NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382956 |
1joq   |
4053 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1joq
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 1703
_Distance_constraint_stats_list.Viol_count 1088
_Distance_constraint_stats_list.Viol_total 912.812
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_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 1.298 0.094 22 0 "[ . 1 . 2 . 3]"
1 9 LYS 0.127 0.026 26 0 "[ . 1 . 2 . 3]"
1 10 GLU 0.432 0.047 19 0 "[ . 1 . 2 . 3]"
1 11 PRO 1.224 0.109 9 0 "[ . 1 . 2 . 3]"
1 12 ALA 1.394 0.109 9 0 "[ . 1 . 2 . 3]"
1 13 THR 0.596 0.061 21 0 "[ . 1 . 2 . 3]"
1 14 LEU 0.056 0.022 4 0 "[ . 1 . 2 . 3]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.227 0.050 16 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.019 0.010 12 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.047 0.022 26 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.076 0.015 15 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.015 0.015 15 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.008 0.006 6 0 "[ . 1 . 2 . 3]"
1 22 THR 0.024 0.017 25 0 "[ . 1 . 2 . 3]"
1 23 VAL 0.011 0.011 3 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.173 0.029 29 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.767 0.087 1 0 "[ . 1 . 2 . 3]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 TYR 0.021 0.012 24 0 "[ . 1 . 2 . 3]"
1 28 LYS 0.720 0.084 27 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.372 0.081 2 0 "[ . 1 . 2 . 3]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 MET 0.021 0.007 25 0 "[ . 1 . 2 . 3]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 PHE 0.448 0.087 1 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.012 0.006 6 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.098 0.019 6 0 "[ . 1 . 2 . 3]"
1 37 LEU 0.479 0.043 25 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 VAL 0.511 0.170 19 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.730 0.170 19 0 "[ . 1 . 2 . 3]"
1 41 THR 0.109 0.062 24 0 "[ . 1 . 2 . 3]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 LYS 0.074 0.059 1 0 "[ . 1 . 2 . 3]"
1 46 HIS 0.662 0.138 1 0 "[ . 1 . 2 . 3]"
1 47 PRO 0.138 0.138 1 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.011 0.011 20 0 "[ . 1 . 2 . 3]"
1 49 LYS 0.011 0.011 20 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.072 0.030 1 0 "[ . 1 . 2 . 3]"
1 51 VAL 0.325 0.085 17 0 "[ . 1 . 2 . 3]"
1 52 GLU 0.211 0.043 4 0 "[ . 1 . 2 . 3]"
1 53 LYS 0.031 0.031 3 0 "[ . 1 . 2 . 3]"
1 54 TYR 0.035 0.035 3 0 "[ . 1 . 2 . 3]"
1 55 GLY 0.069 0.035 3 0 "[ . 1 . 2 . 3]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 SER 0.062 0.012 13 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.412 0.058 12 0 "[ . 1 . 2 . 3]"
1 61 PHE 2.426 0.074 23 0 "[ . 1 . 2 . 3]"
1 62 THR 2.225 0.074 23 0 "[ . 1 . 2 . 3]"
1 63 LYS 2.373 0.073 2 0 "[ . 1 . 2 . 3]"
1 64 LYS 2.367 0.073 2 0 "[ . 1 . 2 . 3]"
1 65 MET 2.134 0.073 27 0 "[ . 1 . 2 . 3]"
1 66 VAL 1.962 0.073 27 0 "[ . 1 . 2 . 3]"
1 67 GLU 1.078 0.058 4 0 "[ . 1 . 2 . 3]"
1 68 ASN 1.012 0.058 4 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.118 0.027 12 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.516 0.064 14 0 "[ . 1 . 2 . 3]"
1 71 LYS 0.519 0.064 14 0 "[ . 1 . 2 . 3]"
1 72 ILE 0.272 0.037 24 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.131 0.030 22 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.458 0.047 19 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.246 0.062 29 0 "[ . 1 . 2 . 3]"
1 76 PHE 0.046 0.009 2 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.103 0.027 22 0 "[ . 1 . 2 . 3]"
1 78 LYS 0.056 0.020 2 0 "[ . 1 . 2 . 3]"
1 79 GLY 0.074 0.027 22 0 "[ . 1 . 2 . 3]"
1 80 GLN 0.028 0.012 2 0 "[ . 1 . 2 . 3]"
1 81 ARG 0.019 0.011 29 0 "[ . 1 . 2 . 3]"
1 82 THR 0.215 0.044 29 0 "[ . 1 . 2 . 3]"
1 83 ASP 0.556 0.081 22 0 "[ . 1 . 2 . 3]"
1 84 LYS 0.770 0.081 22 0 "[ . 1 . 2 . 3]"
1 85 TYR 0.231 0.049 29 0 "[ . 1 . 2 . 3]"
1 86 GLY 0.022 0.017 28 0 "[ . 1 . 2 . 3]"
1 87 ARG 0.026 0.011 28 0 "[ . 1 . 2 . 3]"
1 88 GLY 0.370 0.048 3 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.767 0.064 26 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.753 0.064 26 0 "[ . 1 . 2 . 3]"
1 91 TYR 0.040 0.020 22 0 "[ . 1 . 2 . 3]"
1 92 ILE 0.130 0.019 26 0 "[ . 1 . 2 . 3]"
1 93 TYR 0.375 0.062 29 0 "[ . 1 . 2 . 3]"
1 94 ALA 0.058 0.025 18 0 "[ . 1 . 2 . 3]"
1 95 ASP 0.075 0.033 17 0 "[ . 1 . 2 . 3]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 LYS 0.007 0.004 3 0 "[ . 1 . 2 . 3]"
1 98 MET 0.200 0.029 19 0 "[ . 1 . 2 . 3]"
1 99 VAL 0.005 0.003 15 0 "[ . 1 . 2 . 3]"
1 100 ASN 0.178 0.019 6 0 "[ . 1 . 2 . 3]"
1 101 GLU 0.511 0.043 18 0 "[ . 1 . 2 . 3]"
1 102 ALA 2.079 0.073 22 0 "[ . 1 . 2 . 3]"
1 103 LEU 1.701 0.073 22 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.137 0.029 23 0 "[ . 1 . 2 . 3]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 GLN 0.036 0.018 20 0 "[ . 1 . 2 . 3]"
1 107 GLY 0.113 0.040 17 0 "[ . 1 . 2 . 3]"
1 108 LEU 0.097 0.046 10 0 "[ . 1 . 2 . 3]"
1 109 ALA 0.008 0.008 24 0 "[ . 1 . 2 . 3]"
1 110 LYS 0.212 0.074 29 0 "[ . 1 . 2 . 3]"
1 111 VAL 0.022 0.022 10 0 "[ . 1 . 2 . 3]"
1 112 ALA 0.070 0.029 20 0 "[ . 1 . 2 . 3]"
1 113 TYR 0.139 0.029 20 0 "[ . 1 . 2 . 3]"
1 114 VAL 0.143 0.051 11 0 "[ . 1 . 2 . 3]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 116 LYS 0.026 0.008 17 0 "[ . 1 . 2 . 3]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ASN 0.213 0.056 2 0 "[ . 1 . 2 . 3]"
1 119 ASN 0.587 0.075 17 0 "[ . 1 . 2 . 3]"
1 120 THR 0.346 0.080 2 0 "[ . 1 . 2 . 3]"
1 121 HIS 0.383 0.080 2 0 "[ . 1 . 2 . 3]"
1 122 GLU 0.133 0.043 23 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.002 0.002 9 0 "[ . 1 . 2 . 3]"
1 124 LEU 0.395 0.073 21 0 "[ . 1 . 2 . 3]"
1 125 LEU 0.030 0.020 4 0 "[ . 1 . 2 . 3]"
1 126 ARG 0.015 0.015 15 0 "[ . 1 . 2 . 3]"
1 127 LYS 1.475 0.071 6 0 "[ . 1 . 2 . 3]"
1 128 SER 1.410 0.071 6 0 "[ . 1 . 2 . 3]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 130 ALA 0.847 0.062 28 0 "[ . 1 . 2 . 3]"
1 131 GLN 0.781 0.062 28 0 "[ . 1 . 2 . 3]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 133 LYS 0.280 0.059 29 0 "[ . 1 . 2 . 3]"
1 134 LYS 0.870 0.103 15 0 "[ . 1 . 2 . 3]"
1 135 GLU 0.816 0.054 11 0 "[ . 1 . 2 . 3]"
1 136 LYS 0.045 0.012 27 0 "[ . 1 . 2 . 3]"
1 137 LEU 0.885 0.075 3 0 "[ . 1 . 2 . 3]"
1 138 ASN 0.510 0.086 10 0 "[ . 1 . 2 . 3]"
1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 140 TRP 0.419 0.059 29 0 "[ . 1 . 2 . 3]"
1 141 SER 0.591 0.099 14 0 "[ . 1 . 2 . 3]"
1 142 GLU 1.107 0.099 14 0 "[ . 1 . 2 . 3]"
1 143 ASP 0.221 0.089 24 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 7 LEU H 1 7 LEU QB 3.400 . 3.500 2.547 2.099 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 7 LEU H 1 7 LEU HG 3.000 . 3.500 2.705 1.885 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 8 HIS H 1 9 LYS H 4.000 . 5.300 4.275 3.784 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 7 LEU H 1 8 HIS H 5.800 . 6.500 4.505 4.149 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 8 HIS H 1 8 HIS HA 2.900 . 3.500 2.976 2.885 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 8 HIS H 1 8 HIS HB3 2.700 . 3.500 3.123 2.495 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 8 HIS H 1 8 HIS HB2 3.400 . 3.500 3.209 2.545 3.594 0.094 22 0 "[ . 1 . 2 . 3]" 1
8 1 8 HIS H 1 75 GLU HA 5.000 . 5.300 4.652 3.991 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 8 HIS H 1 75 GLU HG3 3.400 . 3.500 3.313 2.429 3.511 0.011 9 0 "[ . 1 . 2 . 3]" 1
10 1 8 HIS H 1 75 GLU HG2 4.600 . 5.300 4.223 3.430 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 7 LEU MD1 1 8 HIS H 4.500 . 5.300 4.095 3.748 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 7 LEU HG 1 8 HIS H 5.500 . 6.500 4.381 3.439 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 8 HIS H 1 8 HIS HD2 4.500 . 5.300 4.535 2.889 5.334 0.034 14 0 "[ . 1 . 2 . 3]" 1
14 1 8 HIS HA 1 8 HIS HB3 2.700 . 3.500 2.742 2.283 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 8 HIS HA 1 8 HIS HB2 2.400 . 2.700 2.632 2.404 2.751 0.051 8 0 "[ . 1 . 2 . 3]" 1
16 1 8 HIS HB2 1 8 HIS HD2 3.400 . 3.500 3.197 2.752 3.591 0.091 12 0 "[ . 1 . 2 . 3]" 1
17 1 8 HIS HB3 1 8 HIS HD2 3.500 . 5.300 3.661 2.739 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 8 HIS HA 1 9 LYS H 2.400 . 2.700 2.230 2.190 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 8 HIS HB3 1 9 LYS H 3.600 . 5.300 4.025 3.494 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 8 HIS HB2 1 9 LYS H 3.500 . 5.300 4.042 2.836 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 9 LYS H 1 9 LYS HG2 2.900 . 3.500 3.238 2.667 3.525 0.025 1 0 "[ . 1 . 2 . 3]" 1
22 1 9 LYS H 1 9 LYS QD 3.800 . 5.300 4.264 3.403 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 9 LYS H 1 9 LYS HG3 2.800 . 3.500 2.806 2.056 3.503 0.003 1 0 "[ . 1 . 2 . 3]" 1
24 1 9 LYS H 1 9 LYS HB3 3.500 . 5.300 3.679 3.520 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 9 LYS H 1 9 LYS HB2 2.600 . 2.700 2.521 2.198 2.726 0.026 26 0 "[ . 1 . 2 . 3]" 1
26 1 9 LYS HA 1 9 LYS HB3 3.000 . 3.500 2.479 2.367 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 9 LYS HA 1 10 GLU H 2.500 . 2.700 2.209 2.179 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 10 GLU H 1 10 GLU HB2 3.000 . 3.500 2.539 2.290 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 10 GLU H 1 10 GLU HB3 4.000 . 5.300 3.646 3.397 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 10 GLU H 1 10 GLU HG2 4.000 . 5.300 4.078 2.655 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 9 LYS HB3 1 10 GLU H 3.200 . 3.500 3.312 2.871 3.511 0.011 22 0 "[ . 1 . 2 . 3]" 1
32 1 9 LYS HB2 1 10 GLU H 3.800 . 5.300 4.173 3.919 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 10 GLU H 1 74 VAL QG . . 5.300 3.024 2.675 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 10 GLU H 1 75 GLU QB . . 5.300 4.486 3.631 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 9 LYS HG2 1 10 GLU H 4.100 . 5.300 4.460 3.900 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 10 GLU H 1 74 VAL HB 4.000 . 5.300 5.274 5.081 5.347 0.047 19 0 "[ . 1 . 2 . 3]" 1
37 1 10 GLU HA 1 10 GLU HG2 2.900 . 3.500 2.930 1.960 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 10 GLU HA 1 10 GLU HB3 2.800 . 3.500 2.622 2.289 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 10 GLU HA 1 11 PRO QD 3.000 . 3.500 2.008 1.911 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 11 PRO HA 1 11 PRO HB3 2.700 . 3.500 2.304 2.296 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 11 PRO HA 1 12 ALA H 2.400 . 2.700 2.430 2.337 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 12 ALA H 1 12 ALA HA 2.900 . 3.500 2.942 2.901 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 12 ALA H 1 73 GLU HA 3.200 . 3.500 3.410 3.158 3.530 0.030 22 0 "[ . 1 . 2 . 3]" 1
44 1 11 PRO QG 1 12 ALA H 5.400 . 6.500 4.283 4.102 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 11 PRO HB3 1 12 ALA H 3.300 . 3.500 3.538 3.431 3.609 0.109 9 0 "[ . 1 . 2 . 3]" 1
46 1 11 PRO HB2 1 12 ALA H 3.500 . 5.300 2.700 2.457 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 12 ALA H 1 72 ILE MG 4.700 . 5.300 4.089 3.622 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 12 ALA H 1 74 VAL H 4.200 . 5.300 4.918 4.529 5.331 0.031 9 0 "[ . 1 . 2 . 3]" 1
49 1 12 ALA HA 1 27 TYR HA 3.000 . 3.500 3.136 2.953 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 13 THR H 1 13 THR HB 3.300 . 3.500 2.884 2.617 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 13 THR H 1 26 MET HB3 3.500 . 5.300 3.260 2.808 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 13 THR H 1 25 LEU MD1 6.000 . 6.500 4.383 4.105 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 12 ALA HA 1 13 THR H 2.600 . 3.500 2.592 2.429 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 12 ALA MB 1 13 THR H 3.700 . 5.300 2.280 1.858 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 13 THR H 1 25 LEU HA 4.300 . 5.300 4.061 3.815 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 13 THR H 1 25 LEU HB2 3.400 . 3.500 3.518 3.472 3.561 0.061 21 0 "[ . 1 . 2 . 3]" 1
57 1 13 THR H 1 25 LEU MD2 6.000 . 6.500 4.433 3.632 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 13 THR H 1 26 MET H 3.200 . 3.500 2.113 1.841 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 13 THR H 1 14 LEU H 4.200 . 5.300 4.316 3.694 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 13 THR HA 1 72 ILE HB 3.600 . 5.300 4.178 3.349 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 13 THR HA 1 14 LEU HB3 5.000 . 5.300 4.791 4.520 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 13 THR HA 1 13 THR HB 3.000 . 3.500 3.010 2.964 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 13 THR HA 1 72 ILE MD 4.400 . 5.300 3.640 2.748 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 14 LEU H 1 72 ILE MG 5.300 . 6.500 4.618 3.377 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 14 LEU H 1 14 LEU MD1 5.000 . 5.300 4.097 3.976 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 14 LEU H 1 14 LEU MD2 5.400 . 6.500 4.071 3.735 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 13 THR MG 1 14 LEU H 4.200 . 5.300 2.585 1.957 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 14 LEU H 1 14 LEU HB2 2.700 . 3.500 2.577 2.348 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 14 LEU H 1 14 LEU HB3 2.700 . 3.500 2.606 2.402 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 14 LEU H 1 14 LEU HA 3.000 . 3.500 2.906 2.801 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 13 THR HB 1 14 LEU H 4.000 . 5.300 3.990 3.328 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 13 THR HA 1 14 LEU H 2.900 . 3.500 2.237 2.189 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 14 LEU HA 1 14 LEU HB2 3.000 . 3.500 2.519 2.407 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 14 LEU HA 1 25 LEU HA . . 3.500 3.065 2.556 3.522 0.022 4 0 "[ . 1 . 2 . 3]" 1
75 1 14 LEU HA 1 14 LEU MD1 4.100 . 5.300 2.467 1.827 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 14 LEU H 1 15 ILE H 5.900 . 6.500 4.344 4.115 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 14 LEU H 1 72 ILE MD 4.000 . 5.300 2.884 2.416 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 15 ILE H 1 16 LYS H 2.700 . 3.500 2.588 2.238 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 14 LEU HA 1 15 ILE H 3.000 . 3.500 2.239 2.189 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 14 LEU HB3 1 15 ILE H 4.500 . 5.300 4.333 3.959 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 15 ILE H 1 15 ILE HB 2.800 . 3.500 2.535 2.334 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 15 ILE H 1 15 ILE HG13 3.200 . 3.500 2.406 1.922 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 15 ILE H 1 15 ILE MD 5.200 . 6.500 3.637 3.171 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 14 LEU HB2 1 15 ILE H 4.800 . 5.300 4.504 4.015 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 14 LEU MD1 1 15 ILE H 5.000 . 5.300 2.845 1.931 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 15 ILE HA 1 16 LYS H 3.600 . 5.300 3.587 3.576 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 16 LYS H 1 16 LYS HB2 3.500 . 5.300 3.330 2.953 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 15 ILE HB 1 16 LYS H 2.500 . 3.500 2.181 1.961 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 15 ILE HG13 1 16 LYS H 5.000 . 5.300 4.094 3.774 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 14 LEU MD1 1 16 LYS H 5.000 . 5.300 3.162 2.337 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 16 LYS H 1 16 LYS HB3 2.800 . 3.500 3.194 2.956 3.550 0.050 16 0 "[ . 1 . 2 . 3]" 1
92 1 16 LYS H 1 25 LEU HA 4.200 . 5.300 4.054 3.888 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 16 LYS H 1 24 LYS HB2 2.700 . 3.500 2.628 2.240 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 16 LYS H 1 24 LYS HD3 5.400 . 6.500 5.539 3.798 6.503 0.003 27 0 "[ . 1 . 2 . 3]" 1
95 1 15 ILE MD 1 16 LYS H 5.800 . 6.500 4.103 3.812 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 15 ILE MG 1 16 LYS H 4.200 . 5.300 3.119 2.472 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 14 LEU HA 1 16 LYS H 3.800 . 5.300 4.331 4.037 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 16 LYS HA 1 16 LYS HB3 3.000 . 3.500 2.991 2.422 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 16 LYS HA 1 16 LYS HB2 2.600 . 2.700 2.583 2.401 2.726 0.026 28 0 "[ . 1 . 2 . 3]" 1
100 1 16 LYS HA 1 17 ALA H 3.300 . 3.500 2.201 2.187 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 16 LYS H 1 17 ALA H 3.600 . 5.300 3.922 3.700 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 16 LYS HB2 1 17 ALA H 3.500 . 5.300 4.457 3.471 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 17 ALA H 1 66 VAL MG2 5.500 . 6.500 4.171 3.415 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 16 LYS QG 1 17 ALA H 3.600 . 5.300 3.019 2.278 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 17 ALA H 1 18 ILE HG13 5.000 . 5.300 5.165 4.840 5.310 0.010 12 0 "[ . 1 . 2 . 3]" 1
106 1 14 LEU MD2 1 17 ALA H 4.800 . 5.300 4.062 3.451 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 14 LEU MD1 1 17 ALA H 4.600 . 5.300 3.284 2.548 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 17 ALA H 1 18 ILE H 4.700 . 5.300 4.646 4.557 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 17 ALA HA 1 18 ILE H 2.800 . 3.500 2.303 2.193 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 18 ILE H 1 23 VAL HA 3.000 . 3.500 2.321 2.039 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 18 ILE H 1 23 VAL MG1 4.300 . 5.300 2.609 2.119 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 18 ILE H 1 18 ILE HB 3.200 . 3.500 2.620 2.409 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 18 ILE H 1 22 THR HB 4.900 . 5.300 3.937 3.373 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 17 ALA MB 1 18 ILE H 4.400 . 5.300 2.817 2.437 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 18 ILE H 1 18 ILE HG13 3.300 . 3.500 2.618 2.180 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 18 ILE H 1 24 LYS H 4.100 . 5.300 3.814 3.155 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 19 ASP H 1 22 THR H 3.100 . 3.500 3.128 2.862 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 19 ASP H 1 22 THR HB 3.300 . 3.500 2.499 2.050 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 18 ILE H 1 19 ASP H 2.600 . 3.500 2.436 1.979 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 18 ILE HA 1 19 ASP H 3.600 . 5.300 3.575 3.530 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 19 ASP H 1 19 ASP HB3 3.700 . 5.300 3.554 2.950 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 18 ILE MG 1 19 ASP H 4.200 . 5.300 3.141 2.414 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 18 ILE HG13 1 19 ASP H 4.500 . 5.300 4.098 3.806 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 17 ALA MB 1 19 ASP H 5.400 . 6.500 4.152 3.435 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 18 ILE HB 1 19 ASP H 2.700 . 3.500 2.170 1.869 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 19 ASP H 1 23 VAL MG1 4.800 . 5.300 3.618 3.236 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 19 ASP H 1 22 THR MG 5.100 . 5.300 3.919 3.217 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 19 ASP H 1 59 SER HA 5.200 . 5.300 5.121 4.514 5.312 0.012 13 0 "[ . 1 . 2 . 3]" 1
129 1 19 ASP HA 1 19 ASP HB2 2.700 . 3.500 2.899 2.399 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 20 GLY H 1 59 SER QB 4.700 . 5.300 3.511 2.656 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 19 ASP HB2 1 20 GLY H 3.200 . 3.500 2.947 1.861 3.515 0.015 15 0 "[ . 1 . 2 . 3]" 1
132 1 19 ASP HB3 1 20 GLY H 3.600 . 5.300 2.111 1.850 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 20 GLY H 1 58 ALA MB 6.000 . 6.500 3.516 2.722 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 20 GLY H 1 21 ASP H 4.500 . 5.300 2.439 2.298 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 20 GLY H 1 22 THR H 5.100 . 5.300 3.850 3.398 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 19 ASP HA 1 20 GLY H 4.500 . 5.300 2.854 2.528 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 20 GLY H 1 41 THR MG 5.900 . 6.500 3.657 2.521 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 20 GLY H 1 44 THR MG 6.000 . 6.500 4.081 2.616 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 20 GLY HA3 1 103 LEU MD1 6.000 . 6.500 4.441 3.257 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 21 ASP H 1 22 THR MG 5.300 . 6.500 5.239 4.858 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 21 ASP HA 1 36 LEU QD 4.600 . 5.300 2.266 1.852 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 21 ASP H 1 35 ARG HD2 5.600 . 6.500 5.616 4.675 6.506 0.006 6 0 "[ . 1 . 2 . 3]" 1
143 1 20 GLY HA3 1 22 THR H 4.600 . 5.300 4.630 4.239 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 22 THR H 1 22 THR HB 2.900 . 3.500 2.985 2.593 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 21 ASP HA 1 22 THR H 3.400 . 3.500 3.160 2.720 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 22 THR H 1 23 VAL H 4.700 . 5.300 4.226 3.912 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 22 THR H 1 62 THR MG 5.500 . 6.500 4.441 3.605 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 22 THR HA 1 35 ARG HD3 3.700 . 5.300 4.405 3.316 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 22 THR HA 1 22 THR HB 2.900 . 3.500 3.000 2.855 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 22 THR HA 1 35 ARG HA 2.600 . 3.500 2.646 2.263 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 22 THR HA 1 36 LEU HB2 5.400 . 6.500 6.288 5.740 6.517 0.017 25 0 "[ . 1 . 2 . 3]" 1
152 1 22 THR HA 1 35 ARG QB 5.000 . 5.300 4.114 3.496 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 22 THR HA 1 23 VAL MG1 4.700 . 5.300 3.851 3.469 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 22 THR HA 1 23 VAL MG2 5.000 . 5.300 3.589 3.266 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 18 ILE MG 1 22 THR HB 4.800 . 5.300 3.352 2.308 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 22 THR HA 1 23 VAL H 2.500 . 2.700 2.209 2.185 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 23 VAL H 1 34 PHE HB2 4.400 . 5.300 3.790 3.478 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 23 VAL H 1 23 VAL HB 3.600 . 5.300 3.887 3.763 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 22 THR MG 1 23 VAL H 4.600 . 5.300 2.787 2.317 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 23 VAL H 1 23 VAL MG2 3.700 . 5.300 2.125 1.878 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 23 VAL H 1 23 VAL MG1 4.500 . 5.300 3.140 2.612 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 23 VAL H 1 34 PHE HB3 4.900 . 5.300 4.719 4.355 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 18 ILE MD 1 23 VAL HA 5.600 . 6.500 3.475 2.517 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 23 VAL HA 1 23 VAL HB 2.500 . 2.700 2.515 2.383 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 16 LYS HA 1 24 LYS H 4.300 . 5.300 5.083 4.869 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 23 VAL HA 1 24 LYS H 2.900 . 3.500 2.228 2.188 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 16 LYS H 1 24 LYS H 3.000 . 3.500 3.431 3.235 3.529 0.029 29 0 "[ . 1 . 2 . 3]" 1
168 1 15 ILE H 1 24 LYS H 4.600 . 5.300 4.983 4.590 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 23 VAL HB 1 24 LYS H 2.800 . 3.500 3.201 2.809 3.511 0.011 3 0 "[ . 1 . 2 . 3]" 1
170 1 24 LYS H 1 24 LYS HB2 2.900 . 3.500 2.632 2.289 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 24 LYS H 1 24 LYS HG2 3.200 . 3.500 3.000 2.317 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 24 LYS H 1 24 LYS HG3 4.100 . 5.300 2.345 1.861 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 18 ILE HB 1 24 LYS H 4.700 . 5.300 5.009 4.561 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 24 LYS H 1 24 LYS HB3 3.600 . 5.300 3.663 3.581 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 18 ILE HG13 1 24 LYS H 3.400 . 3.500 3.229 2.854 3.522 0.022 26 0 "[ . 1 . 2 . 3]" 1
176 1 23 VAL MG2 1 24 LYS H 4.200 . 5.300 3.970 3.614 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 23 VAL MG1 1 24 LYS H 4.500 . 5.300 3.908 3.663 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 24 LYS H 1 25 LEU HA 5.500 . 6.500 5.235 5.075 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 19 ASP H 1 24 LYS H 6.000 . 6.500 5.876 5.606 6.227 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 24 LYS HA 1 24 LYS HB3 2.900 . 3.500 2.410 2.312 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 24 LYS HA 1 24 LYS QD 3.500 . 5.300 3.812 2.820 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 24 LYS HA 1 33 THR MG 5.500 . 6.500 3.709 2.442 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 24 LYS HA 1 24 LYS HG2 2.800 . 3.500 2.529 2.119 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 24 LYS HA 1 33 THR HA 2.300 . 2.700 2.118 1.863 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 24 LYS HA 1 25 LEU H 2.600 . 3.500 2.196 2.186 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 25 LEU H 1 34 PHE QD 3.000 . 3.500 2.880 2.530 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 24 LYS HB3 1 25 LEU H 3.800 . 5.300 3.556 3.356 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 25 LEU H 1 25 LEU HB2 3.100 . 3.500 2.989 2.849 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 25 LEU H 1 25 LEU HB3 4.200 . 5.300 3.864 3.801 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 25 LEU H 1 25 LEU MD1 5.000 . 5.300 3.588 2.165 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 25 LEU H 1 25 LEU MD2 4.600 . 5.300 3.424 2.990 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 25 LEU H 1 33 THR HA 3.500 . 5.300 3.485 2.940 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 24 LYS HG2 1 25 LEU H 4.500 . 5.300 4.661 4.108 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 24 LYS HB2 1 25 LEU H 3.900 . 5.300 4.207 3.975 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 2.318 2.084 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 LEU HB2 1 25 LEU HA 5.400 . 6.500 5.523 4.995 5.948 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 24 LYS HB2 1 25 LEU HA 4.000 . 5.300 4.618 4.389 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 25 LEU HA 1 25 LEU HG 4.000 . 5.300 3.211 2.626 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 25 LEU HA 1 25 LEU MD2 4.300 . 5.300 2.414 1.993 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 12 ALA MB 1 25 LEU MD1 5.400 . 6.500 2.795 2.444 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 25 LEU MD1 1 72 ILE MG 5.600 . 6.500 2.710 2.183 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 15 ILE H 1 26 MET H 3.900 . 5.300 4.144 3.471 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 25 LEU HA 1 26 MET H 2.900 . 3.500 2.530 2.290 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 LEU HA 1 26 MET H 3.800 . 5.300 4.381 4.061 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 26 MET H 1 26 MET HB3 3.200 . 3.500 2.887 2.487 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 12 ALA MB 1 26 MET H 4.800 . 5.300 3.569 3.135 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 25 LEU MD1 1 26 MET H 5.300 . 6.500 4.498 3.938 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 25 LEU MD2 1 26 MET H 4.600 . 5.300 4.016 3.868 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 25 LEU HG 1 26 MET H 4.000 . 5.300 4.825 4.555 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 26 MET H 1 26 MET HB2 3.200 . 3.500 2.634 2.312 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 25 LEU HB2 1 26 MET H 3.500 . 5.300 3.040 2.427 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 ILE MD 1 26 MET H 5.500 . 6.500 3.205 2.510 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 26 MET HA 1 26 MET HB2 2.600 . 3.500 2.650 2.468 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 26 MET HA 1 26 MET HB3 2.700 . 3.500 2.994 2.972 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 26 MET HA 1 26 MET HG2 2.900 . 3.500 2.971 2.124 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 27 TYR H 1 30 GLN H 2.900 . 3.500 2.526 1.934 3.512 0.012 24 0 "[ . 1 . 2 . 3]" 1
217 1 12 ALA MB 1 27 TYR H 6.000 . 6.500 5.132 4.843 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 27 TYR H 1 29 GLY H 3.900 . 5.300 3.631 3.038 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 27 TYR H 1 27 TYR QD 4.300 . 5.300 4.256 4.034 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 26 MET HA 1 27 TYR H 2.800 . 3.500 2.212 2.174 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 27 TYR H 1 27 TYR QB 3.400 . 3.500 2.529 2.353 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 27 TYR H 1 30 GLN HB2 4.600 . 5.300 4.624 4.107 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 26 MET HB2 1 27 TYR H 3.900 . 5.300 4.428 4.201 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 26 MET H 1 27 TYR H 4.600 . 5.300 4.416 4.084 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 27 TYR H 1 32 MET HB2 5.500 . 6.500 4.702 3.621 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 27 TYR HA 1 27 TYR QB . . 2.700 2.356 2.311 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 12 ALA MB 1 27 TYR HA 4.800 . 5.300 3.772 3.475 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 10 GLU HB2 1 27 TYR QE 2.900 . 3.500 2.284 1.908 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 27 TYR QE 1 74 VAL QG 5.300 . 5.300 2.903 2.388 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 27 TYR QE 1 76 PHE QE 3.500 . 3.500 2.921 2.309 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 27 TYR QE 1 76 PHE QD 6.000 . 6.500 4.321 3.818 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 27 TYR QE 1 28 LYS QE 4.500 . 5.300 3.240 1.862 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 27 TYR QE 1 74 VAL H 5.500 . 6.500 4.882 4.327 5.561 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 10 GLU HB3 1 27 TYR QE 4.700 . 5.300 2.301 1.868 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 27 TYR HA 1 27 TYR QE 4.500 . 5.300 4.555 4.396 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 27 TYR QE 1 28 LYS HG3 4.000 . 5.300 3.586 2.013 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 27 TYR QD 1 74 VAL QG 5.300 . 5.300 2.559 2.087 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 27 TYR QB 1 27 TYR QD 2.800 . 3.500 2.151 2.148 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 27 TYR HA 1 27 TYR QD 2.600 . 3.500 2.681 2.334 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 27 TYR QD 1 28 LYS HG3 5.700 . 6.500 4.150 2.966 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 12 ALA MB 1 27 TYR QD 4.500 . 5.300 3.325 2.739 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 27 TYR QD 1 34 PHE HZ 3.500 . 5.300 4.009 3.172 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 27 TYR QB 1 28 LYS H 3.500 . 5.300 3.850 3.650 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 27 TYR QD 1 28 LYS H 3.500 . 5.300 3.614 3.145 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 28 LYS H 1 29 GLY H 3.100 . 3.500 2.757 2.608 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 27 TYR H 1 28 LYS H 4.300 . 5.300 4.248 4.047 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 28 LYS H 1 30 GLN H 4.000 . 5.300 4.266 3.989 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 27 TYR HA 1 28 LYS H 2.600 . 3.500 2.197 2.185 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 28 LYS H 1 28 LYS HA 2.400 . 2.700 2.349 2.336 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 28 LYS H 1 28 LYS HB3 3.600 . 5.300 4.103 4.040 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 28 LYS H 1 28 LYS HB2 3.300 . 3.500 3.292 3.094 3.515 0.015 7 0 "[ . 1 . 2 . 3]" 1
252 1 28 LYS H 1 28 LYS HG3 4.500 . 5.300 3.743 2.741 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 28 LYS H 1 28 LYS QD 3.900 . 5.300 3.768 2.182 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 27 TYR QE 1 28 LYS H 4.400 . 5.300 4.586 4.023 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 28 LYS HA 1 28 LYS HB3 2.300 . 2.700 2.661 2.526 2.760 0.060 4 0 "[ . 1 . 2 . 3]" 1
256 1 28 LYS HA 1 28 LYS HB2 3.000 . 3.500 2.985 2.933 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 28 LYS HA 1 28 LYS QD 4.500 . 5.300 2.924 1.815 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 28 LYS HA 1 28 LYS HG3 3.100 . 3.500 2.884 1.983 3.584 0.084 27 0 "[ . 1 . 2 . 3]" 1
259 1 29 GLY H 1 29 GLY HA2 2.300 . 2.700 2.388 2.346 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 28 LYS HA 1 29 GLY H 2.700 . 3.500 3.031 2.824 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 29 GLY H 1 29 GLY HA3 2.900 . 3.500 2.937 2.863 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 29 GLY H 1 30 GLN HB2 5.500 . 6.500 5.061 4.431 6.033 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 27 TYR HA 1 29 GLY H 3.500 . 5.300 3.660 3.392 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 29 GLY H 1 30 GLN H 2.600 . 3.500 2.428 2.158 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 28 LYS HB3 1 29 GLY H 3.600 . 5.300 4.272 4.019 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 28 LYS HB2 1 29 GLY H 3.800 . 5.300 4.068 3.730 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 28 LYS HG3 1 29 GLY H 5.400 . 6.500 5.322 4.771 5.973 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 26 MET HA 1 30 GLN H 4.000 . 5.300 3.865 3.365 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 30 GLN H 1 30 GLN HA 2.800 . 3.500 2.976 2.954 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 30 GLN H 1 30 GLN HB3 2.700 . 3.500 2.985 2.594 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 30 GLN H 1 30 GLN HB2 2.900 . 3.500 3.164 2.523 3.581 0.081 2 0 "[ . 1 . 2 . 3]" 1
272 1 30 GLN H 1 30 GLN QG 4.500 . 5.300 3.756 1.828 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 29 GLY HA2 1 30 GLN H 3.100 . 3.500 3.023 2.753 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 29 GLY HA3 1 30 GLN H 3.500 . 5.300 3.462 3.138 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 28 LYS HB3 1 30 GLN H 4.200 . 5.300 4.690 3.556 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 28 LYS HB2 1 30 GLN H 4.900 . 5.300 4.196 3.400 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 30 GLN H 1 31 PRO HD2 5.000 . 5.300 4.674 4.304 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 26 MET ME 1 30 GLN H 5.800 . 6.500 4.394 3.246 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 30 GLN HA 1 30 GLN HB2 2.500 . 2.700 2.581 2.405 2.740 0.040 12 0 "[ . 1 . 2 . 3]" 1
280 1 31 PRO HA 1 31 PRO HB3 2.700 . 3.500 2.311 2.308 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 15 ILE MD 1 31 PRO HA 3.200 . 3.500 2.499 1.979 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 30 GLN HA 1 31 PRO HD2 3.000 . 3.500 2.065 1.885 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 27 TYR H 1 32 MET H 4.600 . 5.300 4.293 3.871 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 25 LEU H 1 32 MET H 3.400 . 3.500 3.291 2.825 3.504 0.004 9 0 "[ . 1 . 2 . 3]" 1
285 1 32 MET H 1 34 PHE QE 4.200 . 5.300 3.799 3.147 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 31 PRO HA 1 32 MET H 2.700 . 3.500 2.236 2.212 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 32 MET H 1 32 MET HB2 3.000 . 3.500 2.735 2.445 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 32 MET H 1 32 MET HB3 3.600 . 5.300 3.520 3.157 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 32 MET H 1 32 MET ME 6.000 . 6.500 4.720 4.353 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 15 ILE MD 1 32 MET H 4.800 . 5.300 3.438 2.599 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 32 MET HA 1 32 MET HB2 2.900 . 3.500 2.891 2.754 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 32 MET HA 1 32 MET HB3 2.700 . 3.500 2.800 2.508 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 32 MET HA 1 33 THR MG 5.500 . 6.500 4.542 3.273 5.502 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 32 MET HA 1 33 THR H 4.000 . 5.300 2.388 2.223 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 32 MET QG 1 33 THR H 4.400 . 5.300 2.964 2.096 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 32 MET HB2 1 33 THR H 3.600 . 5.300 4.080 3.620 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 32 MET HB3 1 33 THR H 3.100 . 3.500 2.890 2.283 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 33 THR H 1 33 THR HB 3.500 . 5.300 2.969 2.434 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 33 THR H 1 87 ARG HB3 5.500 . 6.500 5.042 4.181 6.293 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 24 LYS HG2 1 33 THR H 5.400 . 6.500 4.947 4.007 5.759 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 24 LYS HG3 1 33 THR HA 3.700 . 5.300 4.412 3.899 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 33 THR HA 1 34 PHE H 2.500 . 2.700 2.245 2.185 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 24 LYS HA 1 34 PHE H 3.500 . 5.300 3.232 2.947 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 34 PHE H 1 34 PHE QD 3.200 . 3.500 2.808 2.367 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 23 VAL H 1 34 PHE H 3.500 . 5.300 3.058 2.456 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 25 LEU H 1 34 PHE H 4.000 . 5.300 3.866 3.445 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 34 PHE H 1 34 PHE HB3 3.500 . 5.300 3.632 3.525 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 34 PHE H 1 34 PHE HB2 3.000 . 3.500 2.390 2.239 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 23 VAL MG1 1 34 PHE H 6.000 . 6.500 5.344 5.153 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 23 VAL MG2 1 34 PHE H 4.500 . 5.300 3.249 2.811 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 33 THR MG 1 34 PHE H 4.900 . 5.300 3.422 1.856 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 THR MG 1 34 PHE H 5.500 . 6.500 3.988 3.078 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 24 LYS HG2 1 34 PHE H 4.500 . 5.300 4.572 4.123 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 34 PHE HA 1 34 PHE HB3 2.500 . 2.700 2.606 2.543 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 34 PHE QE 1 74 VAL QG 4.900 . 5.300 3.212 2.777 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 25 LEU MD1 1 34 PHE QE 5.000 . 5.300 3.806 2.944 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 34 PHE QE 1 90 ALA MB 4.400 . 5.300 2.780 2.227 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 25 LEU HB2 1 34 PHE QE 2.800 . 3.500 3.420 3.293 3.511 0.011 1 0 "[ . 1 . 2 . 3]" 1
319 1 32 MET HB2 1 34 PHE QE 2.700 . 3.500 3.322 2.691 3.507 0.007 25 0 "[ . 1 . 2 . 3]" 1
320 1 32 MET HB3 1 34 PHE QE 3.600 . 5.300 3.408 2.522 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 34 PHE HA 1 34 PHE QD 3.200 . 3.500 2.878 2.666 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 34 PHE HB2 1 34 PHE QD 2.800 . 3.500 2.422 2.349 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 34 PHE HB3 1 34 PHE QD 2.700 . 3.500 2.407 2.336 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 34 PHE QD 1 92 ILE HG13 5.500 . 6.500 4.857 4.107 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 34 PHE QD 1 74 VAL QG 5.800 . 6.500 3.449 2.994 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 34 PHE QD 1 92 ILE MD 5.300 . 6.500 4.166 3.757 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 25 LEU MD1 1 34 PHE QD 4.800 . 5.300 2.708 1.713 3.179 0.087 1 0 "[ . 1 . 2 . 3]" 1
328 1 34 PHE QD 1 90 ALA MB 4.200 . 5.300 2.732 2.142 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 25 LEU HB2 1 34 PHE QD 2.700 . 3.500 3.275 2.844 3.503 0.003 6 0 "[ . 1 . 2 . 3]" 1
330 1 25 LEU HB3 1 34 PHE QD 3.500 . 5.300 4.768 4.449 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 34 PHE QD 1 76 PHE QE 3.600 . 5.300 4.000 3.731 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 34 PHE HZ 1 74 VAL QG 5.500 . 5.500 3.413 2.889 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 27 TYR QB 1 34 PHE HZ 3.100 . 3.500 2.959 2.439 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 34 PHE HZ 1 76 PHE QE . . 3.500 3.316 3.136 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 34 PHE HZ 1 76 PHE HZ 3.000 . 3.500 2.125 1.867 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 27 TYR QB 1 34 PHE QE 3.400 . 3.500 2.939 2.439 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 34 PHE HB3 1 35 ARG H 3.200 . 3.500 2.990 2.613 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 34 PHE HB2 1 35 ARG H 4.000 . 5.300 4.149 3.935 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 34 PHE HA 1 35 ARG H 2.600 . 2.700 2.272 2.199 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 34 PHE QD 1 35 ARG H 4.000 . 5.300 3.567 3.043 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 35 ARG H 1 89 LEU H 4.700 . 5.300 5.121 4.799 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 35 ARG H 1 88 GLY H 4.100 . 5.300 4.363 4.037 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 35 ARG H 1 35 ARG QB 3.500 . 5.300 2.489 2.396 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 35 ARG H 1 89 LEU MD2 4.900 . 5.300 3.222 2.780 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 35 ARG HA 1 35 ARG HD3 4.900 . 5.300 3.464 2.213 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 35 ARG HA 1 36 LEU H 3.100 . 3.500 2.242 2.196 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 36 LEU H 1 36 LEU HB2 3.500 . 5.300 2.576 2.455 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 36 LEU H 1 36 LEU HG 2.600 . 2.700 2.108 1.886 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 35 ARG QB 1 36 LEU H 4.200 . 5.300 3.519 2.416 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 36 LEU H 1 36 LEU MD2 4.600 . 5.300 2.870 2.321 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 36 LEU HA 1 36 LEU HB2 3.000 . 3.500 3.033 3.028 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 36 LEU HA 1 36 LEU HB3 2.800 . 3.500 2.475 2.413 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 36 LEU HA 1 36 LEU HG 3.000 . 3.500 3.172 2.948 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 36 LEU HA 1 36 LEU MD2 3.500 . 5.300 1.865 1.790 1.942 0.010 17 0 "[ . 1 . 2 . 3]" 1
355 1 36 LEU HA 1 37 LEU H 3.200 . 3.500 2.207 2.189 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 37 LEU H 1 37 LEU HG 3.000 . 3.500 3.291 2.934 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 37 LEU H 1 37 LEU MD2 5.100 . 5.300 4.196 4.057 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 37 LEU H 1 37 LEU HB3 3.600 . 5.300 3.475 3.426 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 37 LEU H 1 37 LEU MD1 4.700 . 5.300 3.775 3.521 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 37 LEU H 1 37 LEU HB2 2.800 . 3.500 2.195 2.163 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 36 LEU MD2 1 37 LEU H 4.500 . 5.300 3.401 3.191 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 36 LEU MD1 1 37 LEU H 6.000 . 6.500 4.892 4.726 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 36 LEU HB2 1 37 LEU H 4.200 . 5.300 4.163 4.054 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 36 LEU HB3 1 37 LEU H 3.800 . 5.300 3.259 3.153 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 37 LEU H 1 38 LEU H 5.100 . 5.300 4.620 4.604 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 37 LEU H 1 100 ASN HD22 3.900 . 5.300 2.125 1.926 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 37 LEU HA 1 37 LEU MD2 4.400 . 5.300 2.168 1.853 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 37 LEU HA 1 37 LEU HB3 2.600 . 2.700 2.703 2.609 2.743 0.043 25 0 "[ . 1 . 2 . 3]" 1
369 1 37 LEU HA 1 89 LEU MD2 5.800 . 6.500 3.931 3.440 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 38 LEU H 1 39 VAL H 3.600 . 5.300 2.778 2.619 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 37 LEU HA 1 38 LEU H 3.100 . 3.500 2.314 2.245 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 38 LEU H 1 38 LEU HB3 4.000 . 5.300 4.089 3.896 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 38 LEU H 1 38 LEU HG 3.900 . 5.300 2.870 2.383 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 37 LEU HB3 1 38 LEU H 3.200 . 3.500 2.872 2.445 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 38 LEU H 1 38 LEU MD2 4.400 . 5.300 3.002 1.893 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 38 LEU H 1 38 LEU MD1 5.500 . 6.500 4.253 3.589 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 37 LEU MD1 1 38 LEU H 6.000 . 6.500 4.568 4.337 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 37 LEU MD2 1 38 LEU H 4.400 . 5.300 2.458 2.033 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 37 LEU HB2 1 38 LEU H 3.500 . 5.300 4.125 3.814 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 38 LEU HA 1 38 LEU HB3 2.900 . 3.500 2.478 2.348 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 38 LEU HA 1 38 LEU HB2 3.000 . 3.500 3.019 2.952 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 38 LEU HA 1 125 LEU MD1 6.000 . 6.500 4.184 3.822 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 39 VAL H 1 39 VAL MG2 3.700 . 5.300 2.589 2.191 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 39 VAL H 1 39 VAL MG1 4.000 . 5.300 2.697 2.078 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 38 LEU HA 1 39 VAL H 3.900 . 5.300 3.173 2.929 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 37 LEU HA 1 39 VAL H 4.200 . 5.300 3.356 3.150 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 38 LEU HB3 1 39 VAL H 3.600 . 5.300 4.361 3.033 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 39 VAL H 1 39 VAL HB 3.800 . 5.300 3.881 3.108 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 39 VAL H 1 40 ASP H 4.100 . 5.300 4.410 4.069 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 39 VAL H 1 100 ASN HD21 5.900 . 6.500 4.741 3.882 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 38 LEU MD2 1 39 VAL H 6.000 . 6.500 4.563 4.024 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 36 LEU HB3 1 39 VAL H 4.600 . 5.300 4.515 4.050 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 39 VAL HA 1 111 VAL HA 2.500 . 2.700 2.193 1.889 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 39 VAL HA 1 39 VAL HB 2.400 . 2.700 2.394 2.332 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 39 VAL HA 1 111 VAL QG 5.900 . 6.500 3.410 3.123 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 39 VAL HA 1 112 ALA MB 5.000 . 5.300 3.848 3.353 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 39 VAL HA 1 40 ASP H 2.600 . 2.700 2.404 2.181 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 40 ASP H 1 110 LYS H 2.900 . 3.500 2.847 2.442 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 40 ASP H 1 111 VAL HA 4.400 . 5.300 3.948 3.675 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 40 ASP H 1 40 ASP HB2 3.300 . 3.500 3.338 2.966 3.626 0.126 24 0 "[ . 1 . 2 . 3]" 1
401 1 40 ASP H 1 40 ASP HB3 3.000 . 3.500 2.942 2.554 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 39 VAL MG1 1 40 ASP H 4.500 . 5.300 3.893 2.215 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 39 VAL MG2 1 40 ASP H 4.000 . 5.300 3.053 1.755 3.968 0.045 9 0 "[ . 1 . 2 . 3]" 1
404 1 39 VAL HB 1 40 ASP H 2.900 . 3.500 2.819 2.215 3.670 0.170 19 0 "[ . 1 . 2 . 3]" 1
405 1 40 ASP H 1 109 ALA MB 4.500 . 5.300 3.079 2.473 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 40 ASP HA 1 40 ASP HB2 2.700 . 3.500 2.505 2.395 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 40 ASP HA 1 40 ASP HB3 2.900 . 3.500 2.983 2.325 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 40 ASP HA 1 41 THR H 3.000 . 3.500 2.236 2.190 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 35 ARG HD2 1 41 THR H 6.000 . 6.500 5.945 5.129 6.503 0.003 21 0 "[ . 1 . 2 . 3]" 1
410 1 41 THR HA 1 109 ALA HA 2.800 . 3.500 2.949 1.943 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 41 THR HA 1 41 THR HB 2.500 . 2.700 2.493 2.284 2.762 0.062 24 0 "[ . 1 . 2 . 3]" 1
412 1 41 THR HA 1 109 ALA MB 4.500 . 5.300 3.241 1.967 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 41 THR HA 1 103 LEU QB 5.400 . 6.500 5.735 5.074 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 41 THR HA 1 139 ILE MD 5.500 . 6.500 4.765 3.878 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 41 THR HA 1 42 PRO HB3 5.400 . 6.500 4.820 4.786 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 39 VAL MG2 1 41 THR HA 6.000 . 6.500 5.126 4.386 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 41 THR HB 1 58 ALA MB 5.000 . 5.300 3.368 1.920 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 41 THR HB 1 103 LEU MD2 5.600 . 6.500 5.001 3.870 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 41 THR HA 1 42 PRO HD3 3.500 . 3.500 2.070 1.942 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 41 THR HA 1 42 PRO HD2 3.000 . 3.500 2.516 2.290 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 44 THR H 1 45 LYS H 3.600 . 5.300 2.725 1.889 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 43 GLU QB 1 44 THR H 3.900 . 5.300 3.066 1.879 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 43 GLU QG 1 44 THR H 3.600 . 5.300 3.091 1.947 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 44 THR H 1 44 THR MG 4.500 . 5.300 2.956 2.042 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 44 THR H 1 45 LYS QG 5.800 . 6.500 4.058 2.271 5.642 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 44 THR H 1 45 LYS QD 5.900 . 6.500 4.659 2.297 5.678 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 44 THR H 1 45 LYS HA 5.300 . 6.500 4.509 4.075 5.508 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 44 THR HB 1 45 LYS H 4.500 . 5.300 4.402 3.568 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 44 THR HA 1 45 LYS H 3.100 . 3.500 2.723 2.168 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 43 GLU QG 1 45 LYS H 4.400 . 5.300 3.752 2.327 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 44 THR MG 1 45 LYS H 5.400 . 6.500 4.074 3.391 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 45 LYS H 1 45 LYS QG 4.500 . 5.300 3.165 1.741 4.207 0.059 1 0 "[ . 1 . 2 . 3]" 1
433 1 45 LYS H 1 45 LYS QB 3.500 . 5.300 2.395 2.101 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 45 LYS H 1 51 VAL MG2 5.300 . 6.500 4.243 2.935 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 46 HIS H 1 46 HIS HB3 3.400 . 3.500 3.438 3.121 3.579 0.079 15 0 "[ . 1 . 2 . 3]" 1
436 1 46 HIS H 1 46 HIS HB2 3.300 . 3.500 2.456 2.092 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 45 LYS HA 1 46 HIS H 3.500 . 5.300 3.177 2.510 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 46 HIS H 1 46 HIS HA 3.000 . 3.500 2.883 2.358 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 45 LYS QG 1 46 HIS H 4.600 . 5.300 4.121 2.257 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 45 LYS QD 1 46 HIS H 5.800 . 6.500 4.855 3.894 5.850 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 45 LYS H 1 46 HIS H 3.000 . 3.500 2.875 2.005 3.514 0.014 15 0 "[ . 1 . 2 . 3]" 1
442 1 46 HIS H 1 47 PRO HD3 5.000 . 5.300 4.135 2.167 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 46 HIS HA 1 46 HIS HB3 2.700 . 3.500 2.753 2.354 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 46 HIS HA 1 46 HIS HB2 2.600 . 3.500 2.892 2.505 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 46 HIS HA 1 47 PRO HD3 3.000 . 3.500 2.160 1.866 3.638 0.138 1 0 "[ . 1 . 2 . 3]" 1
446 1 46 HIS HA 1 46 HIS HD2 3.400 . 3.500 2.718 1.965 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 46 HIS HB3 1 46 HIS HD2 3.300 . 3.500 3.170 2.800 3.526 0.026 18 0 "[ . 1 . 2 . 3]" 1
448 1 46 HIS HB2 1 46 HIS HD2 3.800 . 5.300 3.961 3.874 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 48 LYS H 1 49 LYS H 3.000 . 3.500 2.586 1.877 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 49 LYS H 1 49 LYS HA 3.000 . 3.500 2.872 2.350 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 48 LYS HA 1 49 LYS H 4.000 . 5.300 3.357 2.381 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 49 LYS H 1 50 GLY H 5.500 . 6.500 2.715 1.877 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 48 LYS HG2 1 49 LYS H 5.000 . 5.300 4.258 2.304 5.311 0.011 20 0 "[ . 1 . 2 . 3]" 1
454 1 50 GLY H 1 51 VAL H 4.000 . 5.300 4.577 4.215 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 50 GLY H 1 50 GLY HA3 3.000 . 3.500 2.895 2.772 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 50 GLY H 1 50 GLY HA2 2.800 . 3.500 2.366 2.342 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 46 HIS HB2 1 50 GLY H 5.500 . 6.500 4.884 2.361 6.530 0.030 1 0 "[ . 1 . 2 . 3]" 1
458 1 48 LYS HB2 1 50 GLY H 5.600 . 6.500 5.380 3.452 6.482 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 49 LYS HA 1 50 GLY H 5.000 . 5.300 3.205 2.332 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 51 VAL H 1 51 VAL QG 3.900 . 5.300 2.324 1.825 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 50 GLY HA3 1 51 VAL H 2.400 . 2.700 2.505 2.187 2.713 0.013 2 0 "[ . 1 . 2 . 3]" 1
462 1 50 GLY HA2 1 51 VAL H 3.100 . 3.500 2.770 2.506 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 51 VAL H 1 51 VAL HB 2.700 . 3.500 2.937 2.682 3.585 0.085 17 0 "[ . 1 . 2 . 3]" 1
464 1 51 VAL HA 1 51 VAL HB 3.000 . 3.500 2.926 2.420 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 51 VAL HB 1 52 GLU H 3.500 . 5.300 3.247 1.873 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 52 GLU H 1 52 GLU HG3 3.300 . 3.500 2.974 2.094 3.510 0.010 9 0 "[ . 1 . 2 . 3]" 1
467 1 52 GLU H 1 52 GLU HG2 3.700 . 5.300 3.382 1.968 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 51 VAL HA 1 52 GLU H 2.900 . 3.500 2.811 2.191 3.543 0.043 4 0 "[ . 1 . 2 . 3]" 1
469 1 53 LYS HG3 1 54 TYR QE 3.600 . 5.300 4.073 2.684 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 54 TYR QE 1 108 LEU QD 5.900 . 6.500 4.436 1.883 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 54 TYR QE 1 138 ASN HB2 4.400 . 5.300 4.093 3.029 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 54 TYR QE 1 138 ASN HA 2.900 . 3.500 2.644 1.890 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 54 TYR QE 1 138 ASN HB3 3.000 . 3.500 2.793 1.966 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 54 TYR HA 1 54 TYR QE 5.900 . 6.500 4.572 4.137 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 54 TYR QD 1 139 ILE MD 5.800 . 6.500 4.630 4.107 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 54 TYR QD 1 139 ILE MG 6.000 . 6.500 4.473 3.336 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 54 TYR QD 1 108 LEU QD 5.200 . 5.300 3.857 3.144 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 54 TYR QD 1 138 ASN HB3 4.000 . 5.300 3.132 2.264 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 54 TYR QD 1 138 ASN HA 4.100 . 5.300 4.084 2.826 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 54 TYR HA 1 54 TYR QD 2.800 . 3.500 2.529 1.855 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 54 TYR QD 1 139 ILE HB 5.300 . 6.500 5.762 5.139 6.247 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 54 TYR QD 1 139 ILE QG 5.100 . 5.300 3.397 2.703 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 53 LYS HG2 1 54 TYR QD 5.000 . 5.300 4.093 2.673 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 42 PRO HB3 1 54 TYR QD 5.400 . 6.500 5.245 3.812 6.253 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 42 PRO HB2 1 54 TYR QD 5.300 . 6.500 4.984 3.179 6.201 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 54 TYR HA 1 55 GLY H 3.000 . 3.500 2.930 2.187 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 54 TYR H 1 55 GLY H 3.100 . 3.500 2.644 1.901 3.535 0.035 3 0 "[ . 1 . 2 . 3]" 1
488 1 52 GLU H 1 55 GLY H 5.100 . 5.300 4.580 3.751 5.303 0.003 11 0 "[ . 1 . 2 . 3]" 1
489 1 51 VAL MG1 1 55 GLY H 5.500 . 6.500 4.186 1.864 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 53 LYS HB2 1 55 GLY H 5.700 . 6.500 5.032 4.274 6.531 0.031 3 0 "[ . 1 . 2 . 3]" 1
491 1 55 GLY H 1 56 PRO QG 5.500 . 6.500 4.446 3.815 5.812 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 55 GLY QA 1 56 PRO QD 4.500 . 5.300 1.972 1.834 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 58 ALA H 1 59 SER H 2.700 . 3.500 2.709 2.469 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 58 ALA H 1 60 ALA H 4.100 . 5.300 4.363 3.726 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 58 ALA H 1 61 PHE H 4.500 . 5.300 4.651 4.366 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 58 ALA H 1 108 LEU QD . . 5.300 3.169 2.541 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 58 ALA HA 1 61 PHE HB3 3.200 . 3.500 2.614 2.227 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 58 ALA HA 1 61 PHE HB2 3.900 . 5.300 2.721 2.107 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 58 ALA HA 1 108 LEU QD 5.200 . 5.300 2.338 1.854 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 59 SER H 1 59 SER HB3 3.500 . 5.300 2.686 2.130 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 58 ALA MB 1 59 SER H 4.700 . 5.300 2.536 2.214 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 59 SER H 1 60 ALA H 2.700 . 3.500 2.876 2.647 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 59 SER H 1 60 ALA MB 5.900 . 6.500 4.505 4.265 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 59 SER H 1 61 PHE H 4.500 . 5.300 3.962 3.702 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 44 THR MG 1 59 SER H 5.300 . 6.500 4.228 1.902 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 60 ALA H 1 60 ALA HA 2.700 . 3.500 2.876 2.838 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 60 ALA H 1 60 ALA MB 3.500 . 3.500 2.171 2.051 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 60 ALA H 1 61 PHE HB2 4.300 . 5.300 4.869 4.670 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 59 SER HA 1 60 ALA H 3.800 . 5.300 3.571 3.447 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 59 SER HB3 1 60 ALA H 4.500 . 5.300 3.156 2.236 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 60 ALA H 1 61 PHE H 2.300 . 2.700 2.591 2.394 2.703 0.003 2 0 "[ . 1 . 2 . 3]" 1
512 1 60 ALA H 1 62 THR H 4.500 . 5.300 4.796 4.077 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 60 ALA HA 1 63 LYS HB2 3.000 . 3.500 2.395 1.875 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 61 PHE H 1 61 PHE HB2 2.700 . 3.500 2.499 2.317 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 61 PHE H 1 61 PHE HB3 2.800 . 3.500 2.625 2.434 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 61 PHE H 1 61 PHE HA 2.800 . 3.500 2.842 2.778 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 60 ALA HA 1 61 PHE H 3.200 . 3.500 3.501 3.412 3.558 0.058 12 0 "[ . 1 . 2 . 3]" 1
518 1 60 ALA MB 1 61 PHE H 3.700 . 5.300 2.785 2.430 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 61 PHE H 1 108 LEU QD 5.200 . 5.300 4.080 3.659 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 61 PHE H 1 103 LEU MD2 5.900 . 6.500 4.774 4.358 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 61 PHE HA 1 61 PHE HB2 2.400 . 2.700 2.501 2.407 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 61 PHE HA 1 61 PHE HB3 2.900 . 3.500 3.028 3.013 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 61 PHE HB2 1 61 PHE QD 2.700 . 3.500 2.431 2.320 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 61 PHE HB3 1 61 PHE QD 2.700 . 3.500 2.407 2.316 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 61 PHE HA 1 61 PHE QD 3.400 . 3.500 2.832 2.489 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 61 PHE H 1 61 PHE QD 4.400 . 5.300 4.176 4.069 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 61 PHE QD 1 108 LEU QD 4.300 . 5.300 2.713 1.965 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 61 PHE QD 1 103 LEU MD2 4.300 . 5.300 2.317 1.858 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 61 PHE QD 1 103 LEU HG 2.900 . 3.500 2.901 2.247 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 61 PHE QD 1 102 ALA MB 6.000 . 6.500 4.169 3.563 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 61 PHE QD 1 62 THR HA 3.000 . 3.500 3.028 2.493 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 61 PHE QD 1 103 LEU MD1 5.800 . 6.500 3.604 3.054 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 61 PHE QD 1 103 LEU QB 5.300 . 6.500 4.662 4.137 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 61 PHE QE 1 108 LEU QD 5.000 . 5.300 3.594 2.857 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 61 PHE QE 1 103 LEU MD2 5.200 . 5.300 3.555 2.941 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 61 PHE QE 1 103 LEU QB 5.500 . 6.500 4.600 4.087 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 61 PHE HB3 1 61 PHE QE 4.700 . 5.300 4.445 4.418 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 61 PHE HB2 1 61 PHE QE 4.600 . 5.300 4.452 4.421 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 61 PHE QE 1 62 THR HA 3.800 . 5.300 4.322 3.661 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 61 PHE QE 1 102 ALA HA 5.100 . 5.300 4.619 4.119 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 61 PHE QE 1 102 ALA MB 3.900 . 5.300 2.195 1.864 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 61 PHE QE 1 103 LEU MD1 5.300 . 6.500 3.762 2.707 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 61 PHE QE 1 103 LEU HG 3.100 . 3.500 2.675 2.008 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 61 PHE HA 1 61 PHE QE 5.900 . 6.500 4.547 4.397 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 62 THR H 1 62 THR HA 2.700 . 3.500 2.875 2.819 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 61 PHE HB3 1 62 THR H 2.800 . 3.500 2.104 1.871 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 61 PHE HB2 1 62 THR H 3.500 . 5.300 3.573 3.441 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 61 PHE HA 1 62 THR H 2.800 . 3.500 3.567 3.549 3.574 0.074 23 0 "[ . 1 . 2 . 3]" 1
549 1 62 THR H 1 62 THR HB 2.700 . 3.500 2.603 2.363 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 61 PHE QD 1 62 THR H 2.900 . 3.500 2.850 2.334 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 62 THR H 1 63 LYS H 2.600 . 3.500 2.593 2.449 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 62 THR H 1 64 LYS H 4.000 . 5.300 4.911 4.294 5.301 0.001 5 0 "[ . 1 . 2 . 3]" 1
553 1 61 PHE H 1 62 THR H 2.800 . 3.500 2.954 2.605 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 62 THR H 1 63 LYS HB2 5.000 . 5.300 4.703 4.410 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 60 ALA MB 1 62 THR H 5.400 . 6.500 5.019 4.645 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 62 THR H 1 62 THR MG 4.200 . 5.300 3.607 2.270 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 62 THR H 1 103 LEU MD2 4.600 . 5.300 3.402 3.076 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 62 THR H 1 103 LEU MD1 5.400 . 6.500 4.793 4.160 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 62 THR H 1 108 LEU QD 5.300 . 6.500 4.764 4.318 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 62 THR HA 1 65 MET HB3 2.700 . 3.500 2.619 1.871 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 61 PHE HB2 1 62 THR HA 5.500 . 6.500 5.600 5.566 5.649 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 62 THR HA 1 62 THR HB 2.900 . 3.500 2.979 2.575 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 63 LYS H 1 63 LYS HA 2.700 . 3.500 2.855 2.789 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 62 THR HA 1 63 LYS H 2.700 . 3.500 3.464 3.393 3.532 0.032 26 0 "[ . 1 . 2 . 3]" 1
565 1 61 PHE HA 1 63 LYS H 3.800 . 5.300 4.142 3.952 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 63 LYS H 1 65 MET H 3.700 . 5.300 3.711 3.529 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 63 LYS H 1 63 LYS HB2 2.500 . 2.700 2.381 2.116 2.720 0.020 25 0 "[ . 1 . 2 . 3]" 1
568 1 63 LYS H 1 63 LYS HD2 3.600 . 5.300 4.806 3.977 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 63 LYS H 1 63 LYS HD3 4.500 . 5.300 4.927 3.879 5.315 0.015 3 0 "[ . 1 . 2 . 3]" 1
570 1 62 THR MG 1 63 LYS H 4.200 . 5.300 3.735 2.346 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 63 LYS H 1 63 LYS HG3 3.700 . 5.300 4.359 3.904 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 63 LYS H 1 63 LYS HB3 3.500 . 5.300 2.777 2.386 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 63 LYS H 1 63 LYS HG2 3.900 . 5.300 4.479 3.897 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 60 ALA HA 1 63 LYS H 3.100 . 3.500 3.339 3.121 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 62 THR HB 1 63 LYS H 5.000 . 5.300 3.145 2.681 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 63 LYS HA 1 63 LYS HB2 2.300 . 2.700 2.584 2.406 2.759 0.059 11 0 "[ . 1 . 2 . 3]" 1
577 1 63 LYS HA 1 63 LYS HB3 3.000 . 3.500 3.004 2.928 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 63 LYS HA 1 67 GLU HG2 4.500 . 5.300 4.704 3.716 5.301 0.001 23 0 "[ . 1 . 2 . 3]" 1
579 1 63 LYS HA 1 63 LYS HG2 3.000 . 3.500 2.858 1.963 3.526 0.026 5 0 "[ . 1 . 2 . 3]" 1
580 1 63 LYS HA 1 66 VAL HB 5.400 . 6.500 5.843 5.105 6.235 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 63 LYS HA 1 63 LYS QD 4.500 . 5.300 3.606 2.449 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 63 LYS HA 1 64 LYS H 3.100 . 3.500 3.567 3.556 3.573 0.073 2 0 "[ . 1 . 2 . 3]" 1
583 1 64 LYS H 1 64 LYS HA 2.700 . 3.500 2.877 2.802 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 61 PHE HA 1 64 LYS H 3.600 . 5.300 4.193 3.862 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 63 LYS HG3 1 64 LYS H 3.500 . 5.300 4.433 3.662 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 63 LYS HB3 1 64 LYS H 3.200 . 3.500 2.102 1.860 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 64 LYS H 1 64 LYS HG2 4.500 . 5.300 4.220 1.986 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 64 LYS H 1 64 LYS HD3 2.900 . 3.500 3.233 2.146 3.513 0.013 11 0 "[ . 1 . 2 . 3]" 1
589 1 64 LYS H 1 64 LYS HB2 2.100 . 2.700 2.234 2.079 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 63 LYS H 1 64 LYS H 2.900 . 3.500 2.923 2.655 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 63 LYS HB2 1 64 LYS H 3.500 . 5.300 3.433 3.028 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 64 LYS HA 1 64 LYS HG2 3.500 . 5.300 3.175 2.703 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.500 2.921 2.758 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 62 THR HA 1 65 MET H 3.700 . 5.300 3.368 3.047 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 65 MET H 1 65 MET HA 2.800 . 3.500 2.852 2.798 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 64 LYS HA 1 65 MET H 3.500 . 5.300 3.496 3.441 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 65 MET H 1 65 MET QG 3.500 . 5.300 3.676 3.052 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 65 MET H 1 66 VAL MG2 5.700 . 6.500 3.890 3.547 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 65 MET H 1 66 VAL MG1 5.900 . 6.500 4.643 4.194 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 62 THR MG 1 65 MET H 5.900 . 6.500 4.544 4.225 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 64 LYS HG2 1 65 MET H 3.700 . 5.300 5.240 4.290 5.346 0.046 14 0 "[ . 1 . 2 . 3]" 1
602 1 63 LYS HB3 1 65 MET H 5.000 . 5.300 4.428 4.143 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 63 LYS HB2 1 65 MET H 5.400 . 6.500 5.256 4.767 5.783 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 64 LYS HB2 1 65 MET H 2.700 . 3.500 3.224 2.805 3.521 0.021 27 0 "[ . 1 . 2 . 3]" 1
605 1 65 MET H 1 65 MET HB2 3.000 . 3.500 2.251 2.084 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 61 PHE HA 1 65 MET H 3.700 . 5.300 4.395 4.069 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 64 LYS H 1 65 MET H 2.600 . 3.500 2.583 2.360 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 65 MET H 1 66 VAL H 2.800 . 3.500 3.049 2.742 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 65 MET HA 1 65 MET HB3 2.900 . 3.500 2.911 2.725 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 65 MET HA 1 65 MET HB2 2.700 . 3.500 2.730 2.396 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 65 MET HA 1 66 VAL MG1 5.900 . 6.500 4.862 4.673 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 66 VAL H 1 66 VAL MG2 3.700 . 5.300 2.099 1.845 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 66 VAL H 1 66 VAL MG1 3.800 . 5.300 2.148 1.847 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 65 MET HB3 1 66 VAL H 2.500 . 2.700 2.097 1.854 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 65 MET HB2 1 66 VAL H 4.000 . 5.300 3.043 2.427 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 65 MET QG 1 66 VAL H 5.000 . 5.300 3.684 2.453 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 17 ALA MB 1 66 VAL H 6.000 . 6.500 4.997 4.496 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 66 VAL H 1 66 VAL HB 3.600 . 5.300 3.614 3.579 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 64 LYS H 1 66 VAL H 3.600 . 5.300 5.012 4.424 5.316 0.016 9 0 "[ . 1 . 2 . 3]" 1
620 1 65 MET HA 1 66 VAL H 3.000 . 3.500 3.561 3.546 3.573 0.073 27 0 "[ . 1 . 2 . 3]" 1
621 1 63 LYS HA 1 66 VAL H 3.600 . 5.300 4.402 3.947 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 62 THR HA 1 66 VAL H 3.400 . 3.500 3.394 3.102 3.538 0.038 29 0 "[ . 1 . 2 . 3]" 1
623 1 62 THR MG 1 66 VAL H 5.200 . 5.300 3.294 2.655 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 66 VAL H 1 66 VAL HA 2.900 . 3.500 2.848 2.814 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 66 VAL H 1 67 GLU H 2.600 . 3.500 2.685 2.464 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 66 VAL HA 1 66 VAL HB 2.200 . 2.700 2.481 2.392 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 66 VAL HA 1 69 ALA MB 4.800 . 5.300 1.987 1.830 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 66 VAL HA 1 94 ALA MB 5.000 . 5.300 3.196 2.522 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 67 GLU H 1 67 GLU HB3 3.500 . 5.300 3.531 3.455 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 67 GLU H 1 67 GLU HB2 2.600 . 2.700 2.221 2.134 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 66 VAL HB 1 67 GLU H 3.500 . 5.300 3.904 3.671 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 67 GLU H 1 67 GLU HG2 3.600 . 5.300 3.336 2.576 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 67 GLU H 1 67 GLU HG3 2.800 . 3.500 3.227 2.681 3.522 0.022 21 0 "[ . 1 . 2 . 3]" 1
634 1 63 LYS HA 1 67 GLU H 3.500 . 5.300 4.239 3.973 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 64 LYS HA 1 67 GLU H 3.900 . 5.300 3.558 3.248 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 67 GLU H 1 67 GLU HA 2.700 . 3.500 2.869 2.831 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 67 GLU H 1 68 ASN H 2.600 . 2.700 2.632 2.450 2.716 0.016 23 0 "[ . 1 . 2 . 3]" 1
638 1 65 MET H 1 67 GLU H 3.900 . 5.300 3.721 3.541 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 66 VAL MG1 1 67 GLU H 4.500 . 5.300 3.947 3.735 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 66 VAL MG2 1 67 GLU H 3.900 . 5.300 2.009 1.850 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 66 VAL HA 1 67 GLU H 3.900 . 5.300 3.502 3.404 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 63 LYS HB3 1 67 GLU H 5.700 . 6.500 5.801 5.609 6.034 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 14 LEU MD1 1 67 GLU H 5.400 . 6.500 4.732 3.658 5.276 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 14 LEU HG 1 67 GLU H 5.500 . 6.500 5.340 4.256 6.519 0.019 13 0 "[ . 1 . 2 . 3]" 1
645 1 65 MET HA 1 68 ASN H 3.900 . 5.300 3.771 3.509 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 67 GLU HA 1 68 ASN H 3.000 . 3.500 3.530 3.506 3.558 0.058 4 0 "[ . 1 . 2 . 3]" 1
647 1 68 ASN H 1 68 ASN HB2 2.500 . 2.700 2.402 2.203 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 68 ASN H 1 68 ASN HB3 3.500 . 5.300 3.626 3.454 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 67 GLU HB3 1 68 ASN H 3.200 . 3.500 3.425 3.142 3.516 0.016 23 0 "[ . 1 . 2 . 3]" 1
650 1 67 GLU HB2 1 68 ASN H 2.900 . 3.500 2.905 2.585 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 66 VAL MG2 1 68 ASN H 5.800 . 6.500 4.276 4.078 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 68 ASN H 1 69 ALA MB 5.300 . 6.500 3.902 3.667 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 67 GLU HG3 1 68 ASN H 3.700 . 5.300 4.936 4.666 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 67 GLU HG2 1 68 ASN H 3.800 . 5.300 4.844 4.578 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 66 VAL HA 1 68 ASN H 4.800 . 5.300 4.160 3.955 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 66 VAL H 1 68 ASN H 4.100 . 5.300 4.342 4.080 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 68 ASN H 1 68 ASN HD21 3.500 . 5.300 3.478 2.466 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 68 ASN H 1 68 ASN HD22 4.000 . 5.300 4.434 3.890 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 64 LYS HG2 1 68 ASN HD21 4.400 . 5.300 4.048 2.990 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 68 ASN HB3 1 68 ASN HD21 3.500 . 5.300 3.263 2.635 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 64 LYS HA 1 68 ASN HD21 4.200 . 5.300 3.887 2.887 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 68 ASN HB3 1 68 ASN HD22 3.900 . 5.300 3.949 3.662 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 64 LYS HA 1 68 ASN HD22 4.500 . 5.300 4.186 3.309 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 66 VAL HA 1 69 ALA H 3.300 . 3.500 3.071 2.831 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 68 ASN HA 1 69 ALA H 2.700 . 3.500 3.333 3.225 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 65 MET HA 1 69 ALA H 4.000 . 5.300 4.586 4.353 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 67 GLU HA 1 69 ALA H 3.500 . 5.300 4.088 3.776 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 68 ASN HB2 1 69 ALA H 3.500 . 5.300 3.495 3.219 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 68 ASN HB3 1 69 ALA H 4.000 . 5.300 4.116 3.680 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 69 ALA H 1 72 ILE MD 6.000 . 6.500 4.411 3.842 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 69 ALA H 1 72 ILE HG13 4.400 . 5.300 5.203 4.970 5.327 0.027 12 0 "[ . 1 . 2 . 3]" 1
672 1 68 ASN H 1 69 ALA H 2.800 . 3.500 2.261 2.098 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 67 GLU H 1 69 ALA H 3.700 . 5.300 3.727 3.527 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 70 LYS H 1 70 LYS HA 2.700 . 3.500 2.898 2.867 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 69 ALA HA 1 70 LYS H 3.600 . 5.300 2.211 2.187 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 70 LYS H 1 95 ASP H 4.200 . 5.300 4.291 3.138 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 70 LYS H 1 70 LYS HB3 3.500 . 5.300 3.589 2.866 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 70 LYS H 1 70 LYS HB2 3.000 . 3.500 2.559 2.223 3.563 0.063 3 0 "[ . 1 . 2 . 3]" 1
679 1 70 LYS H 1 70 LYS HG2 3.100 . 3.500 2.824 1.928 3.509 0.009 18 0 "[ . 1 . 2 . 3]" 1
680 1 70 LYS H 1 70 LYS QD 5.000 . 5.300 3.997 1.955 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 69 ALA MB 1 70 LYS H 4.000 . 5.300 3.284 2.798 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 70 LYS H 1 70 LYS HG3 2.900 . 3.500 2.648 1.894 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 69 ALA H 1 70 LYS H 5.400 . 6.500 4.496 4.266 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 70 LYS HA 1 70 LYS HB3 2.500 . 2.700 2.470 2.332 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 70 LYS HA 1 70 LYS HB2 2.700 . 3.500 3.011 2.600 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 70 LYS HA 1 71 LYS H 3.300 . 3.500 3.480 3.337 3.564 0.064 14 0 "[ . 1 . 2 . 3]" 1
687 1 71 LYS H 1 71 LYS QD 5.100 . 5.300 4.238 2.411 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 71 LYS H 1 71 LYS HB2 2.700 . 3.500 2.732 2.408 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 71 LYS H 1 71 LYS HB3 3.600 . 5.300 3.813 3.574 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 71 LYS H 1 71 LYS HG2 3.500 . 5.300 3.998 3.098 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 69 ALA MB 1 71 LYS H 4.000 . 5.300 3.052 2.734 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 70 LYS H 1 71 LYS H 2.800 . 3.500 2.523 2.145 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 70 LYS HB2 1 71 LYS H 2.800 . 3.500 2.983 2.335 3.518 0.018 3 0 "[ . 1 . 2 . 3]" 1
694 1 71 LYS HA 1 72 ILE HG13 4.400 . 5.300 4.116 3.749 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 71 LYS HA 1 71 LYS HG2 3.500 . 5.300 2.671 2.107 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 72 ILE H 1 72 ILE HG12 4.300 . 5.300 4.322 3.907 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 71 LYS HA 1 72 ILE H 3.400 . 3.500 2.198 2.183 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 12 ALA H 1 72 ILE H 3.600 . 5.300 3.992 3.761 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 72 ILE H 1 72 ILE HG13 3.300 . 3.500 3.142 2.756 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 71 LYS HG2 1 72 ILE H 4.500 . 5.300 4.538 4.033 5.314 0.014 12 0 "[ . 1 . 2 . 3]" 1
701 1 71 LYS HB3 1 72 ILE H 3.300 . 3.500 3.399 3.105 3.522 0.022 7 0 "[ . 1 . 2 . 3]" 1
702 1 72 ILE H 1 72 ILE HB 2.600 . 2.700 2.603 2.394 2.716 0.016 29 0 "[ . 1 . 2 . 3]" 1
703 1 72 ILE HA 1 72 ILE HB 2.800 . 3.500 3.033 3.024 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 72 ILE HA 1 94 ALA HA 2.700 . 3.500 2.979 2.600 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 69 ALA MB 1 72 ILE HA 5.600 . 6.500 3.764 3.455 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 72 ILE HA 1 94 ALA MB 5.400 . 6.500 3.846 3.359 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 12 ALA MB 1 72 ILE MG 5.400 . 6.500 2.284 1.763 2.759 0.037 24 0 "[ . 1 . 2 . 3]" 1
708 1 72 ILE MG 1 73 GLU H 3.700 . 5.300 2.771 2.408 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 73 GLU H 1 93 TYR HB2 3.200 . 3.500 3.225 2.905 3.515 0.015 1 0 "[ . 1 . 2 . 3]" 1
710 1 72 ILE HA 1 73 GLU H 2.500 . 2.700 2.203 2.188 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 73 GLU H 1 74 VAL QG 5.400 . 6.500 4.294 4.043 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 72 ILE HB 1 73 GLU H 3.900 . 5.300 4.318 4.096 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 73 GLU H 1 93 TYR QD 4.100 . 5.300 4.581 4.239 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 73 GLU H 1 92 ILE HA 4.400 . 5.300 4.662 4.279 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 72 ILE HG13 1 73 GLU H 4.500 . 5.300 4.619 4.363 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 73 GLU H 1 73 GLU QB 3.700 . 5.300 2.657 2.386 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 12 ALA MB 1 73 GLU HA 4.900 . 5.300 3.051 2.564 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 72 ILE HB 1 73 GLU HA 3.800 . 5.300 4.778 4.646 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 11 PRO HA 1 73 GLU HA 2.600 . 2.700 2.463 2.119 2.717 0.017 10 0 "[ . 1 . 2 . 3]" 1
720 1 9 LYS HB3 1 73 GLU HA 5.300 . 6.500 5.310 4.787 5.741 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 10 GLU H 1 74 VAL H 3.100 . 3.500 3.234 2.729 3.521 0.021 7 0 "[ . 1 . 2 . 3]" 1
722 1 73 GLU HA 1 74 VAL H 2.800 . 3.500 2.269 2.192 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 9 LYS HA 1 74 VAL H 4.200 . 5.300 4.858 4.080 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 11 PRO HA 1 74 VAL H 4.100 . 5.300 4.028 3.647 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 73 GLU QB 1 74 VAL H 3.800 . 5.300 2.973 2.231 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 74 VAL H 1 74 VAL HB 3.600 . 5.300 3.699 3.610 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 73 GLU H 1 74 VAL H 4.700 . 5.300 4.409 4.267 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 74 VAL HA 1 92 ILE MD 5.700 . 6.500 5.142 4.573 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 25 LEU MD1 1 74 VAL QG 4.500 . 5.300 2.575 2.289 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 72 ILE MG 1 74 VAL QG 6.000 . 6.500 3.100 2.843 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 74 VAL QG 1 90 ALA MB 5.700 . 6.500 2.969 2.656 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 74 VAL QG 1 92 ILE HG13 5.900 . 6.500 3.738 3.033 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 75 GLU H 1 93 TYR QE 3.600 . 5.300 3.689 2.880 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 75 GLU H 1 93 TYR QD 4.000 . 5.300 3.828 3.267 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 75 GLU H 1 90 ALA MB 3.900 . 5.300 2.362 2.014 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 74 VAL QG 1 75 GLU H 4.400 . 5.300 3.371 2.987 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 74 VAL HB 1 75 GLU H 2.900 . 3.500 2.878 2.258 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 75 GLU H 1 75 GLU QB 2.900 . 3.500 2.552 2.363 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 75 GLU H 1 93 TYR H 4.600 . 5.300 5.190 4.759 5.315 0.015 14 0 "[ . 1 . 2 . 3]" 1
740 1 75 GLU H 1 90 ALA HA 5.400 . 6.500 4.354 3.888 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 75 GLU H 1 92 ILE HA 4.000 . 5.300 3.761 3.510 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 74 VAL HA 1 75 GLU H 4.000 . 5.300 2.327 2.197 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 75 GLU HA 1 75 GLU HG3 3.000 . 3.500 2.455 2.258 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 75 GLU HA 1 75 GLU HG2 4.100 . 5.300 3.117 2.362 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 9 LYS HA 1 75 GLU HA 3.000 . 3.500 2.721 2.150 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 76 PHE H 1 76 PHE HB2 2.700 . 3.500 2.468 2.347 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 75 GLU HA 1 76 PHE H 2.500 . 2.700 2.297 2.203 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 76 PHE H 1 76 PHE QD 2.800 . 3.500 2.333 1.868 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 76 PHE H 1 90 ALA MB 4.800 . 5.300 3.020 2.501 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 76 PHE H 1 76 PHE QE 6.000 . 6.500 4.179 3.806 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 76 PHE H 1 76 PHE HB3 3.500 . 5.300 3.615 3.593 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 74 VAL QG 1 76 PHE H 5.400 . 6.500 3.777 3.189 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 74 VAL HB 1 76 PHE H 4.800 . 5.300 4.377 4.044 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 75 GLU QB 1 76 PHE H 3.700 . 5.300 4.025 3.899 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 76 PHE HA 1 76 PHE HB2 2.800 . 3.500 3.032 3.014 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 76 PHE HA 1 76 PHE HB3 2.700 . 3.500 2.517 2.461 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 74 VAL QG 1 76 PHE QE 4.800 . 6.500 2.535 1.849 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 76 PHE QE 1 90 ALA MB 5.900 . 6.500 3.213 2.515 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 32 MET ME 1 76 PHE QE 6.000 . 6.500 3.657 2.999 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 76 PHE QE 1 88 GLY HA2 3.600 . 5.300 3.604 3.193 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 76 PHE QE 1 88 GLY HA3 3.100 . 3.500 3.295 2.949 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 74 VAL HB 1 76 PHE QE 4.800 . 5.300 4.158 3.664 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 76 PHE HB2 1 76 PHE QE 4.700 . 5.300 4.436 4.416 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 76 PHE HA 1 76 PHE QD 2.600 . 3.500 2.698 2.207 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 76 PHE QD 1 81 ARG HG2 3.300 . 3.500 2.871 2.101 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 76 PHE QD 1 81 ARG HB2 4.200 . 5.300 4.615 4.131 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 76 PHE HB3 1 76 PHE QD 2.700 . 3.500 2.476 2.376 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 76 PHE HB2 1 76 PHE QD 2.700 . 3.500 2.373 2.301 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 76 PHE QD 1 90 ALA MB 5.700 . 6.500 2.676 2.132 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 74 VAL QG 1 76 PHE QD 5.800 . 6.500 3.479 3.070 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 74 VAL QG 1 76 PHE HZ 5.900 . 6.500 3.260 2.773 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 32 MET ME 1 76 PHE HZ 5.000 . 5.300 4.028 3.567 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 34 PHE QE 1 76 PHE HZ 2.700 . 3.500 2.551 2.240 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 76 PHE HZ 1 90 ALA MB 5.900 . 6.500 4.132 3.676 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 76 PHE QD 1 77 ASP H 3.600 . 5.300 3.826 3.283 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 37 LEU MD1 1 77 ASP H 4.700 . 5.300 3.557 3.117 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 76 PHE HB2 1 77 ASP H 3.800 . 5.300 4.080 3.607 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 76 PHE HB3 1 77 ASP H 3.400 . 3.500 3.049 2.478 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 77 ASP H 1 77 ASP HB2 3.500 . 3.500 2.296 2.104 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 76 PHE HA 1 77 ASP H 3.500 . 3.500 2.267 2.195 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 77 ASP H 1 118 ASN HA 5.500 . 6.500 5.893 5.168 6.480 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 77 ASP H 1 89 LEU HB2 5.500 . 6.500 4.942 3.999 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 77 ASP HA 1 118 ASN HA 5.500 . 6.500 5.339 4.505 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 77 ASP HA 1 77 ASP HB3 3.000 . 3.500 2.902 2.264 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 77 ASP HA 1 77 ASP HB2 2.700 . 3.500 2.756 2.649 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 37 LEU MD1 1 77 ASP HA 5.500 . 6.500 4.945 4.185 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 77 ASP HA 1 78 LYS HD3 4.200 . 5.300 4.838 3.888 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 77 ASP HA 1 78 LYS HD2 5.800 . 6.500 4.495 3.406 6.172 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 77 ASP HA 1 78 LYS HB3 4.100 . 5.300 4.721 4.550 5.309 0.009 2 0 "[ . 1 . 2 . 3]" 1
790 1 77 ASP HA 1 78 LYS HB2 5.500 . 6.500 5.940 5.840 6.046 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 7 LEU MD1 1 77 ASP HA 3.300 . 3.500 2.304 1.862 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 7 LEU MD2 1 77 ASP HA 3.100 . 3.500 2.392 1.852 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 7 LEU HB2 1 77 ASP HA 5.800 . 6.500 5.223 4.306 6.008 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 77 ASP HA 1 120 THR H 5.500 . 6.500 5.507 4.763 5.848 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 77 ASP HA 1 120 THR MG 5.900 . 6.500 4.891 4.045 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 78 LYS H 1 78 LYS HB2 4.000 . 5.300 3.644 3.369 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 78 LYS H 1 78 LYS HB3 3.300 . 3.500 2.843 2.611 3.520 0.020 2 0 "[ . 1 . 2 . 3]" 1
798 1 77 ASP HA 1 78 LYS H 3.500 . 3.500 2.752 2.579 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 77 ASP HB3 1 78 LYS H 3.500 . 3.500 2.380 1.988 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 78 LYS H 1 79 GLY H 2.700 . 3.500 2.337 2.172 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 78 LYS H 1 78 LYS QE 5.000 . 5.300 4.121 3.694 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 78 LYS H 1 78 LYS HD3 3.000 . 3.500 2.681 1.996 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 78 LYS H 1 78 LYS HD2 3.900 . 5.300 2.604 1.880 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 78 LYS H 1 78 LYS HG3 3.900 . 5.300 3.452 1.843 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 78 LYS H 1 78 LYS HG2 5.000 . 5.300 2.331 1.869 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 78 LYS HA 1 78 LYS HB3 2.600 . 2.700 2.452 2.251 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 7 LEU MD2 1 78 LYS HA 4.600 . 5.300 3.418 2.494 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 78 LYS HA 1 78 LYS HD3 4.300 . 5.300 4.789 3.640 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 78 LYS HA 1 78 LYS HD2 4.700 . 5.300 4.150 3.643 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 78 LYS HA 1 79 GLY H 3.600 . 5.300 3.373 3.166 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 78 LYS HB2 1 79 GLY H 4.000 . 5.300 4.142 3.772 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 78 LYS HD2 1 79 GLY H 5.500 . 6.500 4.411 3.109 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 78 LYS HD3 1 79 GLY H 5.000 . 5.300 3.943 2.083 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 77 ASP HB3 1 79 GLY H 3.200 . 3.500 2.259 2.021 3.527 0.027 22 0 "[ . 1 . 2 . 3]" 1
815 1 77 ASP HB2 1 79 GLY H 4.800 . 5.300 3.763 2.003 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 79 GLY H 1 79 GLY HA3 2.900 . 3.500 2.379 2.351 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 79 GLY H 1 118 ASN HA 3.300 . 3.500 3.378 3.093 3.518 0.018 6 0 "[ . 1 . 2 . 3]" 1
818 1 79 GLY H 1 119 ASN H 5.500 . 6.500 5.405 4.983 5.716 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 80 GLN H 1 80 GLN HB2 3.000 . 3.500 2.626 2.258 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 80 GLN H 1 80 GLN HB3 3.500 . 5.300 3.619 3.562 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 80 GLN H 1 80 GLN QG 3.000 . 3.500 2.166 1.808 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 79 GLY HA3 1 80 GLN H 2.500 . 2.700 2.283 2.186 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 79 GLY HA2 1 80 GLN H 3.300 . 3.500 3.037 2.817 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 80 GLN H 1 81 ARG H 4.400 . 5.300 4.640 4.548 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 81 ARG H 1 82 THR H 2.500 . 2.700 2.098 1.858 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 80 GLN HA 1 81 ARG H 2.400 . 2.700 2.468 2.240 2.711 0.011 29 0 "[ . 1 . 2 . 3]" 1
827 1 80 GLN HB2 1 81 ARG H 3.500 . 5.300 3.470 2.996 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 80 GLN HB3 1 81 ARG H 3.200 . 3.500 2.526 1.940 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 80 GLN QG 1 81 ARG H 4.900 . 5.300 4.167 3.740 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 81 ARG H 1 81 ARG HB2 2.600 . 2.700 2.522 2.339 2.706 0.006 8 0 "[ . 1 . 2 . 3]" 1
831 1 81 ARG H 1 81 ARG HB3 3.600 . 5.300 3.479 2.587 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 81 ARG H 1 81 ARG QG 3.500 . 5.300 3.202 2.230 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 81 ARG H 1 82 THR MG 5.500 . 6.500 4.148 3.503 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 80 GLN HB3 1 82 THR H 2.900 . 3.500 2.689 2.212 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 80 GLN QG 1 82 THR H 5.500 . 6.500 4.660 4.351 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 81 ARG HA 1 82 THR H 3.200 . 3.500 3.364 3.222 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 82 THR H 1 82 THR MG 4.300 . 5.300 3.198 2.555 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 81 ARG HB2 1 82 THR H 3.600 . 5.300 3.567 3.144 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 82 THR H 1 89 LEU MD1 4.700 . 5.300 3.694 2.974 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 81 ARG QG 1 82 THR H 5.400 . 6.500 4.377 4.122 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 82 THR H 1 82 THR HB 3.800 . 5.300 3.851 3.606 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 81 ARG HB3 1 82 THR H 4.100 . 5.300 3.912 3.084 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 80 GLN HB2 1 82 THR H 3.500 . 3.500 3.308 2.748 3.512 0.012 2 0 "[ . 1 . 2 . 3]" 1
844 1 82 THR HA 1 82 THR HB 2.400 . 2.700 2.543 2.316 2.744 0.044 29 0 "[ . 1 . 2 . 3]" 1
845 1 82 THR HA 1 88 GLY HA2 2.500 . 2.700 2.576 2.245 2.723 0.023 6 0 "[ . 1 . 2 . 3]" 1
846 1 82 THR HA 1 88 GLY HA3 4.200 . 5.300 4.323 4.009 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 82 THR HA 1 86 GLY HA2 4.700 . 5.300 4.982 4.528 5.317 0.017 28 0 "[ . 1 . 2 . 3]" 1
848 1 82 THR HA 1 89 LEU HG 2.900 . 3.500 2.825 2.283 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 82 THR HA 1 89 LEU HB2 4.000 . 5.300 4.251 3.795 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 82 THR HA 1 89 LEU QD 5.000 . 5.300 3.149 2.440 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 32 MET ME 1 82 THR HA 6.000 . 6.500 4.255 3.739 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 82 THR HA 1 83 ASP H 2.600 . 3.500 2.376 2.213 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 82 THR HB 1 83 ASP H 3.000 . 3.500 2.758 2.142 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 83 ASP H 1 83 ASP HB3 3.200 . 3.500 3.244 2.773 3.502 0.002 15 0 "[ . 1 . 2 . 3]" 1
855 1 83 ASP H 1 83 ASP HB2 4.000 . 5.300 2.559 2.164 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 83 ASP H 1 89 LEU HG 3.200 . 3.500 3.331 2.774 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 82 THR MG 1 83 ASP H 4.400 . 5.300 3.673 3.039 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 83 ASP H 1 89 LEU QD 5.400 . 6.500 2.994 1.984 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 83 ASP H 1 87 ARG H 2.700 . 3.500 3.004 2.425 3.508 0.008 25 0 "[ . 1 . 2 . 3]" 1
860 1 83 ASP HA 1 83 ASP HB2 3.000 . 3.500 2.810 2.433 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 83 ASP HA 1 89 LEU MD1 4.000 . 5.300 2.892 2.184 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 84 LYS H 1 84 LYS HG3 3.000 . 3.500 3.040 1.849 3.501 0.001 26 0 "[ . 1 . 2 . 3]" 1
863 1 84 LYS H 1 84 LYS HG2 2.700 . 3.500 1.998 1.859 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 83 ASP HB3 1 84 LYS H 3.600 . 5.300 2.292 1.872 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 83 ASP HB2 1 84 LYS H 2.700 . 3.500 3.205 1.867 3.581 0.081 22 0 "[ . 1 . 2 . 3]" 1
866 1 83 ASP HA 1 84 LYS H 4.400 . 5.300 2.766 2.618 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 84 LYS H 1 84 LYS QB 3.400 . 3.500 2.611 2.457 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 84 LYS HA 1 84 LYS QB 2.300 . 2.700 2.202 2.196 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 84 LYS HA 1 84 LYS HG2 3.600 . 5.300 3.590 2.769 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 85 TYR H 1 85 TYR HB2 3.200 . 3.500 2.403 2.249 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 84 LYS HG3 1 85 TYR H 3.400 . 3.500 2.895 2.180 3.529 0.029 12 0 "[ . 1 . 2 . 3]" 1
872 1 84 LYS HG2 1 85 TYR H 3.500 . 5.300 2.971 1.895 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 85 TYR H 1 85 TYR QD 3.200 . 3.500 2.453 1.878 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 84 LYS H 1 85 TYR H 2.800 . 3.500 2.538 2.466 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 85 TYR H 1 85 TYR HB3 3.500 . 5.300 3.631 3.555 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 84 LYS HA 1 85 TYR H 2.600 . 3.500 3.445 3.293 3.549 0.049 29 0 "[ . 1 . 2 . 3]" 1
877 1 85 TYR H 1 87 ARG H 3.800 . 5.300 3.463 3.089 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 84 LYS QB 1 85 TYR H 3.900 . 5.300 3.573 2.703 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 85 TYR HA 1 85 TYR HB3 2.500 . 2.700 2.535 2.448 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 85 TYR HB2 1 85 TYR QD 2.700 . 3.500 2.424 2.303 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 85 TYR HB3 1 85 TYR QD 2.800 . 3.500 2.429 2.312 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 85 TYR HA 1 85 TYR QD 2.700 . 3.500 2.808 2.151 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 84 LYS QG 1 85 TYR QD 5.500 . 6.500 2.474 1.816 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 84 LYS QB 1 85 TYR QD 5.500 . 6.500 4.183 3.029 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 85 TYR HA 1 85 TYR QE 4.700 . 5.300 4.497 4.319 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 84 LYS QE 1 85 TYR QE 4.600 . 5.300 2.753 1.772 4.266 0.028 20 0 "[ . 1 . 2 . 3]" 1
887 1 86 GLY H 1 86 GLY HA2 2.900 . 3.500 2.370 2.355 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 85 TYR HB2 1 86 GLY H 4.000 . 5.300 3.544 3.179 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 85 TYR HB3 1 86 GLY H 4.300 . 5.300 4.211 4.005 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 86 GLY H 1 87 ARG H 2.900 . 3.500 2.485 2.287 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 86 GLY H 1 87 ARG HA 5.900 . 6.500 5.175 5.039 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 84 LYS HA 1 86 GLY H 4.200 . 5.300 3.590 3.418 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 82 THR HB 1 86 GLY H 4.000 . 5.300 4.013 3.607 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 82 THR MG 1 87 ARG H 6.000 . 6.500 4.614 3.607 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 87 ARG H 1 87 ARG HB2 3.200 . 3.500 2.602 2.175 3.511 0.011 28 0 "[ . 1 . 2 . 3]" 1
896 1 82 THR HA 1 87 ARG H 4.700 . 5.300 4.682 4.123 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 87 ARG H 1 87 ARG HA 2.700 . 3.500 2.923 2.844 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 86 GLY HA3 1 87 ARG H 4.800 . 5.300 3.381 3.203 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 86 GLY HA2 1 87 ARG H 3.900 . 5.300 3.183 2.950 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 87 ARG H 1 87 ARG HB3 3.600 . 5.300 3.620 3.404 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 85 TYR HB3 1 87 ARG H 4.300 . 5.300 3.810 3.064 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 82 THR HB 1 87 ARG H 4.200 . 5.300 4.095 3.444 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 87 ARG H 1 87 ARG HG2 4.400 . 5.300 3.166 1.963 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 87 ARG H 1 87 ARG HG3 4.400 . 5.300 2.406 1.879 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 33 THR MG 1 87 ARG HA 5.400 . 6.500 3.892 2.017 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 87 ARG HA 1 87 ARG HG3 4.000 . 5.300 3.210 2.038 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 87 ARG HA 1 87 ARG HG2 3.100 . 3.500 2.600 2.146 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 88 GLY H 1 88 GLY HA3 3.000 . 3.500 2.376 2.346 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 34 PHE HA 1 88 GLY H 3.200 . 3.500 2.840 2.718 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 87 ARG HA 1 88 GLY H 3.300 . 3.500 2.291 2.212 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 34 PHE HB3 1 88 GLY H 4.900 . 5.300 5.301 5.172 5.348 0.048 3 0 "[ . 1 . 2 . 3]" 1
912 1 87 ARG HG2 1 88 GLY H 4.300 . 5.300 4.415 3.538 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 82 THR MG 1 88 GLY H 5.900 . 6.500 4.118 3.505 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 87 ARG HB2 1 88 GLY H 4.100 . 5.300 3.866 2.769 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 34 PHE QD 1 88 GLY H 4.700 . 5.300 4.283 4.002 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 88 GLY H 1 89 LEU H 4.400 . 5.300 4.573 4.405 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 34 PHE H 1 88 GLY H 5.200 . 5.300 4.667 4.357 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 32 MET ME 1 88 GLY H 3.400 . 3.500 2.553 2.088 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 76 PHE QE 1 88 GLY H 5.800 . 6.500 5.605 5.299 5.825 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 82 THR HA 1 89 LEU H 3.100 . 3.500 2.935 2.375 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 76 PHE QE 1 89 LEU H 3.100 . 3.500 3.463 3.248 3.509 0.009 2 0 "[ . 1 . 2 . 3]" 1
922 1 82 THR H 1 89 LEU H 4.200 . 5.300 4.564 4.095 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 88 GLY HA2 1 89 LEU H 2.800 . 3.500 2.232 2.189 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 88 GLY HA3 1 89 LEU H 3.500 . 3.500 3.150 2.872 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 89 LEU H 1 89 LEU HB2 2.900 . 3.500 2.648 2.488 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 89 LEU H 1 89 LEU HG 3.000 . 3.500 2.481 2.098 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 89 LEU H 1 89 LEU HB3 3.600 . 5.300 3.750 3.682 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 82 THR MG 1 89 LEU H 5.600 . 6.500 3.589 3.221 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 76 PHE QD 1 89 LEU H 4.200 . 5.300 3.735 3.335 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 37 LEU HG 1 89 LEU HA 3.400 . 3.500 3.242 3.031 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 89 LEU HA 1 89 LEU HB3 2.500 . 2.700 2.425 2.375 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 89 LEU MD2 1 90 ALA H 4.900 . 5.300 3.810 3.342 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 37 LEU HG 1 90 ALA H 3.000 . 3.500 3.293 2.955 3.512 0.012 24 0 "[ . 1 . 2 . 3]" 1
934 1 89 LEU HA 1 90 ALA H 2.700 . 3.500 2.186 2.176 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 37 LEU MD1 1 90 ALA H 5.000 . 5.300 2.691 2.271 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 89 LEU HG 1 90 ALA H 4.900 . 5.300 5.056 4.766 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 89 LEU HB2 1 90 ALA H 4.100 . 5.300 4.230 4.114 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 34 PHE QE 1 90 ALA H 5.100 . 5.300 4.871 4.586 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 37 LEU H 1 90 ALA H 3.500 . 5.300 4.233 3.886 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 89 LEU HB3 1 90 ALA H 3.400 . 3.500 3.518 3.433 3.564 0.064 26 0 "[ . 1 . 2 . 3]" 1
941 1 37 LEU MD1 1 90 ALA HA 4.800 . 5.300 2.437 1.909 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 37 LEU MD1 1 90 ALA MB 5.500 . 6.500 3.654 3.316 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 75 GLU H 1 91 TYR H 3.200 . 3.500 2.865 2.293 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 75 GLU QB 1 91 TYR H 4.000 . 5.300 2.855 2.380 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 91 TYR H 1 91 TYR HB3 3.600 . 5.300 3.659 3.621 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 37 LEU MD1 1 91 TYR H 4.900 . 5.300 3.872 3.517 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 90 ALA MB 1 91 TYR H 4.000 . 5.300 2.551 2.007 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 90 ALA HA 1 91 TYR H 3.400 . 3.500 2.415 2.260 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 38 LEU MD1 1 91 TYR QE 4.300 . 5.300 2.250 1.849 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 37 LEU MD1 1 91 TYR QE 5.800 . 6.500 3.494 2.873 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 91 TYR QE 1 121 HIS HB2 3.100 . 3.500 2.924 1.934 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 38 LEU HB2 1 91 TYR QE 4.000 . 5.300 3.363 2.491 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 91 TYR QE 1 120 THR MG 5.700 . 6.500 4.237 2.676 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 37 LEU HB3 1 91 TYR QE 2.900 . 3.500 3.204 2.087 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 37 LEU HB2 1 91 TYR QE 3.500 . 5.300 3.282 2.240 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 38 LEU HG 1 91 TYR QE 3.500 . 5.300 3.257 2.121 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 7 LEU MD1 1 91 TYR QE 5.500 . 6.500 3.081 2.115 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 77 ASP HB3 1 91 TYR QE 3.800 . 5.300 4.154 2.003 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 77 ASP HB2 1 91 TYR QE 3.000 . 3.500 3.122 2.560 3.520 0.020 22 0 "[ . 1 . 2 . 3]" 1
960 1 91 TYR QE 1 121 HIS HD2 3.600 . 5.300 3.522 2.346 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 77 ASP HA 1 91 TYR QE 2.900 . 3.500 3.077 2.658 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 92 ILE H 1 92 ILE MD 5.300 . 6.500 3.576 3.347 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 92 ILE H 1 92 ILE HG13 3.300 . 3.500 2.254 1.919 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 92 ILE H 1 92 ILE HG12 3.800 . 5.300 3.520 3.055 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 92 ILE H 1 92 ILE HB 2.600 . 2.700 2.530 2.368 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 92 ILE H 1 100 ASN HD22 4.200 . 5.300 3.492 3.026 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 92 ILE H 1 100 ASN HB2 4.600 . 5.300 5.226 4.895 5.319 0.019 26 0 "[ . 1 . 2 . 3]" 1
968 1 36 LEU MD2 1 92 ILE H 4.800 . 5.300 3.003 2.566 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 92 ILE HA 1 92 ILE HB 2.600 . 3.500 3.031 3.022 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 74 VAL HA 1 92 ILE HA 2.700 . 3.500 2.433 1.968 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 92 ILE HA 1 92 ILE HG13 2.700 . 3.500 3.020 2.632 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 92 ILE HA 1 92 ILE HG12 2.500 . 2.700 2.578 2.392 2.716 0.016 29 0 "[ . 1 . 2 . 3]" 1
973 1 93 TYR H 1 93 TYR QD 2.800 . 3.500 2.899 2.614 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 73 GLU H 1 93 TYR H 3.000 . 3.500 2.881 2.495 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 92 ILE HA 1 93 TYR H 2.800 . 3.500 2.261 2.203 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 93 TYR H 1 93 TYR HB2 3.200 . 3.500 2.623 2.504 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 93 TYR H 1 99 VAL MG2 5.900 . 6.500 3.666 3.198 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 92 ILE HG12 1 93 TYR H 4.300 . 5.300 4.380 4.154 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 92 ILE MG 1 93 TYR H 3.600 . 5.300 2.170 1.837 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 92 ILE MD 1 93 TYR H 5.800 . 6.500 4.904 4.702 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 74 VAL QG 1 93 TYR H 5.700 . 6.500 3.998 3.426 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 92 ILE HB 1 93 TYR H 3.500 . 5.300 3.976 3.743 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 93 TYR H 1 98 MET HA 4.900 . 5.300 5.184 4.999 5.306 0.006 22 0 "[ . 1 . 2 . 3]" 1
984 1 93 TYR H 1 93 TYR HB3 3.800 . 5.300 3.784 3.700 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 93 TYR HA 1 98 MET HA 2.500 . 2.700 2.606 2.379 2.729 0.029 19 0 "[ . 1 . 2 . 3]" 1
986 1 93 TYR HA 1 93 TYR HB3 2.700 . 2.700 2.532 2.455 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 93 TYR HA 1 93 TYR HB2 3.000 . 3.500 3.028 3.005 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 92 ILE MG 1 93 TYR QD 5.500 . 6.500 4.426 4.221 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 92 ILE HG13 1 93 TYR QD 5.500 . 6.500 5.971 5.732 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 93 TYR QD 1 98 MET HB3 5.000 . 5.300 4.568 4.106 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 93 TYR QD 1 98 MET HB2 3.600 . 5.300 3.328 2.770 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 93 TYR QD 1 98 MET ME 5.800 . 6.500 4.655 3.803 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 93 TYR QD 1 97 LYS HB3 5.000 . 5.300 5.115 4.890 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 93 TYR QD 1 96 GLY HA2 4.000 . 5.300 4.407 3.601 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 93 TYR QD 1 98 MET HA 2.900 . 3.500 2.480 2.039 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 93 TYR QD 1 97 LYS HA 3.500 . 5.300 3.626 3.261 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 9 LYS QE 1 93 TYR QD 3.500 . 5.300 3.275 2.629 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 92 ILE HA 1 93 TYR QD 3.000 . 3.500 3.360 3.116 3.510 0.010 30 0 "[ . 1 . 2 . 3]" 1
999 1 9 LYS HG3 1 93 TYR QD 5.400 . 6.500 5.787 5.084 6.311 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 93 TYR HB3 1 93 TYR QD 3.000 . 3.500 2.400 2.358 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 93 TYR HB2 1 93 TYR QD 3.100 . 3.500 2.426 2.376 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 93 TYR HA 1 93 TYR QD 2.900 . 3.500 2.904 2.751 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 74 VAL HA 1 93 TYR QD 5.000 . 5.300 3.504 2.759 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 73 GLU QB 1 93 TYR QD 5.500 . 6.500 3.705 3.232 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 91 TYR HB3 1 93 TYR QE 2.900 . 3.500 3.019 2.631 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 93 TYR QE 1 98 MET ME 4.500 . 5.300 3.009 1.874 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 93 TYR QE 1 98 MET HB2 2.700 . 3.500 2.216 1.859 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 75 GLU QB 1 93 TYR QE 2.500 . 2.700 2.038 1.738 2.509 0.062 29 0 "[ . 1 . 2 . 3]" 1
1009 1 91 TYR HA 1 93 TYR QE 4.600 . 5.300 4.531 4.214 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 75 GLU HA 1 93 TYR QE 4.400 . 5.300 4.654 4.137 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 93 TYR QD 1 94 ALA H 3.800 . 5.300 4.084 3.418 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 94 ALA H 1 99 VAL MG2 4.500 . 5.300 2.528 1.960 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 94 ALA H 1 94 ALA MB 3.000 . 3.500 2.435 2.262 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 92 ILE MG 1 94 ALA H 5.800 . 6.500 4.279 3.817 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 93 TYR HA 1 94 ALA H 2.700 . 3.500 2.220 2.184 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 93 TYR HB3 1 94 ALA H 3.500 . 3.500 3.292 2.477 3.525 0.025 18 0 "[ . 1 . 2 . 3]" 1
1017 1 93 TYR HB2 1 94 ALA H 4.100 . 5.300 4.240 3.725 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 94 ALA H 1 99 VAL H 4.900 . 5.300 3.378 2.923 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 72 ILE MD 1 94 ALA HA 5.800 . 6.500 5.066 4.517 5.456 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 72 ILE HG12 1 94 ALA HA 3.500 . 5.300 4.489 3.350 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 69 ALA MB 1 94 ALA HA 4.000 . 5.300 2.925 2.540 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 94 ALA H 1 95 ASP H 4.000 . 5.300 4.336 3.943 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 95 ASP H 1 96 GLY H 2.500 . 2.700 2.628 2.540 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 71 LYS H 1 95 ASP H 3.100 . 3.500 3.085 2.297 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 95 ASP H 1 97 LYS H 4.100 . 5.300 4.157 3.947 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 94 ALA HA 1 95 ASP H 2.700 . 3.500 2.205 2.187 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 95 ASP H 1 95 ASP HB2 4.100 . 5.300 3.536 3.281 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 95 ASP H 1 95 ASP HB3 4.100 . 5.300 4.118 4.090 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 94 ALA MB 1 95 ASP H 4.300 . 5.300 3.180 3.006 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 69 ALA MB 1 95 ASP H 4.600 . 5.300 3.277 2.576 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 71 LYS HB2 1 95 ASP H 3.500 . 5.300 3.335 2.383 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 72 ILE HA 1 95 ASP H 4.200 . 5.300 4.307 3.898 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 71 LYS HG2 1 95 ASP H 5.300 . 6.500 5.858 5.028 6.504 0.004 5 0 "[ . 1 . 2 . 3]" 1
1034 1 95 ASP HA 1 95 ASP HB3 2.600 . 2.700 2.526 2.405 2.733 0.033 17 0 "[ . 1 . 2 . 3]" 1
1035 1 96 GLY H 1 97 LYS H 2.800 . 3.500 2.403 2.170 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 96 GLY H 1 96 GLY HA2 2.900 . 3.500 2.382 2.347 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 95 ASP HB3 1 96 GLY H 4.500 . 5.300 4.386 4.101 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 95 ASP HA 1 96 GLY H 3.500 . 5.300 3.087 2.866 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 94 ALA HA 1 96 GLY H 4.200 . 5.300 3.503 3.304 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 71 LYS HB2 1 96 GLY H 3.900 . 5.300 4.386 2.829 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 71 LYS HB3 1 96 GLY H 5.300 . 6.500 5.303 4.385 6.312 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 94 ALA MB 1 96 GLY H 6.000 . 6.500 4.363 4.173 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 93 TYR QD 1 96 GLY H 5.400 . 6.500 5.118 4.335 5.755 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 97 LYS H 1 97 LYS HB2 2.700 . 3.500 2.705 2.327 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 97 LYS H 1 97 LYS QG 3.900 . 5.300 4.088 3.877 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 96 GLY HA2 1 97 LYS H 3.100 . 3.500 3.117 2.984 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 96 GLY HA3 1 97 LYS H 3.800 . 5.300 3.430 3.209 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 94 ALA H 1 97 LYS H 3.200 . 3.500 2.900 2.067 3.504 0.004 3 0 "[ . 1 . 2 . 3]" 1
1049 1 93 TYR QD 1 97 LYS H 5.000 . 5.300 3.988 3.413 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 97 LYS H 1 97 LYS HB3 3.100 . 3.500 3.037 2.760 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 94 ALA MB 1 97 LYS H 4.500 . 5.300 4.084 3.682 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 97 LYS H 1 97 LYS QE 5.700 . 6.500 5.157 3.966 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 97 LYS HA 1 97 LYS HB3 3.000 . 3.500 2.960 2.836 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 97 LYS HA 1 97 LYS HB2 3.000 . 3.500 2.706 2.521 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 97 LYS HA 1 98 MET H 3.300 . 3.500 2.336 2.189 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 98 MET H 1 98 MET HB3 4.000 . 5.300 2.585 2.437 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 98 MET H 1 98 MET HB2 2.600 . 2.700 2.604 2.347 2.717 0.017 23 0 "[ . 1 . 2 . 3]" 1
1058 1 98 MET H 1 98 MET QG 4.000 . 5.300 4.006 3.971 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 98 MET H 1 98 MET ME 5.500 . 6.500 4.521 3.876 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 97 LYS QG 1 98 MET H 4.300 . 5.300 2.441 1.865 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 97 LYS HB3 1 98 MET H 3.800 . 5.300 3.444 2.796 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 97 LYS HB2 1 98 MET H 4.900 . 5.300 4.214 4.003 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 98 MET H 1 98 MET HA 3.000 . 3.500 2.915 2.830 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 98 MET H 1 101 GLU H 4.700 . 5.300 4.919 4.711 5.305 0.005 6 0 "[ . 1 . 2 . 3]" 1
1065 1 98 MET H 1 101 GLU HB2 5.500 . 6.500 4.760 4.205 5.723 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 98 MET H 1 102 ALA H 5.000 . 5.300 5.185 4.890 5.319 0.019 8 0 "[ . 1 . 2 . 3]" 1
1067 1 98 MET H 1 99 VAL H 4.800 . 5.300 4.399 4.270 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 93 TYR QE 1 98 MET H 3.800 . 5.300 3.870 2.825 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 93 TYR QD 1 98 MET H 3.300 . 3.500 3.370 2.915 3.514 0.014 14 0 "[ . 1 . 2 . 3]" 1
1070 1 93 TYR HA 1 98 MET H 4.500 . 5.300 4.762 4.611 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 98 MET HA 1 98 MET HB2 2.500 . 2.700 2.510 2.423 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 98 MET HA 1 99 VAL H 3.100 . 3.500 2.209 2.186 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 93 TYR HA 1 99 VAL H 3.700 . 5.300 2.444 2.037 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 99 VAL H 1 102 ALA H 4.700 . 5.300 4.751 4.572 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 99 VAL H 1 100 ASN H 3.300 . 3.500 2.781 2.605 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 99 VAL H 1 99 VAL HB 3.100 . 3.500 2.605 2.421 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 99 VAL H 1 99 VAL MG1 4.500 . 5.300 3.763 3.724 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 99 VAL H 1 99 VAL MG2 3.600 . 5.300 2.100 1.840 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 92 ILE MG 1 99 VAL H 5.300 . 6.500 4.146 3.724 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 97 LYS HG2 1 99 VAL H 6.000 . 6.500 5.887 4.897 6.503 0.003 15 0 "[ . 1 . 2 . 3]" 1
1081 1 94 ALA MB 1 99 VAL H 6.000 . 6.500 4.305 4.023 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 99 VAL HA 1 102 ALA H 4.500 . 5.300 3.240 3.032 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 99 VAL HA 1 99 VAL HB 3.000 . 3.500 3.031 3.011 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 99 VAL HA 1 102 ALA MB 4.400 . 5.300 2.297 1.904 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 98 MET HG3 1 100 ASN H 3.000 . 3.500 2.898 2.054 3.507 0.007 5 0 "[ . 1 . 2 . 3]" 1
1086 1 99 VAL HA 1 100 ASN H 3.500 . 5.300 3.557 3.539 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 98 MET HA 1 100 ASN H 3.800 . 5.300 3.840 3.658 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 100 ASN H 1 102 ALA H 4.300 . 5.300 3.974 3.775 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 92 ILE H 1 100 ASN H 3.900 . 5.300 4.183 3.888 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 36 LEU MD2 1 100 ASN H 4.900 . 5.300 3.579 3.124 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 92 ILE HB 1 100 ASN H 4.100 . 5.300 4.295 4.105 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 36 LEU HB3 1 100 ASN H 4.800 . 5.300 5.204 4.726 5.319 0.019 6 0 "[ . 1 . 2 . 3]" 1
1093 1 99 VAL HB 1 100 ASN H 2.600 . 2.700 2.587 2.409 2.702 0.002 7 0 "[ . 1 . 2 . 3]" 1
1094 1 99 VAL MG2 1 100 ASN H 4.600 . 5.300 3.789 3.551 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 99 VAL MG1 1 100 ASN H 4.200 . 5.300 3.529 3.105 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 100 ASN H 1 100 ASN HB3 3.500 . 5.300 3.618 3.608 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 100 ASN H 1 100 ASN HB2 3.200 . 3.500 2.605 2.543 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 100 ASN H 1 100 ASN HA 2.900 . 3.500 2.831 2.798 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 100 ASN HA 1 100 ASN HB3 2.500 . 2.700 2.455 2.415 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 100 ASN HA 1 103 LEU H 4.900 . 6.500 3.665 3.381 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 36 LEU HB3 1 100 ASN HD21 3.600 . 5.300 2.678 1.963 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 36 LEU QD 1 100 ASN HD21 5.000 . 5.300 3.148 2.606 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 37 LEU HB3 1 100 ASN HD21 4.100 . 5.300 4.916 4.590 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 37 LEU H 1 100 ASN HD21 4.700 . 5.300 2.814 2.313 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 92 ILE H 1 100 ASN HD21 5.600 . 6.500 4.877 4.450 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 36 LEU QD 1 100 ASN HD22 4.900 . 5.300 2.150 1.847 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 36 LEU HB3 1 100 ASN HD22 3.800 . 5.300 2.573 2.199 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 36 LEU HB2 1 100 ASN HD22 5.700 . 6.500 4.103 3.746 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 37 LEU HB3 1 100 ASN HD22 4.200 . 5.300 5.122 4.591 5.317 0.017 3 0 "[ . 1 . 2 . 3]" 1
1110 1 92 ILE HB 1 100 ASN HD22 4.600 . 5.300 5.099 4.571 5.308 0.008 22 0 "[ . 1 . 2 . 3]" 1
1111 1 101 GLU H 1 102 ALA MB 5.600 . 6.500 4.222 4.008 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 101 GLU H 1 101 GLU HB3 2.700 . 3.500 2.692 2.356 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 98 MET HB2 1 101 GLU H 3.700 . 5.300 4.143 4.022 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 98 MET ME 1 101 GLU H 4.700 . 5.300 3.810 2.551 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 101 GLU H 1 125 LEU MD2 5.300 . 6.500 3.425 2.886 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 101 GLU H 1 101 GLU QG 3.900 . 5.300 3.940 3.804 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 101 GLU H 1 101 GLU HB2 2.900 . 3.500 2.460 2.221 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 100 ASN HB2 1 101 GLU H 3.100 . 3.500 2.486 2.164 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 100 ASN HB3 1 101 GLU H 3.700 . 5.300 3.624 3.303 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 100 ASN HA 1 101 GLU H 3.500 . 5.300 3.566 3.529 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 101 GLU H 1 101 GLU HA 3.000 . 3.500 2.878 2.828 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 101 GLU H 1 102 ALA H 2.600 . 2.700 2.578 2.412 2.714 0.014 6 0 "[ . 1 . 2 . 3]" 1
1123 1 100 ASN H 1 101 GLU H 3.100 . 3.500 2.817 2.638 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 99 VAL H 1 101 GLU H 5.600 . 6.500 4.372 4.021 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 101 GLU HA 1 125 LEU MD2 4.100 . 5.300 2.613 2.302 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 101 GLU HA 1 101 GLU HB3 3.000 . 3.500 3.014 2.974 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 101 GLU HA 1 101 GLU QG 3.500 . 5.300 2.268 2.035 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 101 GLU HB3 1 102 ALA H 2.900 . 3.500 2.916 2.649 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 99 VAL MG1 1 102 ALA H 5.900 . 6.500 4.246 3.993 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 102 ALA H 1 125 LEU MD2 6.000 . 6.500 5.028 4.598 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 101 GLU HB2 1 102 ALA H 3.500 . 5.300 3.920 3.732 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 101 GLU HA 1 102 ALA H 2.900 . 3.500 3.499 3.437 3.543 0.043 18 0 "[ . 1 . 2 . 3]" 1
1133 1 102 ALA H 1 102 ALA HA 2.900 . 3.500 2.864 2.836 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 102 ALA H 1 103 LEU HA 5.400 . 6.500 5.354 5.252 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 61 PHE QE 1 102 ALA H 4.700 . 5.300 5.047 4.637 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 102 ALA H 1 103 LEU H 2.900 . 3.500 2.707 2.570 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 102 ALA HA 1 105 ARG QB 3.600 . 5.300 2.652 2.178 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 101 GLU H 1 103 LEU H 4.300 . 5.300 4.421 4.080 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 103 LEU H 1 103 LEU HA 2.800 . 3.500 2.864 2.822 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 99 VAL HA 1 103 LEU H 3.800 . 5.300 4.304 4.080 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 103 LEU H 1 103 LEU MD1 4.100 . 5.300 2.723 2.104 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 103 LEU H 1 103 LEU MD2 4.400 . 5.300 3.953 3.567 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 103 LEU H 1 103 LEU QB 3.500 . 3.500 2.399 2.297 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 103 LEU H 1 103 LEU HG 2.500 . 2.700 2.519 2.130 2.724 0.024 23 0 "[ . 1 . 2 . 3]" 1
1145 1 102 ALA HA 1 103 LEU H 3.200 . 3.500 3.555 3.524 3.573 0.073 22 0 "[ . 1 . 2 . 3]" 1
1146 1 61 PHE QE 1 103 LEU H 3.600 . 5.300 3.714 2.983 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 103 LEU H 1 104 VAL H 2.800 . 3.500 2.741 2.580 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 103 LEU H 1 104 VAL HB 4.900 . 5.300 4.862 4.604 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 101 GLU HB2 1 103 LEU H 5.600 . 6.500 6.014 5.732 6.349 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 102 ALA MB 1 103 LEU H 4.000 . 5.300 2.462 2.096 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 103 LEU HA 1 103 LEU HG 2.700 . 3.500 2.421 2.244 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 103 LEU HA 1 103 LEU QB 2.700 . 2.700 2.406 2.352 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 103 LEU HA 1 103 LEU MD2 4.400 . 5.300 2.711 1.979 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 103 LEU HA 1 108 LEU QD 4.000 . 5.300 3.462 2.840 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 103 LEU HA 1 108 LEU HB2 3.600 . 5.300 3.065 2.728 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 103 LEU HA 1 106 GLN HB3 5.000 . 5.300 3.828 3.009 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 104 VAL H 1 104 VAL QG 3.500 . 5.300 2.209 1.826 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 103 LEU HG 1 104 VAL H 4.200 . 5.300 4.473 4.249 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 103 LEU QB 1 104 VAL H 2.800 . 3.500 2.414 2.290 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 101 GLU HA 1 104 VAL H 3.400 . 3.500 3.461 3.353 3.529 0.029 23 0 "[ . 1 . 2 . 3]" 1
1161 1 104 VAL H 1 104 VAL HB 2.600 . 3.500 2.516 2.355 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 104 VAL H 1 125 LEU MD2 6.000 . 6.500 4.379 3.791 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 103 LEU HA 1 104 VAL H 3.500 . 5.300 3.576 3.536 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 100 ASN HA 1 104 VAL H 4.500 . 5.300 4.376 4.228 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 103 LEU MD2 1 104 VAL H 5.500 . 6.500 4.752 4.577 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 101 GLU HB3 1 104 VAL H 5.600 . 6.500 5.710 5.472 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 102 ALA H 1 104 VAL H 3.800 . 5.300 4.221 3.903 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 104 VAL H 1 106 GLN H 4.200 . 5.300 4.285 4.059 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 104 VAL H 1 105 ARG H 2.700 . 3.500 2.694 2.557 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 105 ARG H 1 106 GLN H 2.800 . 3.500 2.589 2.427 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 103 LEU H 1 105 ARG H 3.700 . 5.300 3.936 3.735 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 105 ARG H 1 105 ARG QB 2.600 . 2.700 2.209 2.076 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 104 VAL HB 1 105 ARG H 2.600 . 3.500 2.859 2.598 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 104 VAL QG 1 105 ARG H 4.100 . 5.300 3.324 3.136 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 101 GLU HB3 1 105 ARG H 5.300 . 6.500 5.538 5.143 5.878 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 102 ALA HA 1 105 ARG H 3.600 . 5.300 3.537 3.262 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 101 GLU HA 1 105 ARG H 3.800 . 5.300 4.077 3.761 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 103 LEU QB 1 105 ARG H 6.000 . 6.500 4.435 4.233 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 105 ARG H 1 106 GLN HA 5.800 . 6.500 5.273 5.149 5.401 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 105 ARG H 1 106 GLN HB2 5.000 . 5.300 4.661 4.331 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 104 VAL HA 1 105 ARG H 4.300 . 5.300 3.508 3.435 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 101 GLU QG 1 105 ARG H 5.600 . 6.500 4.101 3.724 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 105 ARG H 1 128 SER QB 5.500 . 6.500 4.585 3.893 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 106 GLN H 1 106 GLN HB3 3.500 . 5.300 3.120 2.650 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 105 ARG HB3 1 106 GLN H 2.900 . 3.500 2.766 2.438 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 106 GLN H 1 106 GLN HB2 2.900 . 3.500 2.294 2.109 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 106 GLN H 1 106 GLN QG 3.700 . 5.300 3.797 2.693 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 103 LEU QB 1 106 GLN H 4.800 . 5.300 4.728 4.623 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 103 LEU HA 1 106 GLN H 4.700 . 5.300 3.347 3.183 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 105 ARG HA 1 106 GLN H 4.900 . 5.300 3.545 3.491 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 107 GLY H 1 109 ALA H 3.500 . 5.300 4.312 3.711 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 106 GLN H 1 107 GLY H 2.700 . 3.500 2.555 2.339 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 107 GLY H 1 108 LEU H 3.100 . 3.500 2.758 2.303 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 104 VAL HA 1 107 GLY H 5.500 . 6.500 3.438 3.128 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 104 VAL HB 1 107 GLY H 5.400 . 6.500 5.382 5.049 5.624 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 106 GLN HB2 1 107 GLY H 3.600 . 5.300 3.995 3.393 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 106 GLN QG 1 107 GLY H 5.800 . 6.500 4.609 4.269 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 106 GLN HB3 1 107 GLY H 3.700 . 5.300 3.796 3.299 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 107 GLY H 1 132 ALA MB 4.200 . 5.300 3.009 2.386 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 107 GLY H 1 137 LEU MD1 4.900 . 5.300 4.034 3.115 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 104 VAL MG1 1 107 GLY H 5.100 . 5.300 4.212 4.097 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 107 GLY H 1 108 LEU HB2 4.800 . 5.300 4.769 4.336 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 107 GLY H 1 108 LEU HG 4.800 . 5.300 4.486 3.768 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 105 ARG H 1 107 GLY H 6.000 . 6.500 3.832 3.592 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 107 GLY H 1 138 ASN HB2 6.000 . 6.500 5.983 5.092 6.540 0.040 17 0 "[ . 1 . 2 . 3]" 1
1206 1 108 LEU H 1 109 ALA H 2.500 . 2.700 2.093 1.870 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 103 LEU QB 1 108 LEU H 3.700 . 5.300 3.711 3.399 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 108 LEU H 1 108 LEU HG 2.900 . 3.500 3.020 2.398 3.516 0.016 10 0 "[ . 1 . 2 . 3]" 1
1209 1 108 LEU H 1 108 LEU HB2 2.900 . 3.500 2.452 2.258 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 108 LEU H 1 108 LEU HB3 3.500 . 5.300 3.666 3.466 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 106 GLN HB3 1 108 LEU H 3.900 . 5.300 3.610 2.781 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 103 LEU HA 1 108 LEU H 3.900 . 5.300 3.899 3.660 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 104 VAL HA 1 108 LEU H 3.600 . 5.300 3.472 3.028 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 107 GLY HA2 1 108 LEU H 3.600 . 5.300 2.817 2.593 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 107 GLY HA3 1 108 LEU H 4.500 . 5.300 3.552 3.455 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 108 LEU H 1 139 ILE MD 5.500 . 6.500 3.637 3.145 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 106 GLN H 1 108 LEU H 3.800 . 5.300 3.843 3.579 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 103 LEU MD2 1 108 LEU H 5.300 . 6.500 4.405 3.909 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 108 LEU HA 1 139 ILE MD 6.000 . 6.500 1.943 1.817 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 108 LEU HA 1 139 ILE MG 6.000 . 6.500 5.317 5.027 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 103 LEU QB 1 108 LEU QD 5.800 . 6.500 4.027 3.412 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 106 GLN HB3 1 108 LEU QD 5.400 . 6.500 2.311 1.912 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 108 LEU HA 1 109 ALA H 3.600 . 5.300 3.420 3.152 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 104 VAL HA 1 109 ALA H 3.100 . 3.500 3.177 2.794 3.508 0.008 24 0 "[ . 1 . 2 . 3]" 1
1225 1 108 LEU HG 1 109 ALA H 3.600 . 5.300 4.619 4.128 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 109 ALA H 1 139 ILE MD 4.700 . 5.300 3.280 2.474 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 108 LEU QD 1 109 ALA H 6.000 . 6.500 4.241 3.925 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 103 LEU QB 1 109 ALA H 3.900 . 5.300 3.177 2.289 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 103 LEU HA 1 109 ALA H 5.000 . 5.300 4.585 3.885 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 103 LEU MD2 1 109 ALA H 5.900 . 6.500 4.212 3.331 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 110 LYS H 1 139 ILE MD 4.900 . 5.300 4.166 3.775 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 110 LYS H 1 110 LYS HG2 3.500 . 5.300 3.728 2.349 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 110 LYS H 1 110 LYS HG3 3.000 . 3.500 2.789 1.853 3.503 0.003 13 0 "[ . 1 . 2 . 3]" 1
1234 1 110 LYS H 1 110 LYS QB 3.500 . 5.300 2.605 2.249 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 109 ALA MB 1 110 LYS H 4.200 . 5.300 2.747 2.260 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 109 ALA H 1 110 LYS H 4.300 . 5.300 4.452 4.284 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 110 LYS H 1 111 VAL H 5.300 . 5.300 4.496 4.345 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 110 LYS HA 1 110 LYS QD 3.800 . 5.300 3.983 3.392 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 110 LYS HA 1 110 LYS HG3 3.000 . 3.500 2.981 2.186 3.574 0.074 29 0 "[ . 1 . 2 . 3]" 1
1240 1 110 LYS HA 1 139 ILE MD 5.900 . 6.500 4.540 3.761 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 109 ALA MB 1 110 LYS HA 5.400 . 6.500 4.094 3.836 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 110 LYS HA 1 111 VAL MG2 5.400 . 6.500 3.777 3.417 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 110 LYS HA 1 111 VAL H 2.700 . 3.500 2.293 2.194 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 110 LYS QB 1 111 VAL H 3.800 . 5.300 2.918 2.417 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 111 VAL H 1 111 VAL HB 2.600 . 2.700 2.487 2.331 2.722 0.022 10 0 "[ . 1 . 2 . 3]" 1
1246 1 104 VAL QG 1 111 VAL H 5.800 . 6.500 3.823 3.053 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 111 VAL H 1 111 VAL QG 3.900 . 5.300 2.236 1.855 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 39 VAL HA 1 111 VAL H 5.600 . 6.500 4.498 4.240 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 111 VAL HA 1 111 VAL HB 2.900 . 3.500 3.016 2.563 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 111 VAL H 1 112 ALA H 4.700 . 5.300 4.589 4.450 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 39 VAL HA 1 112 ALA H 2.700 . 3.500 2.591 1.915 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 111 VAL HA 1 112 ALA H 3.000 . 3.500 2.233 2.188 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 111 VAL HB 1 112 ALA H 4.000 . 5.300 4.176 3.595 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 112 ALA H 1 113 TYR HD2 4.800 . 5.300 4.687 3.875 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 40 ASP H 1 112 ALA H 4.200 . 5.300 4.292 3.472 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 112 ALA H 1 114 VAL MG2 5.500 . 6.500 3.904 3.357 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 39 VAL MG1 1 112 ALA H 5.400 . 6.500 4.048 3.542 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 39 VAL HB 1 112 ALA H 4.800 . 5.300 4.897 4.268 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 38 LEU HA 1 112 ALA H 4.700 . 5.300 3.334 2.866 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 112 ALA HA 1 113 TYR H 2.500 . 2.700 2.624 2.399 2.729 0.029 20 0 "[ . 1 . 2 . 3]" 1
1261 1 113 TYR H 1 113 TYR HA 2.400 . 2.700 2.348 2.343 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 113 TYR H 1 114 VAL MG2 5.500 . 6.500 3.771 3.471 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 112 ALA MB 1 113 TYR H 3.700 . 5.300 2.214 1.863 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 113 TYR H 1 113 TYR HD1 3.600 . 5.300 3.816 3.339 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 113 TYR H 1 113 TYR HE1 5.000 . 5.300 5.194 4.794 5.314 0.014 13 0 "[ . 1 . 2 . 3]" 1
1266 1 113 TYR HA 1 113 TYR QB 2.600 . 3.500 2.407 2.343 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 113 TYR HA 1 113 TYR HD1 2.500 . 2.700 2.183 1.851 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 113 TYR HD1 1 115 TYR QE 3.600 . 5.300 2.058 1.866 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 112 ALA MB 1 113 TYR HD2 4.900 . 5.300 3.019 2.252 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 40 ASP HB2 1 113 TYR HD2 3.700 . 5.300 2.915 2.025 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 40 ASP HB2 1 113 TYR HE2 2.700 . 3.500 2.888 2.079 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 112 ALA MB 1 113 TYR HE2 5.300 . 6.500 3.821 2.851 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 114 VAL H 1 114 VAL MG2 3.900 . 5.300 2.609 2.121 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 114 VAL H 1 114 VAL HB 2.400 . 2.700 2.575 2.434 2.728 0.028 28 0 "[ . 1 . 2 . 3]" 1
1275 1 113 TYR HA 1 114 VAL H 2.800 . 3.500 2.503 2.329 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 112 ALA HA 1 114 VAL H 4.000 . 5.300 4.383 3.360 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 114 VAL H 1 115 TYR H 4.000 . 5.300 4.061 3.499 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 114 VAL HA 1 114 VAL HB 2.600 . 3.500 3.031 3.015 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 111 VAL MG1 1 114 VAL MG2 5.500 . 6.500 2.946 2.295 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 114 VAL MG2 1 115 TYR H 5.800 . 6.500 4.241 3.935 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 114 VAL MG1 1 115 TYR H 4.800 . 5.300 3.234 2.416 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 114 VAL HB 1 115 TYR H 4.200 . 5.300 4.424 4.242 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 115 TYR H 1 115 TYR HB3 3.600 . 5.300 3.817 3.668 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 115 TYR H 1 115 TYR HB2 3.000 . 3.500 2.725 2.494 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 114 VAL HA 1 115 TYR H 2.600 . 3.500 2.283 2.187 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 115 TYR H 1 115 TYR QD 4.500 . 5.300 2.853 2.048 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 115 TYR H 1 116 LYS H 4.000 . 5.300 4.218 3.470 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 115 TYR H 1 115 TYR QE 5.500 . 6.500 4.619 4.147 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 38 LEU MD2 1 115 TYR H 4.400 . 5.300 3.637 3.098 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 37 LEU MD2 1 115 TYR H 6.000 . 6.500 4.734 4.111 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 115 TYR HA 1 115 TYR HB3 2.500 . 2.700 2.430 2.348 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 115 TYR HA 1 115 TYR QD 2.700 . 3.500 2.693 2.076 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 115 TYR HB3 1 115 TYR QD 3.000 . 3.500 2.494 2.350 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 113 TYR QB 1 115 TYR QD 4.300 . 5.300 3.306 2.759 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 113 TYR QB 1 115 TYR QE 2.700 . 3.500 2.478 1.865 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 113 TYR HA 1 115 TYR QE 4.200 . 5.300 2.438 1.863 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 115 TYR HA 1 116 LYS H 2.700 . 3.500 2.242 2.190 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 115 TYR QD 1 116 LYS H 3.900 . 5.300 4.378 3.942 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 115 TYR HB3 1 116 LYS H 3.500 . 5.300 3.522 2.944 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 116 LYS H 1 116 LYS HG2 3.000 . 3.500 2.689 1.884 3.508 0.008 17 0 "[ . 1 . 2 . 3]" 1
1301 1 116 LYS H 1 116 LYS HG3 3.400 . 3.500 2.554 1.842 3.504 0.004 16 0 "[ . 1 . 2 . 3]" 1
1302 1 116 LYS H 1 116 LYS QB 3.500 . 5.300 2.582 2.192 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 116 LYS H 1 116 LYS QD 4.500 . 5.300 3.804 1.858 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 114 VAL MG1 1 116 LYS H 6.000 . 6.500 4.154 2.922 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 114 VAL HA 1 116 LYS H 5.600 . 6.500 5.665 4.782 6.224 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 115 TYR HB2 1 116 LYS H 4.700 . 5.300 4.195 3.888 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 118 ASN H 1 118 ASN HB2 2.900 . 3.500 2.244 2.169 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 117 PRO HD2 1 118 ASN H 2.800 . 3.500 3.082 2.679 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 116 LYS HG3 1 118 ASN H 6.000 . 6.500 5.291 4.351 5.745 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 116 LYS HG2 1 118 ASN H 5.000 . 5.300 4.655 4.135 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 116 LYS QB 1 118 ASN H 4.700 . 5.300 3.848 3.693 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 116 LYS HA 1 118 ASN H 3.000 . 3.500 2.116 1.839 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 79 GLY HA3 1 118 ASN H 4.000 . 5.300 3.966 3.479 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 77 ASP HB3 1 118 ASN H 5.500 . 6.500 5.626 4.887 6.219 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 117 PRO HD3 1 118 ASN H 5.000 . 5.300 4.085 3.847 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 118 ASN HA 1 118 ASN HB2 3.000 . 3.500 2.991 2.934 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 118 ASN HA 1 118 ASN HB3 2.600 . 2.700 2.655 2.534 2.756 0.056 2 0 "[ . 1 . 2 . 3]" 1
1318 1 37 LEU MD2 1 118 ASN HA 6.000 . 6.500 5.038 4.288 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 89 LEU MD1 1 118 ASN HD22 4.500 . 5.300 3.620 2.687 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 80 GLN HB2 1 118 ASN HD22 3.900 . 5.300 3.277 2.762 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 80 GLN HB3 1 118 ASN HD22 4.300 . 5.300 4.805 4.248 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 80 GLN QG 1 118 ASN HD22 5.000 . 5.300 3.943 3.158 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 79 GLY HA3 1 118 ASN HD22 3.600 . 5.300 2.784 1.887 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 118 ASN HB2 1 118 ASN HD22 3.600 . 5.300 3.613 3.535 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 79 GLY H 1 118 ASN HD22 4.200 . 5.300 3.958 3.611 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 37 LEU MD1 1 118 ASN HD22 5.700 . 6.500 4.091 3.211 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 37 LEU MD2 1 118 ASN HD22 5.300 . 6.500 4.231 3.023 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 89 LEU MD1 1 118 ASN HD21 4.500 . 5.300 3.497 2.693 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 80 GLN HB3 1 118 ASN HD21 5.500 . 6.500 5.774 5.017 6.499 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 80 GLN HB2 1 118 ASN HD21 5.200 . 5.300 4.068 3.261 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 80 GLN QG 1 118 ASN HD21 6.000 . 6.500 4.518 3.270 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 79 GLY HA3 1 118 ASN HD21 4.400 . 5.300 3.756 3.050 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 118 ASN HB2 1 118 ASN HD21 3.400 . 3.500 2.503 2.301 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 79 GLY H 1 118 ASN HD21 4.800 . 5.300 5.085 4.772 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 37 LEU MD1 1 118 ASN HD21 5.500 . 6.500 4.038 3.227 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 37 LEU MD2 1 118 ASN HD21 4.000 . 5.300 3.473 2.677 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 118 ASN HA 1 119 ASN H 2.900 . 3.500 2.500 2.320 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 119 ASN H 1 119 ASN HB3 3.400 . 3.500 3.467 3.342 3.575 0.075 17 0 "[ . 1 . 2 . 3]" 1
1339 1 119 ASN H 1 119 ASN HB2 3.900 . 5.300 3.592 2.397 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 118 ASN H 1 119 ASN H 4.100 . 5.300 3.768 3.239 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 78 LYS H 1 119 ASN H 4.900 . 5.300 5.017 4.603 5.313 0.013 10 0 "[ . 1 . 2 . 3]" 1
1342 1 119 ASN HA 1 119 ASN HB2 3.000 . 3.500 2.598 2.382 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 38 LEU MD2 1 119 ASN HA 5.100 . 5.300 2.620 1.889 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 114 VAL MG1 1 119 ASN HA 5.700 . 6.500 4.175 3.043 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 38 LEU MD1 1 119 ASN HA 5.000 . 5.300 2.377 1.881 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 116 LYS HG2 1 119 ASN HD21 4.100 . 5.300 3.316 1.868 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 114 VAL MG1 1 119 ASN HD21 3.600 . 5.300 3.095 2.432 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 119 ASN HB2 1 119 ASN HD22 4.000 . 5.300 3.700 3.517 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 116 LYS HG2 1 119 ASN HD22 5.000 . 5.300 3.382 1.870 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 116 LYS HG3 1 119 ASN HD22 4.800 . 5.300 4.286 2.731 5.306 0.006 18 0 "[ . 1 . 2 . 3]" 1
1351 1 116 LYS QD 1 119 ASN HD22 3.500 . 5.300 3.282 1.855 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 114 VAL MG1 1 119 ASN HD22 4.800 . 5.300 3.590 1.749 4.501 0.051 11 0 "[ . 1 . 2 . 3]" 1
1353 1 120 THR H 1 120 THR HB 3.500 . 5.300 2.546 2.260 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 120 THR H 1 120 THR HA 2.800 . 3.500 2.817 2.751 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 119 ASN HA 1 120 THR H 3.400 . 3.500 2.998 2.889 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 120 THR H 1 121 HIS H 3.000 . 3.500 2.818 2.630 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 120 THR H 1 122 GLU H 4.500 . 5.300 4.513 3.998 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 119 ASN H 1 120 THR H 2.600 . 2.700 2.060 1.862 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 91 TYR QE 1 120 THR H 4.300 . 5.300 4.381 3.621 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 78 LYS HG3 1 120 THR H 5.700 . 6.500 5.996 4.243 6.503 0.003 13 0 "[ . 1 . 2 . 3]" 1
1361 1 7 LEU MD1 1 120 THR HB 5.000 . 5.300 3.053 2.440 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 78 LYS HB3 1 120 THR HB 5.700 . 6.500 6.280 5.717 6.511 0.011 1 0 "[ . 1 . 2 . 3]" 1
1363 1 121 HIS H 1 121 HIS HB2 3.500 . 5.300 2.470 2.255 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 120 THR HA 1 121 HIS H 3.800 . 5.300 3.531 3.396 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 121 HIS H 1 121 HIS HB3 3.800 . 5.300 3.679 3.556 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 120 THR HB 1 121 HIS H 3.400 . 3.500 2.811 2.136 3.580 0.080 2 0 "[ . 1 . 2 . 3]" 1
1367 1 120 THR MG 1 121 HIS H 5.000 . 5.300 3.348 1.758 3.994 0.042 2 0 "[ . 1 . 2 . 3]" 1
1368 1 119 ASN HA 1 121 HIS H 5.100 . 5.300 3.510 2.981 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 91 TYR QE 1 121 HIS H 4.600 . 5.300 3.788 3.300 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 7 LEU MD1 1 121 HIS H 5.800 . 6.500 5.100 4.630 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 38 LEU MD1 1 121 HIS H 4.500 . 5.300 2.948 2.593 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 121 HIS H 1 124 LEU HB3 6.000 . 6.500 6.054 5.275 6.509 0.009 28 0 "[ . 1 . 2 . 3]" 1
1373 1 121 HIS HA 1 121 HIS HB2 2.700 . 3.500 3.020 2.998 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 121 HIS HA 1 121 HIS HB3 2.300 . 2.700 2.556 2.397 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 121 HIS HA 1 121 HIS HD2 4.500 . 5.300 4.495 2.751 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 120 THR MG 1 121 HIS HA 4.800 . 5.300 3.683 3.081 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 121 HIS HA 1 124 LEU MD2 6.000 . 6.500 4.346 3.493 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 121 HIS HA 1 124 LEU QB 5.400 . 6.500 3.093 2.621 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 120 THR HA 1 121 HIS HA 3.400 . 5.300 4.581 4.505 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 121 HIS HB2 1 121 HIS HD2 2.700 . 3.500 2.854 2.752 3.533 0.033 27 0 "[ . 1 . 2 . 3]" 1
1381 1 121 HIS HB3 1 121 HIS HD2 3.500 . 5.300 3.596 2.806 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 98 MET ME 1 121 HIS HD2 3.700 . 5.300 3.512 2.206 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 122 GLU H 1 122 GLU HA 2.800 . 3.500 2.926 2.864 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 119 ASN HB2 1 122 GLU H 3.500 . 5.300 4.279 3.111 5.332 0.032 5 0 "[ . 1 . 2 . 3]" 1
1385 1 122 GLU H 1 122 GLU HB2 2.800 . 3.500 2.687 2.431 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 122 GLU H 1 122 GLU HB3 2.600 . 2.700 2.518 2.339 2.743 0.043 23 0 "[ . 1 . 2 . 3]" 1
1387 1 119 ASN HA 1 122 GLU H 3.600 . 5.300 3.915 3.164 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 121 HIS HA 1 122 GLU H 3.000 . 3.500 2.836 2.648 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 121 HIS H 1 122 GLU H 3.100 . 3.500 2.951 2.171 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 91 TYR QE 1 122 GLU H 5.300 . 6.500 5.807 5.109 6.226 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 122 GLU H 1 123 GLN H 2.900 . 3.500 2.533 2.280 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 38 LEU MD1 1 122 GLU H 4.600 . 5.300 3.367 2.764 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 122 GLU H 1 123 GLN HA 5.600 . 6.500 5.192 4.979 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 122 GLU HA 1 122 GLU HB2 2.600 . 2.700 2.479 2.386 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 122 GLU HA 1 122 GLU HB3 2.700 . 3.500 3.030 3.009 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 122 GLU HA 1 125 LEU HB2 3.000 . 3.500 3.174 2.740 3.520 0.020 4 0 "[ . 1 . 2 . 3]" 1
1397 1 122 GLU HB2 1 123 GLN H 5.000 . 5.300 3.808 3.420 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 123 GLN H 1 124 LEU H 2.600 . 3.500 2.702 2.449 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 123 GLN H 1 123 GLN HB2 2.500 . 2.700 2.225 2.081 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 123 GLN H 1 123 GLN HA 2.700 . 3.500 2.857 2.778 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 123 GLN H 1 123 GLN QG 3.600 . 5.300 3.099 2.017 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 123 GLN H 1 125 LEU H 4.000 . 5.300 4.585 3.744 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 123 GLN H 1 124 LEU HB2 5.500 . 6.500 4.861 4.522 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 121 HIS HA 1 123 GLN H 4.300 . 5.300 3.992 3.463 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 122 GLU HA 1 123 GLN H 3.500 . 5.300 3.562 3.472 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 123 GLN HA 1 123 GLN HB2 2.700 . 3.500 2.921 2.720 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 123 GLN HA 1 126 ARG HB3 5.000 . 5.300 3.173 2.371 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 123 GLN HB2 1 124 LEU H 2.700 . 3.500 2.990 2.135 3.502 0.002 9 0 "[ . 1 . 2 . 3]" 1
1409 1 123 GLN HG3 1 124 LEU H 5.000 . 5.300 4.850 4.198 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 124 LEU H 1 124 LEU HA 3.000 . 3.500 2.845 2.786 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 124 LEU H 1 124 LEU HB3 2.700 . 3.500 2.818 2.399 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 124 LEU H 1 124 LEU HB2 2.300 . 2.700 2.347 2.098 2.721 0.021 25 0 "[ . 1 . 2 . 3]" 1
1413 1 123 GLN HA 1 124 LEU H 3.500 . 5.300 3.548 3.494 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 124 LEU H 1 124 LEU MD2 4.400 . 5.300 3.929 2.984 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 124 LEU H 1 124 LEU MD1 4.400 . 5.300 3.948 3.387 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 124 LEU H 1 124 LEU HG 3.800 . 5.300 4.497 4.355 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 121 HIS HA 1 124 LEU H 3.900 . 5.300 3.401 3.090 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 122 GLU H 1 124 LEU H 4.300 . 5.300 3.917 3.519 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 124 LEU H 1 125 LEU H 3.000 . 3.500 2.904 2.668 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 124 LEU H 1 126 ARG H 5.000 . 5.300 3.814 3.614 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 124 LEU HA 1 124 LEU HB2 2.200 . 2.700 2.601 2.415 2.773 0.073 21 0 "[ . 1 . 2 . 3]" 1
1422 1 124 LEU HA 1 127 LYS HB2 5.500 . 6.500 4.969 3.319 5.939 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 124 LEU HA 1 124 LEU MD1 4.000 . 5.300 2.106 1.851 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 125 LEU H 1 125 LEU HA 2.800 . 3.500 2.849 2.780 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 125 LEU H 1 125 LEU HB2 2.700 . 3.500 2.397 2.245 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 125 LEU H 1 125 LEU HG 2.600 . 2.700 2.368 1.946 2.709 0.009 28 0 "[ . 1 . 2 . 3]" 1
1427 1 125 LEU H 1 125 LEU HB3 3.500 . 5.300 3.598 3.551 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 125 LEU H 1 125 LEU MD1 4.400 . 5.300 3.519 2.980 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 125 LEU H 1 125 LEU MD2 4.100 . 5.300 3.567 2.926 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 122 GLU HA 1 125 LEU H 3.600 . 5.300 3.809 3.428 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 125 LEU H 1 126 ARG H 2.800 . 3.500 2.676 2.587 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 124 LEU HB2 1 125 LEU H 4.500 . 5.300 3.469 3.106 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 125 LEU HA 1 125 LEU MD2 4.500 . 5.300 2.004 1.801 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 125 LEU HA 1 125 LEU MD1 4.500 . 5.300 3.778 3.686 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 125 LEU HA 1 125 LEU HB3 2.400 . 2.700 2.555 2.444 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 125 LEU HA 1 125 LEU HG 3.400 . 3.500 2.791 2.481 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 125 LEU HA 1 128 SER QB 4.500 . 5.300 2.807 2.066 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 104 VAL QG 1 125 LEU HA 5.900 . 6.500 3.424 2.826 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 126 ARG H 1 126 ARG HB2 2.400 . 2.700 2.200 2.088 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 126 ARG H 1 127 LYS H 2.700 . 3.500 2.795 2.501 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 126 ARG H 1 126 ARG HA 2.700 . 3.500 2.878 2.823 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 125 LEU HA 1 126 ARG H 3.600 . 5.300 3.476 3.370 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 126 ARG H 1 126 ARG QG 3.800 . 5.300 3.568 2.611 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 125 LEU HB3 1 126 ARG H 4.000 . 5.300 3.839 3.404 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 126 ARG H 1 126 ARG HB3 3.600 . 5.300 3.148 2.660 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 122 GLU HA 1 126 ARG H 4.000 . 5.300 4.274 3.871 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 123 GLN HA 1 126 ARG H 4.000 . 5.300 3.440 3.226 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 111 VAL MG2 1 126 ARG H 4.900 . 5.300 4.127 3.764 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 123 GLN HB2 1 126 ARG H 5.300 . 6.500 5.504 5.221 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 126 ARG HA 1 126 ARG HB2 2.800 . 3.500 2.791 2.536 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 126 ARG HA 1 129 GLU HB2 3.500 . 5.300 3.488 2.871 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 127 LYS H 1 128 SER H 2.700 . 3.500 2.781 2.582 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 125 LEU H 1 127 LYS H 3.800 . 5.300 4.737 3.839 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 127 LYS H 1 127 LYS HA 2.700 . 3.500 2.844 2.772 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 127 LYS H 1 127 LYS HB2 3.500 . 5.300 3.289 2.600 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 126 ARG HB2 1 127 LYS H 3.200 . 3.500 3.128 2.304 3.515 0.015 15 0 "[ . 1 . 2 . 3]" 1
1457 1 126 ARG HB3 1 127 LYS H 3.500 . 5.300 2.508 1.873 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 124 LEU MD1 1 127 LYS H 6.000 . 6.500 4.810 3.937 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 126 ARG HA 1 127 LYS H 3.600 . 5.300 3.573 3.467 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 124 LEU HA 1 127 LYS H 5.500 . 6.500 3.799 3.413 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 127 LYS HA 1 127 LYS HB2 2.500 . 2.700 2.459 2.364 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 127 LYS HA 1 130 ALA MB 4.700 . 5.300 2.723 2.330 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 127 LYS HB2 1 128 SER H 3.500 . 5.300 3.731 3.435 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 127 LYS HA 1 128 SER H 3.000 . 3.500 3.545 3.487 3.571 0.071 6 0 "[ . 1 . 2 . 3]" 1
1465 1 128 SER H 1 128 SER HB3 3.500 . 5.300 3.279 2.172 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 127 LYS QE 1 128 SER H 3.500 . 5.300 4.278 3.512 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 128 SER H 1 129 GLU HA 5.300 . 6.500 5.375 5.199 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 127 LYS HG2 1 128 SER H 4.500 . 5.300 2.922 1.886 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 125 LEU MD2 1 128 SER H 5.900 . 6.500 4.906 4.587 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 124 LEU MD1 1 128 SER H 5.700 . 6.500 4.272 3.092 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 127 LYS HG3 1 128 SER H 3.200 . 3.400 2.613 1.864 3.417 0.017 5 0 "[ . 1 . 2 . 3]" 1
1472 1 125 LEU HA 1 128 SER H 3.500 . 5.300 3.618 3.246 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 128 SER H 1 129 GLU H 2.900 . 3.500 2.738 2.519 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 126 ARG H 1 128 SER H 4.300 . 5.300 4.085 3.662 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 128 SER H 1 130 ALA H 4.500 . 5.300 4.296 3.919 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 104 VAL MG1 1 128 SER H 5.800 . 6.500 4.356 3.958 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 124 LEU HA 1 128 SER H 5.000 . 5.300 4.336 3.946 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 128 SER HA 1 128 SER HB3 2.600 . 2.700 2.460 2.264 2.707 0.007 4 0 "[ . 1 . 2 . 3]" 1
1479 1 128 SER HA 1 131 GLN HB3 3.000 . 3.500 3.170 2.722 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 129 GLU H 1 129 GLU HB2 2.800 . 3.500 2.509 2.160 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 129 GLU H 1 129 GLU HB3 3.100 . 3.500 2.632 2.329 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 129 GLU H 1 131 GLN H 4.300 . 5.300 4.044 3.779 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 127 LYS H 1 129 GLU H 3.900 . 5.300 4.149 3.468 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 127 LYS HB3 1 129 GLU H 5.500 . 6.500 5.447 4.283 6.160 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 128 SER HB3 1 129 GLU H 4.000 . 5.300 3.800 3.293 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 125 LEU HA 1 129 GLU H 3.500 . 5.300 3.976 3.376 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 125 LEU HB3 1 129 GLU H 5.000 . 5.300 4.854 4.428 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 111 VAL MG2 1 129 GLU H 5.100 . 5.300 3.752 3.342 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 104 VAL QG 1 129 GLU H 4.500 . 5.300 2.847 2.157 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 126 ARG HA 1 129 GLU H 5.000 . 5.300 3.593 3.298 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 129 GLU HA 1 129 GLU HB2 2.700 . 3.500 2.520 2.387 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 129 GLU HA 1 132 ALA MB 5.000 . 5.300 2.761 2.246 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 130 ALA H 1 131 GLN H 2.600 . 3.500 2.690 2.486 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 130 ALA H 1 132 ALA H 5.000 . 5.300 4.277 3.940 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 130 ALA H 1 130 ALA HA 2.600 . 3.500 2.843 2.781 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 127 LYS HA 1 130 ALA H 3.100 . 3.500 3.405 3.089 3.517 0.017 5 0 "[ . 1 . 2 . 3]" 1
1497 1 129 GLU HB3 1 130 ALA H 3.000 . 3.500 2.553 2.238 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 129 GLU HB2 1 130 ALA H 3.500 . 5.300 3.775 3.147 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 127 LYS HB2 1 130 ALA H 5.300 . 6.500 5.431 4.927 5.800 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 126 ARG HA 1 130 ALA H 4.000 . 5.300 4.359 3.900 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 129 GLU H 1 130 ALA H 2.900 . 3.500 2.694 2.531 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 104 VAL MG1 1 130 ALA H 6.000 . 6.500 4.539 4.060 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 130 ALA H 1 133 LYS HB2 4.800 . 5.300 4.904 4.509 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 130 ALA HA 1 133 LYS HB2 2.900 . 3.500 2.434 2.162 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 131 GLN H 1 131 GLN HB2 2.600 . 2.700 2.444 2.143 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 131 GLN H 1 131 GLN HA 2.700 . 3.500 2.878 2.857 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 130 ALA HA 1 131 GLN H 3.100 . 3.500 3.524 3.481 3.562 0.062 28 0 "[ . 1 . 2 . 3]" 1
1508 1 128 SER HA 1 131 GLN H 3.600 . 5.300 3.462 3.222 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 130 ALA MB 1 131 GLN H 3.800 . 5.300 2.683 2.474 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 131 GLN H 1 131 GLN HG3 4.000 . 5.300 4.392 3.962 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 131 GLN H 1 131 GLN HB3 2.700 . 3.500 2.704 2.450 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 131 GLN H 1 132 ALA MB 4.900 . 5.300 4.277 4.213 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 131 GLN H 1 133 LYS HB2 4.400 . 5.300 4.797 4.450 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 127 LYS HA 1 131 GLN H 4.100 . 5.300 4.416 4.079 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 131 GLN H 1 133 LYS H 3.800 . 5.300 3.883 3.620 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 131 GLN H 1 132 ALA H 2.800 . 3.500 2.637 2.537 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 131 GLN HA 1 131 GLN HG3 2.900 . 3.500 2.480 2.096 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 132 ALA H 1 132 ALA HA 3.000 . 3.500 2.868 2.811 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 132 ALA H 1 133 LYS H 2.600 . 3.500 2.596 2.447 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 132 ALA H 1 133 LYS HA 5.300 . 6.500 5.244 5.119 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 132 ALA H 1 133 LYS HB3 5.300 . 6.500 5.857 5.360 6.135 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 128 SER HA 1 132 ALA H 4.500 . 5.300 4.415 3.897 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 129 GLU HA 1 132 ALA H 5.000 . 5.300 3.352 3.090 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 131 GLN HG3 1 132 ALA H 3.500 . 5.300 4.509 3.699 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 131 GLN HB2 1 132 ALA H 3.500 . 5.300 3.708 3.187 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 131 GLN HB3 1 132 ALA H 2.900 . 3.500 2.555 2.332 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 130 ALA MB 1 132 ALA H 5.700 . 6.500 4.616 4.308 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 105 ARG HA 1 132 ALA H 4.200 . 5.300 4.883 3.985 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 133 LYS H 1 135 GLU H 3.500 . 5.300 3.721 3.469 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 133 LYS H 1 134 LYS H 2.700 . 3.500 2.687 2.487 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 131 GLN HB2 1 133 LYS H 5.400 . 6.500 5.467 5.080 5.762 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 133 LYS H 1 133 LYS HA 2.700 . 3.500 2.882 2.820 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 132 ALA MB 1 133 LYS H 4.000 . 5.300 2.816 2.598 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 133 LYS H 1 133 LYS HD2 5.000 . 5.300 4.988 4.348 5.322 0.022 19 0 "[ . 1 . 2 . 3]" 1
1535 1 133 LYS H 1 133 LYS HB2 2.700 . 3.500 2.139 2.087 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 133 LYS H 1 133 LYS HB3 3.000 . 3.500 3.357 2.995 3.532 0.032 10 0 "[ . 1 . 2 . 3]" 1
1537 1 133 LYS H 1 133 LYS QE 4.000 . 5.300 4.279 3.380 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 133 LYS H 1 133 LYS QG 4.300 . 5.300 3.270 2.823 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 130 ALA HA 1 133 LYS H 3.400 . 3.500 3.354 3.218 3.507 0.007 28 0 "[ . 1 . 2 . 3]" 1
1540 1 132 ALA HA 1 133 LYS H 3.500 . 5.300 3.499 3.413 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 130 ALA MB 1 133 LYS H 5.000 . 5.300 4.461 4.327 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 133 LYS H 1 140 TRP HB2 5.400 . 6.500 5.472 4.994 5.754 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 133 LYS HA 1 140 TRP HB2 2.700 . 3.500 3.346 2.908 3.559 0.059 29 0 "[ . 1 . 2 . 3]" 1
1544 1 133 LYS HA 1 133 LYS QG 2.900 . 3.500 2.064 1.920 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 133 LYS HA 1 133 LYS HD3 3.700 . 5.300 4.316 3.771 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 133 LYS HA 1 133 LYS HB2 2.600 . 3.500 2.903 2.722 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 133 LYS HA 1 133 LYS HB3 2.900 . 3.500 2.794 2.647 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 133 LYS HD3 1 133 LYS HG3 2.700 . 3.500 2.571 2.416 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 134 LYS H 1 135 GLU H 2.800 . 3.500 2.540 2.397 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 134 LYS H 1 136 LYS H 5.000 . 5.300 4.015 3.794 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 133 LYS HB3 1 134 LYS H 2.900 . 3.500 2.861 2.186 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 133 LYS HA 1 134 LYS H 3.600 . 5.300 3.574 3.531 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 134 LYS H 1 134 LYS HG2 2.700 . 3.500 2.871 1.870 3.521 0.021 8 0 "[ . 1 . 2 . 3]" 1
1554 1 133 LYS QG 1 134 LYS H 4.500 . 5.300 4.305 4.031 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
1555 1 131 GLN H 1 134 LYS H 3.800 . 5.300 4.964 4.812 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 131 GLN HA 1 134 LYS H 4.500 . 5.300 3.519 3.224 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
1557 1 133 LYS HB2 1 134 LYS H 3.000 . 3.500 2.919 2.521 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 134 LYS H 1 134 LYS HB3 2.800 . 3.500 3.278 2.496 3.603 0.103 15 0 "[ . 1 . 2 . 3]" 1
1559 1 134 LYS HA 1 134 LYS HG2 3.500 . 5.300 2.717 1.981 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 133 LYS HB3 1 134 LYS HA 3.600 . 5.300 3.956 3.859 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 135 GLU H 1 135 GLU HB2 2.600 . 2.700 2.313 2.123 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 135 GLU H 1 135 GLU HB3 3.700 . 5.300 3.568 3.359 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 135 GLU H 1 135 GLU HG2 3.500 . 5.300 3.652 2.306 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 135 GLU H 1 135 GLU HG3 2.700 . 3.500 3.051 2.152 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 131 GLN HG3 1 135 GLU H 5.400 . 6.500 5.104 4.208 6.237 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 134 LYS HA 1 135 GLU H 2.700 . 3.500 3.461 3.393 3.535 0.035 12 0 "[ . 1 . 2 . 3]" 1
1567 1 135 GLU H 1 135 GLU HA 3.000 . 3.500 2.938 2.893 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 133 LYS HA 1 135 GLU H 4.300 . 5.300 4.053 3.827 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 134 LYS HB3 1 135 GLU H 4.000 . 5.300 3.858 3.156 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
1570 1 135 GLU H 1 136 LYS H 2.300 . 2.700 2.367 2.149 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 135 GLU H 1 137 LEU H 5.300 . 6.500 4.647 4.343 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 132 ALA HA 1 135 GLU H 5.000 . 5.300 3.333 3.151 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
1573 1 136 LYS H 1 136 LYS HB3 3.900 . 5.300 4.008 3.494 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 136 LYS H 1 136 LYS HB2 3.800 . 5.300 3.525 3.167 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
1575 1 136 LYS H 1 136 LYS QG 3.500 . 5.300 2.590 2.234 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 135 GLU HA 1 136 LYS H 3.200 . 3.500 3.423 3.272 3.507 0.007 22 0 "[ . 1 . 2 . 3]" 1
1577 1 132 ALA HA 1 136 LYS H 4.000 . 5.300 4.325 4.018 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
1578 1 133 LYS HA 1 136 LYS H 3.500 . 5.300 3.461 3.156 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 136 LYS H 1 136 LYS HA 2.400 . 2.700 2.352 2.341 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 133 LYS HB2 1 136 LYS H 5.500 . 6.500 5.559 5.249 5.875 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 136 LYS H 1 140 TRP HB2 3.500 . 5.300 3.255 2.688 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 135 GLU HB2 1 136 LYS H 3.700 . 5.300 3.253 2.918 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 133 LYS HB3 1 136 LYS H 5.100 . 5.300 5.129 4.910 5.312 0.012 27 0 "[ . 1 . 2 . 3]" 1
1584 1 136 LYS HA 1 136 LYS HB3 2.400 . 2.700 2.480 2.260 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 136 LYS HA 1 140 TRP HB2 3.200 . 3.500 1.926 1.830 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
1586 1 137 LEU H 1 137 LEU HB3 3.500 . 5.300 3.309 3.032 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 137 LEU H 1 137 LEU HB2 2.600 . 2.700 2.300 2.158 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 137 LEU H 1 137 LEU MD2 5.300 . 6.500 4.101 2.580 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 136 LYS HA 1 137 LEU H 2.700 . 3.500 2.570 2.530 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 137 LEU H 1 137 LEU HA 3.000 . 3.500 2.975 2.945 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 135 GLU HA 1 137 LEU H 5.000 . 5.300 5.322 5.285 5.354 0.054 11 0 "[ . 1 . 2 . 3]" 1
1592 1 137 LEU H 1 137 LEU MD1 5.000 . 6.500 4.002 3.403 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 132 ALA HA 1 137 LEU H 3.500 . 5.300 4.256 3.804 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 137 LEU H 1 140 TRP HB2 3.400 . 5.300 2.136 1.923 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 136 LYS H 1 137 LEU H 2.800 . 3.500 3.092 2.895 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
1596 1 135 GLU HB3 1 137 LEU H 4.900 . 5.300 4.136 3.591 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 137 LEU H 1 140 TRP HB3 3.700 . 5.300 3.761 3.405 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 137 LEU H 1 140 TRP HD1 4.000 . 5.300 2.856 2.567 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 135 GLU HB2 1 137 LEU H 3.700 . 5.300 3.907 3.561 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 136 LYS HB2 1 137 LEU H 4.500 . 5.300 4.420 4.290 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 133 LYS HA 1 137 LEU H 3.500 . 5.300 4.561 4.147 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
1602 1 107 GLY HA2 1 137 LEU H 5.500 . 6.500 5.033 4.459 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 137 LEU HA 1 137 LEU HB3 3.000 . 3.500 2.819 2.610 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1604 1 137 LEU HA 1 137 LEU MD2 4.100 . 5.300 2.383 1.843 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 138 ASN H 1 140 TRP H 4.300 . 5.300 4.832 4.199 5.309 0.009 30 0 "[ . 1 . 2 . 3]" 1
1606 1 137 LEU HA 1 138 ASN H 3.500 . 5.300 2.207 2.170 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 54 TYR QE 1 138 ASN H 4.600 . 5.300 4.718 3.938 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 137 LEU H 1 138 ASN H 4.500 . 5.300 4.364 4.171 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
1609 1 138 ASN H 1 141 SER H 4.400 . 5.300 4.508 3.645 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
1610 1 138 ASN H 1 139 ILE H 4.400 . 5.300 4.380 4.204 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
1611 1 138 ASN H 1 138 ASN HA 2.700 . 3.500 2.344 2.333 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 138 ASN H 1 138 ASN HB2 3.900 . 5.300 3.582 3.351 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1613 1 137 LEU HB3 1 138 ASN H 3.600 . 5.300 3.741 2.943 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1614 1 137 LEU HB2 1 138 ASN H 3.500 . 5.300 4.532 4.175 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
1615 1 137 LEU MD2 1 138 ASN H 4.400 . 5.300 3.126 2.096 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 137 LEU MD1 1 138 ASN H 5.500 . 6.500 4.487 2.067 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 138 ASN HA 1 138 ASN HB2 2.700 . 3.500 3.006 2.791 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 106 GLN HB3 1 138 ASN HD22 4.100 . 5.300 4.268 2.861 5.318 0.018 20 0 "[ . 1 . 2 . 3]" 1
1619 1 106 GLN HG3 1 138 ASN HD22 4.000 . 5.300 4.313 1.905 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
1620 1 138 ASN HB3 1 138 ASN HD22 4.000 . 5.300 3.933 3.517 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
1621 1 138 ASN HB2 1 138 ASN HD22 3.500 . 5.300 3.598 3.508 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
1622 1 108 LEU HG 1 138 ASN HD22 3.900 . 5.300 3.769 2.661 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
1623 1 137 LEU HB3 1 138 ASN HD22 4.200 . 5.300 3.955 2.414 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 137 LEU HB2 1 138 ASN HD22 5.300 . 6.500 5.548 3.909 6.365 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 108 LEU QD 1 138 ASN HD22 5.200 . 5.300 3.063 2.286 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 137 LEU MD2 1 138 ASN HD22 5.500 . 6.500 3.079 2.220 5.424 . 0 0 "[ . 1 . 2 . 3]" 1
1627 1 137 LEU MD1 1 138 ASN HD22 5.800 . 6.500 4.057 2.366 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
1628 1 137 LEU HG 1 138 ASN HD22 5.000 . 5.300 5.186 4.905 5.329 0.029 10 0 "[ . 1 . 2 . 3]" 1
1629 1 106 GLN HB3 1 138 ASN HD21 3.700 . 5.300 4.070 3.158 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
1630 1 138 ASN HB2 1 138 ASN HD21 3.300 . 3.500 2.446 2.243 3.586 0.086 10 0 "[ . 1 . 2 . 3]" 1
1631 1 108 LEU HG 1 138 ASN HD21 3.300 . 3.500 3.145 2.134 3.546 0.046 10 0 "[ . 1 . 2 . 3]" 1
1632 1 137 LEU HB3 1 138 ASN HD21 4.000 . 5.300 3.119 1.876 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
1633 1 137 LEU HB2 1 138 ASN HD21 5.000 . 5.300 4.821 3.628 5.312 0.012 19 0 "[ . 1 . 2 . 3]" 1
1634 1 108 LEU QD 1 138 ASN HD21 . . 5.300 2.709 1.889 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
1635 1 137 LEU MD2 1 138 ASN HD21 6.000 . 6.500 3.045 1.867 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
1636 1 137 LEU MD1 1 138 ASN HD21 5.600 . 6.500 3.977 1.725 5.304 0.075 3 0 "[ . 1 . 2 . 3]" 1
1637 1 139 ILE H 1 140 TRP H 2.900 . 3.500 3.032 2.840 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
1638 1 139 ILE H 1 139 ILE HB 2.900 . 3.500 2.618 2.417 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 139 ILE H 1 139 ILE QG 2.900 . 3.500 2.061 1.843 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
1640 1 139 ILE H 1 139 ILE MD 5.300 . 6.500 2.828 2.037 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
1641 1 138 ASN HB3 1 139 ILE H 3.200 . 3.500 2.372 1.883 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
1642 1 138 ASN HB2 1 139 ILE H 3.100 . 3.500 1.907 1.813 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1643 1 138 ASN HA 1 139 ILE H 4.600 . 5.300 3.422 3.113 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
1644 1 108 LEU QD 1 139 ILE H 5.400 . 6.500 3.707 3.202 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 139 ILE HA 1 139 ILE QG 3.100 . 3.500 2.399 2.259 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1646 1 139 ILE MG 1 140 TRP H 4.100 . 5.300 3.211 2.698 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1647 1 139 ILE HB 1 140 TRP H 3.200 . 3.500 2.373 2.004 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 140 TRP H 1 140 TRP HB3 3.800 . 5.300 3.629 3.576 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
1649 1 140 TRP H 1 140 TRP HB2 3.000 . 3.500 2.640 2.502 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
1650 1 139 ILE QG 1 140 TRP H 3.800 . 5.300 4.075 3.882 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
1651 1 139 ILE MD 1 140 TRP H 5.400 . 6.500 3.852 3.526 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
1652 1 137 LEU HB3 1 140 TRP H 4.400 . 5.300 4.872 4.466 5.308 0.008 10 0 "[ . 1 . 2 . 3]" 1
1653 1 139 ILE HA 1 140 TRP H 3.700 . 5.300 3.567 3.523 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1654 1 140 TRP H 1 140 TRP HD1 3.100 . 3.500 2.619 2.463 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
1655 1 133 LYS HA 1 140 TRP HA 3.700 . 5.300 4.672 4.329 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
1656 1 140 TRP HA 1 140 TRP HB3 2.700 . 3.500 2.400 2.358 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
1657 1 140 TRP HA 1 140 TRP HB2 3.000 . 3.500 3.026 3.014 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1658 1 137 LEU HB3 1 140 TRP HD1 5.000 . 5.300 4.039 3.457 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
1659 1 137 LEU HB2 1 140 TRP HD1 4.000 . 5.300 3.671 2.983 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1660 1 132 ALA MB 1 140 TRP HD1 4.000 . 5.300 2.669 2.105 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
1661 1 137 LEU MD1 1 140 TRP HD1 6.000 . 6.500 5.118 4.673 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
1662 1 139 ILE MD 1 140 TRP HD1 4.700 . 5.300 4.167 4.002 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
1663 1 140 TRP HB3 1 140 TRP HD1 3.600 . 5.300 3.717 3.623 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
1664 1 107 GLY HA2 1 140 TRP HD1 2.900 . 3.500 3.042 2.347 3.506 0.006 5 0 "[ . 1 . 2 . 3]" 1
1665 1 133 LYS QG 1 140 TRP HD1 5.500 . 6.500 4.777 4.274 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
1666 1 139 ILE HB 1 140 TRP HD1 4.600 . 5.300 3.571 3.258 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
1667 1 140 TRP HB2 1 140 TRP HD1 2.700 . 3.500 2.563 2.531 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1668 1 107 GLY HA3 1 140 TRP HD1 3.100 . 3.500 2.606 1.982 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
1669 1 140 TRP HA 1 140 TRP HE3 2.500 . 2.700 2.660 2.370 2.729 0.029 24 0 "[ . 1 . 2 . 3]" 1
1670 1 140 TRP HB3 1 140 TRP HE3 3.000 . 3.500 2.798 2.761 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
1671 1 129 GLU HA 1 140 TRP HZ2 5.300 . 6.500 5.135 4.431 6.001 . 0 0 "[ . 1 . 2 . 3]" 1
1672 1 110 LYS HG3 1 140 TRP HZ2 3.500 . 5.300 4.249 2.330 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
1673 1 110 LYS HB3 1 140 TRP HZ2 3.800 . 5.300 3.550 2.112 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1674 1 133 LYS QG 1 140 TRP HZ2 4.400 . 5.300 3.998 3.359 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
1675 1 139 ILE HB 1 140 TRP HZ2 5.300 . 6.500 5.164 4.546 5.541 . 0 0 "[ . 1 . 2 . 3]" 1
1676 1 110 LYS HA 1 140 TRP HZ2 2.900 . 3.500 3.242 2.246 3.509 0.009 24 0 "[ . 1 . 2 . 3]" 1
1677 1 110 LYS HB3 1 140 TRP HH2 4.600 . 5.300 4.304 2.628 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
1678 1 140 TRP H 1 141 SER H 2.800 . 3.500 2.979 2.630 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
1679 1 141 SER H 1 142 GLU HB3 6.000 . 6.500 6.172 4.587 6.599 0.099 14 0 "[ . 1 . 2 . 3]" 1
1680 1 139 ILE HA 1 141 SER H 3.700 . 5.300 3.719 3.548 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
1681 1 140 TRP HA 1 141 SER H 4.000 . 5.300 3.060 2.757 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
1682 1 140 TRP HB3 1 141 SER H 4.300 . 5.300 4.446 4.288 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
1683 1 140 TRP HB2 1 141 SER H 4.300 . 5.300 3.869 3.335 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1684 1 141 SER H 1 142 GLU QG 5.700 . 6.500 4.201 3.130 5.770 . 0 0 "[ . 1 . 2 . 3]" 1
1685 1 139 ILE HB 1 141 SER H 4.500 . 5.300 4.664 4.220 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
1686 1 139 ILE MG 1 141 SER H 5.200 . 5.300 4.294 4.119 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
1687 1 139 ILE H 1 141 SER H 4.500 . 5.300 4.275 3.647 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
1688 1 136 LYS HB3 1 141 SER H 5.800 . 6.500 4.615 4.030 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
1689 1 142 GLU H 1 142 GLU HB2 2.700 . 3.500 2.792 2.256 3.583 0.083 9 0 "[ . 1 . 2 . 3]" 1
1690 1 142 GLU H 1 142 GLU HB3 3.500 . 5.300 3.480 2.461 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
1691 1 142 GLU H 1 142 GLU HG3 3.000 . 3.500 2.649 2.017 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1692 1 142 GLU H 1 142 GLU HG2 3.200 . 3.500 2.730 1.868 3.512 0.012 17 0 "[ . 1 . 2 . 3]" 1
1693 1 141 SER QB 1 142 GLU H 3.600 . 5.300 3.217 1.847 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1694 1 141 SER HA 1 142 GLU H 3.100 . 3.500 3.019 2.210 3.575 0.075 15 0 "[ . 1 . 2 . 3]" 1
1695 1 142 GLU H 1 143 ASP H 3.600 . 5.300 3.978 2.582 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1696 1 141 SER H 1 142 GLU H 3.500 . 5.300 3.188 2.093 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
1697 1 142 GLU HA 1 142 GLU HB3 2.800 . 3.500 2.442 2.285 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
1698 1 142 GLU HB3 1 143 ASP H 3.000 . 3.500 2.688 1.861 3.502 0.002 6 0 "[ . 1 . 2 . 3]" 1
1699 1 143 ASP H 1 143 ASP HB2 2.800 . 3.500 2.765 2.092 3.589 0.089 24 0 "[ . 1 . 2 . 3]" 1
1700 1 143 ASP H 1 143 ASP HB3 3.100 . 3.500 3.144 2.561 3.503 0.003 18 0 "[ . 1 . 2 . 3]" 1
1701 1 142 GLU HB2 1 143 ASP H 3.400 . 3.500 2.493 1.863 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
1702 1 142 GLU HG2 1 143 ASP H 4.200 . 5.300 4.420 3.683 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
1703 1 142 GLU HA 1 143 ASP H 3.800 . 5.300 2.978 2.416 3.589 . 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 128
_Distance_constraint_stats_list.Viol_count 394
_Distance_constraint_stats_list.Viol_total 343.701
_Distance_constraint_stats_list.Viol_max 0.887
_Distance_constraint_stats_list.Viol_rms 0.0299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0291
_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 0.009 0.005 10 0 "[ . 1 . 2 . 3]"
1 12 ALA 0.256 0.037 26 0 "[ . 1 . 2 . 3]"
1 13 THR 0.826 0.064 21 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.181 0.029 13 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.039 0.029 15 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.003 0.003 25 0 "[ . 1 . 2 . 3]"
1 22 THR 0.042 0.029 15 0 "[ . 1 . 2 . 3]"
1 23 VAL 0.159 0.037 13 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.181 0.029 13 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.408 0.033 6 0 "[ . 1 . 2 . 3]"
1 26 MET 0.826 0.064 21 0 "[ . 1 . 2 . 3]"
1 27 TYR 0.055 0.017 17 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.055 0.017 17 0 "[ . 1 . 2 . 3]"
1 32 MET 0.408 0.033 6 0 "[ . 1 . 2 . 3]"
1 33 THR 0.022 0.022 16 0 "[ . 1 . 2 . 3]"
1 34 PHE 0.159 0.037 13 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.162 0.038 30 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.352 0.037 19 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.355 0.043 19 0 "[ . 1 . 2 . 3]"
1 57 GLU 0.010 0.010 27 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.045 0.021 25 0 "[ . 1 . 2 . 3]"
1 59 SER 0.056 0.015 2 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.000 0.000 19 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.058 0.025 4 0 "[ . 1 . 2 . 3]"
1 62 THR 0.045 0.021 25 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.086 0.015 23 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.000 0.000 19 0 "[ . 1 . 2 . 3]"
1 65 MET 0.083 0.025 4 0 "[ . 1 . 2 . 3]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 GLU 0.030 0.015 23 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.035 0.015 24 0 "[ . 1 . 2 . 3]"
1 72 ILE 0.256 0.037 26 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.213 0.034 19 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.009 0.005 10 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.046 0.013 4 0 "[ . 1 . 2 . 3]"
1 79 GLY 0.066 0.025 12 0 "[ . 1 . 2 . 3]"
1 81 ARG 0.003 0.003 2 0 "[ . 1 . 2 . 3]"
1 83 ASP 0.298 0.033 20 0 "[ . 1 . 2 . 3]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 86 GLY 0.227 0.030 19 0 "[ . 1 . 2 . 3]"
1 87 ARG 3.266 0.887 4 4 "[ +. 1 . *2- . * 3]"
1 88 GLY 0.179 0.038 30 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.003 0.003 2 0 "[ . 1 . 2 . 3]"
1 91 TYR 0.046 0.013 4 0 "[ . 1 . 2 . 3]"
1 92 ILE 0.025 0.013 4 0 "[ . 1 . 2 . 3]"
1 93 TYR 0.213 0.034 19 0 "[ . 1 . 2 . 3]"
1 94 ALA 0.005 0.005 22 0 "[ . 1 . 2 . 3]"
1 97 LYS 0.005 0.005 22 0 "[ . 1 . 2 . 3]"
1 98 MET 0.051 0.025 13 0 "[ . 1 . 2 . 3]"
1 99 VAL 0.025 0.013 4 0 "[ . 1 . 2 . 3]"
1 100 ASN 0.114 0.020 7 0 "[ . 1 . 2 . 3]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 102 ALA 0.279 0.025 13 0 "[ . 1 . 2 . 3]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.114 0.020 7 0 "[ . 1 . 2 . 3]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 GLN 0.227 0.025 13 0 "[ . 1 . 2 . 3]"
1 110 LYS 0.355 0.043 19 0 "[ . 1 . 2 . 3]"
1 112 ALA 0.352 0.037 19 0 "[ . 1 . 2 . 3]"
1 113 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ASN 0.066 0.025 12 0 "[ . 1 . 2 . 3]"
1 119 ASN 0.061 0.010 1 0 "[ . 1 . 2 . 3]"
1 122 GLU 0.091 0.013 17 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.008 0.007 7 0 "[ . 1 . 2 . 3]"
1 124 LEU 0.190 0.041 16 0 "[ . 1 . 2 . 3]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 126 ARG 0.043 0.013 17 0 "[ . 1 . 2 . 3]"
1 127 LYS 0.061 0.018 28 0 "[ . 1 . 2 . 3]"
1 128 SER 0.267 0.041 16 0 "[ . 1 . 2 . 3]"
1 129 GLU 0.011 0.007 1 0 "[ . 1 . 2 . 3]"
1 130 ALA 0.128 0.027 28 0 "[ . 1 . 2 . 3]"
1 131 GLN 0.104 0.018 28 0 "[ . 1 . 2 . 3]"
1 132 ALA 2.656 0.679 3 1 "[ + . 1 . 2 . 3]"
1 133 LYS 0.011 0.007 1 0 "[ . 1 . 2 . 3]"
1 134 LYS 0.114 0.027 28 0 "[ . 1 . 2 . 3]"
1 135 GLU 0.051 0.014 11 0 "[ . 1 . 2 . 3]"
1 136 LYS 2.580 0.679 3 1 "[ + . 1 . 2 . 3]"
2 1 THP 4.173 0.887 4 4 "[ +. 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 2.276 2.135 2.337 0.037 26 0 "[ . 1 . 2 . 3]" 2
2 1 13 THR O 1 26 MET H 1.900 . 2.300 2.107 2.060 2.222 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 13 THR H 1 26 MET O 1.900 . 2.300 2.327 2.297 2.364 0.064 21 0 "[ . 1 . 2 . 3]" 2
4 1 23 VAL H 1 34 PHE O 1.900 . 2.300 2.269 2.118 2.337 0.037 13 0 "[ . 1 . 2 . 3]" 2
5 1 25 LEU H 1 32 MET O 1.900 . 2.300 2.261 2.105 2.328 0.028 4 0 "[ . 1 . 2 . 3]" 2
6 1 27 TYR H 1 30 GLN O 1.900 . 2.300 2.117 2.068 2.229 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 27 TYR O 1 30 GLN H 1.900 . 2.300 2.198 2.085 2.317 0.017 17 0 "[ . 1 . 2 . 3]" 2
8 1 25 LEU O 1 32 MET H 1.900 . 2.300 2.272 2.096 2.333 0.033 6 0 "[ . 1 . 2 . 3]" 2
9 1 23 VAL O 1 34 PHE H 1.900 . 2.300 2.147 2.081 2.302 0.002 25 0 "[ . 1 . 2 . 3]" 2
10 1 35 ARG H 1 88 GLY O 1.900 . 2.300 2.258 2.101 2.338 0.038 30 0 "[ . 1 . 2 . 3]" 2
11 1 38 LEU O 1 112 ALA H 1.900 . 2.300 2.293 2.102 2.337 0.037 19 0 "[ . 1 . 2 . 3]" 2
12 1 40 ASP H 1 110 LYS O 1.900 . 2.300 2.160 2.089 2.343 0.043 19 0 "[ . 1 . 2 . 3]" 2
13 1 40 ASP O 1 110 LYS H 1.900 . 2.300 2.290 2.149 2.340 0.040 15 0 "[ . 1 . 2 . 3]" 2
14 1 16 LYS O 1 24 LYS H 1.900 . 2.300 2.179 2.084 2.318 0.018 28 0 "[ . 1 . 2 . 3]" 2
15 1 16 LYS H 1 24 LYS O 1.900 . 2.300 2.249 2.090 2.329 0.029 13 0 "[ . 1 . 2 . 3]" 2
16 1 81 ARG O 1 89 LEU H 1.900 . 2.300 2.192 2.097 2.303 0.003 2 0 "[ . 1 . 2 . 3]" 2
17 1 83 ASP H 1 87 ARG O 1.900 . 2.300 2.244 2.091 2.333 0.033 20 0 "[ . 1 . 2 . 3]" 2
18 1 10 GLU H 1 74 VAL O 1.900 . 2.300 2.164 2.067 2.305 0.005 10 0 "[ . 1 . 2 . 3]" 2
19 1 10 GLU O 1 74 VAL H 1.900 . 2.300 2.099 2.065 2.248 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 73 GLU O 1 93 TYR H 1.900 . 2.300 2.174 2.098 2.306 0.006 11 0 "[ . 1 . 2 . 3]" 2
21 1 73 GLU H 1 93 TYR O 1.900 . 2.300 2.284 2.143 2.334 0.034 19 0 "[ . 1 . 2 . 3]" 2
22 1 75 GLU H 1 91 TYR O 1.900 . 2.300 2.226 2.096 2.313 0.013 4 0 "[ . 1 . 2 . 3]" 2
23 1 75 GLU O 1 91 TYR H 1.900 . 2.300 2.212 2.096 2.309 0.009 13 0 "[ . 1 . 2 . 3]" 2
24 1 94 ALA H 1 97 LYS O 1.900 . 2.300 2.109 2.077 2.225 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 94 ALA O 1 97 LYS H 1.900 . 2.300 2.163 2.079 2.305 0.005 22 0 "[ . 1 . 2 . 3]" 2
26 1 92 ILE O 1 99 VAL H 1.900 . 2.300 2.166 2.102 2.313 0.013 4 0 "[ . 1 . 2 . 3]" 2
27 1 57 GLU O 1 61 PHE H 1.900 . 2.300 2.191 2.097 2.310 0.010 27 0 "[ . 1 . 2 . 3]" 2
28 1 58 ALA O 1 62 THR H 1.900 . 2.300 2.230 2.102 2.321 0.021 25 0 "[ . 1 . 2 . 3]" 2
29 1 59 SER O 1 63 LYS H 1.900 . 2.300 2.226 2.102 2.315 0.015 2 0 "[ . 1 . 2 . 3]" 2
30 1 60 ALA O 1 64 LYS H 1.900 . 2.300 2.183 2.094 2.300 0.000 19 0 "[ . 1 . 2 . 3]" 2
31 1 61 PHE O 1 65 MET H 1.900 . 2.300 2.215 2.101 2.325 0.025 4 0 "[ . 1 . 2 . 3]" 2
32 1 62 THR O 1 66 VAL H 1.900 . 2.300 2.180 2.086 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 63 LYS O 1 67 GLU H 1.900 . 2.300 2.194 2.092 2.315 0.015 23 0 "[ . 1 . 2 . 3]" 2
34 1 64 LYS O 1 68 ASN H 1.900 . 2.300 2.154 2.092 2.299 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 65 MET O 1 69 ALA H 1.900 . 2.300 2.208 2.101 2.315 0.015 24 0 "[ . 1 . 2 . 3]" 2
36 1 98 MET O 1 102 ALA H 1.900 . 2.300 2.172 2.073 2.325 0.025 13 0 "[ . 1 . 2 . 3]" 2
37 1 99 VAL O 1 103 LEU H 1.900 . 2.300 2.195 2.093 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 100 ASN O 1 104 VAL H 1.900 . 2.300 2.262 2.124 2.320 0.020 7 0 "[ . 1 . 2 . 3]" 2
39 1 101 GLU O 1 105 ARG H 1.900 . 2.300 2.133 2.092 2.230 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 102 ALA O 1 106 GLN H 1.900 . 2.300 2.287 2.130 2.325 0.025 13 0 "[ . 1 . 2 . 3]" 2
41 1 122 GLU O 1 126 ARG H 1.900 . 2.300 2.191 2.085 2.313 0.013 17 0 "[ . 1 . 2 . 3]" 2
42 1 124 LEU O 1 128 SER H 1.900 . 2.300 2.249 2.110 2.341 0.041 16 0 "[ . 1 . 2 . 3]" 2
43 1 123 GLN O 1 127 LYS H 1.900 . 2.300 2.193 2.075 2.307 0.007 7 0 "[ . 1 . 2 . 3]" 2
44 1 130 ALA O 1 134 LYS H 1.900 . 2.300 2.262 2.157 2.327 0.027 28 0 "[ . 1 . 2 . 3]" 2
45 1 131 GLN O 1 135 GLU H 1.900 . 2.300 2.213 2.102 2.314 0.014 11 0 "[ . 1 . 2 . 3]" 2
46 1 132 ALA O 1 136 LYS H 1.900 . 2.300 2.352 2.105 2.979 0.679 3 1 "[ + . 1 . 2 . 3]" 2
47 1 125 LEU O 1 129 GLU H 1.900 . 2.300 2.158 2.083 2.297 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 126 ARG O 1 130 ALA H 1.900 . 2.300 2.189 2.092 2.309 0.009 24 0 "[ . 1 . 2 . 3]" 2
49 1 127 LYS O 1 131 GLN H 1.900 . 2.300 2.241 2.103 2.318 0.018 28 0 "[ . 1 . 2 . 3]" 2
50 1 128 SER O 1 132 ALA H 1.900 . 2.300 2.244 2.095 2.336 0.036 17 0 "[ . 1 . 2 . 3]" 2
51 1 129 GLU O 1 133 LYS H 1.900 . 2.300 2.192 2.097 2.307 0.007 1 0 "[ . 1 . 2 . 3]" 2
52 1 33 THR O 1 88 GLY H 1.900 . 2.300 2.167 2.093 2.322 0.022 16 0 "[ . 1 . 2 . 3]" 2
53 1 83 ASP O 1 86 GLY H 1.900 . 2.300 2.248 2.091 2.330 0.030 19 0 "[ . 1 . 2 . 3]" 2
54 1 119 ASN O 1 122 GLU H 1.900 . 2.300 2.237 2.098 2.310 0.010 1 0 "[ . 1 . 2 . 3]" 2
55 1 18 ILE H 1 22 THR O 1.900 . 2.300 2.173 2.079 2.329 0.029 15 0 "[ . 1 . 2 . 3]" 2
56 1 19 ASP H 1 22 THR O 1.900 . 2.300 2.187 2.093 2.303 0.003 25 0 "[ . 1 . 2 . 3]" 2
57 1 79 GLY H 1 118 ASN OD1 1.900 . 2.300 2.240 2.103 2.325 0.025 12 0 "[ . 1 . 2 . 3]" 2
58 1 12 ALA N 1 72 ILE O 2.900 2.400 3.300 2.847 2.600 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 13 THR O 1 26 MET N 2.900 2.400 3.300 2.867 2.595 3.057 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 13 THR N 1 26 MET O 2.900 2.400 3.300 3.033 2.902 3.186 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 23 VAL N 1 34 PHE O 2.900 2.400 3.300 3.192 3.053 3.283 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 25 LEU N 1 32 MET O 2.900 2.400 3.300 3.148 2.937 3.264 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 27 TYR N 1 30 GLN O 2.900 2.400 3.300 3.002 2.828 3.110 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 27 TYR O 1 30 GLN N 2.900 2.400 3.300 2.863 2.651 3.049 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 25 LEU O 1 32 MET N 2.900 2.400 3.300 3.197 2.945 3.307 0.007 6 0 "[ . 1 . 2 . 3]" 2
66 1 23 VAL O 1 34 PHE N 2.900 2.400 3.300 3.039 2.865 3.154 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 35 ARG N 1 88 GLY O 2.900 2.400 3.300 3.157 2.964 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 38 LEU O 1 112 ALA N 2.900 2.400 3.300 3.160 2.955 3.255 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 40 ASP N 1 110 LYS O 2.900 2.400 3.300 2.913 2.661 3.143 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 40 ASP O 1 110 LYS N 2.900 2.400 3.300 3.234 3.022 3.302 0.002 15 0 "[ . 1 . 2 . 3]" 2
71 1 16 LYS O 1 24 LYS N 2.900 2.400 3.300 3.104 2.991 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 16 LYS N 1 24 LYS O 2.900 2.400 3.300 3.191 3.040 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 81 ARG O 1 89 LEU N 2.900 2.400 3.300 3.121 2.994 3.264 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 83 ASP N 1 87 ARG O 2.900 2.400 3.300 3.090 2.933 3.196 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 10 GLU N 1 74 VAL O 2.900 2.400 3.300 3.105 2.915 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 10 GLU O 1 74 VAL N 2.900 2.400 3.300 2.822 2.673 2.992 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 73 GLU O 1 93 TYR N 2.900 2.400 3.300 3.001 2.772 3.226 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 73 GLU N 1 93 TYR O 2.900 2.400 3.300 3.230 3.057 3.293 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 75 GLU N 1 91 TYR O 2.900 2.400 3.300 2.959 2.703 3.158 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 75 GLU O 1 91 TYR N 2.900 2.400 3.300 3.136 2.923 3.232 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 94 ALA N 1 97 LYS O 2.900 2.400 3.300 2.914 2.730 3.083 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 94 ALA O 1 97 LYS N 2.900 2.400 3.300 3.005 2.910 3.172 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 92 ILE O 1 99 VAL N 2.900 2.400 3.300 3.052 2.914 3.231 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 57 GLU O 1 61 PHE N 2.900 2.400 3.300 2.997 2.745 3.188 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 58 ALA O 1 62 THR N 2.900 2.400 3.300 3.163 2.988 3.274 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 59 SER O 1 63 LYS N 2.900 2.400 3.300 2.995 2.748 3.179 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 60 ALA O 1 64 LYS N 2.900 2.400 3.300 3.128 2.973 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 61 PHE O 1 65 MET N 2.900 2.400 3.300 3.076 2.903 3.198 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 62 THR O 1 66 VAL N 2.900 2.400 3.300 3.073 2.909 3.227 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 63 LYS O 1 67 GLU N 2.900 2.400 3.300 3.009 2.851 3.165 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 64 LYS O 1 68 ASN N 2.900 2.400 3.300 2.983 2.884 3.175 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 65 MET O 1 69 ALA N 2.900 2.400 3.300 2.821 2.612 3.088 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 98 MET O 1 102 ALA N 2.900 2.400 3.300 3.012 2.841 3.172 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 99 VAL O 1 103 LEU N 2.900 2.400 3.300 3.124 2.997 3.245 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 100 ASN O 1 104 VAL N 2.900 2.400 3.300 3.231 3.079 3.292 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 101 GLU O 1 105 ARG N 2.900 2.400 3.300 2.927 2.734 3.101 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 102 ALA O 1 106 GLN N 2.900 2.400 3.300 3.157 2.995 3.244 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 122 GLU O 1 126 ARG N 2.900 2.400 3.300 2.957 2.817 3.212 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 124 LEU O 1 128 SER N 2.900 2.400 3.300 3.186 3.029 3.296 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 123 GLN O 1 127 LYS N 2.900 2.400 3.300 3.113 2.978 3.282 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 130 ALA O 1 134 LYS N 2.900 2.400 3.300 3.204 3.089 3.284 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 131 GLN O 1 135 GLU N 2.900 2.400 3.300 2.992 2.795 3.180 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 132 ALA O 1 136 LYS N 2.900 2.400 3.300 2.955 2.676 3.302 0.002 3 0 "[ . 1 . 2 . 3]" 2
104 1 125 LEU O 1 129 GLU N 2.900 2.400 3.300 3.005 2.825 3.184 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 126 ARG O 1 130 ALA N 2.900 2.400 3.300 3.116 2.931 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 127 LYS O 1 131 GLN N 2.900 2.400 3.300 3.121 2.963 3.261 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 128 SER O 1 132 ALA N 2.900 2.400 3.300 3.163 3.053 3.284 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 129 GLU O 1 133 LYS N 2.900 2.400 3.300 3.021 2.820 3.231 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 33 THR O 1 88 GLY N 2.900 2.400 3.300 3.006 2.849 3.189 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 83 ASP O 1 86 GLY N 2.900 2.400 3.300 3.174 3.018 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 119 ASN O 1 122 GLU N 2.900 2.400 3.300 3.010 2.700 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 18 ILE N 1 22 THR O 2.900 2.400 3.300 3.055 2.807 3.255 . 0 0 "[ . 1 . 2 . 3]" 2
113 1 19 ASP N 1 22 THR O 2.900 2.400 3.300 3.076 2.909 3.270 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 79 GLY N 1 118 ASN OD1 2.900 2.400 3.300 2.833 2.704 2.963 . 0 0 "[ . 1 . 2 . 3]" 2
115 2 1 THP H3' 2 1 THP H4' 2.670 . 2.700 2.732 2.721 2.744 0.044 29 0 "[ . 1 . 2 . 3]" 2
116 2 1 THP H1' 2 1 THP H3' 3.840 . 5.300 3.935 3.886 3.963 . 0 0 "[ . 1 . 2 . 3]" 2
117 2 1 THP H1' 2 1 THP H4' 3.630 . 5.300 3.585 3.514 3.642 . 0 0 "[ . 1 . 2 . 3]" 2
118 2 1 THP H1' 2 1 THP H6 3.750 . 5.300 3.650 3.600 3.709 . 0 0 "[ . 1 . 2 . 3]" 2
119 2 1 THP H4' 2 1 THP H6 3.990 . 5.300 3.860 3.748 4.052 . 0 0 "[ . 1 . 2 . 3]" 2
120 2 1 THP H3' 2 1 THP H6 4.440 . 5.300 4.105 3.862 4.274 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 85 TYR QD 2 1 THP H1' 3.800 . 5.300 4.677 3.760 5.240 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 85 TYR QE 2 1 THP H1' 3.500 . 5.300 4.171 3.684 4.718 . 0 0 "[ . 1 . 2 . 3]" 2
123 1 85 TYR QD 2 1 THP H4' 3.900 . 5.300 3.397 2.174 4.268 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 85 TYR QE 2 1 THP H4' 3.000 . 3.500 2.244 2.026 3.107 . 0 0 "[ . 1 . 2 . 3]" 2
125 1 113 TYR HE1 2 1 THP H3' 3.770 . 5.300 3.271 2.197 4.120 . 0 0 "[ . 1 . 2 . 3]" 2
126 1 113 TYR HE1 2 1 THP H1' 5.800 . 6.500 5.181 4.921 5.530 . 0 0 "[ . 1 . 2 . 3]" 2
127 1 35 ARG HD3 2 1 THP H6 5.500 . 6.500 6.192 5.285 6.504 0.004 10 0 "[ . 1 . 2 . 3]" 2
128 1 87 ARG NH2 2 1 THP O5' 2.900 2.400 3.300 3.245 2.767 4.187 0.887 4 4 "[ +. 1 . *2- . * 3]" 2
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