 0.021 5 0 "[ . 1 . 2 . 3]" 2
39 1 101 GLU O 1 105 ARG H 1.900 . 2.300 2.190 2.097 2.305 0.005 28 0 "[ . 1 . 2 . 3]" 2
40 1 102 ALA O 1 106 GLN H 1.900 . 2.300 2.202 2.095 2.304 0.004 1 0 "[ . 1 . 2 . 3]" 2
41 1 122 GLU O 1 126 ARG H 1.900 . 2.300 2.145 2.088 2.249 . 0 0 "[ . 1 . 2 . 3]" 2
42 1 124 LEU O 1 128 SER H 1.900 . 2.300 2.258 2.091 2.316 0.016 13 0 "[ . 1 . 2 . 3]" 2
43 1 123 GLN O 1 127 LYS H 1.900 . 2.300 2.247 2.095 2.324 0.024 18 0 "[ . 1 . 2 . 3]" 2
44 1 130 ALA O 1 134 LYS H 1.900 . 2.300 2.207 2.098 2.310 0.010 23 0 "[ . 1 . 2 . 3]" 2
45 1 131 GLN O 1 135 GLU H 1.900 . 2.300 2.283 2.181 2.328 0.028 23 0 "[ . 1 . 2 . 3]" 2
46 1 132 ALA O 1 136 LYS H 1.900 . 2.300 2.262 2.095 2.326 0.026 9 0 "[ . 1 . 2 . 3]" 2
47 1 125 LEU O 1 129 GLU H 1.900 . 2.300 2.156 2.088 2.304 0.004 2 0 "[ . 1 . 2 . 3]" 2
48 1 126 ARG O 1 130 ALA H 1.900 . 2.300 2.228 2.107 2.309 0.009 17 0 "[ . 1 . 2 . 3]" 2
49 1 127 LYS O 1 131 GLN H 1.900 . 2.300 2.226 2.105 2.313 0.013 25 0 "[ . 1 . 2 . 3]" 2
50 1 128 SER O 1 132 ALA H 1.900 . 2.300 2.249 2.134 2.313 0.013 8 0 "[ . 1 . 2 . 3]" 2
51 1 129 GLU O 1 133 LYS H 1.900 . 2.300 2.155 2.089 2.284 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 33 THR O 1 88 GLY H 1.900 . 2.300 2.180 2.097 2.302 0.002 8 0 "[ . 1 . 2 . 3]" 2
53 1 18 ILE H 1 22 THR O 1.900 . 2.300 2.223 2.098 2.330 0.030 12 0 "[ . 1 . 2 . 3]" 2
54 1 21 ASP O 1 36 LEU H 1.900 . 2.300 2.232 2.099 2.318 0.018 20 0 "[ . 1 . 2 . 3]" 2
55 1 19 ASP H 1 22 THR O 1.900 . 2.300 2.157 2.089 2.297 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 37 LEU H 1 90 ALA O 1.900 . 2.300 2.273 2.097 2.335 0.035 26 0 "[ . 1 . 2 . 3]" 2
57 1 12 ALA N 1 72 ILE O 2.900 2.400 3.300 3.055 2.895 3.252 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 13 THR O 1 26 MET N 2.900 2.400 3.300 2.847 2.616 3.043 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 13 THR N 1 26 MET O 2.900 2.400 3.300 3.218 3.086 3.311 0.011 23 0 "[ . 1 . 2 . 3]" 2
60 1 23 VAL N 1 34 PHE O 2.900 2.400 3.300 3.123 2.980 3.279 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 25 LEU N 1 32 MET O 2.900 2.400 3.300 3.129 3.003 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 27 TYR N 1 30 GLN O 2.900 2.400 3.300 2.922 2.746 3.052 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 27 TYR O 1 30 GLN N 2.900 2.400 3.300 2.961 2.722 3.077 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 25 LEU O 1 32 MET N 2.900 2.400 3.300 3.195 3.065 3.278 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 23 VAL O 1 34 PHE N 2.900 2.400 3.300 2.960 2.673 3.169 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 35 ARG N 1 88 GLY O 2.900 2.400 3.300 3.060 2.692 3.258 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 38 LEU O 1 112 ALA N 2.900 2.400 3.300 3.169 3.011 3.305 0.005 11 0 "[ . 1 . 2 . 3]" 2
68 1 40 ASP N 1 110 LYS O 2.900 2.400 3.300 2.838 2.630 3.028 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 40 ASP O 1 110 LYS N 2.900 2.400 3.300 3.085 2.822 3.239 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 16 LYS O 1 24 LYS N 2.900 2.400 3.300 3.075 2.921 3.224 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 16 LYS N 1 24 LYS O 2.900 2.400 3.300 3.178 3.069 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 81 ARG O 1 89 LEU N 2.900 2.400 3.300 3.017 2.774 3.245 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 83 ASP N 1 87 ARG O 2.900 2.400 3.300 3.110 3.008 3.232 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 10 GLU N 1 74 VAL O 2.900 2.400 3.300 3.161 3.032 3.272 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 10 GLU O 1 74 VAL N 2.900 2.400 3.300 3.044 2.882 3.201 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 73 GLU O 1 93 TYR N 2.900 2.400 3.300 2.987 2.837 3.217 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 73 GLU N 1 93 TYR O 2.900 2.400 3.300 3.143 3.005 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 75 GLU N 1 91 TYR O 2.900 2.400 3.300 3.072 2.827 3.272 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 75 GLU O 1 91 TYR N 2.900 2.400 3.300 3.137 3.023 3.286 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 94 ALA N 1 97 LYS O 2.900 2.400 3.300 2.992 2.798 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 94 ALA O 1 97 LYS N 2.900 2.400 3.300 2.989 2.804 3.117 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 92 ILE O 1 99 VAL N 2.900 2.400 3.300 2.960 2.813 3.094 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 57 GLU O 1 61 PHE N 2.900 2.400 3.300 3.040 2.797 3.253 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 58 ALA O 1 62 THR N 2.900 2.400 3.300 3.040 2.855 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 59 SER O 1 63 LYS N 2.900 2.400 3.300 3.145 3.034 3.295 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 60 ALA O 1 64 LYS N 2.900 2.400 3.300 2.942 2.801 3.073 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 61 PHE O 1 65 MET N 2.900 2.400 3.300 3.090 2.973 3.227 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 62 THR O 1 66 VAL N 2.900 2.400 3.300 3.101 2.963 3.187 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 63 LYS O 1 67 GLU N 2.900 2.400 3.300 3.030 2.794 3.188 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 64 LYS O 1 68 ASN N 2.900 2.400 3.300 3.003 2.834 3.060 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 65 MET O 1 69 ALA N 2.900 2.400 3.300 2.993 2.910 3.090 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 98 MET O 1 102 ALA N 2.900 2.400 3.300 2.958 2.764 3.142 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 99 VAL O 1 103 LEU N 2.900 2.400 3.300 3.051 2.926 3.144 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 100 ASN O 1 104 VAL N 2.900 2.400 3.300 3.144 2.903 3.301 0.001 5 0 "[ . 1 . 2 . 3]" 2
95 1 101 GLU O 1 105 ARG N 2.900 2.400 3.300 3.030 2.917 3.161 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 102 ALA O 1 106 GLN N 2.900 2.400 3.300 2.958 2.727 3.190 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 122 GLU O 1 126 ARG N 2.900 2.400 3.300 2.958 2.800 3.060 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 124 LEU O 1 128 SER N 2.900 2.400 3.300 3.225 3.049 3.289 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 123 GLN O 1 127 LYS N 2.900 2.400 3.300 3.133 2.993 3.258 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 130 ALA O 1 134 LYS N 2.900 2.400 3.300 2.939 2.760 3.176 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 131 GLN O 1 135 GLU N 2.900 2.400 3.300 2.943 2.742 3.182 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 132 ALA O 1 136 LYS N 2.900 2.400 3.300 2.955 2.787 3.131 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 125 LEU O 1 129 GLU N 2.900 2.400 3.300 3.041 2.910 3.196 . 0 0 "[ . 1 . 2 . 3]" 2
104 1 126 ARG O 1 130 ALA N 2.900 2.400 3.300 2.996 2.763 3.166 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 127 LYS O 1 131 GLN N 2.900 2.400 3.300 3.136 3.012 3.250 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 128 SER O 1 132 ALA N 2.900 2.400 3.300 3.196 3.077 3.279 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 129 GLU O 1 133 LYS N 2.900 2.400 3.300 3.070 2.965 3.195 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 33 THR O 1 88 GLY N 2.900 2.400 3.300 3.003 2.519 3.265 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 18 ILE N 1 22 THR O 2.900 2.400 3.300 3.128 2.908 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 21 ASP O 1 36 LEU N 2.900 2.400 3.300 3.143 3.001 3.257 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 19 ASP N 1 22 THR O 2.900 2.400 3.300 3.066 2.916 3.229 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 37 LEU N 1 90 ALA O 2.900 2.400 3.300 3.116 2.838 3.218 . 0 0 "[ . 1 . 2 . 3]" 2
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