NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381197 |
1itf   |
4081 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1itf
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 1536
_Distance_constraint_stats_list.Viol_count 5522
_Distance_constraint_stats_list.Viol_total 11381.265
_Distance_constraint_stats_list.Viol_max 0.825
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.0859
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 10.284 0.429 5 0 "[ . 1 . 2 ]"
1 2 ASP 8.484 0.429 5 0 "[ . 1 . 2 ]"
1 3 LEU 3.108 0.670 3 2 "[ + . 1 - . 2 ]"
1 4 PRO 1.566 0.670 3 2 "[ + . 1 - . 2 ]"
1 5 GLN 1.504 0.155 19 0 "[ . 1 . 2 ]"
1 6 THR 0.999 0.144 18 0 "[ . 1 . 2 ]"
1 7 HIS 4.017 0.156 7 0 "[ . 1 . 2 ]"
1 8 SER 1.480 0.156 14 0 "[ . 1 . 2 ]"
1 9 LEU 0.725 0.264 10 0 "[ . 1 . 2 ]"
1 10 GLY 0.264 0.264 10 0 "[ . 1 . 2 ]"
1 11 SER 3.845 0.283 8 0 "[ . 1 . 2 ]"
1 12 ARG 0.524 0.058 7 0 "[ . 1 . 2 ]"
1 13 ARG 0.069 0.069 3 0 "[ . 1 . 2 ]"
1 14 THR 5.871 0.419 6 0 "[ . 1 . 2 ]"
1 15 LEU 17.457 0.421 2 0 "[ . 1 . 2 ]"
1 16 MET 1.825 0.069 3 0 "[ . 1 . 2 ]"
1 17 LEU 7.349 0.419 6 0 "[ . 1 . 2 ]"
1 18 LEU 6.703 0.278 14 0 "[ . 1 . 2 ]"
1 19 ALA 2.071 0.081 18 0 "[ . 1 . 2 ]"
1 20 GLN 0.611 0.042 16 0 "[ . 1 . 2 ]"
1 21 MET 8.299 0.293 22 0 "[ . 1 . 2 ]"
1 22 ARG 5.645 0.517 23 2 "[ . 1 - . 2 + ]"
1 23 LYS 12.941 0.596 8 6 "[ -. *+*1 * 2* ]"
1 24 ILE 9.075 0.580 7 3 "[ . +*-1 . 2 ]"
1 25 SER 8.813 0.557 4 4 "[ +. - 1 * . 2 * ]"
1 26 LEU 4.195 0.557 4 2 "[ +. - 1 . 2 ]"
1 27 PHE 9.391 0.507 8 1 "[ . + 1 . 2 ]"
1 28 SER 1.167 0.262 8 0 "[ . 1 . 2 ]"
1 29 CYS 1.790 0.084 5 0 "[ . 1 . 2 ]"
1 30 LEU 16.650 0.441 16 0 "[ . 1 . 2 ]"
1 31 LYS 10.417 0.352 24 0 "[ . 1 . 2 ]"
1 32 ASP 6.173 0.282 4 0 "[ . 1 . 2 ]"
1 33 ARG 4.176 0.302 23 0 "[ . 1 . 2 ]"
1 34 HIS 1.402 0.193 9 0 "[ . 1 . 2 ]"
1 35 ASP 0.340 0.052 24 0 "[ . 1 . 2 ]"
1 36 PHE 4.513 0.289 2 0 "[ . 1 . 2 ]"
1 37 GLY 0.192 0.030 2 0 "[ . 1 . 2 ]"
1 38 PHE 7.222 0.224 11 0 "[ . 1 . 2 ]"
1 39 PRO 3.314 0.135 22 0 "[ . 1 . 2 ]"
1 40 GLN 4.925 0.247 18 0 "[ . 1 . 2 ]"
1 41 GLU 0.614 0.058 9 0 "[ . 1 . 2 ]"
1 42 GLU 3.713 0.542 4 1 "[ +. 1 . 2 ]"
1 43 PHE 18.846 0.413 1 0 "[ . 1 . 2 ]"
1 44 GLY 5.972 0.338 12 0 "[ . 1 . 2 ]"
1 45 ASN 2.987 0.177 2 0 "[ . 1 . 2 ]"
1 46 GLN 0.566 0.073 21 0 "[ . 1 . 2 ]"
1 47 PHE 3.242 0.369 15 0 "[ . 1 . 2 ]"
1 48 GLN 0.550 0.086 21 0 "[ . 1 . 2 ]"
1 49 LYS 1.356 0.349 3 0 "[ . 1 . 2 ]"
1 50 ALA 3.731 0.349 3 0 "[ . 1 . 2 ]"
1 51 GLU 3.887 0.179 11 0 "[ . 1 . 2 ]"
1 52 THR 6.680 0.369 15 0 "[ . 1 . 2 ]"
1 53 ILE 4.257 0.279 15 0 "[ . 1 . 2 ]"
1 54 PRO 1.968 0.110 9 0 "[ . 1 . 2 ]"
1 55 VAL 18.105 0.413 1 0 "[ . 1 . 2 ]"
1 56 LEU 11.184 0.535 2 2 "[ + -. 1 . 2 ]"
1 57 HIS 0.822 0.270 10 0 "[ . 1 . 2 ]"
1 58 GLU 0.774 0.084 2 0 "[ . 1 . 2 ]"
1 59 MET 3.854 0.382 2 0 "[ . 1 . 2 ]"
1 60 ILE 19.266 0.449 2 0 "[ . 1 . 2 ]"
1 61 GLN 0.572 0.205 16 0 "[ . 1 . 2 ]"
1 62 GLN 11.363 0.584 5 2 "[ - + 1 . 2 ]"
1 63 ILE 2.435 0.195 5 0 "[ . 1 . 2 ]"
1 64 PHE 12.640 0.346 14 0 "[ . 1 . 2 ]"
1 65 ASN 5.120 0.104 4 0 "[ . 1 . 2 ]"
1 66 LEU 4.969 0.201 15 0 "[ . 1 . 2 ]"
1 67 PHE 13.929 0.342 1 0 "[ . 1 . 2 ]"
1 68 SER 2.081 0.068 11 0 "[ . 1 . 2 ]"
1 69 THR 1.146 0.089 18 0 "[ . 1 . 2 ]"
1 70 LYS 1.336 0.067 18 0 "[ . 1 . 2 ]"
1 71 ASP 3.222 0.089 18 0 "[ . 1 . 2 ]"
1 72 SER 3.834 0.137 24 0 "[ . 1 . 2 ]"
1 73 SER 12.677 0.292 13 0 "[ . 1 . 2 ]"
1 74 ALA 3.451 0.138 4 0 "[ . 1 . 2 ]"
1 75 ALA 4.372 0.156 21 0 "[ . 1 . 2 ]"
1 76 TRP 18.976 0.596 8 5 "[ -. +*1 * 2* ]"
1 77 ASP 1.172 0.111 17 0 "[ . 1 . 2 ]"
1 78 GLU 4.517 0.255 1 0 "[ . 1 . 2 ]"
1 79 THR 2.057 0.111 20 0 "[ . 1 . 2 ]"
1 80 LEU 0.725 0.111 17 0 "[ . 1 . 2 ]"
1 81 LEU 23.102 0.342 1 0 "[ . 1 . 2 ]"
1 82 ASP 4.801 0.190 23 0 "[ . 1 . 2 ]"
1 83 LYS 2.517 0.560 19 2 "[- . 1 . +2 ]"
1 84 PHE 11.293 0.560 19 2 "[- . 1 . +2 ]"
1 85 TYR 3.881 0.190 23 0 "[ . 1 . 2 ]"
1 86 THR 4.010 0.100 15 0 "[ . 1 . 2 ]"
1 87 GLU 3.843 0.527 17 4 "[ . *1 * . + -2 ]"
1 88 LEU 24.149 0.527 17 4 "[ . *1 * . + -2 ]"
1 89 TYR 8.798 0.825 6 2 "[ .+ 1 -. 2 ]"
1 90 GLN 2.187 0.094 3 0 "[ . 1 . 2 ]"
1 91 GLN 1.193 0.105 18 0 "[ . 1 . 2 ]"
1 92 LEU 12.728 0.825 6 2 "[ .+ 1 -. 2 ]"
1 93 ASN 1.623 0.094 3 0 "[ . 1 . 2 ]"
1 94 ASP 2.159 0.246 18 0 "[ . 1 . 2 ]"
1 95 LEU 5.390 0.270 10 0 "[ . 1 . 2 ]"
1 96 GLU 4.092 0.134 15 0 "[ . 1 . 2 ]"
1 97 ALA 3.140 0.134 15 0 "[ . 1 . 2 ]"
1 98 CYS 6.538 0.289 21 0 "[ . 1 . 2 ]"
1 99 VAL 1.452 0.115 19 0 "[ . 1 . 2 ]"
1 100 ILE 15.432 0.683 21 11 "[* *. -* 1 *. ** 2+***]"
1 101 GLN 8.737 0.683 21 11 "[* *. -* 1 *. ** 2+***]"
1 102 GLY 0.945 0.191 21 0 "[ . 1 . 2 ]"
1 103 VAL 4.053 0.348 24 0 "[ . 1 . 2 ]"
1 104 GLY 5.543 0.397 7 0 "[ . 1 . 2 ]"
1 105 VAL 4.818 0.397 7 0 "[ . 1 . 2 ]"
1 106 THR 4.431 0.403 3 0 "[ . 1 . 2 ]"
1 107 GLU 2.646 0.403 3 0 "[ . 1 . 2 ]"
1 108 THR 0.675 0.131 24 0 "[ . 1 . 2 ]"
1 109 PRO 1.767 0.335 21 0 "[ . 1 . 2 ]"
1 110 LEU 2.645 0.335 21 0 "[ . 1 . 2 ]"
1 111 MET 1.995 0.171 17 0 "[ . 1 . 2 ]"
1 112 LYS 1.144 0.140 3 0 "[ . 1 . 2 ]"
1 113 GLU 0.487 0.070 4 0 "[ . 1 . 2 ]"
1 114 ASP 1.699 0.133 14 0 "[ . 1 . 2 ]"
1 115 SER 6.367 0.409 4 0 "[ . 1 . 2 ]"
1 116 ILE 1.506 0.090 8 0 "[ . 1 . 2 ]"
1 117 LEU 2.882 0.176 22 0 "[ . 1 . 2 ]"
1 118 ALA 1.899 0.139 13 0 "[ . 1 . 2 ]"
1 119 VAL 6.696 0.230 24 0 "[ . 1 . 2 ]"
1 120 ARG 1.447 0.064 15 0 "[ . 1 . 2 ]"
1 121 LYS 3.637 0.139 13 0 "[ . 1 . 2 ]"
1 122 TYR 2.380 0.129 13 0 "[ . 1 . 2 ]"
1 123 PHE 3.361 0.113 9 0 "[ . 1 . 2 ]"
1 124 GLN 3.066 0.097 24 0 "[ . 1 . 2 ]"
1 125 ARG 3.993 0.099 22 0 "[ . 1 . 2 ]"
1 126 ILE 11.483 0.337 8 0 "[ . 1 . 2 ]"
1 127 THR 2.564 0.136 11 0 "[ . 1 . 2 ]"
1 128 LEU 7.825 0.782 8 6 "[* *. + 1 * - 2* ]"
1 129 TYR 7.323 0.653 8 3 "[ . + 1 * - 2 ]"
1 130 LEU 5.464 0.201 15 0 "[ . 1 . 2 ]"
1 131 LYS 5.106 0.782 8 4 "[* -. + 1 . 2* ]"
1 132 GLU 11.086 0.548 8 4 "[ * +-1 . 2 *]"
1 133 LYS 11.414 0.548 8 4 "[ * +-1 . 2 *]"
1 134 LYS 4.396 0.138 20 0 "[ . 1 . 2 ]"
1 135 TYR 2.180 0.176 1 0 "[ . 1 . 2 ]"
1 136 SER 0.892 0.213 1 0 "[ . 1 . 2 ]"
1 137 PRO 3.733 0.152 14 0 "[ . 1 . 2 ]"
1 138 CYS 4.347 0.163 18 0 "[ . 1 . 2 ]"
1 139 ALA 0.581 0.213 1 0 "[ . 1 . 2 ]"
1 140 TRP 5.075 0.176 1 0 "[ . 1 . 2 ]"
1 141 GLU 0.467 0.082 18 0 "[ . 1 . 2 ]"
1 142 VAL 8.537 0.302 23 0 "[ . 1 . 2 ]"
1 143 VAL 12.163 0.337 8 0 "[ . 1 . 2 ]"
1 144 ARG 4.764 0.379 8 0 "[ . 1 . 2 ]"
1 145 ALA 6.019 0.379 8 0 "[ . 1 . 2 ]"
1 146 GLU 4.854 0.402 11 0 "[ . 1 . 2 ]"
1 147 ILE 4.946 0.188 17 0 "[ . 1 . 2 ]"
1 148 MET 14.436 0.536 23 7 "[* * * *1 * . 2 -+ ]"
1 149 ARG 6.586 0.215 16 0 "[ . 1 . 2 ]"
1 150 SER 8.450 0.382 2 0 "[ . 1 . 2 ]"
1 151 PHE 21.169 0.421 2 0 "[ . 1 . 2 ]"
1 152 SER 2.883 0.110 20 0 "[ . 1 . 2 ]"
1 153 LEU 9.788 0.322 12 0 "[ . 1 . 2 ]"
1 154 SER 10.808 0.535 2 3 "[ + *. - 1 . 2 ]"
1 155 THR 0.868 0.098 13 0 "[ . 1 . 2 ]"
1 156 ASN 0.490 0.070 5 0 "[ . 1 . 2 ]"
1 157 LEU 4.891 0.303 4 0 "[ . 1 . 2 ]"
1 158 GLN 0.084 0.036 3 0 "[ . 1 . 2 ]"
1 159 GLU 12.870 0.824 22 11 "[ **** * * * -*2 + *]"
1 160 SER 13.848 0.824 22 11 "[ **** * * * -*2 + *]"
1 161 LEU 1.180 0.185 20 0 "[ . 1 . 2 ]"
1 162 ARG 0.200 0.056 14 0 "[ . 1 . 2 ]"
1 163 SER 0.200 0.056 14 0 "[ . 1 . 2 ]"
1 164 LYS 0.570 0.286 22 0 "[ . 1 . 2 ]"
1 165 GLU 0.570 0.286 22 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS HA 1 2 ASP H 2.700 . 2.700 2.770 2.428 2.885 0.185 7 0 "[ . 1 . 2 ]" 1
2 1 1 CYS HB2 1 2 ASP H 3.200 . 3.200 3.199 2.029 3.629 0.429 5 0 "[ . 1 . 2 ]" 1
3 1 1 CYS HB3 1 2 ASP H 3.500 . 3.500 2.599 1.986 3.638 0.138 15 0 "[ . 1 . 2 ]" 1
4 1 2 ASP HA 1 3 LEU H 2.500 . 2.500 2.453 2.255 2.617 0.117 1 0 "[ . 1 . 2 ]" 1
5 1 2 ASP QB 1 3 LEU H 4.800 . 4.800 3.938 3.676 4.072 . 0 0 "[ . 1 . 2 ]" 1
6 1 2 ASP H 1 3 LEU H 3.800 . 3.800 3.518 2.770 3.857 0.057 13 0 "[ . 1 . 2 ]" 1
7 1 3 LEU H 1 4 PRO HD3 3.650 . 3.650 2.898 2.235 3.896 0.246 3 0 "[ . 1 . 2 ]" 1
8 1 4 PRO HA 1 5 GLN H 3.000 . 3.000 2.353 2.239 2.526 . 0 0 "[ . 1 . 2 ]" 1
9 1 5 GLN H 1 5 GLN QG 5.000 . 5.000 2.608 1.845 4.206 0.155 19 0 "[ . 1 . 2 ]" 1
10 1 5 GLN H 1 6 THR H 3.900 . 3.900 3.619 2.740 3.940 0.040 10 0 "[ . 1 . 2 ]" 1
11 1 4 PRO HB2 1 6 THR H 4.000 . 4.000 3.706 2.844 4.058 0.058 12 0 "[ . 1 . 2 ]" 1
12 1 5 GLN HA 1 6 THR H 2.500 . 2.500 2.448 2.290 2.644 0.144 18 0 "[ . 1 . 2 ]" 1
13 1 5 GLN QB 1 6 THR H 4.800 . 4.800 3.962 3.797 4.076 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 GLN QG 1 6 THR H 5.200 . 5.200 4.185 3.520 4.673 . 0 0 "[ . 1 . 2 ]" 1
15 1 6 THR H 1 6 THR MG 4.000 . 4.000 2.862 2.432 3.238 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 THR H 1 7 HIS H 3.000 . 3.000 2.558 1.974 3.083 0.083 12 0 "[ . 1 . 2 ]" 1
17 1 6 THR MG 1 7 HIS H 6.000 . 6.000 4.029 3.644 4.405 . 0 0 "[ . 1 . 2 ]" 1
18 1 7 HIS H 1 7 HIS HB3 3.600 . 3.600 3.593 2.606 3.755 0.155 1 0 "[ . 1 . 2 ]" 1
19 1 7 HIS H 1 7 HIS HB2 3.500 . 3.500 2.862 2.389 3.656 0.156 7 0 "[ . 1 . 2 ]" 1
20 1 7 HIS H 1 7 HIS HD2 3.500 . 3.500 2.898 1.951 3.550 0.050 23 0 "[ . 1 . 2 ]" 1
21 1 7 HIS HA 1 8 SER H 2.900 . 2.900 2.577 2.390 2.725 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 HIS HB3 1 8 SER H 3.350 . 3.350 2.554 1.992 3.500 0.150 14 0 "[ . 1 . 2 ]" 1
23 1 7 HIS HB2 1 8 SER H 3.250 . 3.250 3.032 1.984 3.355 0.105 15 0 "[ . 1 . 2 ]" 1
24 1 8 SER HA 1 9 LEU H 3.000 . 3.000 2.521 2.194 3.075 0.075 9 0 "[ . 1 . 2 ]" 1
25 1 8 SER QB 1 9 LEU H 4.000 . 4.000 2.920 1.844 3.730 0.156 14 0 "[ . 1 . 2 ]" 1
26 1 9 LEU H 1 9 LEU QD 6.200 . 6.200 2.824 1.990 4.163 0.010 14 0 "[ . 1 . 2 ]" 1
27 1 9 LEU HA 1 10 GLY H 3.200 . 3.200 2.551 2.191 3.464 0.264 10 0 "[ . 1 . 2 ]" 1
28 1 9 LEU MD2 1 10 GLY H 5.800 . 5.800 4.358 3.512 4.920 . 0 0 "[ . 1 . 2 ]" 1
29 1 11 SER H 1 12 ARG H 3.150 . 3.150 2.636 2.250 2.897 . 0 0 "[ . 1 . 2 ]" 1
30 1 9 LEU HA 1 12 ARG H 4.800 . 4.800 3.962 2.932 4.820 0.020 19 0 "[ . 1 . 2 ]" 1
31 1 11 SER HA 1 12 ARG H 3.550 . 3.550 3.570 3.535 3.608 0.058 7 0 "[ . 1 . 2 ]" 1
32 1 12 ARG H 1 13 ARG H 2.900 . 2.900 2.668 2.562 2.794 . 0 0 "[ . 1 . 2 ]" 1
33 1 13 ARG H 1 14 THR H 2.900 . 2.900 2.570 2.520 2.601 . 0 0 "[ . 1 . 2 ]" 1
34 1 14 THR H 1 14 THR MG 4.900 . 4.900 3.757 3.735 3.771 . 0 0 "[ . 1 . 2 ]" 1
35 1 14 THR H 1 15 LEU H 3.100 . 3.100 2.681 2.547 2.784 . 0 0 "[ . 1 . 2 ]" 1
36 1 14 THR HA 1 15 LEU H 3.500 . 3.500 3.574 3.558 3.583 0.083 9 0 "[ . 1 . 2 ]" 1
37 1 14 THR HB 1 15 LEU H 3.370 . 3.370 2.548 2.472 2.692 . 0 0 "[ . 1 . 2 ]" 1
38 1 14 THR MG 1 15 LEU H 6.000 . 6.000 3.500 3.245 3.684 . 0 0 "[ . 1 . 2 ]" 1
39 1 15 LEU H 1 15 LEU HG 3.150 . 3.150 2.336 2.255 2.499 . 0 0 "[ . 1 . 2 ]" 1
40 1 15 LEU H 1 15 LEU MD1 5.300 . 5.300 3.425 3.204 3.577 . 0 0 "[ . 1 . 2 ]" 1
41 1 15 LEU H 1 16 MET H 3.200 . 3.200 2.584 2.509 2.682 . 0 0 "[ . 1 . 2 ]" 1
42 1 15 LEU HB2 1 16 MET H 3.550 . 3.550 2.872 2.738 2.966 . 0 0 "[ . 1 . 2 ]" 1
43 1 14 THR HA 1 17 LEU H 3.650 . 3.650 3.468 3.384 3.579 . 0 0 "[ . 1 . 2 ]" 1
44 1 16 MET HA 1 17 LEU H 3.500 . 3.500 3.555 3.536 3.567 0.067 2 0 "[ . 1 . 2 ]" 1
45 1 16 MET H 1 17 LEU H 3.100 . 3.100 2.601 2.536 2.653 . 0 0 "[ . 1 . 2 ]" 1
46 1 15 LEU HA 1 18 LEU H 3.500 . 3.500 3.125 2.980 3.250 . 0 0 "[ . 1 . 2 ]" 1
47 1 18 LEU H 1 18 LEU MD1 5.300 . 5.300 3.381 3.249 3.485 . 0 0 "[ . 1 . 2 ]" 1
48 1 18 LEU H 1 18 LEU MD2 5.470 . 5.470 3.617 3.488 3.914 . 0 0 "[ . 1 . 2 ]" 1
49 1 17 LEU H 1 18 LEU H 3.200 . 3.200 2.645 2.580 2.730 . 0 0 "[ . 1 . 2 ]" 1
50 1 18 LEU H 1 148 MET ME 6.000 . 6.000 3.781 3.574 3.969 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 MET HA 1 19 ALA H 3.270 . 3.270 3.262 3.055 3.326 0.056 17 0 "[ . 1 . 2 ]" 1
52 1 18 LEU HA 1 19 ALA H 3.500 . 3.500 3.562 3.539 3.581 0.081 18 0 "[ . 1 . 2 ]" 1
53 1 18 LEU HB2 1 19 ALA H 3.100 . 3.100 2.779 2.636 2.948 . 0 0 "[ . 1 . 2 ]" 1
54 1 18 LEU MD1 1 19 ALA H 6.000 . 6.000 4.542 4.421 4.722 . 0 0 "[ . 1 . 2 ]" 1
55 1 18 LEU MD2 1 19 ALA H 7.000 . 7.000 4.770 4.711 4.838 . 0 0 "[ . 1 . 2 ]" 1
56 1 18 LEU H 1 19 ALA H 3.000 . 3.000 2.731 2.674 2.793 . 0 0 "[ . 1 . 2 ]" 1
57 1 19 ALA H 1 148 MET ME 4.000 . 4.000 2.540 2.277 2.725 . 0 0 "[ . 1 . 2 ]" 1
58 1 19 ALA MB 1 20 GLN H 4.400 . 4.400 2.604 2.406 2.805 . 0 0 "[ . 1 . 2 ]" 1
59 1 20 GLN H 1 20 GLN HB2 2.700 . 2.700 2.521 2.493 2.556 . 0 0 "[ . 1 . 2 ]" 1
60 1 20 GLN H 1 20 GLN HG3 2.900 . 2.900 2.158 2.060 2.352 . 0 0 "[ . 1 . 2 ]" 1
61 1 20 GLN H 1 20 GLN HG2 3.300 . 3.300 3.310 2.931 3.342 0.042 16 0 "[ . 1 . 2 ]" 1
62 1 20 GLN H 1 21 MET H 3.000 . 3.000 2.618 2.515 2.753 . 0 0 "[ . 1 . 2 ]" 1
63 1 20 GLN HE21 1 80 LEU MD1 7.200 . 7.200 5.310 3.491 5.897 . 0 0 "[ . 1 . 2 ]" 1
64 1 20 GLN HE21 1 80 LEU MD2 7.200 . 7.200 3.951 2.155 4.666 . 0 0 "[ . 1 . 2 ]" 1
65 1 20 GLN HE22 1 80 LEU MD1 7.500 . 7.500 5.732 4.728 6.097 . 0 0 "[ . 1 . 2 ]" 1
66 1 20 GLN HE22 1 80 LEU MD2 7.200 . 7.200 3.947 3.028 4.467 . 0 0 "[ . 1 . 2 ]" 1
67 1 18 LEU HA 1 21 MET H 3.600 . 3.600 3.390 3.116 3.646 0.046 21 0 "[ . 1 . 2 ]" 1
68 1 21 MET H 1 22 ARG H 3.000 . 3.000 2.681 2.547 3.009 0.009 22 0 "[ . 1 . 2 ]" 1
69 1 22 ARG HA 1 23 LYS H 3.600 . 3.600 2.195 2.157 2.249 . 0 0 "[ . 1 . 2 ]" 1
70 1 22 ARG HA 1 24 ILE H 3.700 . 3.700 3.751 3.729 3.779 0.079 5 0 "[ . 1 . 2 ]" 1
71 1 23 LYS H 1 24 ILE H 3.500 . 3.500 2.195 2.006 2.356 . 0 0 "[ . 1 . 2 ]" 1
72 1 23 LYS HA 1 24 ILE H 3.500 . 3.500 3.547 3.526 3.562 0.062 14 0 "[ . 1 . 2 ]" 1
73 1 23 LYS HB3 1 24 ILE H 3.600 . 3.600 3.717 3.146 4.180 0.580 7 3 "[ . +*-1 . 2 ]" 1
74 1 24 ILE H 1 24 ILE HB 3.650 . 3.650 3.684 3.641 3.760 0.110 16 0 "[ . 1 . 2 ]" 1
75 1 24 ILE H 1 24 ILE QG 4.500 . 4.500 1.955 1.830 2.070 0.170 13 0 "[ . 1 . 2 ]" 1
76 1 24 ILE H 1 24 ILE MD 5.900 . 5.900 3.707 3.612 3.826 . 0 0 "[ . 1 . 2 ]" 1
77 1 24 ILE H 1 24 ILE MG 5.000 . 5.000 3.170 2.995 3.356 . 0 0 "[ . 1 . 2 ]" 1
78 1 24 ILE HA 1 25 SER H 2.800 . 2.800 2.497 2.387 2.540 . 0 0 "[ . 1 . 2 ]" 1
79 1 24 ILE HB 1 25 SER H 2.600 . 2.600 2.292 2.218 2.491 . 0 0 "[ . 1 . 2 ]" 1
80 1 24 ILE MD 1 25 SER H 5.900 . 5.900 4.248 4.126 4.426 . 0 0 "[ . 1 . 2 ]" 1
81 1 24 ILE QG 1 25 SER H 4.700 . 4.700 3.812 3.680 3.994 . 0 0 "[ . 1 . 2 ]" 1
82 1 24 ILE MG 1 25 SER H 4.000 . 4.000 3.354 3.304 3.448 . 0 0 "[ . 1 . 2 ]" 1
83 1 25 SER H 1 26 LEU H 4.500 . 4.500 4.582 4.556 4.606 0.106 23 0 "[ . 1 . 2 ]" 1
84 1 25 SER HA 1 26 LEU H 2.550 . 2.550 2.294 2.230 2.379 . 0 0 "[ . 1 . 2 ]" 1
85 1 25 SER HB3 1 26 LEU H 3.750 . 3.750 3.006 2.564 4.307 0.557 4 2 "[ +. - 1 . 2 ]" 1
86 1 25 SER HA 1 27 PHE H 4.000 . 4.000 4.038 3.968 4.094 0.094 18 0 "[ . 1 . 2 ]" 1
87 1 25 SER HB3 1 27 PHE H 4.200 . 4.200 2.834 2.500 4.412 0.212 8 0 "[ . 1 . 2 ]" 1
88 1 26 LEU H 1 27 PHE H 3.000 . 3.000 2.634 2.535 2.756 . 0 0 "[ . 1 . 2 ]" 1
89 1 26 LEU HB3 1 27 PHE H 3.400 . 3.400 2.820 2.655 2.944 . 0 0 "[ . 1 . 2 ]" 1
90 1 26 LEU MD2 1 27 PHE H 6.000 . 6.000 4.537 4.382 4.655 . 0 0 "[ . 1 . 2 ]" 1
91 1 25 SER HB2 1 28 SER H 3.350 . 3.350 2.478 2.298 3.612 0.262 8 0 "[ . 1 . 2 ]" 1
92 1 25 SER HB3 1 28 SER H 3.500 . 3.500 3.123 2.826 3.476 . 0 0 "[ . 1 . 2 ]" 1
93 1 26 LEU H 1 28 SER H 4.300 . 4.300 4.148 4.049 4.281 . 0 0 "[ . 1 . 2 ]" 1
94 1 27 PHE HB3 1 28 SER H 3.600 . 3.600 3.627 3.587 3.674 0.074 14 0 "[ . 1 . 2 ]" 1
95 1 27 PHE HB2 1 28 SER H 3.350 . 3.350 2.734 2.641 2.823 . 0 0 "[ . 1 . 2 ]" 1
96 1 26 LEU HA 1 29 CYS H 3.200 . 3.200 3.154 3.022 3.220 0.020 17 0 "[ . 1 . 2 ]" 1
97 1 27 PHE HA 1 29 CYS H 4.500 . 4.500 4.008 3.793 4.231 . 0 0 "[ . 1 . 2 ]" 1
98 1 28 SER HA 1 29 CYS H 3.600 . 3.600 3.537 3.500 3.559 . 0 0 "[ . 1 . 2 ]" 1
99 1 29 CYS H 1 29 CYS HB3 3.600 . 3.600 3.623 3.597 3.653 0.053 10 0 "[ . 1 . 2 ]" 1
100 1 29 CYS H 1 29 CYS HB2 2.900 . 2.900 2.390 2.371 2.437 . 0 0 "[ . 1 . 2 ]" 1
101 1 29 CYS H 1 30 LEU MD2 6.500 . 6.500 4.648 4.367 4.913 . 0 0 "[ . 1 . 2 ]" 1
102 1 27 PHE HA 1 30 LEU H 4.200 . 4.200 4.206 3.607 4.251 0.051 23 0 "[ . 1 . 2 ]" 1
103 1 28 SER HA 1 30 LEU H 4.500 . 4.500 4.065 3.902 4.247 . 0 0 "[ . 1 . 2 ]" 1
104 1 29 CYS HA 1 30 LEU H 2.700 . 2.700 2.736 2.702 2.784 0.084 5 0 "[ . 1 . 2 ]" 1
105 1 29 CYS HB2 1 30 LEU H 4.800 . 4.800 4.414 4.359 4.487 . 0 0 "[ . 1 . 2 ]" 1
106 1 29 CYS HB3 1 30 LEU H 4.500 . 4.500 4.416 4.389 4.438 . 0 0 "[ . 1 . 2 ]" 1
107 1 30 LEU H 1 31 LYS H 2.900 . 2.900 2.556 2.352 2.681 . 0 0 "[ . 1 . 2 ]" 1
108 1 29 CYS HA 1 31 LYS H 3.500 . 3.500 2.982 2.912 3.271 . 0 0 "[ . 1 . 2 ]" 1
109 1 30 LEU HA 1 31 LYS H 3.200 . 3.200 3.279 3.203 3.323 0.123 19 0 "[ . 1 . 2 ]" 1
110 1 30 LEU HB3 1 31 LYS H 4.000 . 4.000 4.205 3.962 4.352 0.352 24 0 "[ . 1 . 2 ]" 1
111 1 31 LYS H 1 32 ASP HA 5.000 . 5.000 5.004 4.832 5.121 0.121 11 0 "[ . 1 . 2 ]" 1
112 1 30 LEU MD1 1 31 LYS H 6.200 . 6.200 4.896 4.153 5.232 . 0 0 "[ . 1 . 2 ]" 1
113 1 30 LEU HA 1 32 ASP H 3.900 . 3.900 3.880 3.545 3.982 0.082 16 0 "[ . 1 . 2 ]" 1
114 1 31 LYS H 1 32 ASP H 2.750 . 2.750 2.295 2.088 2.464 . 0 0 "[ . 1 . 2 ]" 1
115 1 31 LYS HA 1 32 ASP H 3.400 . 3.400 3.511 3.443 3.541 0.141 24 0 "[ . 1 . 2 ]" 1
116 1 31 LYS QB 1 32 ASP H 4.000 . 4.000 2.943 2.667 3.657 . 0 0 "[ . 1 . 2 ]" 1
117 1 31 LYS QG 1 32 ASP H 4.750 . 4.750 3.773 2.273 4.265 . 0 0 "[ . 1 . 2 ]" 1
118 1 32 ASP H 1 33 ARG H 2.600 . 2.600 2.583 2.400 2.637 0.037 11 0 "[ . 1 . 2 ]" 1
119 1 32 ASP H 1 138 CYS HB2 5.000 . 5.000 5.042 4.870 5.163 0.163 18 0 "[ . 1 . 2 ]" 1
120 1 32 ASP H 1 142 VAL MG2 5.500 . 5.500 3.765 3.248 4.258 . 0 0 "[ . 1 . 2 ]" 1
121 1 31 LYS HA 1 33 ARG H 4.000 . 4.000 3.901 3.728 4.050 0.050 24 0 "[ . 1 . 2 ]" 1
122 1 32 ASP HA 1 33 ARG H 3.200 . 3.200 3.100 2.994 3.229 0.029 3 0 "[ . 1 . 2 ]" 1
123 1 33 ARG H 1 142 VAL MG2 5.650 . 5.650 3.607 3.232 3.973 . 0 0 "[ . 1 . 2 ]" 1
124 1 33 ARG HA 1 34 HIS H 2.400 . 2.400 2.197 2.175 2.303 . 0 0 "[ . 1 . 2 ]" 1
125 1 33 ARG QB 1 34 HIS H 4.200 . 4.200 3.760 2.745 3.952 . 0 0 "[ . 1 . 2 ]" 1
126 1 34 HIS H 1 34 HIS HD2 4.500 . 4.500 4.091 3.379 4.610 0.110 13 0 "[ . 1 . 2 ]" 1
127 1 34 HIS H 1 142 VAL MG1 4.900 . 4.900 2.063 1.807 2.664 0.193 9 0 "[ . 1 . 2 ]" 1
128 1 34 HIS H 1 142 VAL MG2 6.000 . 6.000 3.031 2.560 3.626 . 0 0 "[ . 1 . 2 ]" 1
129 1 34 HIS HA 1 35 ASP H 2.400 . 2.400 2.254 2.203 2.452 0.052 24 0 "[ . 1 . 2 ]" 1
130 1 35 ASP H 1 35 ASP HB3 2.800 . 2.800 2.621 2.540 2.806 0.006 21 0 "[ . 1 . 2 ]" 1
131 1 35 ASP H 1 35 ASP HB2 2.800 . 2.800 2.587 2.396 2.830 0.030 13 0 "[ . 1 . 2 ]" 1
132 1 35 ASP HA 1 36 PHE H 2.800 . 2.800 2.219 2.195 2.290 . 0 0 "[ . 1 . 2 ]" 1
133 1 35 ASP HB2 1 36 PHE H 5.000 . 5.000 4.367 4.161 4.533 . 0 0 "[ . 1 . 2 ]" 1
134 1 35 ASP HA 1 37 GLY H 4.200 . 4.200 4.118 3.792 4.230 0.030 2 0 "[ . 1 . 2 ]" 1
135 1 36 PHE H 1 37 GLY H 3.000 . 3.000 2.559 2.301 2.755 . 0 0 "[ . 1 . 2 ]" 1
136 1 37 GLY H 1 38 PHE H 3.500 . 3.500 2.526 2.187 2.805 . 0 0 "[ . 1 . 2 ]" 1
137 1 37 GLY HA2 1 38 PHE H 3.600 . 3.600 2.557 2.427 2.819 . 0 0 "[ . 1 . 2 ]" 1
138 1 38 PHE H 1 38 PHE HB3 2.900 . 2.900 2.438 2.334 2.506 . 0 0 "[ . 1 . 2 ]" 1
139 1 38 PHE H 1 38 PHE HB2 3.050 . 3.050 2.684 2.602 2.796 . 0 0 "[ . 1 . 2 ]" 1
140 1 38 PHE H 1 122 TYR QD 6.000 . 6.000 3.829 3.398 4.485 . 0 0 "[ . 1 . 2 ]" 1
141 1 39 PRO HA 1 40 GLN H 2.600 . 2.600 2.570 2.469 2.653 0.053 9 0 "[ . 1 . 2 ]" 1
142 1 40 GLN H 1 40 GLN HB2 2.900 . 2.900 2.694 2.535 2.923 0.023 21 0 "[ . 1 . 2 ]" 1
143 1 40 GLN H 1 40 GLN HB3 2.800 . 2.800 2.495 2.251 2.645 . 0 0 "[ . 1 . 2 ]" 1
144 1 40 GLN H 1 41 GLU H 3.300 . 3.300 2.478 2.315 2.573 . 0 0 "[ . 1 . 2 ]" 1
145 1 40 GLN HA 1 41 GLU H 3.450 . 3.450 3.473 3.387 3.508 0.058 9 0 "[ . 1 . 2 ]" 1
146 1 40 GLN HA 1 42 GLU H 4.000 . 4.000 3.691 3.551 3.789 . 0 0 "[ . 1 . 2 ]" 1
147 1 41 GLU H 1 42 GLU H 3.000 . 3.000 2.673 2.575 2.779 . 0 0 "[ . 1 . 2 ]" 1
148 1 41 GLU HA 1 42 GLU H 3.600 . 3.600 3.544 3.516 3.566 . 0 0 "[ . 1 . 2 ]" 1
149 1 42 GLU H 1 42 GLU HB2 3.000 . 3.000 2.478 2.060 2.721 . 0 0 "[ . 1 . 2 ]" 1
150 1 42 GLU H 1 42 GLU HB3 2.800 . 2.800 2.880 2.648 3.342 0.542 4 1 "[ +. 1 . 2 ]" 1
151 1 42 GLU H 1 43 PHE QD 6.000 . 6.000 3.463 3.032 3.801 . 0 0 "[ . 1 . 2 ]" 1
152 1 41 GLU HA 1 43 PHE H 4.000 . 4.000 3.599 3.443 3.804 . 0 0 "[ . 1 . 2 ]" 1
153 1 42 GLU HA 1 43 PHE H 3.400 . 3.400 3.005 2.785 3.267 . 0 0 "[ . 1 . 2 ]" 1
154 1 42 GLU HB2 1 43 PHE H 4.500 . 4.500 4.452 3.820 4.646 0.146 19 0 "[ . 1 . 2 ]" 1
155 1 43 PHE H 1 44 GLY H 3.100 . 3.100 2.361 1.863 2.987 0.137 2 0 "[ . 1 . 2 ]" 1
156 1 43 PHE HA 1 44 GLY H 3.200 . 3.200 3.092 2.703 3.538 0.338 12 0 "[ . 1 . 2 ]" 1
157 1 43 PHE HB3 1 44 GLY H 4.800 . 4.800 4.079 2.468 4.414 . 0 0 "[ . 1 . 2 ]" 1
158 1 43 PHE HB2 1 44 GLY H 4.400 . 4.400 3.919 2.132 4.481 0.081 20 0 "[ . 1 . 2 ]" 1
159 1 44 GLY H 1 45 ASN H 3.100 . 3.100 2.828 1.942 3.153 0.058 19 0 "[ . 1 . 2 ]" 1
160 1 44 GLY H 1 157 LEU QD 7.000 . 7.000 3.595 2.985 4.205 . 0 0 "[ . 1 . 2 ]" 1
161 1 44 GLY HA3 1 45 ASN H 3.400 . 3.400 2.542 2.252 3.539 0.139 11 0 "[ . 1 . 2 ]" 1
162 1 44 GLY HA2 1 45 ASN H 3.400 . 3.400 3.477 2.936 3.577 0.177 2 0 "[ . 1 . 2 ]" 1
163 1 45 ASN H 1 45 ASN QB 3.800 . 3.800 2.519 2.264 3.352 . 0 0 "[ . 1 . 2 ]" 1
164 1 45 ASN H 1 47 PHE QR 6.500 . 6.500 3.500 1.889 4.135 0.111 11 0 "[ . 1 . 2 ]" 1
165 1 45 ASN HA 1 46 GLN H 2.650 . 2.650 2.281 2.195 2.463 . 0 0 "[ . 1 . 2 ]" 1
166 1 45 ASN QB 1 46 GLN H 4.400 . 4.400 3.123 2.429 3.768 . 0 0 "[ . 1 . 2 ]" 1
167 1 46 GLN H 1 47 PHE H 2.800 . 2.800 2.613 2.515 2.860 0.060 4 0 "[ . 1 . 2 ]" 1
168 1 45 ASN HA 1 47 PHE H 3.600 . 3.600 3.362 3.044 3.647 0.047 11 0 "[ . 1 . 2 ]" 1
169 1 46 GLN HA 1 47 PHE H 3.100 . 3.100 3.076 2.916 3.173 0.073 21 0 "[ . 1 . 2 ]" 1
170 1 46 GLN QB 1 47 PHE H 4.500 . 4.500 3.765 3.642 4.090 . 0 0 "[ . 1 . 2 ]" 1
171 1 47 PHE HA 1 48 GLN H 2.900 . 2.900 2.681 2.219 2.952 0.052 14 0 "[ . 1 . 2 ]" 1
172 1 48 GLN HA 1 49 LYS H 2.900 . 2.900 2.627 2.196 2.986 0.086 21 0 "[ . 1 . 2 ]" 1
173 1 49 LYS H 1 50 ALA H 4.000 . 4.000 2.986 2.630 4.064 0.064 21 0 "[ . 1 . 2 ]" 1
174 1 49 LYS HA 1 50 ALA H 3.200 . 3.200 2.762 2.212 3.549 0.349 3 0 "[ . 1 . 2 ]" 1
175 1 50 ALA H 1 53 ILE MD 5.500 . 5.500 3.736 2.708 4.456 . 0 0 "[ . 1 . 2 ]" 1
176 1 50 ALA H 1 51 GLU H 3.400 . 3.400 2.773 1.991 3.413 0.013 21 0 "[ . 1 . 2 ]" 1
177 1 50 ALA HA 1 51 GLU H 3.200 . 3.200 2.834 2.404 3.286 0.086 24 0 "[ . 1 . 2 ]" 1
178 1 50 ALA MB 1 51 GLU H 4.600 . 4.600 3.666 3.362 3.758 . 0 0 "[ . 1 . 2 ]" 1
179 1 51 GLU H 1 52 THR H 3.200 . 3.200 2.063 1.956 2.217 0.044 3 0 "[ . 1 . 2 ]" 1
180 1 51 GLU QB 1 52 THR H 4.000 . 4.000 2.584 2.209 3.226 . 0 0 "[ . 1 . 2 ]" 1
181 1 51 GLU QG 1 52 THR H 4.500 . 4.500 4.007 2.854 4.172 . 0 0 "[ . 1 . 2 ]" 1
182 1 51 GLU HA 1 52 THR H 3.400 . 3.400 3.548 3.472 3.579 0.179 11 0 "[ . 1 . 2 ]" 1
183 1 52 THR H 1 52 THR MG 4.700 . 4.700 2.636 2.042 3.787 . 0 0 "[ . 1 . 2 ]" 1
184 1 52 THR H 1 53 ILE H 3.150 . 3.150 2.557 2.397 2.967 . 0 0 "[ . 1 . 2 ]" 1
185 1 53 ILE H 1 54 PRO QD 5.000 . 5.000 2.132 1.890 2.368 0.110 9 0 "[ . 1 . 2 ]" 1
186 1 52 THR HA 1 55 VAL H 4.500 . 4.500 3.050 2.892 3.184 . 0 0 "[ . 1 . 2 ]" 1
187 1 54 PRO HA 1 55 VAL H 3.500 . 3.500 3.562 3.538 3.587 0.087 5 0 "[ . 1 . 2 ]" 1
188 1 54 PRO HB2 1 55 VAL H 3.500 . 3.500 3.367 3.191 3.519 0.019 9 0 "[ . 1 . 2 ]" 1
189 1 55 VAL H 1 55 VAL MG1 4.900 . 4.900 3.781 3.745 3.796 . 0 0 "[ . 1 . 2 ]" 1
190 1 55 VAL H 1 55 VAL MG2 3.600 . 3.600 2.006 1.908 2.264 0.092 21 0 "[ . 1 . 2 ]" 1
191 1 55 VAL H 1 56 LEU H 3.100 . 3.100 2.513 2.406 2.614 . 0 0 "[ . 1 . 2 ]" 1
192 1 53 ILE HA 1 56 LEU H 3.500 . 3.500 3.340 3.165 3.505 0.005 7 0 "[ . 1 . 2 ]" 1
193 1 55 VAL HB 1 56 LEU H 3.250 . 3.250 2.648 2.447 2.897 . 0 0 "[ . 1 . 2 ]" 1
194 1 55 VAL MG1 1 56 LEU H 5.700 . 5.700 3.724 3.395 4.029 . 0 0 "[ . 1 . 2 ]" 1
195 1 55 VAL MG2 1 56 LEU H 5.000 . 5.000 3.674 3.530 3.839 . 0 0 "[ . 1 . 2 ]" 1
196 1 56 LEU H 1 56 LEU MD2 5.000 . 5.000 2.994 2.814 3.234 . 0 0 "[ . 1 . 2 ]" 1
197 1 54 PRO HA 1 57 HIS H 3.400 . 3.400 3.351 3.104 3.428 0.028 22 0 "[ . 1 . 2 ]" 1
198 1 56 LEU H 1 57 HIS H 3.100 . 3.100 2.579 2.471 2.664 . 0 0 "[ . 1 . 2 ]" 1
199 1 56 LEU HA 1 57 HIS H 3.600 . 3.600 3.553 3.522 3.576 . 0 0 "[ . 1 . 2 ]" 1
200 1 56 LEU HB2 1 57 HIS H 3.300 . 3.300 2.797 2.634 2.989 . 0 0 "[ . 1 . 2 ]" 1
201 1 57 HIS H 1 57 HIS HB3 3.100 . 3.100 2.630 2.540 2.726 . 0 0 "[ . 1 . 2 ]" 1
202 1 57 HIS H 1 57 HIS HB2 3.050 . 3.050 2.467 2.385 2.564 . 0 0 "[ . 1 . 2 ]" 1
203 1 57 HIS H 1 95 LEU MD1 4.300 . 4.300 3.012 2.769 3.247 . 0 0 "[ . 1 . 2 ]" 1
204 1 55 VAL HA 1 58 GLU H 3.450 . 3.450 3.478 3.352 3.534 0.084 2 0 "[ . 1 . 2 ]" 1
205 1 57 HIS H 1 58 GLU H 3.250 . 3.250 2.740 2.556 2.886 . 0 0 "[ . 1 . 2 ]" 1
206 1 57 HIS HB3 1 58 GLU H 3.550 . 3.550 2.452 2.333 2.626 . 0 0 "[ . 1 . 2 ]" 1
207 1 56 LEU HA 1 59 MET H 3.500 . 3.500 3.327 3.107 3.492 . 0 0 "[ . 1 . 2 ]" 1
208 1 58 GLU H 1 59 MET H 3.220 . 3.220 2.560 2.478 2.679 . 0 0 "[ . 1 . 2 ]" 1
209 1 59 MET H 1 59 MET HB2 3.000 . 3.000 2.678 2.547 2.932 . 0 0 "[ . 1 . 2 ]" 1
210 1 59 MET H 1 59 MET HB3 3.000 . 3.000 2.472 2.229 2.601 . 0 0 "[ . 1 . 2 ]" 1
211 1 59 MET H 1 60 ILE H 3.250 . 3.250 2.612 2.533 2.731 . 0 0 "[ . 1 . 2 ]" 1
212 1 57 HIS HA 1 60 ILE H 3.700 . 3.700 3.599 3.406 3.757 0.057 10 0 "[ . 1 . 2 ]" 1
213 1 59 MET HA 1 60 ILE H 3.600 . 3.600 3.587 3.559 3.609 0.009 10 0 "[ . 1 . 2 ]" 1
214 1 59 MET HB3 1 60 ILE H 3.500 . 3.500 2.611 2.423 2.787 . 0 0 "[ . 1 . 2 ]" 1
215 1 60 ILE H 1 60 ILE HG13 3.350 . 3.350 2.880 2.285 3.799 0.449 2 0 "[ . 1 . 2 ]" 1
216 1 60 ILE H 1 61 GLN H 3.250 . 3.250 2.545 2.466 2.706 . 0 0 "[ . 1 . 2 ]" 1
217 1 60 ILE H 1 92 LEU MD2 5.250 . 5.250 3.757 3.394 4.100 . 0 0 "[ . 1 . 2 ]" 1
218 1 61 GLN H 1 62 GLN H 3.100 . 3.100 2.504 2.387 2.743 . 0 0 "[ . 1 . 2 ]" 1
219 1 61 GLN H 1 92 LEU MD1 5.500 . 5.500 3.793 3.378 4.177 . 0 0 "[ . 1 . 2 ]" 1
220 1 61 GLN HA 1 61 GLN HE21 3.600 . 3.600 2.795 2.131 3.638 0.038 9 0 "[ . 1 . 2 ]" 1
221 1 61 GLN HA 1 61 GLN HE22 4.200 . 4.200 3.450 3.120 4.107 . 0 0 "[ . 1 . 2 ]" 1
222 1 61 GLN HE21 1 92 LEU QD 8.000 . 8.000 3.254 1.795 4.549 0.205 16 0 "[ . 1 . 2 ]" 1
223 1 61 GLN HE22 1 92 LEU QD 6.500 . 6.500 3.384 2.077 4.737 . 0 0 "[ . 1 . 2 ]" 1
224 1 59 MET HA 1 62 GLN H 3.400 . 3.400 3.324 3.212 3.438 0.038 8 0 "[ . 1 . 2 ]" 1
225 1 61 GLN QB 1 62 GLN H 3.000 . 3.000 2.684 2.375 2.797 . 0 0 "[ . 1 . 2 ]" 1
226 1 61 GLN QG 1 62 GLN H 5.500 . 5.500 4.125 3.774 4.601 . 0 0 "[ . 1 . 2 ]" 1
227 1 62 GLN H 1 62 GLN HB2 3.100 . 3.100 2.307 2.193 2.391 . 0 0 "[ . 1 . 2 ]" 1
228 1 62 GLN H 1 62 GLN HB3 3.400 . 3.400 3.544 3.495 3.564 0.164 13 0 "[ . 1 . 2 ]" 1
229 1 62 GLN H 1 62 GLN HG2 4.200 . 4.200 2.896 2.302 4.024 . 0 0 "[ . 1 . 2 ]" 1
230 1 62 GLN H 1 62 GLN HG3 3.300 . 3.300 3.367 2.333 3.884 0.584 5 2 "[ - + 1 . 2 ]" 1
231 1 62 GLN H 1 63 ILE H 3.000 . 3.000 2.587 2.485 2.752 . 0 0 "[ . 1 . 2 ]" 1
232 1 62 GLN HB2 1 63 ILE H 3.000 . 3.000 2.761 2.604 2.934 . 0 0 "[ . 1 . 2 ]" 1
233 1 63 ILE H 1 63 ILE MD 4.900 . 4.900 3.642 3.551 3.692 . 0 0 "[ . 1 . 2 ]" 1
234 1 63 ILE H 1 63 ILE MG 4.700 . 4.700 3.775 3.765 3.783 . 0 0 "[ . 1 . 2 ]" 1
235 1 63 ILE HB 1 64 PHE H 3.300 . 3.300 2.871 2.749 3.021 . 0 0 "[ . 1 . 2 ]" 1
236 1 63 ILE MG 1 64 PHE H 5.290 . 5.290 3.627 3.510 3.743 . 0 0 "[ . 1 . 2 ]" 1
237 1 63 ILE H 1 64 PHE H 3.360 . 3.360 2.460 2.397 2.505 . 0 0 "[ . 1 . 2 ]" 1
238 1 64 PHE H 1 88 LEU MD1 6.000 . 6.000 3.525 3.154 3.710 . 0 0 "[ . 1 . 2 ]" 1
239 1 64 PHE H 1 88 LEU MD2 6.500 . 6.500 3.497 3.093 3.735 . 0 0 "[ . 1 . 2 ]" 1
240 1 62 GLN HA 1 65 ASN H 3.500 . 3.500 3.553 3.519 3.604 0.104 4 0 "[ . 1 . 2 ]" 1
241 1 64 PHE HA 1 65 ASN H 3.500 . 3.500 3.589 3.580 3.595 0.095 5 0 "[ . 1 . 2 ]" 1
242 1 64 PHE HB3 1 65 ASN H 3.000 . 3.000 2.503 2.350 2.584 . 0 0 "[ . 1 . 2 ]" 1
243 1 64 PHE H 1 65 ASN H 3.050 . 3.050 2.733 2.622 2.854 . 0 0 "[ . 1 . 2 ]" 1
244 1 65 ASN H 1 66 LEU H 3.000 . 3.000 2.499 2.424 2.532 . 0 0 "[ . 1 . 2 ]" 1
245 1 63 ILE HA 1 66 LEU H 3.300 . 3.300 3.315 3.263 3.356 0.056 5 0 "[ . 1 . 2 ]" 1
246 1 65 ASN QB 1 66 LEU H 3.000 . 3.000 2.689 2.569 2.801 . 0 0 "[ . 1 . 2 ]" 1
247 1 66 LEU H 1 66 LEU HB2 2.800 . 2.800 2.624 2.560 2.689 . 0 0 "[ . 1 . 2 ]" 1
248 1 66 LEU H 1 66 LEU HB3 2.800 . 2.800 2.475 2.422 2.520 . 0 0 "[ . 1 . 2 ]" 1
249 1 66 LEU H 1 66 LEU HG 4.500 . 4.500 4.406 4.364 4.432 . 0 0 "[ . 1 . 2 ]" 1
250 1 64 PHE HA 1 67 PHE H 4.500 . 4.500 3.810 3.630 3.887 . 0 0 "[ . 1 . 2 ]" 1
251 1 65 ASN HA 1 67 PHE H 4.000 . 4.000 4.017 3.950 4.041 0.041 17 0 "[ . 1 . 2 ]" 1
252 1 66 LEU HA 1 67 PHE H 3.500 . 3.500 3.540 3.532 3.548 0.048 17 0 "[ . 1 . 2 ]" 1
253 1 67 PHE H 1 68 SER H 2.900 . 2.900 2.224 2.163 2.257 . 0 0 "[ . 1 . 2 ]" 1
254 1 68 SER H 1 68 SER HB2 3.100 . 3.100 2.552 2.484 2.669 . 0 0 "[ . 1 . 2 ]" 1
255 1 68 SER H 1 68 SER HB3 3.250 . 3.250 2.625 2.575 2.682 . 0 0 "[ . 1 . 2 ]" 1
256 1 68 SER H 1 69 THR MG 5.500 . 5.500 4.120 3.977 4.293 . 0 0 "[ . 1 . 2 ]" 1
257 1 68 SER H 1 69 THR H 2.800 . 2.800 2.508 2.298 2.663 . 0 0 "[ . 1 . 2 ]" 1
258 1 67 PHE HA 1 69 THR H 4.700 . 4.700 3.893 3.767 4.003 . 0 0 "[ . 1 . 2 ]" 1
259 1 68 SER HA 1 69 THR H 3.600 . 3.600 3.493 3.453 3.533 . 0 0 "[ . 1 . 2 ]" 1
260 1 69 THR H 1 69 THR MG 4.500 . 4.500 2.453 2.333 2.596 . 0 0 "[ . 1 . 2 ]" 1
261 1 69 THR H 1 72 SER QB 4.500 . 4.500 3.403 3.074 3.977 . 0 0 "[ . 1 . 2 ]" 1
262 1 69 THR HA 1 70 LYS H 2.500 . 2.500 2.309 2.288 2.343 . 0 0 "[ . 1 . 2 ]" 1
263 1 69 THR H 1 70 LYS H 4.700 . 4.700 4.686 4.676 4.697 . 0 0 "[ . 1 . 2 ]" 1
264 1 69 THR HB 1 70 LYS H 2.900 . 2.900 2.841 2.716 2.917 0.017 2 0 "[ . 1 . 2 ]" 1
265 1 70 LYS H 1 73 SER H 4.700 . 4.700 4.657 4.588 4.728 0.028 24 0 "[ . 1 . 2 ]" 1
266 1 70 LYS H 1 71 ASP H 2.800 . 2.800 2.658 2.619 2.696 . 0 0 "[ . 1 . 2 ]" 1
267 1 69 THR HA 1 71 ASP H 3.900 . 3.900 3.945 3.868 3.989 0.089 18 0 "[ . 1 . 2 ]" 1
268 1 69 THR HB 1 71 ASP H 2.500 . 2.500 2.423 2.359 2.503 0.003 8 0 "[ . 1 . 2 ]" 1
269 1 69 THR MG 1 71 ASP H 5.000 . 5.000 4.090 4.029 4.163 . 0 0 "[ . 1 . 2 ]" 1
270 1 70 LYS HA 1 71 ASP H 3.450 . 3.450 3.503 3.484 3.517 0.067 18 0 "[ . 1 . 2 ]" 1
271 1 71 ASP H 1 72 SER H 2.950 . 2.950 2.538 2.481 2.632 . 0 0 "[ . 1 . 2 ]" 1
272 1 71 ASP QB 1 72 SER H 4.300 . 4.300 2.862 2.477 3.729 . 0 0 "[ . 1 . 2 ]" 1
273 1 70 LYS HA 1 73 SER H 3.500 . 3.500 3.296 3.043 3.483 . 0 0 "[ . 1 . 2 ]" 1
274 1 71 ASP H 1 73 SER H 4.500 . 4.500 3.806 3.657 4.034 . 0 0 "[ . 1 . 2 ]" 1
275 1 72 SER HA 1 73 SER H 3.400 . 3.400 3.526 3.511 3.537 0.137 24 0 "[ . 1 . 2 ]" 1
276 1 73 SER H 1 74 ALA H 2.800 . 2.800 2.594 2.549 2.631 . 0 0 "[ . 1 . 2 ]" 1
277 1 71 ASP HA 1 74 ALA H 5.000 . 5.000 3.727 3.510 4.008 . 0 0 "[ . 1 . 2 ]" 1
278 1 73 SER HA 1 74 ALA H 3.400 . 3.400 3.529 3.515 3.538 0.138 4 0 "[ . 1 . 2 ]" 1
279 1 72 SER HA 1 74 ALA H 4.200 . 4.200 4.136 3.995 4.220 0.020 6 0 "[ . 1 . 2 ]" 1
280 1 73 SER QB 1 74 ALA H 4.000 . 4.000 2.848 2.659 3.502 . 0 0 "[ . 1 . 2 ]" 1
281 1 74 ALA H 1 75 ALA MB 5.000 . 5.000 4.036 3.943 4.068 . 0 0 "[ . 1 . 2 ]" 1
282 1 72 SER HA 1 75 ALA H 4.000 . 4.000 2.980 2.885 3.086 . 0 0 "[ . 1 . 2 ]" 1
283 1 73 SER H 1 75 ALA H 4.200 . 4.200 3.762 3.660 3.897 . 0 0 "[ . 1 . 2 ]" 1
284 1 73 SER HA 1 75 ALA H 4.500 . 4.500 4.193 3.967 4.333 . 0 0 "[ . 1 . 2 ]" 1
285 1 73 SER QB 1 75 ALA H 5.300 . 5.300 4.626 4.520 4.866 . 0 0 "[ . 1 . 2 ]" 1
286 1 74 ALA HA 1 75 ALA H 3.500 . 3.500 3.510 3.465 3.537 0.037 18 0 "[ . 1 . 2 ]" 1
287 1 74 ALA MB 1 75 ALA H 4.200 . 4.200 2.905 2.758 3.014 . 0 0 "[ . 1 . 2 ]" 1
288 1 75 ALA H 1 75 ALA MB 3.500 . 3.500 2.226 2.050 2.278 . 0 0 "[ . 1 . 2 ]" 1
289 1 73 SER HA 1 76 TRP H 3.650 . 3.650 3.653 3.492 3.693 0.043 1 0 "[ . 1 . 2 ]" 1
290 1 75 ALA HA 1 76 TRP H 3.400 . 3.400 3.538 3.520 3.556 0.156 21 0 "[ . 1 . 2 ]" 1
291 1 74 ALA MB 1 76 TRP H 6.000 . 6.000 4.621 4.558 4.729 . 0 0 "[ . 1 . 2 ]" 1
292 1 75 ALA MB 1 76 TRP H 4.200 . 4.200 2.678 2.445 2.830 . 0 0 "[ . 1 . 2 ]" 1
293 1 76 TRP H 1 76 TRP HD1 3.200 . 3.200 3.155 2.943 3.232 0.032 7 0 "[ . 1 . 2 ]" 1
294 1 76 TRP H 1 81 LEU MD1 5.200 . 5.200 2.888 2.750 3.068 . 0 0 "[ . 1 . 2 ]" 1
295 1 76 TRP H 1 81 LEU MD2 6.000 . 6.000 4.945 4.917 4.995 . 0 0 "[ . 1 . 2 ]" 1
296 1 67 PHE QD 1 76 TRP HE1 7.500 . 7.500 4.293 3.745 5.302 . 0 0 "[ . 1 . 2 ]" 1
297 1 75 ALA MB 1 76 TRP HE1 5.450 . 5.450 3.166 2.920 3.378 . 0 0 "[ . 1 . 2 ]" 1
298 1 76 TRP HE1 1 140 TRP HH2 4.600 . 4.600 4.601 4.345 4.665 0.065 22 0 "[ . 1 . 2 ]" 1
299 1 76 TRP HE1 1 140 TRP HE3 3.400 . 3.400 2.553 2.480 2.678 . 0 0 "[ . 1 . 2 ]" 1
300 1 76 TRP HE1 1 140 TRP HZ3 3.400 . 3.400 3.235 3.089 3.413 0.013 22 0 "[ . 1 . 2 ]" 1
301 1 76 TRP H 1 77 ASP H 4.500 . 4.500 4.514 4.485 4.531 0.031 21 0 "[ . 1 . 2 ]" 1
302 1 76 TRP HA 1 77 ASP H 2.750 . 2.750 2.539 2.444 2.613 . 0 0 "[ . 1 . 2 ]" 1
303 1 76 TRP HB3 1 77 ASP H 3.200 . 3.200 2.370 2.255 2.575 . 0 0 "[ . 1 . 2 ]" 1
304 1 76 TRP HE3 1 77 ASP H 3.700 . 3.700 3.665 3.521 3.733 0.033 18 0 "[ . 1 . 2 ]" 1
305 1 77 ASP H 1 78 GLU H 4.600 . 4.600 4.610 4.595 4.633 0.033 18 0 "[ . 1 . 2 ]" 1
306 1 77 ASP H 1 80 LEU MD1 4.700 . 4.700 3.260 3.030 3.562 . 0 0 "[ . 1 . 2 ]" 1
307 1 77 ASP HA 1 78 GLU H 2.400 . 2.400 2.236 2.218 2.257 . 0 0 "[ . 1 . 2 ]" 1
308 1 77 ASP HB2 1 78 GLU H 4.500 . 4.500 4.244 4.159 4.384 . 0 0 "[ . 1 . 2 ]" 1
309 1 77 ASP HB3 1 78 GLU H 3.300 . 3.300 3.252 3.166 3.316 0.016 1 0 "[ . 1 . 2 ]" 1
310 1 78 GLU H 1 78 GLU HB2 3.500 . 3.500 3.596 3.557 3.601 0.101 18 0 "[ . 1 . 2 ]" 1
311 1 78 GLU H 1 78 GLU HB3 2.800 . 2.800 2.551 2.388 2.748 . 0 0 "[ . 1 . 2 ]" 1
312 1 78 GLU H 1 78 GLU HG2 3.500 . 3.500 2.254 2.000 3.337 . 17 0 "[ . 1 . 2 ]" 1
313 1 78 GLU H 1 78 GLU HG3 3.500 . 3.500 3.157 2.140 3.755 0.255 1 0 "[ . 1 . 2 ]" 1
314 1 78 GLU H 1 80 LEU H 4.500 . 4.500 4.356 4.277 4.423 . 0 0 "[ . 1 . 2 ]" 1
315 1 78 GLU H 1 79 THR H 2.800 . 2.800 2.703 2.630 2.748 . 0 0 "[ . 1 . 2 ]" 1
316 1 79 THR H 1 79 THR HB 2.400 . 2.400 2.485 2.464 2.511 0.111 20 0 "[ . 1 . 2 ]" 1
317 1 79 THR H 1 79 THR MG 4.500 . 4.500 3.767 3.763 3.771 . 0 0 "[ . 1 . 2 ]" 1
318 1 79 THR HB 1 80 LEU H 2.900 . 2.900 2.554 2.504 2.609 . 0 0 "[ . 1 . 2 ]" 1
319 1 79 THR H 1 80 LEU H 2.750 . 2.750 2.502 2.474 2.538 . 0 0 "[ . 1 . 2 ]" 1
320 1 79 THR MG 1 80 LEU H 5.100 . 5.100 3.456 3.403 3.525 . 0 0 "[ . 1 . 2 ]" 1
321 1 80 LEU H 1 80 LEU MD1 4.700 . 4.700 3.620 3.541 3.715 . 0 0 "[ . 1 . 2 ]" 1
322 1 80 LEU H 1 80 LEU MD2 4.850 . 4.850 3.414 3.315 3.601 . 0 0 "[ . 1 . 2 ]" 1
323 1 80 LEU H 1 81 LEU H 3.000 . 3.000 2.609 2.584 2.629 . 0 0 "[ . 1 . 2 ]" 1
324 1 78 GLU HA 1 81 LEU H 3.400 . 3.400 3.442 3.427 3.459 0.059 8 0 "[ . 1 . 2 ]" 1
325 1 80 LEU HA 1 81 LEU H 3.600 . 3.600 3.568 3.555 3.575 . 0 0 "[ . 1 . 2 ]" 1
326 1 81 LEU H 1 81 LEU MD1 5.200 . 5.200 3.933 3.884 3.974 . 0 0 "[ . 1 . 2 ]" 1
327 1 81 LEU H 1 81 LEU MD2 4.800 . 4.800 3.806 3.698 3.882 . 0 0 "[ . 1 . 2 ]" 1
328 1 79 THR HA 1 82 ASP H 3.400 . 3.400 3.111 3.028 3.156 . 0 0 "[ . 1 . 2 ]" 1
329 1 81 LEU HA 1 82 ASP H 3.500 . 3.500 3.532 3.526 3.538 0.038 15 0 "[ . 1 . 2 ]" 1
330 1 81 LEU HB2 1 82 ASP H 3.250 . 3.250 2.971 2.912 3.013 . 0 0 "[ . 1 . 2 ]" 1
331 1 81 LEU HB3 1 82 ASP H 3.400 . 3.400 3.470 3.452 3.490 0.090 11 0 "[ . 1 . 2 ]" 1
332 1 81 LEU MD2 1 82 ASP H 5.520 . 5.520 4.590 4.573 4.608 . 0 0 "[ . 1 . 2 ]" 1
333 1 81 LEU H 1 82 ASP H 3.000 . 3.000 2.477 2.431 2.505 . 0 0 "[ . 1 . 2 ]" 1
334 1 80 LEU HA 1 83 LYS H 3.650 . 3.650 3.614 3.507 3.667 0.017 18 0 "[ . 1 . 2 ]" 1
335 1 82 ASP HA 1 83 LYS H 3.600 . 3.600 3.605 3.599 3.612 0.012 18 0 "[ . 1 . 2 ]" 1
336 1 82 ASP QB 1 83 LYS H 3.900 . 3.900 2.352 2.265 2.587 . 0 0 "[ . 1 . 2 ]" 1
337 1 82 ASP H 1 83 LYS H 3.000 . 3.000 2.856 2.814 2.896 . 0 0 "[ . 1 . 2 ]" 1
338 1 83 LYS H 1 84 PHE H 2.900 . 2.900 2.580 2.553 2.614 . 0 0 "[ . 1 . 2 ]" 1
339 1 81 LEU HA 1 84 PHE H 3.450 . 3.450 3.062 2.998 3.136 . 0 0 "[ . 1 . 2 ]" 1
340 1 83 LYS HB3 1 84 PHE H 3.700 . 3.700 3.511 2.640 3.751 0.051 17 0 "[ . 1 . 2 ]" 1
341 1 83 LYS HB2 1 84 PHE H 3.250 . 3.250 3.011 2.628 3.810 0.560 19 2 "[- . 1 . +2 ]" 1
342 1 84 PHE H 1 84 PHE HB2 3.200 . 3.200 2.389 2.204 2.463 . 0 0 "[ . 1 . 2 ]" 1
343 1 84 PHE H 1 84 PHE HB3 2.850 . 2.850 2.699 2.601 2.890 0.040 14 0 "[ . 1 . 2 ]" 1
344 1 82 ASP HA 1 85 TYR H 3.450 . 3.450 3.421 3.361 3.468 0.018 8 0 "[ . 1 . 2 ]" 1
345 1 84 PHE H 1 85 TYR H 3.050 . 3.050 2.663 2.609 2.719 . 0 0 "[ . 1 . 2 ]" 1
346 1 84 PHE HB3 1 85 TYR H 3.050 . 3.050 2.889 2.641 3.017 . 0 0 "[ . 1 . 2 ]" 1
347 1 84 PHE QD 1 85 TYR H 5.400 . 5.400 4.324 4.085 4.474 . 0 0 "[ . 1 . 2 ]" 1
348 1 85 TYR H 1 85 TYR QE 6.500 . 6.500 4.530 4.325 4.636 . 0 0 "[ . 1 . 2 ]" 1
349 1 85 TYR H 1 85 TYR QD 4.950 . 4.950 3.202 3.077 3.278 . 0 0 "[ . 1 . 2 ]" 1
350 1 85 TYR H 1 86 THR H 3.100 . 3.100 2.495 2.399 2.612 . 0 0 "[ . 1 . 2 ]" 1
351 1 85 TYR HA 1 86 THR H 3.500 . 3.500 3.563 3.547 3.588 0.088 13 0 "[ . 1 . 2 ]" 1
352 1 85 TYR QB 1 86 THR H 4.000 . 4.000 2.602 2.284 2.786 . 0 0 "[ . 1 . 2 ]" 1
353 1 86 THR H 1 86 THR HB 2.510 . 2.510 2.551 2.533 2.585 0.075 24 0 "[ . 1 . 2 ]" 1
354 1 86 THR H 1 86 THR MG 4.870 . 4.870 3.763 3.755 3.770 . 0 0 "[ . 1 . 2 ]" 1
355 1 17 LEU MD1 1 87 GLU H 5.000 . 5.000 3.357 3.048 3.775 . 0 0 "[ . 1 . 2 ]" 1
356 1 84 PHE HA 1 87 GLU H 3.600 . 3.600 3.466 3.356 3.616 0.016 3 0 "[ . 1 . 2 ]" 1
357 1 86 THR H 1 87 GLU H 3.100 . 3.100 2.643 2.567 2.710 . 0 0 "[ . 1 . 2 ]" 1
358 1 86 THR HA 1 87 GLU H 3.600 . 3.600 3.575 3.538 3.598 . 0 0 "[ . 1 . 2 ]" 1
359 1 86 THR HB 1 87 GLU H 3.000 . 3.000 2.730 2.601 2.913 . 0 0 "[ . 1 . 2 ]" 1
360 1 86 THR MG 1 87 GLU H 5.000 . 5.000 3.653 3.543 3.754 . 0 0 "[ . 1 . 2 ]" 1
361 1 87 GLU H 1 87 GLU HB3 4.000 . 4.000 3.326 2.428 3.607 . 0 0 "[ . 1 . 2 ]" 1
362 1 85 TYR HA 1 88 LEU H 3.400 . 3.400 3.334 3.208 3.412 0.012 3 0 "[ . 1 . 2 ]" 1
363 1 87 GLU H 1 88 LEU H 3.150 . 3.150 2.512 2.442 2.563 . 0 0 "[ . 1 . 2 ]" 1
364 1 87 GLU HA 1 88 LEU H 3.500 . 3.500 3.549 3.529 3.569 0.069 19 0 "[ . 1 . 2 ]" 1
365 1 87 GLU HB2 1 88 LEU H 3.470 . 3.470 3.195 2.813 3.997 0.527 17 4 "[ . *1 * . + -2 ]" 1
366 1 88 LEU H 1 88 LEU MD1 5.000 . 5.000 3.519 3.416 3.605 . 0 0 "[ . 1 . 2 ]" 1
367 1 88 LEU H 1 88 LEU MD2 5.000 . 5.000 3.739 3.662 3.833 . 0 0 "[ . 1 . 2 ]" 1
368 1 86 THR HA 1 89 TYR H 3.400 . 3.400 3.463 3.430 3.500 0.100 15 0 "[ . 1 . 2 ]" 1
369 1 88 LEU HA 1 89 TYR H 3.510 . 3.510 3.577 3.551 3.596 0.086 8 0 "[ . 1 . 2 ]" 1
370 1 88 LEU HB2 1 89 TYR H 3.200 . 3.200 2.701 2.595 2.844 . 0 0 "[ . 1 . 2 ]" 1
371 1 88 LEU HB3 1 89 TYR H 3.600 . 3.600 3.579 3.451 3.646 0.046 6 0 "[ . 1 . 2 ]" 1
372 1 88 LEU MD1 1 89 TYR H 6.000 . 6.000 4.529 4.444 4.644 . 0 0 "[ . 1 . 2 ]" 1
373 1 88 LEU H 1 89 TYR H 3.000 . 3.000 2.598 2.506 2.708 . 0 0 "[ . 1 . 2 ]" 1
374 1 89 TYR H 1 90 GLN H 2.900 . 2.900 2.545 2.476 2.629 . 0 0 "[ . 1 . 2 ]" 1
375 1 87 GLU HA 1 90 GLN H 3.400 . 3.400 3.326 3.101 3.429 0.029 23 0 "[ . 1 . 2 ]" 1
376 1 89 TYR HA 1 90 GLN H 3.600 . 3.600 3.567 3.528 3.606 0.006 13 0 "[ . 1 . 2 ]" 1
377 1 88 LEU HA 1 91 GLN H 3.850 . 3.850 3.778 3.566 3.896 0.046 23 0 "[ . 1 . 2 ]" 1
378 1 90 GLN H 1 91 GLN H 3.150 . 3.150 2.645 2.574 2.753 . 0 0 "[ . 1 . 2 ]" 1
379 1 90 GLN HA 1 91 GLN H 3.550 . 3.550 3.588 3.567 3.609 0.059 23 0 "[ . 1 . 2 ]" 1
380 1 91 GLN H 1 92 LEU H 3.260 . 3.260 2.550 2.438 2.603 . 0 0 "[ . 1 . 2 ]" 1
381 1 92 LEU H 1 92 LEU QD 6.000 . 6.000 3.361 3.270 3.430 . 0 0 "[ . 1 . 2 ]" 1
382 1 92 LEU H 1 93 ASN H 3.250 . 3.250 2.604 2.516 2.703 . 0 0 "[ . 1 . 2 ]" 1
383 1 90 GLN HA 1 93 ASN H 3.300 . 3.300 3.332 3.167 3.394 0.094 3 0 "[ . 1 . 2 ]" 1
384 1 92 LEU HB2 1 93 ASN H 3.000 . 3.000 2.851 2.493 3.015 0.015 7 0 "[ . 1 . 2 ]" 1
385 1 92 LEU HB3 1 93 ASN H 3.500 . 3.500 3.337 3.096 3.568 0.068 19 0 "[ . 1 . 2 ]" 1
386 1 92 LEU QD 1 93 ASN H 7.000 . 7.000 4.150 3.973 4.246 . 0 0 "[ . 1 . 2 ]" 1
387 1 93 ASN H 1 94 ASP H 3.050 . 3.050 2.675 2.485 3.045 . 0 0 "[ . 1 . 2 ]" 1
388 1 90 GLN HA 1 94 ASP H 4.400 . 4.400 4.315 4.040 4.429 0.029 23 0 "[ . 1 . 2 ]" 1
389 1 91 GLN HA 1 94 ASP H 3.400 . 3.400 3.335 3.177 3.505 0.105 18 0 "[ . 1 . 2 ]" 1
390 1 93 ASN HA 1 94 ASP H 3.600 . 3.600 3.590 3.555 3.659 0.059 18 0 "[ . 1 . 2 ]" 1
391 1 94 ASP H 1 95 LEU H 3.200 . 3.200 2.616 2.480 2.676 . 0 0 "[ . 1 . 2 ]" 1
392 1 94 ASP HA 1 95 LEU H 3.600 . 3.600 3.567 3.540 3.576 . 0 0 "[ . 1 . 2 ]" 1
393 1 94 ASP HB2 1 95 LEU H 3.500 . 3.500 2.958 2.429 3.681 0.181 18 0 "[ . 1 . 2 ]" 1
394 1 94 ASP HB3 1 95 LEU H 3.500 . 3.500 3.226 2.380 3.746 0.246 18 0 "[ . 1 . 2 ]" 1
395 1 93 ASN HA 1 96 GLU H 3.500 . 3.500 3.440 3.257 3.557 0.057 18 0 "[ . 1 . 2 ]" 1
396 1 95 LEU H 1 96 GLU H 3.600 . 3.600 2.684 2.576 2.828 . 0 0 "[ . 1 . 2 ]" 1
397 1 95 LEU HA 1 96 GLU H 3.500 . 3.500 3.556 3.509 3.594 0.094 24 0 "[ . 1 . 2 ]" 1
398 1 96 GLU H 1 96 GLU QG 4.600 . 4.600 3.547 1.961 4.078 0.039 3 0 "[ . 1 . 2 ]" 1
399 1 94 ASP HA 1 97 ALA H 3.500 . 3.500 3.374 3.146 3.525 0.025 24 0 "[ . 1 . 2 ]" 1
400 1 96 GLU H 1 97 ALA H 3.000 . 3.000 2.530 2.317 2.644 . 0 0 "[ . 1 . 2 ]" 1
401 1 96 GLU HA 1 97 ALA H 3.450 . 3.450 3.546 3.514 3.584 0.134 15 0 "[ . 1 . 2 ]" 1
402 1 96 GLU QB 1 97 ALA H 4.300 . 4.300 2.868 2.480 3.680 . 0 0 "[ . 1 . 2 ]" 1
403 1 97 ALA H 1 98 CYS H 3.150 . 3.150 2.891 2.734 3.090 . 0 0 "[ . 1 . 2 ]" 1
404 1 53 ILE MD 1 98 CYS H 5.500 . 5.500 4.144 3.726 4.421 . 0 0 "[ . 1 . 2 ]" 1
405 1 98 CYS H 1 99 VAL MG2 5.500 . 5.500 4.106 3.890 4.333 . 0 0 "[ . 1 . 2 ]" 1
406 1 96 GLU HA 1 98 CYS H 4.500 . 4.500 4.288 4.091 4.502 0.002 18 0 "[ . 1 . 2 ]" 1
407 1 97 ALA HA 1 98 CYS H 3.600 . 3.600 3.597 3.577 3.617 0.017 7 0 "[ . 1 . 2 ]" 1
408 1 97 ALA MB 1 98 CYS H 4.200 . 4.200 2.479 2.318 2.647 . 0 0 "[ . 1 . 2 ]" 1
409 1 98 CYS H 1 98 CYS HB2 3.000 . 3.000 2.356 2.200 2.491 . 0 0 "[ . 1 . 2 ]" 1
410 1 98 CYS H 1 98 CYS HB3 3.500 . 3.500 3.537 2.965 3.582 0.082 14 0 "[ . 1 . 2 ]" 1
411 1 96 GLU HA 1 99 VAL H 3.200 . 3.200 3.138 2.983 3.215 0.015 18 0 "[ . 1 . 2 ]" 1
412 1 97 ALA HA 1 99 VAL H 4.500 . 4.500 4.485 4.201 4.584 0.084 14 0 "[ . 1 . 2 ]" 1
413 1 97 ALA MB 1 99 VAL H 5.800 . 5.800 4.500 4.367 4.589 . 0 0 "[ . 1 . 2 ]" 1
414 1 98 CYS HB2 1 99 VAL H 3.300 . 3.300 2.613 2.398 3.415 0.115 19 0 "[ . 1 . 2 ]" 1
415 1 98 CYS HB3 1 99 VAL H 3.450 . 3.450 3.416 2.490 3.529 0.079 15 0 "[ . 1 . 2 ]" 1
416 1 98 CYS H 1 99 VAL H 3.100 . 3.100 2.672 2.554 2.748 . 0 0 "[ . 1 . 2 ]" 1
417 1 99 VAL H 1 100 ILE H 3.000 . 3.000 2.704 2.561 2.800 . 0 0 "[ . 1 . 2 ]" 1
418 1 97 ALA HA 1 100 ILE H 3.800 . 3.800 3.345 3.113 3.495 . 0 0 "[ . 1 . 2 ]" 1
419 1 98 CYS H 1 100 ILE H 5.000 . 5.000 4.061 3.954 4.197 . 0 0 "[ . 1 . 2 ]" 1
420 1 99 VAL HB 1 100 ILE H 2.900 . 2.900 2.802 2.607 2.922 0.022 11 0 "[ . 1 . 2 ]" 1
421 1 100 ILE H 1 100 ILE HG13 3.000 . 3.000 2.792 2.006 3.647 0.647 14 11 "[* *. *- 1 +. ** 2****]" 1
422 1 100 ILE H 1 100 ILE HG12 3.600 . 3.600 2.835 2.080 3.572 . 0 0 "[ . 1 . 2 ]" 1
423 1 98 CYS HA 1 101 GLN H 4.000 . 4.000 3.798 3.581 4.053 0.053 15 0 "[ . 1 . 2 ]" 1
424 1 99 VAL HA 1 101 GLN H 5.000 . 5.000 4.788 4.531 5.024 0.024 11 0 "[ . 1 . 2 ]" 1
425 1 100 ILE HB 1 101 GLN H 3.500 . 3.500 2.297 2.190 2.360 . 0 0 "[ . 1 . 2 ]" 1
426 1 100 ILE HG13 1 101 GLN H 4.100 . 4.100 4.424 4.148 4.783 0.683 21 11 "[* *. -* 1 *. ** 2+***]" 1
427 1 100 ILE HG12 1 101 GLN H 4.900 . 4.900 4.523 3.936 4.923 0.023 3 0 "[ . 1 . 2 ]" 1
428 1 100 ILE MG 1 101 GLN H 4.000 . 4.000 3.215 3.019 3.312 . 0 0 "[ . 1 . 2 ]" 1
429 1 100 ILE HG13 1 101 GLN HE21 5.000 . 5.000 4.572 4.051 5.052 0.052 6 0 "[ . 1 . 2 ]" 1
430 1 100 ILE HG13 1 101 GLN HE22 6.000 . 6.000 4.998 3.450 6.033 0.033 20 0 "[ . 1 . 2 ]" 1
431 1 100 ILE MG 1 101 GLN HE21 6.000 . 6.000 2.291 2.032 3.698 . 0 0 "[ . 1 . 2 ]" 1
432 1 100 ILE MG 1 101 GLN HE22 5.500 . 5.500 2.493 2.185 3.009 . 0 0 "[ . 1 . 2 ]" 1
433 1 102 GLY H 1 103 VAL MG2 5.700 . 5.700 3.596 3.065 4.172 . 0 0 "[ . 1 . 2 ]" 1
434 1 101 GLN HA 1 102 GLY H 2.700 . 2.700 2.644 2.473 2.891 0.191 21 0 "[ . 1 . 2 ]" 1
435 1 101 GLN HB2 1 102 GLY H 4.000 . 4.000 3.333 2.965 4.128 0.128 21 0 "[ . 1 . 2 ]" 1
436 1 101 GLN HB3 1 102 GLY H 4.500 . 4.500 2.275 1.979 4.501 0.021 24 0 "[ . 1 . 2 ]" 1
437 1 101 GLN QG 1 102 GLY H 6.000 . 6.000 3.962 3.230 4.672 . 0 0 "[ . 1 . 2 ]" 1
438 1 102 GLY H 1 103 VAL H 3.250 . 3.250 2.938 2.476 3.328 0.078 18 0 "[ . 1 . 2 ]" 1
439 1 50 ALA MB 1 104 GLY H 5.500 . 5.500 3.375 1.968 4.559 0.032 13 0 "[ . 1 . 2 ]" 1
440 1 103 VAL HA 1 104 GLY H 2.600 . 2.600 2.463 2.209 2.769 0.169 18 0 "[ . 1 . 2 ]" 1
441 1 103 VAL HB 1 104 GLY H 3.800 . 3.800 3.391 2.182 4.148 0.348 24 0 "[ . 1 . 2 ]" 1
442 1 103 VAL QG 1 104 GLY H 6.500 . 6.500 2.653 1.818 3.738 0.182 21 0 "[ . 1 . 2 ]" 1
443 1 104 GLY HA3 1 105 VAL H 3.500 . 3.500 2.874 2.203 3.580 0.080 17 0 "[ . 1 . 2 ]" 1
444 1 104 GLY HA2 1 105 VAL H 3.200 . 3.200 2.972 2.209 3.597 0.397 7 0 "[ . 1 . 2 ]" 1
445 1 105 VAL H 1 106 THR MG 6.500 . 6.500 4.550 2.911 5.462 . 0 0 "[ . 1 . 2 ]" 1
446 1 105 VAL HA 1 106 THR H 3.000 . 3.000 2.512 2.150 3.356 0.356 16 0 "[ . 1 . 2 ]" 1
447 1 105 VAL HB 1 106 THR H 4.000 . 4.000 3.386 1.930 4.133 0.133 12 0 "[ . 1 . 2 ]" 1
448 1 105 VAL QG 1 106 THR H 6.500 . 6.500 2.937 2.032 3.791 . 0 0 "[ . 1 . 2 ]" 1
449 1 106 THR HA 1 107 GLU H 2.800 . 2.800 2.511 2.131 3.182 0.382 7 0 "[ . 1 . 2 ]" 1
450 1 106 THR HB 1 107 GLU H 3.500 . 3.500 3.038 1.928 3.903 0.403 3 0 "[ . 1 . 2 ]" 1
451 1 106 THR MG 1 107 GLU H 4.800 . 4.800 3.687 2.281 4.104 . 0 0 "[ . 1 . 2 ]" 1
452 1 106 THR HA 1 108 THR H 4.500 . 4.500 4.356 3.859 4.631 0.131 24 0 "[ . 1 . 2 ]" 1
453 1 107 GLU HA 1 108 THR H 3.600 . 3.600 3.569 3.486 3.614 0.014 24 0 "[ . 1 . 2 ]" 1
454 1 107 GLU QB 1 108 THR H 3.000 . 3.000 2.534 1.901 2.986 0.099 10 0 "[ . 1 . 2 ]" 1
455 1 108 THR H 1 111 MET QG 7.000 . 7.000 6.130 4.943 6.344 . 0 0 "[ . 1 . 2 ]" 1
456 1 109 PRO HA 1 110 LEU H 3.200 . 3.200 2.421 2.182 2.612 . 0 0 "[ . 1 . 2 ]" 1
457 1 109 PRO HB2 1 110 LEU H 4.000 . 4.000 2.960 2.426 4.095 0.095 21 0 "[ . 1 . 2 ]" 1
458 1 109 PRO HB3 1 110 LEU H 4.000 . 4.000 3.682 3.358 4.335 0.335 21 0 "[ . 1 . 2 ]" 1
459 1 110 LEU H 1 111 MET H 3.000 . 3.000 2.639 1.988 3.066 0.066 12 0 "[ . 1 . 2 ]" 1
460 1 110 LEU QD 1 111 MET H 6.000 . 6.000 3.592 1.829 4.435 0.171 17 0 "[ . 1 . 2 ]" 1
461 1 110 LEU HA 1 111 MET H 3.500 . 3.500 3.478 3.374 3.578 0.078 5 0 "[ . 1 . 2 ]" 1
462 1 111 MET H 1 112 LYS H 2.800 . 2.800 2.750 1.972 2.940 0.140 3 0 "[ . 1 . 2 ]" 1
463 1 112 LYS H 1 113 GLU H 3.000 . 3.000 2.784 2.286 3.070 0.070 4 0 "[ . 1 . 2 ]" 1
464 1 111 MET HA 1 114 ASP H 4.200 . 4.200 3.090 2.508 3.922 . 0 0 "[ . 1 . 2 ]" 1
465 1 113 GLU H 1 114 ASP H 2.900 . 2.900 2.420 2.021 2.751 . 0 0 "[ . 1 . 2 ]" 1
466 1 113 GLU QG 1 114 ASP H 5.000 . 5.000 3.920 3.272 4.427 . 0 0 "[ . 1 . 2 ]" 1
467 1 113 GLU QB 1 114 ASP H 4.500 . 4.500 3.019 2.378 4.080 . 0 0 "[ . 1 . 2 ]" 1
468 1 114 ASP H 1 115 SER H 2.900 . 2.900 2.732 2.447 2.909 0.009 13 0 "[ . 1 . 2 ]" 1
469 1 115 SER H 1 116 ILE H 3.000 . 3.000 2.640 2.422 2.771 . 0 0 "[ . 1 . 2 ]" 1
470 1 113 GLU HA 1 116 ILE H 3.350 . 3.350 3.200 2.878 3.404 0.054 8 0 "[ . 1 . 2 ]" 1
471 1 115 SER QB 1 116 ILE H 4.500 . 4.500 2.855 2.402 3.303 . 0 0 "[ . 1 . 2 ]" 1
472 1 116 ILE H 1 116 ILE HB 2.860 . 2.860 2.550 2.452 2.686 . 0 0 "[ . 1 . 2 ]" 1
473 1 116 ILE H 1 116 ILE HG13 3.270 . 3.270 2.070 1.983 2.211 0.017 20 0 "[ . 1 . 2 ]" 1
474 1 116 ILE H 1 116 ILE HG12 3.350 . 3.350 3.376 3.085 3.440 0.090 8 0 "[ . 1 . 2 ]" 1
475 1 114 ASP HA 1 117 LEU H 3.500 . 3.500 3.206 2.934 3.520 0.020 13 0 "[ . 1 . 2 ]" 1
476 1 116 ILE HA 1 117 LEU H 3.600 . 3.600 3.551 3.527 3.570 . 0 0 "[ . 1 . 2 ]" 1
477 1 116 ILE H 1 117 LEU H 2.900 . 2.900 2.540 2.446 2.610 . 0 0 "[ . 1 . 2 ]" 1
478 1 117 LEU H 1 118 ALA H 2.850 . 2.850 2.599 2.535 2.681 . 0 0 "[ . 1 . 2 ]" 1
479 1 117 LEU HA 1 118 ALA H 3.600 . 3.600 3.555 3.536 3.576 . 0 0 "[ . 1 . 2 ]" 1
480 1 118 ALA H 1 119 VAL H 2.850 . 2.850 2.623 2.548 2.711 . 0 0 "[ . 1 . 2 ]" 1
481 1 118 ALA H 1 120 ARG H 4.000 . 4.000 3.699 3.574 3.902 . 0 0 "[ . 1 . 2 ]" 1
482 1 116 ILE HA 1 119 VAL H 3.350 . 3.350 3.283 3.101 3.365 0.015 24 0 "[ . 1 . 2 ]" 1
483 1 118 ALA HA 1 119 VAL H 3.600 . 3.600 3.590 3.575 3.603 0.003 5 0 "[ . 1 . 2 ]" 1
484 1 118 ALA MB 1 119 VAL H 4.400 . 4.400 2.416 2.344 2.486 . 0 0 "[ . 1 . 2 ]" 1
485 1 119 VAL H 1 119 VAL HB 2.660 . 2.660 2.483 2.424 2.612 . 0 0 "[ . 1 . 2 ]" 1
486 1 119 VAL H 1 119 VAL MG1 4.900 . 4.900 3.761 3.748 3.787 . 0 0 "[ . 1 . 2 ]" 1
487 1 119 VAL H 1 119 VAL MG2 4.680 . 4.680 2.265 2.061 2.455 . 0 0 "[ . 1 . 2 ]" 1
488 1 119 VAL H 1 120 ARG H 3.000 . 3.000 2.591 2.532 2.720 . 0 0 "[ . 1 . 2 ]" 1
489 1 117 LEU MD2 1 120 ARG H 5.400 . 5.400 4.362 4.275 4.433 . 0 0 "[ . 1 . 2 ]" 1
490 1 119 VAL HB 1 120 ARG H 3.000 . 3.000 2.976 2.836 3.034 0.034 11 0 "[ . 1 . 2 ]" 1
491 1 119 VAL MG2 1 120 ARG H 5.500 . 5.500 4.014 3.913 4.085 . 0 0 "[ . 1 . 2 ]" 1
492 1 117 LEU HA 1 120 ARG H 3.400 . 3.400 3.153 3.020 3.375 . 0 0 "[ . 1 . 2 ]" 1
493 1 118 ALA HA 1 121 LYS H 3.400 . 3.400 3.479 3.414 3.539 0.139 13 0 "[ . 1 . 2 ]" 1
494 1 120 ARG H 1 121 LYS H 3.250 . 3.250 2.654 2.580 2.725 . 0 0 "[ . 1 . 2 ]" 1
495 1 120 ARG HA 1 121 LYS H 3.550 . 3.550 3.596 3.570 3.614 0.064 15 0 "[ . 1 . 2 ]" 1
496 1 121 LYS H 1 122 TYR H 3.250 . 3.250 2.526 2.446 2.640 . 0 0 "[ . 1 . 2 ]" 1
497 1 119 VAL HA 1 122 TYR H 3.400 . 3.400 3.298 3.180 3.435 0.035 13 0 "[ . 1 . 2 ]" 1
498 1 121 LYS HA 1 122 TYR H 3.600 . 3.600 3.537 3.496 3.564 . 0 0 "[ . 1 . 2 ]" 1
499 1 122 TYR H 1 122 TYR HB3 3.300 . 3.300 2.467 2.290 3.417 0.117 13 0 "[ . 1 . 2 ]" 1
500 1 122 TYR H 1 122 TYR HB2 3.350 . 3.350 2.614 2.112 2.794 . 0 0 "[ . 1 . 2 ]" 1
501 1 122 TYR H 1 123 PHE H 3.350 . 3.350 2.702 2.482 2.824 . 0 0 "[ . 1 . 2 ]" 1
502 1 120 ARG HA 1 123 PHE H 3.600 . 3.600 3.555 3.290 3.641 0.041 3 0 "[ . 1 . 2 ]" 1
503 1 122 TYR HB2 1 123 PHE H 5.000 . 5.000 3.802 3.051 3.967 . 0 0 "[ . 1 . 2 ]" 1
504 1 122 TYR QD 1 123 PHE H 6.000 . 6.000 3.345 3.004 4.672 . 0 0 "[ . 1 . 2 ]" 1
505 1 123 PHE H 1 123 PHE HB2 3.000 . 3.000 2.231 2.185 2.272 . 0 0 "[ . 1 . 2 ]" 1
506 1 123 PHE H 1 123 PHE HB3 3.500 . 3.500 3.527 3.465 3.551 0.051 10 0 "[ . 1 . 2 ]" 1
507 1 123 PHE H 1 124 GLN H 3.000 . 3.000 2.585 2.452 2.658 . 0 0 "[ . 1 . 2 ]" 1
508 1 121 LYS HA 1 124 GLN H 3.200 . 3.200 3.226 3.192 3.259 0.059 3 0 "[ . 1 . 2 ]" 1
509 1 123 PHE HB3 1 124 GLN H 4.500 . 4.500 3.714 3.471 3.884 . 0 0 "[ . 1 . 2 ]" 1
510 1 124 GLN H 1 124 GLN HB3 2.800 . 2.800 2.811 2.779 2.881 0.081 3 0 "[ . 1 . 2 ]" 1
511 1 124 GLN H 1 125 ARG H 3.050 . 3.050 2.592 2.540 2.662 . 0 0 "[ . 1 . 2 ]" 1
512 1 122 TYR HA 1 125 ARG H 4.500 . 4.500 3.628 3.374 3.710 . 0 0 "[ . 1 . 2 ]" 1
513 1 124 GLN HA 1 125 ARG H 3.600 . 3.600 3.565 3.554 3.578 . 0 0 "[ . 1 . 2 ]" 1
514 1 124 GLN HB2 1 125 ARG H 3.550 . 3.550 3.626 3.563 3.647 0.097 24 0 "[ . 1 . 2 ]" 1
515 1 124 GLN HB3 1 125 ARG H 3.500 . 3.500 2.583 2.532 2.671 . 0 0 "[ . 1 . 2 ]" 1
516 1 125 ARG H 1 125 ARG HB2 3.000 . 3.000 2.482 2.214 2.593 . 0 0 "[ . 1 . 2 ]" 1
517 1 125 ARG H 1 125 ARG HB3 3.200 . 3.200 2.654 2.522 2.966 . 0 0 "[ . 1 . 2 ]" 1
518 1 125 ARG H 1 126 ILE H 3.000 . 3.000 2.592 2.514 2.700 . 0 0 "[ . 1 . 2 ]" 1
519 1 125 ARG H 1 127 THR H 4.000 . 4.000 4.065 4.043 4.099 0.099 22 0 "[ . 1 . 2 ]" 1
520 1 123 PHE HA 1 126 ILE H 3.200 . 3.200 3.007 2.938 3.070 . 0 0 "[ . 1 . 2 ]" 1
521 1 125 ARG HA 1 126 ILE H 3.550 . 3.550 3.574 3.550 3.587 0.037 13 0 "[ . 1 . 2 ]" 1
522 1 125 ARG HB2 1 126 ILE H 4.500 . 4.500 3.868 3.572 4.019 . 0 0 "[ . 1 . 2 ]" 1
523 1 125 ARG HB3 1 126 ILE H 3.800 . 3.800 2.707 2.580 2.841 . 0 0 "[ . 1 . 2 ]" 1
524 1 126 ILE H 1 126 ILE MD 4.950 . 4.950 3.576 3.526 3.667 . 0 0 "[ . 1 . 2 ]" 1
525 1 126 ILE H 1 126 ILE HB 2.950 . 2.950 2.564 2.533 2.606 . 0 0 "[ . 1 . 2 ]" 1
526 1 126 ILE H 1 126 ILE HG12 3.200 . 3.200 3.267 3.235 3.289 0.089 18 0 "[ . 1 . 2 ]" 1
527 1 126 ILE H 1 126 ILE HG13 3.600 . 3.600 2.049 1.989 2.107 0.011 11 0 "[ . 1 . 2 ]" 1
528 1 126 ILE H 1 126 ILE MG 4.700 . 4.700 3.767 3.760 3.777 . 0 0 "[ . 1 . 2 ]" 1
529 1 66 LEU MD1 1 127 THR H 5.400 . 5.400 4.314 4.116 4.447 . 0 0 "[ . 1 . 2 ]" 1
530 1 126 ILE HB 1 127 THR H 2.950 . 2.950 2.691 2.600 2.754 . 0 0 "[ . 1 . 2 ]" 1
531 1 126 ILE MG 1 127 THR H 5.400 . 5.400 3.591 3.492 3.691 . 0 0 "[ . 1 . 2 ]" 1
532 1 126 ILE H 1 127 THR H 3.100 . 3.100 2.673 2.598 2.730 . 0 0 "[ . 1 . 2 ]" 1
533 1 124 GLN HA 1 127 THR H 3.400 . 3.400 3.389 3.256 3.454 0.054 24 0 "[ . 1 . 2 ]" 1
534 1 127 THR H 1 127 THR MG 4.750 . 4.750 3.766 3.752 3.775 . 0 0 "[ . 1 . 2 ]" 1
535 1 126 ILE HA 1 128 LEU H 4.500 . 4.500 4.470 4.333 4.560 0.060 17 0 "[ . 1 . 2 ]" 1
536 1 127 THR HA 1 128 LEU H 3.600 . 3.600 3.585 3.567 3.596 . 0 0 "[ . 1 . 2 ]" 1
537 1 127 THR HB 1 128 LEU H 2.850 . 2.850 2.637 2.560 2.758 . 0 0 "[ . 1 . 2 ]" 1
538 1 127 THR MG 1 128 LEU H 5.200 . 5.200 3.672 3.529 3.893 . 0 0 "[ . 1 . 2 ]" 1
539 1 128 LEU H 1 128 LEU QD 6.000 . 6.000 3.307 2.154 3.763 . 0 0 "[ . 1 . 2 ]" 1
540 1 128 LEU H 1 129 TYR H 2.850 . 2.850 2.615 2.531 2.792 . 0 0 "[ . 1 . 2 ]" 1
541 1 128 LEU H 1 130 LEU H 4.850 . 4.850 4.117 3.966 4.274 . 0 0 "[ . 1 . 2 ]" 1
542 1 126 ILE HA 1 129 TYR H 3.600 . 3.600 3.410 3.291 3.645 0.045 24 0 "[ . 1 . 2 ]" 1
543 1 128 LEU HB2 1 129 TYR H 3.600 . 3.600 3.484 2.844 3.716 0.116 19 0 "[ . 1 . 2 ]" 1
544 1 128 LEU HB3 1 129 TYR H 3.000 . 3.000 2.897 2.429 3.653 0.653 8 3 "[ . + 1 * - 2 ]" 1
545 1 128 LEU QD 1 129 TYR H 7.000 . 7.000 3.872 3.218 4.241 . 0 0 "[ . 1 . 2 ]" 1
546 1 127 THR HA 1 130 LEU H 3.600 . 3.600 3.452 3.336 3.599 . 0 0 "[ . 1 . 2 ]" 1
547 1 128 LEU HA 1 130 LEU H 4.500 . 4.500 4.294 4.186 4.451 . 0 0 "[ . 1 . 2 ]" 1
548 1 129 TYR H 1 130 LEU H 2.900 . 2.900 2.669 2.598 2.748 . 0 0 "[ . 1 . 2 ]" 1
549 1 129 TYR HA 1 130 LEU H 3.500 . 3.500 3.559 3.545 3.572 0.072 19 0 "[ . 1 . 2 ]" 1
550 1 129 TYR HB2 1 130 LEU H 3.750 . 3.750 3.715 3.164 3.810 0.060 19 0 "[ . 1 . 2 ]" 1
551 1 129 TYR HB3 1 130 LEU H 3.250 . 3.250 2.674 2.442 3.177 . 0 0 "[ . 1 . 2 ]" 1
552 1 129 TYR QD 1 130 LEU H 5.250 . 5.250 3.912 3.357 4.707 . 0 0 "[ . 1 . 2 ]" 1
553 1 130 LEU H 1 130 LEU HG 3.250 . 3.250 2.221 2.105 2.347 . 0 0 "[ . 1 . 2 ]" 1
554 1 130 LEU H 1 130 LEU MD1 5.000 . 5.000 3.365 3.250 3.466 . 0 0 "[ . 1 . 2 ]" 1
555 1 130 LEU H 1 130 LEU MD2 5.200 . 5.200 3.569 3.437 3.724 . 0 0 "[ . 1 . 2 ]" 1
556 1 130 LEU H 1 143 VAL MG2 6.000 . 6.000 4.275 4.031 4.641 . 0 0 "[ . 1 . 2 ]" 1
557 1 127 THR HA 1 131 LYS H 4.500 . 4.500 4.297 4.158 4.425 . 0 0 "[ . 1 . 2 ]" 1
558 1 128 LEU HA 1 131 LYS H 3.200 . 3.200 3.239 3.165 3.280 0.080 14 0 "[ . 1 . 2 ]" 1
559 1 130 LEU HA 1 131 LYS H 3.600 . 3.600 3.592 3.566 3.607 0.007 23 0 "[ . 1 . 2 ]" 1
560 1 130 LEU MD1 1 131 LYS H 7.600 . 7.600 4.434 4.331 4.548 . 0 0 "[ . 1 . 2 ]" 1
561 1 130 LEU H 1 131 LYS H 3.100 . 3.100 2.646 2.544 2.705 . 0 0 "[ . 1 . 2 ]" 1
562 1 131 LYS H 1 132 GLU H 2.900 . 2.900 2.549 2.400 2.648 . 0 0 "[ . 1 . 2 ]" 1
563 1 128 LEU HA 1 132 GLU H 4.200 . 4.200 4.141 3.909 4.218 0.018 19 0 "[ . 1 . 2 ]" 1
564 1 128 LEU QD 1 132 GLU H 6.500 . 6.500 4.061 3.204 4.704 . 0 0 "[ . 1 . 2 ]" 1
565 1 129 TYR HA 1 132 GLU H 3.400 . 3.400 3.318 3.214 3.423 0.023 8 0 "[ . 1 . 2 ]" 1
566 1 131 LYS HA 1 132 GLU H 3.550 . 3.550 3.515 3.478 3.560 0.010 4 0 "[ . 1 . 2 ]" 1
567 1 130 LEU HA 1 133 LYS H 3.550 . 3.550 3.586 3.538 3.635 0.085 11 0 "[ . 1 . 2 ]" 1
568 1 132 GLU H 1 133 LYS H 2.850 . 2.850 2.613 2.485 2.762 . 0 0 "[ . 1 . 2 ]" 1
569 1 132 GLU HA 1 133 LYS H 3.550 . 3.550 3.581 3.572 3.589 0.039 24 0 "[ . 1 . 2 ]" 1
570 1 132 GLU HB2 1 133 LYS H 3.250 . 3.250 3.094 2.433 3.377 0.127 3 0 "[ . 1 . 2 ]" 1
571 1 132 GLU HB3 1 133 LYS H 3.100 . 3.100 2.692 2.170 3.325 0.225 24 0 "[ . 1 . 2 ]" 1
572 1 132 GLU HG2 1 133 LYS H 4.500 . 4.500 4.660 4.248 5.048 0.548 8 4 "[ * +-1 . 2 *]" 1
573 1 133 LYS H 1 133 LYS HD2 3.000 . 3.000 2.499 2.153 2.830 . 0 0 "[ . 1 . 2 ]" 1
574 1 133 LYS H 1 133 LYS HD3 3.250 . 3.250 2.768 2.551 2.969 . 0 0 "[ . 1 . 2 ]" 1
575 1 133 LYS H 1 134 LYS HA 4.750 . 4.750 4.788 4.752 4.822 0.072 17 0 "[ . 1 . 2 ]" 1
576 1 131 LYS HA 1 134 LYS H 3.800 . 3.800 3.344 3.218 3.402 . 0 0 "[ . 1 . 2 ]" 1
577 1 132 GLU HA 1 134 LYS H 3.650 . 3.650 3.739 3.715 3.788 0.138 20 0 "[ . 1 . 2 ]" 1
578 1 133 LYS H 1 134 LYS H 2.950 . 2.950 2.586 2.544 2.612 . 0 0 "[ . 1 . 2 ]" 1
579 1 133 LYS HA 1 134 LYS H 3.400 . 3.400 3.300 3.278 3.333 . 0 0 "[ . 1 . 2 ]" 1
580 1 133 LYS HB2 1 134 LYS H 3.700 . 3.700 3.730 3.627 3.768 0.068 13 0 "[ . 1 . 2 ]" 1
581 1 134 LYS H 1 134 LYS QG 4.000 . 4.000 2.740 2.579 3.469 . 0 0 "[ . 1 . 2 ]" 1
582 1 134 LYS H 1 134 LYS QD 5.100 . 5.100 3.887 2.104 4.628 . 0 0 "[ . 1 . 2 ]" 1
583 1 134 LYS H 1 135 TYR H 2.850 . 2.850 2.754 2.689 2.857 0.007 21 0 "[ . 1 . 2 ]" 1
584 1 134 LYS H 1 135 TYR QD 6.000 . 6.000 5.028 4.728 5.340 . 0 0 "[ . 1 . 2 ]" 1
585 1 131 LYS HA 1 135 TYR H 3.800 . 3.800 3.766 3.473 3.867 0.067 17 0 "[ . 1 . 2 ]" 1
586 1 134 LYS HA 1 135 TYR H 2.900 . 2.900 2.823 2.731 2.909 0.009 9 0 "[ . 1 . 2 ]" 1
587 1 134 LYS QB 1 135 TYR H 5.500 . 5.500 3.906 3.878 3.936 . 0 0 "[ . 1 . 2 ]" 1
588 1 134 LYS QG 1 135 TYR H 5.500 . 5.500 4.569 4.430 4.791 . 0 0 "[ . 1 . 2 ]" 1
589 1 135 TYR H 1 139 ALA MB 5.500 . 5.500 4.141 3.927 4.457 . 0 0 "[ . 1 . 2 ]" 1
590 1 134 LYS H 1 136 SER H 4.500 . 4.500 4.502 4.348 4.543 0.043 6 0 "[ . 1 . 2 ]" 1
591 1 135 TYR HA 1 136 SER H 2.850 . 2.850 2.700 2.629 2.754 . 0 0 "[ . 1 . 2 ]" 1
592 1 135 TYR H 1 136 SER H 3.050 . 3.050 2.866 2.812 2.937 . 0 0 "[ . 1 . 2 ]" 1
593 1 136 SER H 1 136 SER HB2 3.000 . 3.000 2.474 2.304 2.745 . 0 0 "[ . 1 . 2 ]" 1
594 1 136 SER H 1 139 ALA MB 4.500 . 4.500 2.547 2.351 2.766 . 0 0 "[ . 1 . 2 ]" 1
595 1 24 ILE MD 1 138 CYS H 5.200 . 5.200 3.591 3.334 3.846 . 0 0 "[ . 1 . 2 ]" 1
596 1 137 PRO HA 1 138 CYS H 3.450 . 3.450 3.574 3.550 3.602 0.152 14 0 "[ . 1 . 2 ]" 1
597 1 138 CYS H 1 139 ALA H 3.050 . 3.050 2.555 2.449 2.653 . 0 0 "[ . 1 . 2 ]" 1
598 1 138 CYS H 1 139 ALA MB 6.500 . 6.500 4.222 4.081 4.322 . 0 0 "[ . 1 . 2 ]" 1
599 1 136 SER H 1 139 ALA H 4.500 . 4.500 4.111 4.005 4.242 . 0 0 "[ . 1 . 2 ]" 1
600 1 136 SER HB3 1 139 ALA H 4.500 . 4.500 2.749 2.221 3.133 . 0 0 "[ . 1 . 2 ]" 1
601 1 138 CYS HA 1 139 ALA H 3.600 . 3.600 3.580 3.563 3.601 0.001 3 0 "[ . 1 . 2 ]" 1
602 1 138 CYS HB3 1 139 ALA H 3.500 . 3.500 3.378 3.231 3.538 0.038 18 0 "[ . 1 . 2 ]" 1
603 1 138 CYS HB2 1 139 ALA H 3.500 . 3.500 2.869 2.705 2.995 . 0 0 "[ . 1 . 2 ]" 1
604 1 139 ALA H 1 139 ALA MB 3.600 . 3.600 2.174 2.058 2.258 . 0 0 "[ . 1 . 2 ]" 1
605 1 137 PRO HA 1 140 TRP H 3.450 . 3.450 3.451 3.368 3.482 0.032 22 0 "[ . 1 . 2 ]" 1
606 1 139 ALA MB 1 140 TRP H 4.200 . 4.200 2.638 2.506 2.777 . 0 0 "[ . 1 . 2 ]" 1
607 1 139 ALA H 1 140 TRP H 3.000 . 3.000 2.654 2.614 2.735 . 0 0 "[ . 1 . 2 ]" 1
608 1 140 TRP H 1 141 GLU H 3.000 . 3.000 2.621 2.527 2.696 . 0 0 "[ . 1 . 2 ]" 1
609 1 71 ASP QB 1 140 TRP HE1 5.000 . 5.000 3.028 2.724 3.405 . 0 0 "[ . 1 . 2 ]" 1
610 1 72 SER HA 1 140 TRP HE1 4.000 . 4.000 3.725 3.590 3.864 . 0 0 "[ . 1 . 2 ]" 1
611 1 75 ALA MB 1 140 TRP HE1 4.500 . 4.500 2.788 2.611 2.982 . 0 0 "[ . 1 . 2 ]" 1
612 1 75 ALA H 1 140 TRP HE1 5.000 . 5.000 4.977 4.846 5.041 0.041 4 0 "[ . 1 . 2 ]" 1
613 1 135 TYR QD 1 140 TRP HE1 5.000 . 5.000 2.263 1.824 2.824 0.176 1 0 "[ . 1 . 2 ]" 1
614 1 135 TYR QE 1 140 TRP HE1 7.200 . 7.200 4.539 4.105 5.035 . 0 0 "[ . 1 . 2 ]" 1
615 1 135 TYR HA 1 140 TRP HE1 2.800 . 2.800 2.796 2.659 2.861 0.061 1 0 "[ . 1 . 2 ]" 1
616 1 135 TYR HB3 1 140 TRP HE1 2.900 . 2.900 1.997 1.963 2.059 0.037 17 0 "[ . 1 . 2 ]" 1
617 1 76 TRP HZ2 1 140 TRP HE3 3.500 . 3.500 2.556 2.270 2.778 . 0 0 "[ . 1 . 2 ]" 1
618 1 76 TRP HH2 1 140 TRP HE3 5.500 . 5.500 4.969 4.659 5.235 . 0 0 "[ . 1 . 2 ]" 1
619 1 138 CYS HA 1 141 GLU H 3.400 . 3.400 3.244 3.086 3.423 0.023 5 0 "[ . 1 . 2 ]" 1
620 1 141 GLU H 1 142 VAL H 3.230 . 3.230 2.630 2.508 2.713 . 0 0 "[ . 1 . 2 ]" 1
621 1 139 ALA HA 1 142 VAL H 3.600 . 3.600 3.458 3.246 3.617 0.017 14 0 "[ . 1 . 2 ]" 1
622 1 142 VAL H 1 142 VAL HB 2.860 . 2.860 2.411 2.342 2.484 . 0 0 "[ . 1 . 2 ]" 1
623 1 142 VAL H 1 142 VAL MG1 4.700 . 4.700 3.748 3.727 3.766 . 0 0 "[ . 1 . 2 ]" 1
624 1 142 VAL H 1 142 VAL MG2 4.450 . 4.450 2.378 2.179 2.528 . 0 0 "[ . 1 . 2 ]" 1
625 1 140 TRP HA 1 143 VAL H 3.700 . 3.700 3.268 3.156 3.418 . 0 0 "[ . 1 . 2 ]" 1
626 1 142 VAL H 1 143 VAL H 3.250 . 3.250 2.632 2.531 2.704 . 0 0 "[ . 1 . 2 ]" 1
627 1 142 VAL HA 1 143 VAL H 3.500 . 3.500 3.568 3.552 3.580 0.080 9 0 "[ . 1 . 2 ]" 1
628 1 142 VAL HB 1 143 VAL H 3.200 . 3.200 2.640 2.534 2.766 . 0 0 "[ . 1 . 2 ]" 1
629 1 142 VAL MG1 1 143 VAL H 5.600 . 5.600 3.338 3.238 3.466 . 0 0 "[ . 1 . 2 ]" 1
630 1 141 GLU HA 1 144 ARG H 3.410 . 3.410 3.161 2.891 3.325 . 0 0 "[ . 1 . 2 ]" 1
631 1 143 VAL HA 1 144 ARG H 3.500 . 3.500 3.517 3.500 3.537 0.037 22 0 "[ . 1 . 2 ]" 1
632 1 143 VAL HB 1 144 ARG H 3.100 . 3.100 3.035 2.874 3.113 0.013 24 0 "[ . 1 . 2 ]" 1
633 1 143 VAL MG1 1 144 ARG H 5.200 . 5.200 3.769 3.573 3.831 . 0 0 "[ . 1 . 2 ]" 1
634 1 143 VAL MG2 1 144 ARG H 5.200 . 5.200 4.026 3.903 4.096 . 0 0 "[ . 1 . 2 ]" 1
635 1 143 VAL H 1 144 ARG H 3.250 . 3.250 2.542 2.457 2.618 . 0 0 "[ . 1 . 2 ]" 1
636 1 144 ARG H 1 144 ARG HB3 3.250 . 3.250 2.602 2.153 2.979 . 0 0 "[ . 1 . 2 ]" 1
637 1 144 ARG H 1 145 ALA H 3.100 . 3.100 2.629 2.538 2.761 . 0 0 "[ . 1 . 2 ]" 1
638 1 143 VAL HA 1 145 ALA H 4.500 . 4.500 4.550 4.445 4.620 0.120 20 0 "[ . 1 . 2 ]" 1
639 1 144 ARG HA 1 145 ALA H 3.550 . 3.550 3.576 3.543 3.600 0.050 9 0 "[ . 1 . 2 ]" 1
640 1 144 ARG HB3 1 145 ALA H 3.200 . 3.200 2.468 2.299 3.295 0.095 23 0 "[ . 1 . 2 ]" 1
641 1 144 ARG HB2 1 145 ALA H 3.550 . 3.550 3.663 3.328 3.929 0.379 8 0 "[ . 1 . 2 ]" 1
642 1 145 ALA H 1 146 GLU H 3.050 . 3.050 2.580 2.433 2.700 . 0 0 "[ . 1 . 2 ]" 1
643 1 143 VAL HA 1 146 GLU H 3.300 . 3.300 3.183 2.970 3.260 . 0 0 "[ . 1 . 2 ]" 1
644 1 145 ALA HA 1 146 GLU H 3.500 . 3.500 3.539 3.481 3.554 0.054 8 0 "[ . 1 . 2 ]" 1
645 1 145 ALA MB 1 146 GLU H 4.100 . 4.100 2.756 2.605 3.016 . 0 0 "[ . 1 . 2 ]" 1
646 1 146 GLU H 1 147 ILE H 3.100 . 3.100 2.572 2.383 2.632 . 0 0 "[ . 1 . 2 ]" 1
647 1 146 GLU H 1 148 MET H 4.000 . 4.000 3.991 3.744 4.048 0.048 18 0 "[ . 1 . 2 ]" 1
648 1 147 ILE H 1 147 ILE HG13 3.600 . 3.600 3.632 3.593 3.654 0.054 8 0 "[ . 1 . 2 ]" 1
649 1 147 ILE H 1 147 ILE HG12 3.150 . 3.150 2.451 2.323 2.507 . 0 0 "[ . 1 . 2 ]" 1
650 1 147 ILE H 1 147 ILE MG 4.800 . 4.800 3.743 3.713 3.761 . 0 0 "[ . 1 . 2 ]" 1
651 1 147 ILE H 1 147 ILE MD 4.500 . 4.500 3.727 3.527 3.788 . 0 0 "[ . 1 . 2 ]" 1
652 1 18 LEU MD1 1 148 MET H 4.500 . 4.500 3.369 3.169 3.541 . 0 0 "[ . 1 . 2 ]" 1
653 1 147 ILE H 1 148 MET H 3.000 . 3.000 2.474 2.392 2.561 . 0 0 "[ . 1 . 2 ]" 1
654 1 147 ILE MG 1 148 MET H 4.750 . 4.750 3.485 3.333 3.612 . 0 0 "[ . 1 . 2 ]" 1
655 1 148 MET H 1 148 MET HG2 4.000 . 4.000 4.254 3.666 4.536 0.536 23 7 "[* * * *1 * . 2 -+ ]" 1
656 1 148 MET H 1 148 MET HG3 4.750 . 4.750 4.322 2.551 4.544 . 0 0 "[ . 1 . 2 ]" 1
657 1 146 GLU HA 1 149 ARG H 3.700 . 3.700 3.537 3.293 3.740 0.040 11 0 "[ . 1 . 2 ]" 1
658 1 148 MET H 1 149 ARG H 3.100 . 3.100 2.564 2.460 2.746 . 0 0 "[ . 1 . 2 ]" 1
659 1 148 MET HA 1 149 ARG H 3.500 . 3.500 3.565 3.543 3.583 0.083 11 0 "[ . 1 . 2 ]" 1
660 1 149 ARG H 1 149 ARG HB2 3.000 . 3.000 2.238 2.100 2.456 . 0 0 "[ . 1 . 2 ]" 1
661 1 149 ARG H 1 150 SER H 3.150 . 3.150 2.628 2.543 2.752 . 0 0 "[ . 1 . 2 ]" 1
662 1 147 ILE HA 1 150 SER H 3.500 . 3.500 3.525 3.393 3.577 0.077 23 0 "[ . 1 . 2 ]" 1
663 1 149 ARG HA 1 150 SER H 3.500 . 3.500 3.574 3.555 3.587 0.087 22 0 "[ . 1 . 2 ]" 1
664 1 149 ARG HB2 1 150 SER H 3.350 . 3.350 3.378 2.803 3.565 0.215 16 0 "[ . 1 . 2 ]" 1
665 1 149 ARG HB3 1 150 SER H 3.250 . 3.250 2.625 2.147 3.271 0.021 8 0 "[ . 1 . 2 ]" 1
666 1 150 SER H 1 150 SER HB2 3.750 . 3.750 3.050 2.410 3.625 . 0 0 "[ . 1 . 2 ]" 1
667 1 150 SER H 1 150 SER HB3 3.700 . 3.700 3.106 2.547 3.618 . 0 0 "[ . 1 . 2 ]" 1
668 1 63 ILE MD 1 151 PHE H 5.500 . 5.500 4.170 3.861 4.497 . 0 0 "[ . 1 . 2 ]" 1
669 1 147 ILE HA 1 151 PHE H 4.800 . 4.800 3.665 3.483 3.913 . 0 0 "[ . 1 . 2 ]" 1
670 1 150 SER H 1 151 PHE H 3.500 . 3.500 2.711 2.586 2.889 . 0 0 "[ . 1 . 2 ]" 1
671 1 149 ARG HA 1 152 SER H 3.400 . 3.400 3.446 3.354 3.510 0.110 20 0 "[ . 1 . 2 ]" 1
672 1 151 PHE HA 1 152 SER H 3.500 . 3.500 3.572 3.547 3.591 0.091 20 0 "[ . 1 . 2 ]" 1
673 1 151 PHE QB 1 152 SER H 4.650 . 4.650 2.635 2.472 2.804 . 0 0 "[ . 1 . 2 ]" 1
674 1 151 PHE H 1 152 SER H 3.100 . 3.100 2.616 2.542 2.706 . 0 0 "[ . 1 . 2 ]" 1
675 1 150 SER HA 1 153 LEU H 3.500 . 3.500 3.391 3.283 3.481 . 0 0 "[ . 1 . 2 ]" 1
676 1 152 SER H 1 153 LEU H 3.400 . 3.400 2.561 2.475 2.652 . 0 0 "[ . 1 . 2 ]" 1
677 1 153 LEU H 1 153 LEU HB2 2.600 . 2.600 2.354 2.261 2.408 . 0 0 "[ . 1 . 2 ]" 1
678 1 153 LEU H 1 153 LEU HB3 3.600 . 3.600 3.573 3.542 3.591 . 0 0 "[ . 1 . 2 ]" 1
679 1 153 LEU H 1 153 LEU HG 4.500 . 4.500 2.429 2.307 2.631 . 0 0 "[ . 1 . 2 ]" 1
680 1 153 LEU H 1 154 SER H 3.400 . 3.400 2.610 2.508 2.738 . 0 0 "[ . 1 . 2 ]" 1
681 1 38 PHE HZ 1 154 SER H 5.000 . 5.000 3.587 3.267 3.850 . 0 0 "[ . 1 . 2 ]" 1
682 1 153 LEU HA 1 154 SER H 3.550 . 3.550 3.571 3.548 3.592 0.042 5 0 "[ . 1 . 2 ]" 1
683 1 154 SER H 1 154 SER HB3 3.500 . 3.500 3.405 2.298 3.580 0.080 22 0 "[ . 1 . 2 ]" 1
684 1 154 SER H 1 154 SER HB2 3.050 . 3.050 2.514 2.220 3.580 0.530 4 3 "[ * +. - 1 . 2 ]" 1
685 1 153 LEU HA 1 156 ASN H 3.430 . 3.430 3.405 3.170 3.500 0.070 5 0 "[ . 1 . 2 ]" 1
686 1 155 THR H 1 156 ASN H 3.150 . 3.150 2.455 2.270 2.629 . 0 0 "[ . 1 . 2 ]" 1
687 1 156 ASN H 1 157 LEU H 3.000 . 3.000 2.664 2.571 2.786 . 0 0 "[ . 1 . 2 ]" 1
688 1 156 ASN HA 1 158 GLN H 4.000 . 4.000 3.694 3.153 4.036 0.036 3 0 "[ . 1 . 2 ]" 1
689 1 157 LEU H 1 158 GLN H 3.300 . 3.300 2.723 2.539 2.923 . 0 0 "[ . 1 . 2 ]" 1
690 1 159 GLU HA 1 160 SER H 3.250 . 3.250 3.031 2.128 3.527 0.277 7 0 "[ . 1 . 2 ]" 1
691 1 159 GLU H 1 160 SER H 3.800 . 3.800 2.896 2.001 4.062 0.262 13 0 "[ . 1 . 2 ]" 1
692 1 159 GLU HB2 1 160 SER H 3.500 . 3.500 3.844 3.295 4.324 0.824 22 11 "[ **** * * * -*2 + *]" 1
693 1 159 GLU HB3 1 160 SER H 4.200 . 4.200 3.662 1.992 4.317 0.117 13 0 "[ . 1 . 2 ]" 1
694 1 159 GLU QG 1 160 SER H 5.800 . 5.800 4.189 3.034 4.599 . 0 0 "[ . 1 . 2 ]" 1
695 1 160 SER H 1 161 LEU H 3.700 . 3.700 3.366 2.347 3.885 0.185 20 0 "[ . 1 . 2 ]" 1
696 1 162 ARG H 1 163 SER H 3.330 . 3.330 2.762 2.049 3.386 0.056 14 0 "[ . 1 . 2 ]" 1
697 1 163 SER HA 1 164 LYS H 2.800 . 2.800 2.361 2.203 2.781 . 0 0 "[ . 1 . 2 ]" 1
698 1 164 LYS H 1 165 GLU H 3.500 . 3.500 3.239 2.381 3.632 0.132 22 0 "[ . 1 . 2 ]" 1
699 1 164 LYS HA 1 165 GLU H 3.000 . 3.000 2.630 2.283 3.286 0.286 22 0 "[ . 1 . 2 ]" 1
700 1 18 LEU MD2 1 148 MET H 5.500 . 5.500 4.267 3.277 4.456 . 0 0 "[ . 1 . 2 ]" 1
701 1 145 ALA HA 1 148 MET H 3.400 . 3.400 3.345 3.135 3.425 0.025 20 0 "[ . 1 . 2 ]" 1
702 1 145 ALA MB 1 148 MET H 6.500 . 6.500 4.560 4.447 4.649 . 0 0 "[ . 1 . 2 ]" 1
703 1 147 ILE HA 1 148 MET H 3.500 . 3.500 3.553 3.540 3.566 0.066 7 0 "[ . 1 . 2 ]" 1
704 1 147 ILE HB 1 148 MET H 3.500 . 3.500 2.832 2.744 2.927 . 0 0 "[ . 1 . 2 ]" 1
705 1 148 MET H 1 148 MET HB2 3.200 . 3.200 2.659 2.151 2.964 . 0 0 "[ . 1 . 2 ]" 1
706 1 148 MET H 1 148 MET HB3 3.000 . 3.000 2.470 2.127 3.430 0.430 11 0 "[ . 1 . 2 ]" 1
707 1 148 MET H 1 148 MET ME 6.000 . 6.000 4.556 4.025 4.839 . 0 0 "[ . 1 . 2 ]" 1
708 1 60 ILE H 1 92 LEU MD1 7.000 . 7.000 5.047 4.578 5.358 . 0 0 "[ . 1 . 2 ]" 1
709 1 124 GLN HA 1 128 LEU H 4.500 . 4.500 4.327 4.129 4.451 . 0 0 "[ . 1 . 2 ]" 1
710 1 125 ARG HA 1 128 LEU H 3.400 . 3.400 3.311 3.140 3.410 0.010 17 0 "[ . 1 . 2 ]" 1
711 1 130 LEU MD1 1 140 TRP HE3 7.500 . 7.500 4.308 4.118 4.491 . 0 0 "[ . 1 . 2 ]" 1
712 1 130 LEU MD2 1 140 TRP HE3 5.500 . 5.500 3.323 3.223 3.447 . 0 0 "[ . 1 . 2 ]" 1
713 1 140 TRP HA 1 140 TRP HE3 3.500 . 3.500 2.504 2.427 2.586 . 0 0 "[ . 1 . 2 ]" 1
714 1 140 TRP HE3 1 143 VAL MG1 4.500 . 4.500 3.276 3.091 3.576 . 0 0 "[ . 1 . 2 ]" 1
715 1 140 TRP HE3 1 143 VAL MG2 6.000 . 6.000 3.965 3.818 4.072 . 0 0 "[ . 1 . 2 ]" 1
716 1 146 GLU H 1 146 GLU HG3 3.500 . 3.500 3.488 2.417 3.666 0.166 22 0 "[ . 1 . 2 ]" 1
717 1 146 GLU H 1 146 GLU HG2 3.200 . 3.200 2.601 2.312 3.602 0.402 11 0 "[ . 1 . 2 ]" 1
718 1 122 TYR HA 1 123 PHE H 3.500 . 3.500 3.586 3.558 3.594 0.094 15 0 "[ . 1 . 2 ]" 1
719 1 75 ALA MB 1 76 TRP HZ2 6.000 . 6.000 4.201 3.983 4.488 . 0 0 "[ . 1 . 2 ]" 1
720 1 76 TRP HZ2 1 130 LEU MD2 6.500 . 6.500 5.272 5.087 5.377 . 0 0 "[ . 1 . 2 ]" 1
721 1 76 TRP HZ2 1 140 TRP HA 4.000 . 4.000 3.521 3.237 3.658 . 0 0 "[ . 1 . 2 ]" 1
722 1 76 TRP HZ2 1 140 TRP HB2 4.000 . 4.000 3.967 3.650 4.042 0.042 21 0 "[ . 1 . 2 ]" 1
723 1 76 TRP HZ2 1 140 TRP HB3 4.000 . 4.000 2.269 1.972 2.360 0.028 22 0 "[ . 1 . 2 ]" 1
724 1 76 TRP HZ2 1 143 VAL MG1 7.000 . 7.000 4.697 4.347 5.093 . 0 0 "[ . 1 . 2 ]" 1
725 1 76 TRP HZ2 1 143 VAL MG2 6.500 . 6.500 5.327 5.174 5.424 . 0 0 "[ . 1 . 2 ]" 1
726 1 76 TRP HZ2 1 144 ARG HB2 4.000 . 4.000 2.479 2.020 3.341 . 0 0 "[ . 1 . 2 ]" 1
727 1 126 ILE MG 1 130 LEU H 6.200 . 6.200 4.045 3.694 4.251 . 0 0 "[ . 1 . 2 ]" 1
728 1 60 ILE MG 1 91 GLN H 7.500 . 7.500 4.340 3.902 4.735 . 0 0 "[ . 1 . 2 ]" 1
729 1 90 GLN QB 1 91 GLN H 4.000 . 4.000 2.499 2.319 3.486 . 0 0 "[ . 1 . 2 ]" 1
730 1 148 MET ME 1 149 ARG H 6.500 . 6.500 5.379 5.317 5.420 . 0 0 "[ . 1 . 2 ]" 1
731 1 22 ARG HA 1 76 TRP HE3 4.200 . 4.200 4.077 3.651 4.260 0.060 16 0 "[ . 1 . 2 ]" 1
732 1 23 LYS HB2 1 76 TRP HE3 5.000 . 5.000 4.519 3.689 5.596 0.596 8 4 "[ . +*1 * 2- ]" 1
733 1 23 LYS HB3 1 76 TRP HE3 5.500 . 5.500 5.054 3.649 5.605 0.105 14 0 "[ . 1 . 2 ]" 1
734 1 23 LYS HD2 1 76 TRP HE3 3.500 . 3.500 2.579 1.976 3.620 0.120 5 0 "[ . 1 . 2 ]" 1
735 1 23 LYS HD3 1 76 TRP HE3 3.200 . 3.200 2.370 1.983 3.562 0.362 7 0 "[ . 1 . 2 ]" 1
736 1 23 LYS QE 1 76 TRP HE3 4.200 . 4.200 2.966 2.149 3.794 . 0 0 "[ . 1 . 2 ]" 1
737 1 21 MET HA 1 76 TRP HE3 3.800 . 3.800 3.801 3.570 3.935 0.135 22 0 "[ . 1 . 2 ]" 1
738 1 21 MET QB 1 76 TRP HE3 4.800 . 4.800 2.856 2.379 4.327 . 0 0 "[ . 1 . 2 ]" 1
739 1 21 MET ME 1 76 TRP HE3 5.300 . 5.300 4.286 4.161 4.416 . 0 0 "[ . 1 . 2 ]" 1
740 1 75 ALA MB 1 76 TRP HE3 6.500 . 6.500 4.819 4.684 4.954 . 0 0 "[ . 1 . 2 ]" 1
741 1 76 TRP HA 1 76 TRP HE3 2.500 . 2.500 2.502 2.457 2.557 0.057 21 0 "[ . 1 . 2 ]" 1
742 1 119 VAL MG1 1 123 PHE QD 5.000 . 5.000 2.146 1.940 2.453 0.060 3 0 "[ . 1 . 2 ]" 1
743 1 123 PHE QD 1 147 ILE MD 6.500 . 6.500 3.531 3.309 3.797 . 0 0 "[ . 1 . 2 ]" 1
744 1 21 MET ME 1 67 PHE QD 4.500 . 4.500 1.898 1.707 2.136 0.293 22 0 "[ . 1 . 2 ]" 1
745 1 63 ILE MG 1 67 PHE QD 3.800 . 3.800 2.430 1.889 2.637 0.111 17 0 "[ . 1 . 2 ]" 1
746 1 63 ILE MD 1 67 PHE QD 7.000 . 7.000 4.918 4.473 5.078 . 0 0 "[ . 1 . 2 ]" 1
747 1 66 LEU HB3 1 67 PHE QD 5.000 . 5.000 2.258 2.094 2.638 . 0 0 "[ . 1 . 2 ]" 1
748 1 66 LEU MD1 1 67 PHE QD 6.700 . 6.700 4.401 4.253 4.850 . 0 0 "[ . 1 . 2 ]" 1
749 1 66 LEU MD2 1 67 PHE QD 5.500 . 5.500 3.004 2.781 3.351 . 0 0 "[ . 1 . 2 ]" 1
750 1 67 PHE QD 1 81 LEU MD1 5.700 . 5.700 3.403 3.022 3.800 . 0 0 "[ . 1 . 2 ]" 1
751 1 67 PHE QD 1 81 LEU MD2 4.000 . 4.000 1.766 1.658 1.972 0.342 1 0 "[ . 1 . 2 ]" 1
752 1 67 PHE QD 1 147 ILE MG 5.800 . 5.800 4.056 3.728 4.302 . 0 0 "[ . 1 . 2 ]" 1
753 1 59 MET ME 1 123 PHE HZ 4.800 . 4.800 3.149 2.752 3.478 . 0 0 "[ . 1 . 2 ]" 1
754 1 123 PHE HZ 1 126 ILE MD 4.800 . 4.800 4.070 4.039 4.095 . 0 0 "[ . 1 . 2 ]" 1
755 1 123 PHE HZ 1 147 ILE MG 4.500 . 4.500 3.341 3.066 3.526 . 0 0 "[ . 1 . 2 ]" 1
756 1 123 PHE HZ 1 147 ILE MD 3.500 . 3.500 2.450 2.156 2.655 . 0 0 "[ . 1 . 2 ]" 1
757 1 59 MET HA 1 123 PHE QE 5.500 . 5.500 4.270 3.357 4.959 . 0 0 "[ . 1 . 2 ]" 1
758 1 59 MET ME 1 123 PHE QE 4.800 . 4.800 2.526 2.140 2.812 . 0 0 "[ . 1 . 2 ]" 1
759 1 63 ILE HA 1 123 PHE QE 6.000 . 6.000 2.444 2.166 2.763 . 0 0 "[ . 1 . 2 ]" 1
760 1 66 LEU MD2 1 123 PHE QE 4.800 . 4.800 2.335 1.984 2.620 0.016 22 0 "[ . 1 . 2 ]" 1
761 1 119 VAL MG1 1 123 PHE QE 4.200 . 4.200 2.162 1.945 2.390 0.055 9 0 "[ . 1 . 2 ]" 1
762 1 123 PHE QE 1 126 ILE MD 5.000 . 5.000 3.400 3.236 3.478 . 0 0 "[ . 1 . 2 ]" 1
763 1 123 PHE QE 1 147 ILE MD 4.200 . 4.200 2.173 1.887 2.494 0.113 9 0 "[ . 1 . 2 ]" 1
764 1 27 PHE QE 1 30 LEU MD1 5.900 . 5.900 3.906 3.032 4.321 . 0 0 "[ . 1 . 2 ]" 1
765 1 21 MET ME 1 76 TRP HD1 4.300 . 4.300 3.393 3.132 3.602 . 0 0 "[ . 1 . 2 ]" 1
766 1 22 ARG HA 1 76 TRP HZ3 2.500 . 2.500 2.302 2.010 2.529 0.029 6 0 "[ . 1 . 2 ]" 1
767 1 23 LYS HD2 1 76 TRP HZ3 4.200 . 4.200 3.196 2.295 4.277 0.077 5 0 "[ . 1 . 2 ]" 1
768 1 23 LYS HD3 1 76 TRP HZ3 4.200 . 4.200 2.739 1.978 4.234 0.034 23 0 "[ . 1 . 2 ]" 1
769 1 23 LYS QE 1 76 TRP HZ3 4.700 . 4.700 3.894 2.158 4.429 . 0 0 "[ . 1 . 2 ]" 1
770 1 24 ILE MG 1 76 TRP HZ3 7.500 . 7.500 5.714 5.452 6.027 . 0 0 "[ . 1 . 2 ]" 1
771 1 67 PHE HA 1 76 TRP HD1 4.500 . 4.500 4.042 3.860 4.263 . 0 0 "[ . 1 . 2 ]" 1
772 1 72 SER HA 1 76 TRP HD1 3.500 . 3.500 3.439 3.242 3.536 0.036 18 0 "[ . 1 . 2 ]" 1
773 1 73 SER HA 1 76 TRP HD1 4.200 . 4.200 4.232 4.201 4.254 0.054 13 0 "[ . 1 . 2 ]" 1
774 1 75 ALA MB 1 76 TRP HD1 4.000 . 4.000 3.040 2.949 3.238 . 0 0 "[ . 1 . 2 ]" 1
775 1 76 TRP HD1 1 81 LEU HG 4.200 . 4.200 3.853 3.709 3.948 . 0 0 "[ . 1 . 2 ]" 1
776 1 76 TRP HD1 1 81 LEU MD1 4.200 . 4.200 2.203 2.002 2.541 . 0 0 "[ . 1 . 2 ]" 1
777 1 76 TRP HD1 1 81 LEU MD2 4.000 . 4.000 3.006 2.949 3.067 . 0 0 "[ . 1 . 2 ]" 1
778 1 11 SER QB 1 151 PHE HZ 5.500 . 5.500 3.301 3.010 4.133 . 0 0 "[ . 1 . 2 ]" 1
779 1 11 SER HA 1 151 PHE HZ 3.000 . 3.000 2.697 2.254 3.007 0.007 24 0 "[ . 1 . 2 ]" 1
780 1 14 THR HB 1 151 PHE HZ 3.550 . 3.550 3.465 3.140 3.590 0.040 1 0 "[ . 1 . 2 ]" 1
781 1 14 THR MG 1 151 PHE HZ 4.250 . 4.250 3.329 3.194 3.485 . 0 0 "[ . 1 . 2 ]" 1
782 1 56 LEU MD1 1 151 PHE HZ 6.500 . 6.500 5.257 5.199 5.328 . 0 0 "[ . 1 . 2 ]" 1
783 1 56 LEU MD2 1 151 PHE HZ 7.000 . 7.000 5.411 4.966 5.718 . 0 0 "[ . 1 . 2 ]" 1
784 1 60 ILE MG 1 151 PHE HZ 5.800 . 5.800 4.566 4.311 4.751 . 0 0 "[ . 1 . 2 ]" 1
785 1 60 ILE MD 1 151 PHE HZ 4.000 . 4.000 2.296 2.023 2.566 . 0 0 "[ . 1 . 2 ]" 1
786 1 88 LEU MD2 1 151 PHE HZ 6.000 . 6.000 4.428 4.089 4.607 . 0 0 "[ . 1 . 2 ]" 1
787 1 151 PHE HZ 1 155 THR HB 5.500 . 5.500 5.505 5.032 5.598 0.098 13 0 "[ . 1 . 2 ]" 1
788 1 151 PHE HZ 1 155 THR MG 4.500 . 4.500 3.060 2.772 3.232 . 0 0 "[ . 1 . 2 ]" 1
789 1 42 GLU HA 1 47 PHE QE 4.500 . 4.500 2.672 2.176 4.051 . 0 0 "[ . 1 . 2 ]" 1
790 1 47 PHE QE 1 52 THR HA 6.500 . 6.500 4.012 3.037 5.161 . 0 0 "[ . 1 . 2 ]" 1
791 1 47 PHE QE 1 111 MET ME 7.000 . 7.000 2.938 1.921 4.305 0.079 14 0 "[ . 1 . 2 ]" 1
792 1 25 SER HB2 1 27 PHE QD 6.500 . 6.500 4.404 3.673 4.895 . 0 0 "[ . 1 . 2 ]" 1
793 1 26 LEU HB2 1 27 PHE QD 6.500 . 6.500 5.151 4.983 5.322 . 0 0 "[ . 1 . 2 ]" 1
794 1 26 LEU HB3 1 27 PHE QD 6.500 . 6.500 3.705 3.422 3.895 . 0 0 "[ . 1 . 2 ]" 1
795 1 27 PHE QD 1 28 SER HA 7.000 . 7.000 5.907 5.884 5.928 . 0 0 "[ . 1 . 2 ]" 1
796 1 27 PHE QD 1 30 LEU MD1 5.200 . 5.200 2.423 1.904 3.313 0.096 18 0 "[ . 1 . 2 ]" 1
797 1 26 LEU MD2 1 27 PHE QD 6.500 . 6.500 4.839 4.600 4.948 . 0 0 "[ . 1 . 2 ]" 1
798 1 27 PHE QD 1 30 LEU MD2 5.500 . 5.500 2.990 1.896 3.653 0.104 9 0 "[ . 1 . 2 ]" 1
799 1 11 SER HA 1 151 PHE QE 4.500 . 4.500 1.987 1.754 2.356 0.246 13 0 "[ . 1 . 2 ]" 1
800 1 11 SER QB 1 151 PHE QE 6.500 . 6.500 2.210 1.717 3.272 0.283 8 0 "[ . 1 . 2 ]" 1
801 1 14 THR HB 1 151 PHE QE 4.750 . 4.750 2.553 1.738 3.374 0.262 24 0 "[ . 1 . 2 ]" 1
802 1 14 THR MG 1 151 PHE QE 4.700 . 4.700 3.031 2.465 3.331 . 0 0 "[ . 1 . 2 ]" 1
803 1 15 LEU HG 1 151 PHE QE 4.500 . 4.500 2.977 2.607 3.564 . 0 0 "[ . 1 . 2 ]" 1
804 1 15 LEU MD1 1 151 PHE QE 6.000 . 6.000 3.413 2.969 3.840 . 0 0 "[ . 1 . 2 ]" 1
805 1 59 MET ME 1 151 PHE QE 7.000 . 7.000 4.872 4.601 5.244 . 0 0 "[ . 1 . 2 ]" 1
806 1 60 ILE HG12 1 151 PHE QE 5.000 . 5.000 2.542 1.662 4.365 0.338 20 0 "[ . 1 . 2 ]" 1
807 1 60 ILE MG 1 151 PHE QE 6.500 . 6.500 3.778 3.016 4.611 . 0 0 "[ . 1 . 2 ]" 1
808 1 60 ILE MD 1 151 PHE QE 4.200 . 4.200 1.941 1.666 2.220 0.334 23 0 "[ . 1 . 2 ]" 1
809 1 63 ILE MD 1 151 PHE QE 5.500 . 5.500 3.355 2.691 3.964 . 0 0 "[ . 1 . 2 ]" 1
810 1 88 LEU MD2 1 151 PHE QE 5.500 . 5.500 3.713 2.994 4.357 . 0 0 "[ . 1 . 2 ]" 1
811 1 151 PHE QE 1 155 THR MG 4.700 . 4.700 2.528 2.073 2.958 . 0 0 "[ . 1 . 2 ]" 1
812 1 45 ASN HA 1 47 PHE QD 6.500 . 6.500 4.668 4.186 4.988 . 0 0 "[ . 1 . 2 ]" 1
813 1 47 PHE QD 1 111 MET ME 6.500 . 6.500 4.062 2.333 5.082 . 0 0 "[ . 1 . 2 ]" 1
814 1 46 GLN QB 1 47 PHE QD 7.000 . 7.000 3.497 2.656 4.577 . 0 0 "[ . 1 . 2 ]" 1
815 1 42 GLU HA 1 47 PHE QD 5.500 . 5.500 3.850 3.179 4.938 . 0 0 "[ . 1 . 2 ]" 1
816 1 47 PHE QD 1 48 GLN HA 7.500 . 7.500 5.980 5.727 6.187 . 0 0 "[ . 1 . 2 ]" 1
817 1 47 PHE QD 1 55 VAL MG1 7.000 . 7.000 4.920 3.710 5.403 . 0 0 "[ . 1 . 2 ]" 1
818 1 47 PHE QD 1 55 VAL MG2 7.000 . 7.000 3.373 2.942 4.024 . 0 0 "[ . 1 . 2 ]" 1
819 1 47 PHE QD 1 157 LEU MD1 6.700 . 6.700 4.216 3.306 5.019 . 0 0 "[ . 1 . 2 ]" 1
820 1 22 ARG HA 1 76 TRP HH2 3.500 . 3.500 3.539 3.399 3.649 0.149 19 0 "[ . 1 . 2 ]" 1
821 1 76 TRP HH2 1 141 GLU HA 2.200 . 2.200 2.076 1.926 2.282 0.082 18 0 "[ . 1 . 2 ]" 1
822 1 76 TRP HH2 1 144 ARG HB3 4.000 . 4.000 3.185 2.252 3.857 . 0 0 "[ . 1 . 2 ]" 1
823 1 76 TRP HH2 1 144 ARG HB2 3.500 . 3.500 2.452 1.974 3.167 0.026 15 0 "[ . 1 . 2 ]" 1
824 1 40 GLN HA 1 43 PHE QD 4.250 . 4.250 2.577 2.173 3.067 . 0 0 "[ . 1 . 2 ]" 1
825 1 40 GLN QB 1 43 PHE QD 6.000 . 6.000 4.512 4.198 4.806 . 0 0 "[ . 1 . 2 ]" 1
826 1 43 PHE QD 1 52 THR HB 5.700 . 5.700 3.814 2.925 4.754 . 0 0 "[ . 1 . 2 ]" 1
827 1 43 PHE HZ 1 55 VAL MG1 4.000 . 4.000 1.667 1.587 1.738 0.413 1 0 "[ . 1 . 2 ]" 1
828 1 43 PHE HZ 1 55 VAL MG2 5.200 . 5.200 4.039 3.864 4.233 . 0 0 "[ . 1 . 2 ]" 1
829 1 43 PHE QD 1 56 LEU MD2 5.500 . 5.500 3.052 2.400 3.421 . 0 0 "[ . 1 . 2 ]" 1
830 1 43 PHE HZ 1 56 LEU HA 5.000 . 5.000 4.342 4.118 4.610 . 0 0 "[ . 1 . 2 ]" 1
831 1 43 PHE HZ 1 59 MET ME 5.800 . 5.800 4.174 3.603 4.614 . 0 0 "[ . 1 . 2 ]" 1
832 1 43 PHE HZ 1 119 VAL MG2 4.000 . 4.000 2.086 1.855 2.499 0.145 17 0 "[ . 1 . 2 ]" 1
833 1 43 PHE QD 1 154 SER HA 6.400 . 6.400 2.421 1.910 2.706 0.090 8 0 "[ . 1 . 2 ]" 1
834 1 43 PHE QD 1 157 LEU MD2 6.500 . 6.500 2.544 1.934 3.323 0.066 11 0 "[ . 1 . 2 ]" 1
835 1 43 PHE HZ 1 119 VAL MG1 6.000 . 6.000 3.933 3.530 4.348 . 0 0 "[ . 1 . 2 ]" 1
836 1 66 LEU HG 1 140 TRP HH2 2.500 . 2.500 2.496 2.240 2.583 0.083 2 0 "[ . 1 . 2 ]" 1
837 1 66 LEU MD1 1 140 TRP HH2 3.500 . 3.500 2.303 2.088 2.505 . 0 0 "[ . 1 . 2 ]" 1
838 1 66 LEU MD2 1 140 TRP HH2 5.000 . 5.000 3.696 3.427 3.847 . 0 0 "[ . 1 . 2 ]" 1
839 1 71 ASP HA 1 140 TRP HZ2 5.000 . 5.000 5.034 4.993 5.075 0.075 21 0 "[ . 1 . 2 ]" 1
840 1 72 SER HA 1 140 TRP HZ2 3.500 . 3.500 3.125 2.985 3.233 . 0 0 "[ . 1 . 2 ]" 1
841 1 35 ASP HA 1 36 PHE QD 6.300 . 6.300 4.067 3.287 4.624 . 0 0 "[ . 1 . 2 ]" 1
842 1 36 PHE QD 1 125 ARG HB3 5.800 . 5.800 2.978 2.153 4.415 . 0 0 "[ . 1 . 2 ]" 1
843 1 36 PHE QD 1 126 ILE HA 5.000 . 5.000 3.381 2.718 3.858 . 0 0 "[ . 1 . 2 ]" 1
844 1 36 PHE QD 1 126 ILE HG12 6.500 . 6.500 2.840 1.820 3.246 0.180 8 0 "[ . 1 . 2 ]" 1
845 1 36 PHE QD 1 126 ILE MG 6.000 . 6.000 4.025 3.576 4.351 . 0 0 "[ . 1 . 2 ]" 1
846 1 36 PHE QD 1 126 ILE MD 6.000 . 6.000 3.615 2.764 4.237 . 0 0 "[ . 1 . 2 ]" 1
847 1 36 PHE QD 1 142 VAL MG1 6.000 . 6.000 3.863 3.265 4.468 . 0 0 "[ . 1 . 2 ]" 1
848 1 40 GLN HA 1 43 PHE QE 5.500 . 5.500 4.656 4.265 4.983 . 0 0 "[ . 1 . 2 ]" 1
849 1 43 PHE QE 1 52 THR HB 6.000 . 6.000 3.853 2.616 4.960 . 0 0 "[ . 1 . 2 ]" 1
850 1 43 PHE QE 1 55 VAL HB 5.000 . 5.000 2.757 2.290 3.259 . 0 0 "[ . 1 . 2 ]" 1
851 1 43 PHE QE 1 55 VAL MG1 4.400 . 4.400 2.532 2.247 2.682 . 0 0 "[ . 1 . 2 ]" 1
852 1 43 PHE QE 1 55 VAL MG2 5.000 . 5.000 3.901 3.653 4.079 . 0 0 "[ . 1 . 2 ]" 1
853 1 43 PHE QE 1 56 LEU HA 4.900 . 4.900 3.716 3.295 4.124 . 0 0 "[ . 1 . 2 ]" 1
854 1 43 PHE QE 1 56 LEU MD2 4.500 . 4.500 1.934 1.766 2.113 0.234 8 0 "[ . 1 . 2 ]" 1
855 1 43 PHE QE 1 59 MET ME 5.800 . 5.800 4.151 3.821 4.472 . 0 0 "[ . 1 . 2 ]" 1
856 1 43 PHE QE 1 118 ALA MB 6.500 . 6.500 3.541 3.356 3.734 . 0 0 "[ . 1 . 2 ]" 1
857 1 43 PHE QE 1 119 VAL MG1 6.500 . 6.500 4.154 3.959 4.290 . 0 0 "[ . 1 . 2 ]" 1
858 1 43 PHE QE 1 119 VAL MG2 4.300 . 4.300 1.896 1.770 2.036 0.230 24 0 "[ . 1 . 2 ]" 1
859 1 43 PHE QE 1 154 SER QB 5.500 . 5.500 2.747 2.187 3.260 . 0 0 "[ . 1 . 2 ]" 1
860 1 64 PHE HZ 1 68 SER HB3 6.000 . 6.000 6.035 6.012 6.066 0.066 15 0 "[ . 1 . 2 ]" 1
861 1 64 PHE HZ 1 68 SER HB2 5.500 . 5.500 4.676 4.549 4.767 . 0 0 "[ . 1 . 2 ]" 1
862 1 60 ILE MG 1 64 PHE QD 6.200 . 6.200 3.570 3.268 3.833 . 0 0 "[ . 1 . 2 ]" 1
863 1 61 GLN HA 1 64 PHE QD 5.800 . 5.800 4.339 4.099 4.542 . 0 0 "[ . 1 . 2 ]" 1
864 1 64 PHE QD 1 65 ASN HA 4.700 . 4.700 3.135 2.885 3.502 . 0 0 "[ . 1 . 2 ]" 1
865 1 64 PHE QD 1 68 SER HB2 6.200 . 6.200 3.159 2.714 3.678 . 0 0 "[ . 1 . 2 ]" 1
866 1 64 PHE QD 1 68 SER HB3 6.500 . 6.500 3.698 3.265 4.224 . 0 0 "[ . 1 . 2 ]" 1
867 1 64 PHE QD 1 85 TYR HA 5.000 . 5.000 3.348 2.852 3.930 . 0 0 "[ . 1 . 2 ]" 1
868 1 64 PHE QD 1 88 LEU HB2 6.000 . 6.000 1.970 1.749 2.159 0.251 19 0 "[ . 1 . 2 ]" 1
869 1 64 PHE QD 1 88 LEU HB3 6.000 . 6.000 1.917 1.773 2.266 0.227 20 0 "[ . 1 . 2 ]" 1
870 1 64 PHE QD 1 88 LEU MD1 4.500 . 4.500 2.323 1.859 2.823 0.141 12 0 "[ . 1 . 2 ]" 1
871 1 64 PHE QD 1 88 LEU MD2 6.200 . 6.200 3.587 3.481 3.736 . 0 0 "[ . 1 . 2 ]" 1
872 1 64 PHE QD 1 92 LEU MD1 5.000 . 5.000 3.069 2.301 3.731 . 0 0 "[ . 1 . 2 ]" 1
873 1 11 SER HA 1 151 PHE QD 5.500 . 5.500 4.257 3.854 4.646 . 0 0 "[ . 1 . 2 ]" 1
874 1 11 SER QB 1 151 PHE QD 5.500 . 5.500 3.609 2.895 4.410 . 0 0 "[ . 1 . 2 ]" 1
875 1 14 THR HB 1 151 PHE QD 5.500 . 5.500 3.812 3.189 4.373 . 0 0 "[ . 1 . 2 ]" 1
876 1 14 THR MG 1 151 PHE QD 5.000 . 5.000 3.556 2.981 3.929 . 0 0 "[ . 1 . 2 ]" 1
877 1 15 LEU HG 1 151 PHE QD 4.000 . 4.000 2.016 1.667 2.763 0.333 14 0 "[ . 1 . 2 ]" 1
878 1 15 LEU MD1 1 151 PHE QD 4.800 . 4.800 2.217 1.924 2.959 0.076 18 0 "[ . 1 . 2 ]" 1
879 1 15 LEU MD2 1 151 PHE QD 4.000 . 4.000 2.170 1.886 2.534 0.114 6 0 "[ . 1 . 2 ]" 1
880 1 18 LEU MD1 1 151 PHE QD 6.300 . 6.300 3.711 2.941 4.061 . 0 0 "[ . 1 . 2 ]" 1
881 1 60 ILE MD 1 151 PHE QD 5.500 . 5.500 3.818 3.255 4.168 . 0 0 "[ . 1 . 2 ]" 1
882 1 63 ILE MD 1 151 PHE QD 4.200 . 4.200 2.269 1.892 2.942 0.108 7 0 "[ . 1 . 2 ]" 1
883 1 147 ILE MG 1 151 PHE QD 6.000 . 6.000 4.067 3.481 4.493 . 0 0 "[ . 1 . 2 ]" 1
884 1 148 MET HA 1 151 PHE QD 6.000 . 6.000 4.507 4.050 4.769 . 0 0 "[ . 1 . 2 ]" 1
885 1 151 PHE QD 1 155 THR MG 5.000 . 5.000 3.004 2.297 3.362 . 0 0 "[ . 1 . 2 ]" 1
886 1 38 PHE QE 1 40 GLN HA 3.800 . 3.800 2.227 1.994 2.468 0.006 23 0 "[ . 1 . 2 ]" 1
887 1 38 PHE QE 1 40 GLN QB 6.000 . 6.000 2.295 1.837 2.760 0.163 9 0 "[ . 1 . 2 ]" 1
888 1 38 PHE QE 1 59 MET ME 3.800 . 3.800 1.953 1.787 2.270 0.213 5 0 "[ . 1 . 2 ]" 1
889 1 38 PHE QE 1 119 VAL MG2 5.500 . 5.500 2.567 2.090 2.862 . 0 0 "[ . 1 . 2 ]" 1
890 1 60 ILE MG 1 64 PHE QE 7.500 . 7.500 5.238 4.948 5.439 . 0 0 "[ . 1 . 2 ]" 1
891 1 64 PHE QE 1 68 SER HB2 5.500 . 5.500 3.290 2.909 3.754 . 0 0 "[ . 1 . 2 ]" 1
892 1 64 PHE QE 1 68 SER HB3 5.500 . 5.500 4.121 3.806 4.554 . 0 0 "[ . 1 . 2 ]" 1
893 1 64 PHE QE 1 85 TYR HA 4.200 . 4.200 2.642 2.090 3.199 . 0 0 "[ . 1 . 2 ]" 1
894 1 64 PHE QE 1 85 TYR QB 5.500 . 5.500 2.488 1.883 3.174 0.117 7 0 "[ . 1 . 2 ]" 1
895 1 64 PHE QE 1 88 LEU MD1 5.500 . 5.500 3.699 3.344 3.958 . 0 0 "[ . 1 . 2 ]" 1
896 1 64 PHE QE 1 88 LEU MD2 7.500 . 7.500 5.248 5.179 5.318 . 0 0 "[ . 1 . 2 ]" 1
897 1 64 PHE QE 1 92 LEU MD1 6.000 . 6.000 4.171 3.658 4.602 . 0 0 "[ . 1 . 2 ]" 1
898 1 38 PHE QE 1 150 SER HA 6.000 . 6.000 3.700 3.497 3.830 . 0 0 "[ . 1 . 2 ]" 1
899 1 38 PHE QE 1 153 LEU HB2 5.000 . 5.000 2.587 2.297 2.980 . 0 0 "[ . 1 . 2 ]" 1
900 1 38 PHE QE 1 153 LEU HB3 5.000 . 5.000 2.114 1.939 2.456 0.061 19 0 "[ . 1 . 2 ]" 1
901 1 38 PHE QE 1 153 LEU MD1 4.800 . 4.800 3.020 2.871 3.270 . 0 0 "[ . 1 . 2 ]" 1
902 1 38 PHE HE2 1 153 LEU MD2 6.000 . 6.000 3.809 3.613 4.030 . 0 0 "[ . 1 . 2 ]" 1
903 1 38 PHE QE 1 154 SER HB3 6.000 . 6.000 4.772 3.394 5.109 . 0 0 "[ . 1 . 2 ]" 1
904 1 18 LEU MD1 1 67 PHE QE 6.000 . 6.000 4.285 3.970 4.431 . 0 0 "[ . 1 . 2 ]" 1
905 1 18 LEU MD2 1 67 PHE QE 5.000 . 5.000 2.296 1.788 2.710 0.212 22 0 "[ . 1 . 2 ]" 1
906 1 21 MET ME 1 67 PHE QE 4.250 . 4.250 1.924 1.771 2.265 0.229 20 0 "[ . 1 . 2 ]" 1
907 1 63 ILE HA 1 67 PHE QE 6.000 . 6.000 3.340 3.166 3.505 . 0 0 "[ . 1 . 2 ]" 1
908 1 63 ILE MG 1 67 PHE QE 4.400 . 4.400 2.254 1.834 2.613 0.166 17 0 "[ . 1 . 2 ]" 1
909 1 66 LEU MD2 1 67 PHE QE 4.600 . 4.600 2.054 1.856 2.621 0.144 13 0 "[ . 1 . 2 ]" 1
910 1 67 PHE QE 1 81 LEU MD2 5.800 . 5.800 3.615 3.442 3.753 . 0 0 "[ . 1 . 2 ]" 1
911 1 67 PHE QE 1 144 ARG HA 5.500 . 5.500 4.067 3.809 4.308 . 0 0 "[ . 1 . 2 ]" 1
912 1 67 PHE QE 1 147 ILE HG13 5.500 . 5.500 2.330 2.121 2.486 . 0 0 "[ . 1 . 2 ]" 1
913 1 67 PHE QE 1 147 ILE MG 4.500 . 4.500 2.333 1.812 2.604 0.188 17 0 "[ . 1 . 2 ]" 1
914 1 67 PHE QE 1 147 ILE MD 4.800 . 4.800 2.305 2.187 2.489 . 0 0 "[ . 1 . 2 ]" 1
915 1 75 ALA HA 1 140 TRP HD1 4.600 . 4.600 4.404 4.254 4.612 0.012 22 0 "[ . 1 . 2 ]" 1
916 1 75 ALA MB 1 140 TRP HD1 3.500 . 3.500 2.713 2.531 2.819 . 0 0 "[ . 1 . 2 ]" 1
917 1 130 LEU MD2 1 140 TRP HD1 4.700 . 4.700 3.868 3.800 3.951 . 0 0 "[ . 1 . 2 ]" 1
918 1 135 TYR HA 1 140 TRP HD1 3.400 . 3.400 3.428 3.374 3.488 0.088 20 0 "[ . 1 . 2 ]" 1
919 1 137 PRO HA 1 140 TRP HD1 3.400 . 3.400 3.359 3.069 3.474 0.074 14 0 "[ . 1 . 2 ]" 1
920 1 139 ALA MB 1 140 TRP HD1 5.700 . 5.700 4.258 3.933 4.471 . 0 0 "[ . 1 . 2 ]" 1
921 1 36 PHE QE 1 126 ILE HA 4.000 . 4.000 2.582 1.711 3.427 0.289 2 0 "[ . 1 . 2 ]" 1
922 1 36 PHE QE 1 126 ILE HG13 6.000 . 6.000 4.492 3.903 4.934 . 0 0 "[ . 1 . 2 ]" 1
923 1 36 PHE QE 1 126 ILE MG 5.800 . 5.800 3.189 2.337 3.592 . 0 0 "[ . 1 . 2 ]" 1
924 1 36 PHE QE 1 126 ILE MD 5.800 . 5.800 4.166 3.093 4.609 . 0 0 "[ . 1 . 2 ]" 1
925 1 36 PHE QE 1 142 VAL MG1 4.500 . 4.500 2.431 1.718 3.470 0.282 4 0 "[ . 1 . 2 ]" 1
926 1 36 PHE QE 1 129 TYR HA 6.000 . 6.000 4.168 3.854 5.159 . 0 0 "[ . 1 . 2 ]" 1
927 1 36 PHE QE 1 129 TYR HB3 5.500 . 5.500 2.664 1.976 3.594 0.024 23 0 "[ . 1 . 2 ]" 1
928 1 36 PHE QE 1 143 VAL MG1 5.500 . 5.500 3.635 2.698 4.309 . 0 0 "[ . 1 . 2 ]" 1
929 1 36 PHE QE 1 143 VAL MG2 5.000 . 5.000 2.495 2.032 3.000 . 0 0 "[ . 1 . 2 ]" 1
930 1 67 PHE HZ 1 88 LEU MD1 7.500 . 7.500 6.120 5.901 6.192 . 0 0 "[ . 1 . 2 ]" 1
931 1 18 LEU MD1 1 67 PHE HZ 5.700 . 5.700 4.035 3.694 4.245 . 0 0 "[ . 1 . 2 ]" 1
932 1 18 LEU MD2 1 67 PHE HZ 4.200 . 4.200 2.576 2.267 2.842 . 0 0 "[ . 1 . 2 ]" 1
933 1 21 MET ME 1 67 PHE HZ 5.500 . 5.500 3.907 3.799 4.065 . 0 0 "[ . 1 . 2 ]" 1
934 1 63 ILE MG 1 67 PHE HZ 6.500 . 6.500 3.541 3.346 3.825 . 0 0 "[ . 1 . 2 ]" 1
935 1 66 LEU MD2 1 67 PHE HZ 5.600 . 5.600 3.774 3.602 3.861 . 0 0 "[ . 1 . 2 ]" 1
936 1 67 PHE HZ 1 143 VAL MG1 5.600 . 5.600 3.780 3.361 4.145 . 0 0 "[ . 1 . 2 ]" 1
937 1 67 PHE HZ 1 144 ARG HA 3.300 . 3.300 3.278 3.052 3.423 0.123 11 0 "[ . 1 . 2 ]" 1
938 1 67 PHE HZ 1 147 ILE MG 5.200 . 5.200 2.398 2.183 2.671 . 0 0 "[ . 1 . 2 ]" 1
939 1 67 PHE HZ 1 147 ILE MD 5.500 . 5.500 3.563 3.488 3.673 . 0 0 "[ . 1 . 2 ]" 1
940 1 14 THR HA 1 84 PHE QD 6.000 . 6.000 3.423 3.030 4.836 . 0 0 "[ . 1 . 2 ]" 1
941 1 14 THR MG 1 84 PHE QD 4.800 . 4.800 3.173 2.817 3.422 . 0 0 "[ . 1 . 2 ]" 1
942 1 17 LEU HB2 1 84 PHE QD 5.500 . 5.500 1.957 1.740 3.494 0.260 22 0 "[ . 1 . 2 ]" 1
943 1 17 LEU HB3 1 84 PHE QD 5.250 . 5.250 2.356 2.164 3.078 . 0 0 "[ . 1 . 2 ]" 1
944 1 17 LEU HG 1 84 PHE QD 7.500 . 7.500 3.903 3.691 5.385 . 0 0 "[ . 1 . 2 ]" 1
945 1 17 LEU MD1 1 84 PHE QD 4.300 . 4.300 2.035 1.581 3.479 0.419 6 0 "[ . 1 . 2 ]" 1
946 1 17 LEU MD2 1 84 PHE QD 7.200 . 7.200 3.836 3.594 4.426 . 0 0 "[ . 1 . 2 ]" 1
947 1 18 LEU HA 1 84 PHE QD 5.200 . 5.200 4.605 3.697 5.035 . 0 0 "[ . 1 . 2 ]" 1
948 1 18 LEU MD1 1 84 PHE QD 6.200 . 6.200 4.600 4.500 4.820 . 0 0 "[ . 1 . 2 ]" 1
949 1 18 LEU MD2 1 84 PHE QD 6.200 . 6.200 3.716 3.518 3.987 . 0 0 "[ . 1 . 2 ]" 1
950 1 21 MET ME 1 84 PHE QD 4.500 . 4.500 3.139 2.126 3.504 . 0 0 "[ . 1 . 2 ]" 1
951 1 63 ILE MG 1 84 PHE QD 6.500 . 6.500 3.855 3.715 4.073 . 0 0 "[ . 1 . 2 ]" 1
952 1 81 LEU HA 1 84 PHE QD 5.250 . 5.250 3.718 3.369 4.013 . 0 0 "[ . 1 . 2 ]" 1
953 1 81 LEU MD1 1 84 PHE QD 7.000 . 7.000 4.650 4.281 5.225 . 0 0 "[ . 1 . 2 ]" 1
954 1 81 LEU MD2 1 84 PHE QD 4.800 . 4.800 2.446 1.942 2.873 0.058 6 0 "[ . 1 . 2 ]" 1
955 1 84 PHE QD 1 88 LEU MD1 6.000 . 6.000 2.421 1.961 2.958 0.039 14 0 "[ . 1 . 2 ]" 1
956 1 84 PHE QD 1 88 LEU MD2 6.200 . 6.200 4.086 3.131 4.286 . 0 0 "[ . 1 . 2 ]" 1
957 1 84 PHE QD 1 85 TYR HA 6.500 . 6.500 4.317 3.763 4.772 . 0 0 "[ . 1 . 2 ]" 1
958 1 38 PHE HZ 1 59 MET ME 4.700 . 4.700 2.830 2.557 3.018 . 0 0 "[ . 1 . 2 ]" 1
959 1 38 PHE HZ 1 150 SER HA 4.500 . 4.500 4.401 4.042 4.544 0.044 22 0 "[ . 1 . 2 ]" 1
960 1 38 PHE HZ 1 153 LEU MD1 6.500 . 6.500 4.590 4.514 4.693 . 0 0 "[ . 1 . 2 ]" 1
961 1 38 PHE HZ 1 154 SER HA 4.500 . 4.500 3.332 3.007 3.767 . 0 0 "[ . 1 . 2 ]" 1
962 1 38 PHE HZ 1 154 SER QB 6.500 . 6.500 3.459 2.346 3.715 . 0 0 "[ . 1 . 2 ]" 1
963 1 38 PHE HZ 1 157 LEU MD2 7.000 . 7.000 5.468 4.884 5.858 . 0 0 "[ . 1 . 2 ]" 1
964 1 14 THR HA 1 84 PHE QE 6.500 . 6.500 3.372 3.015 4.710 . 0 0 "[ . 1 . 2 ]" 1
965 1 14 THR MG 1 84 PHE QE 4.000 . 4.000 1.971 1.581 2.453 0.419 6 0 "[ . 1 . 2 ]" 1
966 1 17 LEU MD1 1 84 PHE QE 6.800 . 6.800 3.646 3.317 4.412 . 0 0 "[ . 1 . 2 ]" 1
967 1 18 LEU HA 1 84 PHE QE 6.500 . 6.500 4.358 2.341 5.022 . 0 0 "[ . 1 . 2 ]" 1
968 1 18 LEU HG 1 84 PHE QE 5.000 . 5.000 2.127 1.722 3.101 0.278 14 0 "[ . 1 . 2 ]" 1
969 1 18 LEU MD1 1 84 PHE QE 4.800 . 4.800 2.806 2.623 3.192 . 0 0 "[ . 1 . 2 ]" 1
970 1 18 LEU MD2 1 84 PHE QE 4.800 . 4.800 2.825 1.995 3.129 0.005 14 0 "[ . 1 . 2 ]" 1
971 1 21 MET ME 1 84 PHE QE 5.500 . 5.500 3.530 2.403 3.938 . 0 0 "[ . 1 . 2 ]" 1
972 1 63 ILE MG 1 84 PHE QE 4.500 . 4.500 2.000 1.805 2.413 0.195 5 0 "[ . 1 . 2 ]" 1
973 1 84 PHE QE 1 88 LEU MD1 5.800 . 5.800 2.324 2.125 2.813 . 0 0 "[ . 1 . 2 ]" 1
974 1 84 PHE QE 1 88 LEU MD2 5.400 . 5.400 3.109 1.931 3.379 0.069 14 0 "[ . 1 . 2 ]" 1
975 1 72 SER HA 1 140 TRP HZ3 5.000 . 5.000 4.889 4.766 5.058 0.058 2 0 "[ . 1 . 2 ]" 1
976 1 72 SER QB 1 140 TRP HZ3 6.000 . 6.000 3.683 3.394 3.859 . 0 0 "[ . 1 . 2 ]" 1
977 1 126 ILE MG 1 140 TRP HZ3 7.000 . 7.000 4.304 4.063 4.585 . 0 0 "[ . 1 . 2 ]" 1
978 1 66 LEU HG 1 140 TRP HZ3 4.000 . 4.000 2.798 2.669 3.006 . 0 0 "[ . 1 . 2 ]" 1
979 1 66 LEU MD1 1 140 TRP HZ3 4.300 . 4.300 3.404 3.207 3.516 . 0 0 "[ . 1 . 2 ]" 1
980 1 66 LEU MD2 1 140 TRP HZ3 4.500 . 4.500 2.865 2.675 3.069 . 0 0 "[ . 1 . 2 ]" 1
981 1 130 LEU MD1 1 140 TRP HZ3 4.600 . 4.600 3.309 3.163 3.517 . 0 0 "[ . 1 . 2 ]" 1
982 1 130 LEU MD2 1 140 TRP HZ3 5.000 . 5.000 3.576 3.454 3.717 . 0 0 "[ . 1 . 2 ]" 1
983 1 140 TRP HA 1 140 TRP HZ3 5.000 . 5.000 4.588 4.531 4.660 . 0 0 "[ . 1 . 2 ]" 1
984 1 140 TRP HZ3 1 143 VAL MG1 4.300 . 4.300 2.848 2.593 3.025 . 0 0 "[ . 1 . 2 ]" 1
985 1 140 TRP HZ3 1 143 VAL MG2 5.500 . 5.500 4.489 4.305 4.545 . 0 0 "[ . 1 . 2 ]" 1
986 1 140 TRP HZ3 1 147 ILE MD 6.500 . 6.500 4.903 4.696 5.072 . 0 0 "[ . 1 . 2 ]" 1
987 1 14 THR MG 1 84 PHE HZ 5.200 . 5.200 2.932 2.724 3.215 . 0 0 "[ . 1 . 2 ]" 1
988 1 18 LEU MD1 1 84 PHE HZ 4.800 . 4.800 2.563 2.207 2.820 . 0 0 "[ . 1 . 2 ]" 1
989 1 18 LEU MD2 1 84 PHE HZ 4.200 . 4.200 2.475 2.197 2.818 . 0 0 "[ . 1 . 2 ]" 1
990 1 21 MET ME 1 84 PHE HZ 6.000 . 6.000 4.378 4.137 4.680 . 0 0 "[ . 1 . 2 ]" 1
991 1 63 ILE MG 1 84 PHE HZ 3.500 . 3.500 2.252 1.872 2.918 0.128 6 0 "[ . 1 . 2 ]" 1
992 1 63 ILE MD 1 84 PHE HZ 7.500 . 7.500 3.388 3.092 3.749 . 0 0 "[ . 1 . 2 ]" 1
993 1 84 PHE HZ 1 88 LEU MD1 5.600 . 5.600 3.514 3.177 4.252 . 0 0 "[ . 1 . 2 ]" 1
994 1 84 PHE HZ 1 88 LEU MD2 5.500 . 5.500 3.014 2.575 4.016 . 0 0 "[ . 1 . 2 ]" 1
995 1 84 PHE HZ 1 147 ILE MG 5.600 . 5.600 3.173 2.997 3.336 . 0 0 "[ . 1 . 2 ]" 1
996 1 38 PHE QD 1 39 PRO HD2 6.000 . 6.000 2.437 2.244 2.626 . 0 0 "[ . 1 . 2 ]" 1
997 1 38 PHE QD 1 39 PRO HD3 6.000 . 6.000 3.460 3.354 3.682 . 0 0 "[ . 1 . 2 ]" 1
998 1 38 PHE QD 1 40 GLN HA 5.600 . 5.600 3.423 3.220 3.651 . 0 0 "[ . 1 . 2 ]" 1
999 1 38 PHE QD 1 40 GLN QB 6.000 . 6.000 1.922 1.776 2.091 0.224 11 0 "[ . 1 . 2 ]" 1
1000 1 38 PHE QD 1 40 GLN QG 7.500 . 7.500 3.736 3.365 4.205 . 0 0 "[ . 1 . 2 ]" 1
1001 1 38 PHE QD 1 59 MET ME 5.800 . 5.800 3.401 3.210 3.618 . 0 0 "[ . 1 . 2 ]" 1
1002 1 38 PHE QD 1 153 LEU MD1 4.900 . 4.900 1.902 1.789 2.056 0.211 24 0 "[ . 1 . 2 ]" 1
1003 1 38 PHE QD 1 153 LEU MD2 6.500 . 6.500 3.721 3.490 3.988 . 0 0 "[ . 1 . 2 ]" 1
1004 1 36 PHE HZ 1 139 ALA MB 7.000 . 7.000 4.710 4.348 4.929 . 0 0 "[ . 1 . 2 ]" 1
1005 1 36 PHE HZ 1 126 ILE HA 5.000 . 5.000 3.493 2.867 3.805 . 0 0 "[ . 1 . 2 ]" 1
1006 1 36 PHE HZ 1 129 TYR HA 5.000 . 5.000 5.060 5.022 5.085 0.085 9 0 "[ . 1 . 2 ]" 1
1007 1 36 PHE HZ 1 142 VAL MG1 4.500 . 4.500 3.409 3.240 3.594 . 0 0 "[ . 1 . 2 ]" 1
1008 1 36 PHE HZ 1 142 VAL MG2 7.000 . 7.000 5.420 5.193 5.517 . 0 0 "[ . 1 . 2 ]" 1
1009 1 36 PHE HZ 1 143 VAL MG2 4.500 . 4.500 2.334 2.215 2.430 . 0 0 "[ . 1 . 2 ]" 1
1010 1 1 CYS HB2 1 98 CYS HA 3.000 . 3.000 2.257 1.934 3.181 0.181 15 0 "[ . 1 . 2 ]" 1
1011 1 1 CYS HB3 1 98 CYS HA 3.500 . 3.500 3.345 1.983 3.617 0.117 10 0 "[ . 1 . 2 ]" 1
1012 1 3 LEU HB2 1 4 PRO HD2 4.000 . 4.000 2.910 2.007 4.670 0.670 3 2 "[ + . 1 - . 2 ]" 1
1013 1 3 LEU HB3 1 4 PRO HD2 4.500 . 4.500 3.990 3.264 4.503 0.003 6 0 "[ . 1 . 2 ]" 1
1014 1 3 LEU QD 1 4 PRO HA 7.500 . 7.500 5.007 3.878 5.448 . 0 0 "[ . 1 . 2 ]" 1
1015 1 7 HIS HA 1 7 HIS HD2 4.000 . 4.000 3.756 2.499 4.107 0.107 7 0 "[ . 1 . 2 ]" 1
1016 1 11 SER HA 1 14 THR MG 4.800 . 4.800 3.979 3.740 4.069 . 0 0 "[ . 1 . 2 ]" 1
1017 1 14 THR HA 1 17 LEU HB2 3.800 . 3.800 3.010 2.807 3.182 . 0 0 "[ . 1 . 2 ]" 1
1018 1 14 THR HA 1 17 LEU HB3 4.500 . 4.500 4.525 4.356 4.596 0.096 22 0 "[ . 1 . 2 ]" 1
1019 1 17 LEU HB3 1 21 MET ME 6.000 . 6.000 4.453 4.090 4.736 . 0 0 "[ . 1 . 2 ]" 1
1020 1 15 LEU HA 1 18 LEU HB2 4.000 . 4.000 2.598 2.425 2.805 . 0 0 "[ . 1 . 2 ]" 1
1021 1 16 MET HA 1 19 ALA MB 4.000 . 4.000 2.554 2.273 2.803 . 0 0 "[ . 1 . 2 ]" 1
1022 1 19 ALA MB 1 20 GLN HG2 5.200 . 5.200 3.974 3.577 4.180 . 0 0 "[ . 1 . 2 ]" 1
1023 1 19 ALA MB 1 148 MET ME 4.200 . 4.200 2.198 1.925 2.513 0.075 15 0 "[ . 1 . 2 ]" 1
1024 1 18 LEU HA 1 21 MET HB2 5.000 . 5.000 2.978 2.133 4.866 . 0 0 "[ . 1 . 2 ]" 1
1025 1 18 LEU HA 1 21 MET HB3 5.000 . 5.000 4.007 2.319 4.705 . 0 0 "[ . 1 . 2 ]" 1
1026 1 22 ARG HD2 1 25 SER HA 4.000 . 4.000 3.581 2.367 4.517 0.517 23 2 "[ . 1 - . 2 + ]" 1
1027 1 22 ARG HD3 1 25 SER HA 4.500 . 4.500 3.438 2.371 4.527 0.027 3 0 "[ . 1 . 2 ]" 1
1028 1 23 LYS HD2 1 76 TRP HA 4.000 . 4.000 3.427 2.185 4.506 0.506 4 1 "[ +. 1 . 2 ]" 1
1029 1 23 LYS HD3 1 76 TRP HA 4.500 . 4.500 3.238 2.000 4.055 . 0 0 "[ . 1 . 2 ]" 1
1030 1 23 LYS QE 1 76 TRP HA 5.000 . 5.000 2.821 1.732 4.363 0.268 3 0 "[ . 1 . 2 ]" 1
1031 1 24 ILE HA 1 24 ILE QG 5.000 . 5.000 3.274 3.263 3.297 . 0 0 "[ . 1 . 2 ]" 1
1032 1 24 ILE QG 1 28 SER QB 6.000 . 6.000 4.547 4.268 4.812 . 0 0 "[ . 1 . 2 ]" 1
1033 1 24 ILE MD 1 28 SER QB 5.600 . 5.600 3.855 3.648 4.005 . 0 0 "[ . 1 . 2 ]" 1
1034 1 25 SER HB2 1 27 PHE HB2 4.500 . 4.500 3.575 3.243 3.897 . 0 0 "[ . 1 . 2 ]" 1
1035 1 25 SER HB3 1 27 PHE HB2 4.000 . 4.000 3.283 3.077 4.507 0.507 8 1 "[ . + 1 . 2 ]" 1
1036 1 26 LEU HA 1 29 CYS HB3 4.250 . 4.250 4.228 4.002 4.330 0.080 18 0 "[ . 1 . 2 ]" 1
1037 1 27 PHE HA 1 30 LEU HG 3.500 . 3.500 2.556 1.943 3.851 0.351 18 0 "[ . 1 . 2 ]" 1
1038 1 27 PHE HA 1 30 LEU MD1 5.000 . 5.000 1.952 1.559 2.216 0.441 16 0 "[ . 1 . 2 ]" 1
1039 1 32 ASP HB3 1 142 VAL MG2 5.000 . 5.000 2.996 1.718 4.134 0.282 4 0 "[ . 1 . 2 ]" 1
1040 1 38 PHE HA 1 39 PRO HD2 2.500 . 2.500 2.435 2.306 2.579 0.079 22 0 "[ . 1 . 2 ]" 1
1041 1 39 PRO HD2 1 119 VAL HA 3.200 . 3.200 3.259 3.197 3.306 0.106 6 0 "[ . 1 . 2 ]" 1
1042 1 39 PRO HD3 1 119 VAL HA 3.500 . 3.500 3.566 3.531 3.635 0.135 22 0 "[ . 1 . 2 ]" 1
1043 1 43 PHE HB3 1 154 SER HA 4.000 . 4.000 2.922 2.349 3.409 . 0 0 "[ . 1 . 2 ]" 1
1044 1 43 PHE HB3 1 153 LEU HB3 4.500 . 4.500 4.438 4.042 4.822 0.322 12 0 "[ . 1 . 2 ]" 1
1045 1 50 ALA HA 1 53 ILE HG12 3.500 . 3.500 3.363 2.980 3.526 0.026 15 0 "[ . 1 . 2 ]" 1
1046 1 50 ALA HA 1 53 ILE HG13 4.300 . 4.300 2.175 1.962 2.657 0.038 20 0 "[ . 1 . 2 ]" 1
1047 1 52 THR HA 1 55 VAL HB 4.000 . 4.000 3.184 2.620 4.031 0.031 9 0 "[ . 1 . 2 ]" 1
1048 1 53 ILE HA 1 54 PRO QD 4.000 . 4.000 3.546 3.536 3.561 . 0 0 "[ . 1 . 2 ]" 1
1049 1 53 ILE HB 1 54 PRO QD 3.400 . 3.400 2.086 1.934 2.285 0.066 15 0 "[ . 1 . 2 ]" 1
1050 1 53 ILE MG 1 57 HIS HD2 6.000 . 6.000 4.549 4.331 4.759 . 0 0 "[ . 1 . 2 ]" 1
1051 1 56 LEU HA 1 59 MET HB3 3.500 . 3.500 2.305 1.992 2.601 0.008 4 0 "[ . 1 . 2 ]" 1
1052 1 54 PRO HA 1 57 HIS HB3 3.000 . 3.000 2.785 2.543 3.026 0.026 24 0 "[ . 1 . 2 ]" 1
1053 1 54 PRO HA 1 57 HIS HB2 3.500 . 3.500 3.026 2.681 3.367 . 0 0 "[ . 1 . 2 ]" 1
1054 1 57 HIS HD2 1 92 LEU HA 3.500 . 3.500 2.990 2.656 3.483 . 0 0 "[ . 1 . 2 ]" 1
1055 1 60 ILE HA 1 88 LEU MD2 5.500 . 5.500 2.866 2.521 3.150 . 0 0 "[ . 1 . 2 ]" 1
1056 1 57 HIS HA 1 60 ILE HB 3.300 . 3.300 3.123 2.847 3.312 0.012 5 0 "[ . 1 . 2 ]" 1
1057 1 60 ILE HG13 1 88 LEU MD2 5.500 . 5.500 4.306 3.678 4.661 . 0 0 "[ . 1 . 2 ]" 1
1058 1 60 ILE HG13 1 151 PHE QE 5.500 . 5.500 3.167 1.861 4.231 0.139 9 0 "[ . 1 . 2 ]" 1
1059 1 60 ILE HG12 1 92 LEU MD2 6.000 . 6.000 4.568 3.509 5.300 . 0 0 "[ . 1 . 2 ]" 1
1060 1 61 GLN HA 1 64 PHE HB3 3.200 . 3.200 2.655 2.416 2.831 . 0 0 "[ . 1 . 2 ]" 1
1061 1 61 GLN HA 1 64 PHE HB2 3.500 . 3.500 2.795 2.563 3.174 . 0 0 "[ . 1 . 2 ]" 1
1062 1 60 ILE HA 1 63 ILE HB 3.500 . 3.500 2.577 2.287 2.885 . 0 0 "[ . 1 . 2 ]" 1
1063 1 63 ILE HB 1 88 LEU MD1 5.500 . 5.500 3.424 3.280 3.645 . 0 0 "[ . 1 . 2 ]" 1
1064 1 63 ILE HB 1 88 LEU MD2 5.500 . 5.500 2.566 2.390 2.757 . 0 0 "[ . 1 . 2 ]" 1
1065 1 60 ILE HA 1 63 ILE MG 5.500 . 5.500 4.058 3.825 4.334 . 0 0 "[ . 1 . 2 ]" 1
1066 1 60 ILE HA 1 63 ILE MD 4.500 . 4.500 2.884 2.510 3.364 . 0 0 "[ . 1 . 2 ]" 1
1067 1 64 PHE HA 1 85 TYR QE 7.000 . 7.000 4.268 3.799 4.738 . 0 0 "[ . 1 . 2 ]" 1
1068 1 64 PHE HA 1 88 LEU HB2 4.000 . 4.000 4.001 3.709 4.102 0.102 24 0 "[ . 1 . 2 ]" 1
1069 1 64 PHE HA 1 88 LEU HG 5.000 . 5.000 4.748 4.649 4.843 . 0 0 "[ . 1 . 2 ]" 1
1070 1 64 PHE HA 1 88 LEU MD1 3.000 . 3.000 1.821 1.654 1.972 0.346 14 0 "[ . 1 . 2 ]" 1
1071 1 64 PHE HA 1 88 LEU MD2 6.000 . 6.000 3.540 3.366 3.726 . 0 0 "[ . 1 . 2 ]" 1
1072 1 63 ILE HA 1 66 LEU HB3 3.500 . 3.500 2.174 2.038 2.291 . 0 0 "[ . 1 . 2 ]" 1
1073 1 67 PHE HA 1 72 SER HA 5.000 . 5.000 4.561 4.437 4.783 . 0 0 "[ . 1 . 2 ]" 1
1074 1 67 PHE HA 1 140 TRP HH2 4.000 . 4.000 3.872 3.660 4.037 0.037 14 0 "[ . 1 . 2 ]" 1
1075 1 67 PHE HB3 1 81 LEU MD2 5.000 . 5.000 2.111 1.966 2.227 0.034 4 0 "[ . 1 . 2 ]" 1
1076 1 68 SER HA 1 85 TYR QE 4.500 . 4.500 2.552 2.314 2.869 . 0 0 "[ . 1 . 2 ]" 1
1077 1 68 SER HA 1 85 TYR QD 6.000 . 6.000 4.292 3.963 4.588 . 0 0 "[ . 1 . 2 ]" 1
1078 1 65 ASN HA 1 68 SER HB2 3.000 . 3.000 3.052 3.030 3.068 0.068 11 0 "[ . 1 . 2 ]" 1
1079 1 68 SER HB2 1 85 TYR QE 6.000 . 6.000 3.198 2.892 3.619 . 0 0 "[ . 1 . 2 ]" 1
1080 1 65 ASN HA 1 68 SER HB3 3.500 . 3.500 2.177 2.105 2.345 . 0 0 "[ . 1 . 2 ]" 1
1081 1 68 SER HB3 1 85 TYR QE 6.000 . 6.000 4.481 4.267 4.839 . 0 0 "[ . 1 . 2 ]" 1
1082 1 69 THR HB 1 71 ASP QB 5.000 . 5.000 3.454 3.113 4.201 . 0 0 "[ . 1 . 2 ]" 1
1083 1 69 THR HB 1 72 SER QB 5.000 . 5.000 4.210 3.999 4.412 . 0 0 "[ . 1 . 2 ]" 1
1084 1 72 SER HA 1 75 ALA MB 4.000 . 4.000 2.043 1.911 2.303 0.089 9 0 "[ . 1 . 2 ]" 1
1085 1 67 PHE HA 1 72 SER QB 3.500 . 3.500 2.155 1.985 2.305 0.015 7 0 "[ . 1 . 2 ]" 1
1086 1 72 SER QB 1 76 TRP HD1 6.000 . 6.000 3.396 2.696 3.782 . 0 0 "[ . 1 . 2 ]" 1
1087 1 72 SER QB 1 140 TRP HH2 3.500 . 3.500 2.249 2.096 3.090 . 0 0 "[ . 1 . 2 ]" 1
1088 1 76 TRP HB2 1 81 LEU HG 3.000 . 3.000 2.086 1.976 2.166 0.024 22 0 "[ . 1 . 2 ]" 1
1089 1 76 TRP HB2 1 81 LEU MD1 4.800 . 4.800 1.912 1.763 2.086 0.237 4 0 "[ . 1 . 2 ]" 1
1090 1 76 TRP HB2 1 81 LEU MD2 5.000 . 5.000 3.112 3.008 3.202 . 0 0 "[ . 1 . 2 ]" 1
1091 1 76 TRP HB3 1 81 LEU HG 3.500 . 3.500 2.752 2.651 2.840 . 0 0 "[ . 1 . 2 ]" 1
1092 1 76 TRP HB3 1 81 LEU MD1 4.800 . 4.800 3.366 3.231 3.491 . 0 0 "[ . 1 . 2 ]" 1
1093 1 77 ASP HB2 1 80 LEU HG 3.600 . 3.600 2.522 2.367 2.770 . 0 0 "[ . 1 . 2 ]" 1
1094 1 77 ASP HB2 1 80 LEU HB2 3.600 . 3.600 2.037 1.972 2.309 0.028 15 0 "[ . 1 . 2 ]" 1
1095 1 77 ASP HB3 1 80 LEU HB2 3.600 . 3.600 3.435 2.986 3.600 . 5 0 "[ . 1 . 2 ]" 1
1096 1 77 ASP HB3 1 80 LEU HG 3.500 . 3.500 3.018 2.660 3.403 . 0 0 "[ . 1 . 2 ]" 1
1097 1 79 THR HA 1 82 ASP QB 3.500 . 3.500 2.213 1.987 2.300 0.013 3 0 "[ . 1 . 2 ]" 1
1098 1 81 LEU HA 1 84 PHE HB2 3.000 . 3.000 2.493 2.127 2.630 . 0 0 "[ . 1 . 2 ]" 1
1099 1 81 LEU HA 1 84 PHE HB3 3.000 . 3.000 2.244 2.081 2.679 . 0 0 "[ . 1 . 2 ]" 1
1100 1 82 ASP HA 1 85 TYR QB 4.500 . 4.500 3.159 2.969 3.340 . 0 0 "[ . 1 . 2 ]" 1
1101 1 82 ASP HA 1 85 TYR QD 4.200 . 4.200 1.918 1.810 2.107 0.190 23 0 "[ . 1 . 2 ]" 1
1102 1 82 ASP HA 1 85 TYR QE 6.000 . 6.000 3.228 3.023 3.462 . 0 0 "[ . 1 . 2 ]" 1
1103 1 21 MET ME 1 84 PHE HB2 5.200 . 5.200 3.555 3.379 3.708 . 0 0 "[ . 1 . 2 ]" 1
1104 1 21 MET ME 1 84 PHE HB3 5.600 . 5.600 3.834 3.664 4.137 . 0 0 "[ . 1 . 2 ]" 1
1105 1 81 LEU MD2 1 84 PHE HB2 4.500 . 4.500 2.917 2.578 3.033 . 0 0 "[ . 1 . 2 ]" 1
1106 1 85 TYR HA 1 88 LEU MD1 4.500 . 4.500 2.554 2.222 2.789 . 0 0 "[ . 1 . 2 ]" 1
1107 1 83 LYS HA 1 86 THR HB 3.000 . 3.000 2.771 2.610 2.965 . 0 0 "[ . 1 . 2 ]" 1
1108 1 89 TYR HA 1 92 LEU HB3 3.200 . 3.200 3.426 3.250 4.025 0.825 6 2 "[ .+ 1 -. 2 ]" 1
1109 1 89 TYR QE 1 92 LEU MD1 6.000 . 6.000 3.871 3.293 4.299 . 0 0 "[ . 1 . 2 ]" 1
1110 1 90 GLN HA 1 93 ASN QB 4.000 . 4.000 2.883 2.624 3.093 . 0 0 "[ . 1 . 2 ]" 1
1111 1 57 HIS HD2 1 95 LEU HB2 3.200 . 3.200 2.181 1.988 2.481 0.012 6 0 "[ . 1 . 2 ]" 1
1112 1 57 HIS HD2 1 95 LEU HB3 3.000 . 3.000 2.808 2.514 3.008 0.008 18 0 "[ . 1 . 2 ]" 1
1113 1 92 LEU HA 1 95 LEU HB3 4.000 . 4.000 4.057 4.011 4.095 0.095 16 0 "[ . 1 . 2 ]" 1
1114 1 57 HIS HD2 1 96 GLU HA 4.500 . 4.500 3.320 2.913 3.566 . 0 0 "[ . 1 . 2 ]" 1
1115 1 97 ALA HA 1 100 ILE HB 3.000 . 3.000 2.878 2.578 3.044 0.044 6 0 "[ . 1 . 2 ]" 1
1116 1 94 ASP HA 1 97 ALA MB 3.500 . 3.500 2.629 2.273 2.804 . 0 0 "[ . 1 . 2 ]" 1
1117 1 96 GLU HA 1 99 VAL MG1 4.700 . 4.700 3.925 3.789 3.981 . 0 0 "[ . 1 . 2 ]" 1
1118 1 99 VAL HA 1 99 VAL MG1 3.300 . 3.300 2.316 2.240 2.418 . 0 0 "[ . 1 . 2 ]" 1
1119 1 57 HIS HB2 1 99 VAL MG2 4.500 . 4.500 3.579 3.237 3.795 . 0 0 "[ . 1 . 2 ]" 1
1120 1 96 GLU HA 1 99 VAL MG2 3.500 . 3.500 2.475 1.995 2.708 0.005 16 0 "[ . 1 . 2 ]" 1
1121 1 99 VAL HA 1 99 VAL MG2 3.200 . 3.200 2.371 2.230 2.436 . 0 0 "[ . 1 . 2 ]" 1
1122 1 98 CYS HA 1 103 VAL HB 4.200 . 4.200 3.502 2.414 4.289 0.089 9 0 "[ . 1 . 2 ]" 1
1123 1 98 CYS HB3 1 103 VAL HB 5.000 . 5.000 3.544 2.186 4.871 . 0 0 "[ . 1 . 2 ]" 1
1124 1 54 PRO HB2 1 105 VAL MG1 6.000 . 6.000 4.238 2.254 5.072 . 0 0 "[ . 1 . 2 ]" 1
1125 1 54 PRO HB3 1 105 VAL MG1 6.000 . 6.000 3.446 1.945 4.899 0.055 8 0 "[ . 1 . 2 ]" 1
1126 1 54 PRO HD2 1 105 VAL MG1 6.000 . 6.000 3.909 2.327 5.239 . 0 0 "[ . 1 . 2 ]" 1
1127 1 54 PRO HD3 1 105 VAL MG1 6.400 . 6.400 3.117 2.200 4.643 . 0 0 "[ . 1 . 2 ]" 1
1128 1 115 SER HA 1 118 ALA MB 3.600 . 3.600 2.800 2.590 2.919 . 0 0 "[ . 1 . 2 ]" 1
1129 1 43 PHE HA 1 115 SER QB 5.600 . 5.600 4.946 4.588 5.126 . 0 0 "[ . 1 . 2 ]" 1
1130 1 55 VAL HB 1 115 SER QB 5.200 . 5.200 3.770 3.251 4.196 . 0 0 "[ . 1 . 2 ]" 1
1131 1 55 VAL MG1 1 115 SER QB 5.200 . 5.200 2.247 1.691 2.823 0.309 1 0 "[ . 1 . 2 ]" 1
1132 1 55 VAL MG2 1 115 SER QB 4.500 . 4.500 1.777 1.591 2.065 0.409 4 0 "[ . 1 . 2 ]" 1
1133 1 55 VAL MG1 1 116 ILE HA 4.500 . 4.500 2.252 1.958 2.539 0.042 20 0 "[ . 1 . 2 ]" 1
1134 1 113 GLU HA 1 116 ILE HB 3.000 . 3.000 2.831 2.255 3.063 0.063 20 0 "[ . 1 . 2 ]" 1
1135 1 113 GLU QG 1 116 ILE HB 5.000 . 5.000 3.439 2.434 4.367 . 0 0 "[ . 1 . 2 ]" 1
1136 1 113 GLU HA 1 116 ILE HG13 4.000 . 4.000 3.314 2.697 3.803 . 0 0 "[ . 1 . 2 ]" 1
1137 1 114 ASP HA 1 117 LEU HB2 3.000 . 3.000 2.294 1.911 3.133 0.133 14 0 "[ . 1 . 2 ]" 1
1138 1 114 ASP HA 1 117 LEU HB3 3.400 . 3.400 3.097 2.427 3.520 0.120 19 0 "[ . 1 . 2 ]" 1
1139 1 116 ILE HA 1 119 VAL HB 3.000 . 3.000 2.722 2.602 2.820 . 0 0 "[ . 1 . 2 ]" 1
1140 1 55 VAL MG1 1 119 VAL MG2 3.600 . 3.600 2.348 2.211 2.475 . 0 0 "[ . 1 . 2 ]" 1
1141 1 55 VAL MG2 1 119 VAL MG2 6.800 . 6.800 4.389 4.185 4.509 . 0 0 "[ . 1 . 2 ]" 1
1142 1 36 PHE HB3 1 122 TYR HA 4.500 . 4.500 4.149 3.727 4.516 0.016 13 0 "[ . 1 . 2 ]" 1
1143 1 122 TYR HA 1 125 ARG HB2 4.000 . 4.000 3.814 3.402 4.013 0.013 10 0 "[ . 1 . 2 ]" 1
1144 1 122 TYR HA 1 125 ARG HB3 4.000 . 4.000 3.498 3.133 3.883 . 0 0 "[ . 1 . 2 ]" 1
1145 1 119 VAL HA 1 122 TYR HB3 3.500 . 3.500 2.390 2.157 3.629 0.129 13 0 "[ . 1 . 2 ]" 1
1146 1 119 VAL HA 1 122 TYR HB2 3.700 . 3.700 3.107 2.458 3.629 . 0 0 "[ . 1 . 2 ]" 1
1147 1 123 PHE HA 1 126 ILE HB 2.500 . 2.500 2.434 2.333 2.530 0.030 13 0 "[ . 1 . 2 ]" 1
1148 1 121 LYS HA 1 124 GLN HB2 3.200 . 3.200 2.495 2.370 2.652 . 0 0 "[ . 1 . 2 ]" 1
1149 1 121 LYS HA 1 124 GLN HB3 3.200 . 3.200 2.693 2.558 2.867 . 0 0 "[ . 1 . 2 ]" 1
1150 1 126 ILE HA 1 129 TYR HB3 4.000 . 4.000 2.980 2.435 3.865 . 0 0 "[ . 1 . 2 ]" 1
1151 1 126 ILE HA 1 143 VAL MG1 6.000 . 6.000 4.218 4.103 4.436 . 0 0 "[ . 1 . 2 ]" 1
1152 1 123 PHE QD 1 126 ILE HB 6.500 . 6.500 3.889 3.525 4.211 . 0 0 "[ . 1 . 2 ]" 1
1153 1 123 PHE QE 1 126 ILE HB 6.500 . 6.500 5.272 5.053 5.531 . 0 0 "[ . 1 . 2 ]" 1
1154 1 123 PHE QD 1 126 ILE HG12 6.500 . 6.500 5.631 5.438 5.737 . 0 0 "[ . 1 . 2 ]" 1
1155 1 123 PHE QE 1 126 ILE HG12 7.500 . 7.500 6.200 6.066 6.279 . 0 0 "[ . 1 . 2 ]" 1
1156 1 130 LEU HA 1 133 LYS HB3 4.800 . 4.800 4.749 4.617 4.814 0.014 16 0 "[ . 1 . 2 ]" 1
1157 1 130 LEU HA 1 139 ALA MB 4.000 . 4.000 3.177 3.002 3.293 . 0 0 "[ . 1 . 2 ]" 1
1158 1 128 LEU HA 1 131 LYS HB2 4.000 . 4.000 2.666 2.405 3.458 . 0 0 "[ . 1 . 2 ]" 1
1159 1 131 LYS HA 1 134 LYS HA 3.200 . 3.200 3.143 2.978 3.253 0.053 8 0 "[ . 1 . 2 ]" 1
1160 1 32 ASP HA 1 133 LYS QE 4.500 . 4.500 3.641 3.000 4.342 . 0 0 "[ . 1 . 2 ]" 1
1161 1 130 LEU MD2 1 135 TYR HA 4.500 . 4.500 2.728 2.536 2.944 . 0 0 "[ . 1 . 2 ]" 1
1162 1 136 SER HA 1 137 PRO QD 3.500 . 3.500 2.177 2.113 2.231 . 0 0 "[ . 1 . 2 ]" 1
1163 1 136 SER HB2 1 137 PRO QD 4.000 . 4.000 3.391 3.307 3.447 . 0 0 "[ . 1 . 2 ]" 1
1164 1 139 ALA HA 1 142 VAL HB 3.000 . 3.000 2.831 2.620 2.997 . 0 0 "[ . 1 . 2 ]" 1
1165 1 139 ALA MB 1 140 TRP HA 5.300 . 5.300 3.799 3.720 3.866 . 0 0 "[ . 1 . 2 ]" 1
1166 1 130 LEU MD2 1 140 TRP HA 4.500 . 4.500 2.838 2.625 2.982 . 0 0 "[ . 1 . 2 ]" 1
1167 1 140 TRP HA 1 143 VAL HB 3.000 . 3.000 2.503 2.378 2.715 . 0 0 "[ . 1 . 2 ]" 1
1168 1 140 TRP HA 1 143 VAL QG 5.000 . 5.000 2.850 2.673 3.076 . 0 0 "[ . 1 . 2 ]" 1
1169 1 24 ILE QG 1 141 GLU HA 6.700 . 6.700 3.954 3.656 4.609 . 0 0 "[ . 1 . 2 ]" 1
1170 1 36 PHE QE 1 142 VAL HB 5.500 . 5.500 4.166 3.510 5.036 . 0 0 "[ . 1 . 2 ]" 1
1171 1 36 PHE HZ 1 142 VAL HB 4.500 . 4.500 4.404 4.095 4.531 0.031 22 0 "[ . 1 . 2 ]" 1
1172 1 143 VAL HA 1 146 GLU HB2 3.000 . 3.000 2.164 2.021 3.293 0.293 22 0 "[ . 1 . 2 ]" 1
1173 1 143 VAL HA 1 146 GLU HB3 3.600 . 3.600 3.500 1.953 3.697 0.097 6 0 "[ . 1 . 2 ]" 1
1174 1 140 TRP HE3 1 143 VAL HB 3.000 . 3.000 2.728 2.650 2.825 . 0 0 "[ . 1 . 2 ]" 1
1175 1 130 LEU MD2 1 143 VAL HB 5.500 . 5.500 3.213 2.872 3.578 . 0 0 "[ . 1 . 2 ]" 1
1176 1 18 LEU MD2 1 144 ARG HA 4.800 . 4.800 3.515 3.140 3.895 . 0 0 "[ . 1 . 2 ]" 1
1177 1 142 VAL HA 1 145 ALA MB 4.200 . 4.200 3.144 2.931 3.341 . 0 0 "[ . 1 . 2 ]" 1
1178 1 144 ARG HA 1 147 ILE HB 4.000 . 4.000 2.866 2.650 3.155 . 0 0 "[ . 1 . 2 ]" 1
1179 1 146 GLU HA 1 149 ARG HB2 4.000 . 4.000 3.267 2.575 3.638 . 0 0 "[ . 1 . 2 ]" 1
1180 1 150 SER HA 1 153 LEU HB2 3.000 . 3.000 2.497 2.457 2.534 . 0 0 "[ . 1 . 2 ]" 1
1181 1 150 SER HA 1 153 LEU HB3 4.000 . 4.000 4.060 4.029 4.089 0.089 16 0 "[ . 1 . 2 ]" 1
1182 1 15 LEU MD2 1 151 PHE QB 5.000 . 5.000 1.780 1.579 1.944 0.421 2 0 "[ . 1 . 2 ]" 1
1183 1 148 MET HA 1 151 PHE QB 5.000 . 5.000 2.858 2.525 3.148 . 0 0 "[ . 1 . 2 ]" 1
1184 1 56 LEU MD2 1 154 SER HB2 5.000 . 5.000 2.734 1.730 3.059 0.270 2 0 "[ . 1 . 2 ]" 1
1185 1 11 SER HA 1 155 THR MG 4.400 . 4.400 3.452 3.196 3.581 . 0 0 "[ . 1 . 2 ]" 1
1186 1 154 SER HB3 1 155 THR MG 4.600 . 4.600 3.566 3.329 3.955 . 0 0 "[ . 1 . 2 ]" 1
1187 1 154 SER HB2 1 155 THR MG 4.700 . 4.700 3.104 2.660 3.660 . 0 0 "[ . 1 . 2 ]" 1
1188 1 1 CYS HB3 1 3 LEU MD1 5.500 . 5.500 4.094 2.330 4.586 . 0 0 "[ . 1 . 2 ]" 1
1189 1 3 LEU HA 1 3 LEU MD1 5.000 . 5.000 2.659 1.809 4.110 0.191 16 0 "[ . 1 . 2 ]" 1
1190 1 1 CYS HB3 1 3 LEU MD2 6.200 . 6.200 2.733 1.913 5.076 0.087 5 0 "[ . 1 . 2 ]" 1
1191 1 3 LEU HA 1 3 LEU MD2 4.200 . 4.200 2.621 2.045 3.664 . 0 0 "[ . 1 . 2 ]" 1
1192 1 3 LEU MD2 1 4 PRO QG 6.800 . 6.800 4.866 3.839 5.173 . 0 0 "[ . 1 . 2 ]" 1
1193 1 3 LEU MD2 1 4 PRO HD3 5.200 . 5.200 3.629 2.379 4.239 . 0 0 "[ . 1 . 2 ]" 1
1194 1 3 LEU MD2 1 4 PRO HD2 5.000 . 5.000 3.718 2.893 4.220 . 0 0 "[ . 1 . 2 ]" 1
1195 1 3 LEU MD2 1 103 VAL HA 6.500 . 6.500 5.073 4.456 5.462 . 0 0 "[ . 1 . 2 ]" 1
1196 1 5 GLN QG 1 6 THR MG 6.500 . 6.500 4.164 2.942 4.853 . 0 0 "[ . 1 . 2 ]" 1
1197 1 6 THR MG 1 7 HIS HD2 6.000 . 6.000 4.499 3.673 5.018 . 0 0 "[ . 1 . 2 ]" 1
1198 1 11 SER HA 1 14 THR HB 3.400 . 3.400 2.688 2.506 2.956 . 0 0 "[ . 1 . 2 ]" 1
1199 1 12 ARG HA 1 15 LEU MD1 4.500 . 4.500 2.923 2.253 3.468 . 0 0 "[ . 1 . 2 ]" 1
1200 1 15 LEU HA 1 15 LEU MD1 4.500 . 4.500 3.813 3.791 3.835 . 0 0 "[ . 1 . 2 ]" 1
1201 1 15 LEU MD1 1 148 MET ME 7.000 . 7.000 4.460 3.831 4.861 . 0 0 "[ . 1 . 2 ]" 1
1202 1 15 LEU HA 1 15 LEU MD2 3.500 . 3.500 2.150 1.882 2.301 0.118 5 0 "[ . 1 . 2 ]" 1
1203 1 15 LEU MD2 1 18 LEU MD1 5.500 . 5.500 1.941 1.745 2.164 0.255 11 0 "[ . 1 . 2 ]" 1
1204 1 15 LEU MD2 1 148 MET HA 3.200 . 3.200 2.063 1.792 2.307 0.208 12 0 "[ . 1 . 2 ]" 1
1205 1 15 LEU MD2 1 148 MET HG2 4.500 . 4.500 2.967 2.313 3.613 . 0 0 "[ . 1 . 2 ]" 1
1206 1 15 LEU MD2 1 148 MET HG3 4.000 . 4.000 1.957 1.734 3.699 0.266 23 0 "[ . 1 . 2 ]" 1
1207 1 15 LEU MD2 1 148 MET ME 5.200 . 5.200 3.036 2.751 3.401 . 0 0 "[ . 1 . 2 ]" 1
1208 1 15 LEU MD2 1 152 SER HA 5.400 . 5.400 3.475 3.013 4.249 . 0 0 "[ . 1 . 2 ]" 1
1209 1 13 ARG HA 1 16 MET ME 5.500 . 5.500 3.582 2.331 4.380 . 0 0 "[ . 1 . 2 ]" 1
1210 1 13 ARG QD 1 16 MET ME 6.500 . 6.500 3.562 1.931 4.664 0.069 3 0 "[ . 1 . 2 ]" 1
1211 1 16 MET ME 1 17 LEU MD2 6.000 . 6.000 3.155 2.680 4.040 . 0 0 "[ . 1 . 2 ]" 1
1212 1 14 THR HA 1 17 LEU MD1 4.500 . 4.500 2.363 2.133 2.698 . 0 0 "[ . 1 . 2 ]" 1
1213 1 17 LEU HA 1 17 LEU MD1 5.300 . 5.300 3.813 3.740 3.865 . 0 0 "[ . 1 . 2 ]" 1
1214 1 17 LEU HA 1 17 LEU MD2 4.300 . 4.300 2.056 1.921 2.192 0.079 15 0 "[ . 1 . 2 ]" 1
1215 1 15 LEU HA 1 18 LEU MD1 4.000 . 4.000 2.005 1.837 2.212 0.163 7 0 "[ . 1 . 2 ]" 1
1216 1 18 LEU HA 1 18 LEU MD1 5.300 . 5.300 3.819 3.774 3.856 . 0 0 "[ . 1 . 2 ]" 1
1217 1 18 LEU MD1 1 148 MET HA 5.000 . 5.000 2.220 1.839 2.533 0.161 10 0 "[ . 1 . 2 ]" 1
1218 1 18 LEU MD1 1 148 MET HG2 5.500 . 5.500 4.258 1.950 4.503 0.050 11 0 "[ . 1 . 2 ]" 1
1219 1 18 LEU MD1 1 148 MET HG3 6.000 . 6.000 3.206 2.586 4.148 . 0 0 "[ . 1 . 2 ]" 1
1220 1 18 LEU HA 1 18 LEU MD2 3.800 . 3.800 2.125 1.987 2.238 0.013 1 0 "[ . 1 . 2 ]" 1
1221 1 18 LEU MD2 1 147 ILE HB 5.000 . 5.000 3.100 2.530 3.407 . 0 0 "[ . 1 . 2 ]" 1
1222 1 18 LEU MD2 1 147 ILE HG13 5.500 . 5.500 4.163 3.905 4.487 . 0 0 "[ . 1 . 2 ]" 1
1223 1 18 LEU MD2 1 148 MET HA 5.500 . 5.500 4.286 3.526 4.532 . 0 0 "[ . 1 . 2 ]" 1
1224 1 17 LEU HB2 1 21 MET ME 6.000 . 6.000 4.944 4.717 5.095 . 0 0 "[ . 1 . 2 ]" 1
1225 1 18 LEU HA 1 21 MET ME 4.000 . 4.000 2.800 2.326 3.222 . 0 0 "[ . 1 . 2 ]" 1
1226 1 21 MET ME 1 81 LEU HA 4.600 . 4.600 3.545 3.354 3.795 . 0 0 "[ . 1 . 2 ]" 1
1227 1 18 LEU MD2 1 21 MET ME 6.500 . 6.500 2.123 1.828 2.616 0.172 3 0 "[ . 1 . 2 ]" 1
1228 1 21 MET ME 1 21 MET QG 3.600 . 3.600 2.261 2.115 2.382 . 0 0 "[ . 1 . 2 ]" 1
1229 1 21 MET ME 1 76 TRP HA 6.200 . 6.200 4.985 4.865 5.077 . 0 0 "[ . 1 . 2 ]" 1
1230 1 24 ILE HA 1 24 ILE MG 3.500 . 3.500 2.115 2.034 2.193 . 0 0 "[ . 1 . 2 ]" 1
1231 1 24 ILE MG 1 138 CYS HA 6.000 . 6.000 4.916 4.855 4.994 . 0 0 "[ . 1 . 2 ]" 1
1232 1 24 ILE HA 1 24 ILE MD 4.800 . 4.800 4.087 4.075 4.097 . 0 0 "[ . 1 . 2 ]" 1
1233 1 24 ILE HB 1 24 ILE MD 3.600 . 3.600 2.285 2.181 2.410 . 0 0 "[ . 1 . 2 ]" 1
1234 1 24 ILE MD 1 137 PRO HA 6.000 . 6.000 3.815 3.464 4.066 . 0 0 "[ . 1 . 2 ]" 1
1235 1 24 ILE MD 1 137 PRO HB2 5.000 . 5.000 2.271 1.885 2.692 0.115 5 0 "[ . 1 . 2 ]" 1
1236 1 24 ILE MD 1 138 CYS HA 4.500 . 4.500 2.092 1.972 2.342 0.028 5 0 "[ . 1 . 2 ]" 1
1237 1 24 ILE MD 1 138 CYS HB2 6.000 . 6.000 4.296 4.048 4.670 . 0 0 "[ . 1 . 2 ]" 1
1238 1 26 LEU HA 1 26 LEU MD1 3.600 . 3.600 2.018 1.852 2.197 0.148 8 0 "[ . 1 . 2 ]" 1
1239 1 26 LEU MD1 1 29 CYS HB2 4.500 . 4.500 3.013 2.578 3.446 . 0 0 "[ . 1 . 2 ]" 1
1240 1 26 LEU MD1 1 29 CYS HB3 5.000 . 5.000 3.660 3.453 3.992 . 0 0 "[ . 1 . 2 ]" 1
1241 1 26 LEU MD1 1 33 ARG HA 5.000 . 5.000 3.397 2.544 4.048 . 0 0 "[ . 1 . 2 ]" 1
1242 1 26 LEU MD1 1 33 ARG QD 5.000 . 5.000 3.117 2.402 3.670 . 0 0 "[ . 1 . 2 ]" 1
1243 1 26 LEU MD1 1 142 VAL HA 4.000 . 4.000 2.415 2.197 3.087 . 0 0 "[ . 1 . 2 ]" 1
1244 1 26 LEU MD1 1 145 ALA MB 6.000 . 6.000 2.963 2.506 3.942 . 0 0 "[ . 1 . 2 ]" 1
1245 1 26 LEU HA 1 26 LEU MD2 4.500 . 4.500 3.812 3.777 3.831 . 0 0 "[ . 1 . 2 ]" 1
1246 1 26 LEU MD2 1 33 ARG QD 5.000 . 5.000 2.730 2.015 3.523 . 0 0 "[ . 1 . 2 ]" 1
1247 1 26 LEU MD2 1 142 VAL HA 5.000 . 5.000 4.036 3.853 4.124 . 0 0 "[ . 1 . 2 ]" 1
1248 1 27 PHE HB3 1 30 LEU MD1 4.800 . 4.800 3.075 2.676 3.661 . 0 0 "[ . 1 . 2 ]" 1
1249 1 27 PHE HB2 1 30 LEU MD1 5.500 . 5.500 4.078 3.958 4.254 . 0 0 "[ . 1 . 2 ]" 1
1250 1 30 LEU HA 1 30 LEU MD1 4.800 . 4.800 3.215 1.679 4.015 0.321 13 0 "[ . 1 . 2 ]" 1
1251 1 50 ALA MB 1 51 GLU QG 6.000 . 6.000 3.658 3.031 4.011 . 0 0 "[ . 1 . 2 ]" 1
1252 1 50 ALA MB 1 103 VAL HB 5.500 . 5.500 3.972 3.060 4.454 . 0 0 "[ . 1 . 2 ]" 1
1253 1 47 PHE HB2 1 52 THR MG 5.000 . 5.000 3.427 2.086 4.000 . 0 0 "[ . 1 . 2 ]" 1
1254 1 47 PHE HB3 1 52 THR MG 5.000 . 5.000 2.266 1.631 3.373 0.369 15 0 "[ . 1 . 2 ]" 1
1255 1 52 THR MG 1 55 VAL HB 4.500 . 4.500 3.232 1.688 3.747 0.312 22 0 "[ . 1 . 2 ]" 1
1256 1 53 ILE HA 1 53 ILE MG 3.600 . 3.600 2.398 2.318 2.472 . 0 0 "[ . 1 . 2 ]" 1
1257 1 53 ILE MG 1 54 PRO HA 5.000 . 5.000 3.605 3.494 3.716 . 0 0 "[ . 1 . 2 ]" 1
1258 1 53 ILE MG 1 54 PRO QD 5.200 . 5.200 3.258 3.063 3.427 . 0 0 "[ . 1 . 2 ]" 1
1259 1 53 ILE MG 1 95 LEU HB2 4.800 . 4.800 3.831 3.704 4.038 . 0 0 "[ . 1 . 2 ]" 1
1260 1 53 ILE MG 1 95 LEU HB3 3.800 . 3.800 2.474 2.329 2.647 . 0 0 "[ . 1 . 2 ]" 1
1261 1 53 ILE MG 1 98 CYS HA 6.800 . 6.800 4.662 4.353 4.946 . 0 0 "[ . 1 . 2 ]" 1
1262 1 53 ILE MG 1 98 CYS HB2 5.100 . 5.100 2.048 1.807 2.564 0.193 17 0 "[ . 1 . 2 ]" 1
1263 1 53 ILE MG 1 98 CYS HB3 4.500 . 4.500 3.037 2.310 3.395 . 0 0 "[ . 1 . 2 ]" 1
1264 1 50 ALA HA 1 53 ILE MD 4.500 . 4.500 2.003 1.721 2.475 0.279 15 0 "[ . 1 . 2 ]" 1
1265 1 50 ALA MB 1 53 ILE MD 6.000 . 6.000 2.382 1.724 3.072 0.276 21 0 "[ . 1 . 2 ]" 1
1266 1 53 ILE HA 1 53 ILE MD 4.500 . 4.500 3.756 3.697 3.807 . 0 0 "[ . 1 . 2 ]" 1
1267 1 53 ILE MD 1 54 PRO QD 6.500 . 6.500 3.770 3.612 3.871 . 0 0 "[ . 1 . 2 ]" 1
1268 1 53 ILE MD 1 98 CYS HA 6.500 . 6.500 4.195 3.875 4.680 . 0 0 "[ . 1 . 2 ]" 1
1269 1 53 ILE MD 1 98 CYS HB2 4.000 . 4.000 2.444 2.086 2.766 . 0 0 "[ . 1 . 2 ]" 1
1270 1 53 ILE MD 1 98 CYS HB3 4.000 . 4.000 2.337 1.929 2.934 0.071 15 0 "[ . 1 . 2 ]" 1
1271 1 52 THR HA 1 55 VAL MG1 6.000 . 6.000 4.395 3.963 4.964 . 0 0 "[ . 1 . 2 ]" 1
1272 1 55 VAL HA 1 55 VAL MG1 3.600 . 3.600 2.282 2.224 2.335 . 0 0 "[ . 1 . 2 ]" 1
1273 1 52 THR HA 1 55 VAL MG2 4.700 . 4.700 2.335 1.856 2.746 0.144 14 0 "[ . 1 . 2 ]" 1
1274 1 52 THR HB 1 55 VAL MG2 6.200 . 6.200 3.775 1.958 4.623 0.042 9 0 "[ . 1 . 2 ]" 1
1275 1 55 VAL HA 1 55 VAL MG2 3.700 . 3.700 2.505 2.397 2.579 . 0 0 "[ . 1 . 2 ]" 1
1276 1 55 VAL MG2 1 116 ILE HA 7.500 . 7.500 3.859 3.410 4.233 . 0 0 "[ . 1 . 2 ]" 1
1277 1 55 VAL MG2 1 116 ILE HG12 5.000 . 5.000 3.003 2.180 3.468 . 0 0 "[ . 1 . 2 ]" 1
1278 1 53 ILE HA 1 56 LEU MD1 5.000 . 5.000 2.759 2.576 2.902 . 0 0 "[ . 1 . 2 ]" 1
1279 1 53 ILE HG12 1 56 LEU MD1 4.500 . 4.500 3.540 3.446 3.634 . 0 0 "[ . 1 . 2 ]" 1
1280 1 56 LEU HA 1 56 LEU MD1 5.000 . 5.000 3.775 3.723 3.838 . 0 0 "[ . 1 . 2 ]" 1
1281 1 56 LEU MD1 1 154 SER HB3 4.600 . 4.600 3.915 3.666 5.135 0.535 2 2 "[ + -. 1 . 2 ]" 1
1282 1 56 LEU MD1 1 155 THR MG 5.200 . 5.200 2.763 2.307 3.104 . 0 0 "[ . 1 . 2 ]" 1
1283 1 55 VAL HB 1 56 LEU MD2 4.500 . 4.500 3.309 3.098 3.559 . 0 0 "[ . 1 . 2 ]" 1
1284 1 56 LEU HA 1 56 LEU MD2 4.500 . 4.500 1.927 1.780 2.020 0.220 16 0 "[ . 1 . 2 ]" 1
1285 1 56 LEU MD2 1 154 SER HB3 6.450 . 6.450 1.920 1.676 3.148 0.324 11 0 "[ . 1 . 2 ]" 1
1286 1 56 LEU MD2 1 155 THR HA 4.800 . 4.800 3.476 3.037 3.818 . 0 0 "[ . 1 . 2 ]" 1
1287 1 55 VAL MG1 1 59 MET ME 8.000 . 8.000 4.751 4.285 5.230 . 0 0 "[ . 1 . 2 ]" 1
1288 1 59 MET ME 1 63 ILE MD 5.800 . 5.800 2.922 2.673 3.329 . 0 0 "[ . 1 . 2 ]" 1
1289 1 59 MET ME 1 119 VAL MG1 6.200 . 6.200 2.819 2.300 3.348 . 0 0 "[ . 1 . 2 ]" 1
1290 1 59 MET ME 1 119 VAL MG2 7.100 . 7.100 3.003 2.312 3.574 . 0 0 "[ . 1 . 2 ]" 1
1291 1 59 MET ME 1 150 SER HB3 3.600 . 3.600 3.040 1.963 3.982 0.382 2 0 "[ . 1 . 2 ]" 1
1292 1 59 MET ME 1 151 PHE HA 3.800 . 3.800 2.324 2.082 2.618 . 0 0 "[ . 1 . 2 ]" 1
1293 1 59 MET ME 1 151 PHE QB 5.600 . 5.600 3.466 3.160 3.935 . 0 0 "[ . 1 . 2 ]" 1
1294 1 59 MET ME 1 154 SER HA 6.000 . 6.000 4.432 4.189 4.614 . 0 0 "[ . 1 . 2 ]" 1
1295 1 59 MET ME 1 154 SER HB3 4.500 . 4.500 3.437 2.112 3.723 . 0 0 "[ . 1 . 2 ]" 1
1296 1 59 MET ME 1 154 SER HB2 4.200 . 4.200 2.880 2.458 3.393 . 0 0 "[ . 1 . 2 ]" 1
1297 1 60 ILE HA 1 60 ILE MG 3.600 . 3.600 2.373 2.178 2.499 . 0 0 "[ . 1 . 2 ]" 1
1298 1 60 ILE MG 1 92 LEU HA 5.250 . 5.250 3.681 3.399 3.871 . 0 0 "[ . 1 . 2 ]" 1
1299 1 57 HIS HA 1 60 ILE MD 5.400 . 5.400 4.252 3.703 4.626 . 0 0 "[ . 1 . 2 ]" 1
1300 1 60 ILE HA 1 60 ILE MD 4.500 . 4.500 3.027 1.952 3.731 0.048 2 0 "[ . 1 . 2 ]" 1
1301 1 62 GLN HA 1 65 ASN QB 5.000 . 5.000 3.301 3.169 3.405 . 0 0 "[ . 1 . 2 ]" 1
1302 1 63 ILE HA 1 63 ILE MG 3.600 . 3.600 2.415 2.338 2.468 . 0 0 "[ . 1 . 2 ]" 1
1303 1 63 ILE MG 1 88 LEU MD1 4.500 . 4.500 2.232 2.036 2.485 . 0 0 "[ . 1 . 2 ]" 1
1304 1 63 ILE MG 1 88 LEU MD2 4.750 . 4.750 2.440 2.050 2.815 . 0 0 "[ . 1 . 2 ]" 1
1305 1 63 ILE HA 1 63 ILE MD 4.950 . 4.950 3.815 3.804 3.830 . 0 0 "[ . 1 . 2 ]" 1
1306 1 63 ILE MD 1 151 PHE QB 5.300 . 5.300 2.658 2.348 3.017 . 0 0 "[ . 1 . 2 ]" 1
1307 1 66 LEU HA 1 66 LEU MD1 3.600 . 3.600 2.197 1.951 2.313 0.049 13 0 "[ . 1 . 2 ]" 1
1308 1 66 LEU MD1 1 69 THR MG 5.800 . 5.800 3.566 3.387 3.698 . 0 0 "[ . 1 . 2 ]" 1
1309 1 66 LEU MD1 1 123 PHE QD 7.000 . 7.000 3.545 3.293 3.939 . 0 0 "[ . 1 . 2 ]" 1
1310 1 66 LEU MD1 1 126 ILE HA 7.000 . 7.000 5.222 4.981 5.483 . 0 0 "[ . 1 . 2 ]" 1
1311 1 66 LEU MD1 1 126 ILE MG 4.500 . 4.500 2.498 2.074 2.780 . 0 0 "[ . 1 . 2 ]" 1
1312 1 66 LEU MD1 1 127 THR HA 4.500 . 4.500 3.335 3.161 3.504 . 0 0 "[ . 1 . 2 ]" 1
1313 1 66 LEU MD1 1 127 THR MG 5.500 . 5.500 3.701 3.440 3.770 . 0 0 "[ . 1 . 2 ]" 1
1314 1 66 LEU MD1 1 130 LEU MD1 3.600 . 3.600 1.898 1.799 1.984 0.201 15 0 "[ . 1 . 2 ]" 1
1315 1 66 LEU MD1 1 130 LEU MD2 5.600 . 5.600 3.676 3.574 3.731 . 0 0 "[ . 1 . 2 ]" 1
1316 1 63 ILE HA 1 66 LEU MD2 4.500 . 4.500 2.939 2.744 3.191 . 0 0 "[ . 1 . 2 ]" 1
1317 1 66 LEU HA 1 66 LEU MD2 5.200 . 5.200 3.885 3.858 3.918 . 0 0 "[ . 1 . 2 ]" 1
1318 1 66 LEU MD2 1 126 ILE MG 4.500 . 4.500 2.231 2.018 2.494 . 0 0 "[ . 1 . 2 ]" 1
1319 1 66 LEU MD2 1 126 ILE MD 5.700 . 5.700 2.716 2.492 3.169 . 0 0 "[ . 1 . 2 ]" 1
1320 1 66 LEU MD2 1 130 LEU MD1 5.700 . 5.700 3.162 3.037 3.325 . 0 0 "[ . 1 . 2 ]" 1
1321 1 66 LEU HA 1 69 THR MG 5.000 . 5.000 2.673 2.448 2.942 . 0 0 "[ . 1 . 2 ]" 1
1322 1 71 ASP HA 1 74 ALA MB 6.000 . 6.000 3.175 2.907 3.455 . 0 0 "[ . 1 . 2 ]" 1
1323 1 71 ASP QB 1 74 ALA MB 7.500 . 7.500 4.657 4.441 4.825 . 0 0 "[ . 1 . 2 ]" 1
1324 1 73 SER QB 1 74 ALA MB 7.000 . 7.000 3.912 3.718 4.485 . 0 0 "[ . 1 . 2 ]" 1
1325 1 74 ALA MB 1 75 ALA HA 5.000 . 5.000 3.885 3.771 3.947 . 0 0 "[ . 1 . 2 ]" 1
1326 1 74 ALA MB 1 75 ALA MB 6.000 . 6.000 3.961 3.906 4.029 . 0 0 "[ . 1 . 2 ]" 1
1327 1 75 ALA MB 1 140 TRP HB2 6.750 . 6.750 3.246 3.068 3.472 . 0 0 "[ . 1 . 2 ]" 1
1328 1 75 ALA MB 1 140 TRP HB3 6.000 . 6.000 3.005 2.871 3.222 . 0 0 "[ . 1 . 2 ]" 1
1329 1 75 ALA MB 1 140 TRP HZ2 5.750 . 5.750 3.963 3.790 4.182 . 0 0 "[ . 1 . 2 ]" 1
1330 1 78 GLU HA 1 81 LEU HB3 3.700 . 3.700 3.724 3.705 3.749 0.049 18 0 "[ . 1 . 2 ]" 1
1331 1 78 GLU HA 1 81 LEU HB2 4.000 . 4.000 2.373 2.321 2.391 . 0 0 "[ . 1 . 2 ]" 1
1332 1 79 THR MG 1 82 ASP QB 4.500 . 4.500 3.090 2.950 3.271 . 0 0 "[ . 1 . 2 ]" 1
1333 1 77 ASP HA 1 80 LEU MD1 6.500 . 6.500 4.642 4.449 4.884 . 0 0 "[ . 1 . 2 ]" 1
1334 1 77 ASP HB2 1 80 LEU MD1 4.500 . 4.500 2.218 1.889 2.532 0.111 17 0 "[ . 1 . 2 ]" 1
1335 1 77 ASP HB3 1 80 LEU MD1 5.000 . 5.000 3.370 3.103 3.571 . 0 0 "[ . 1 . 2 ]" 1
1336 1 80 LEU HA 1 80 LEU MD1 4.500 . 4.500 3.802 3.766 3.832 . 0 0 "[ . 1 . 2 ]" 1
1337 1 20 GLN HB3 1 80 LEU MD2 4.200 . 4.200 2.584 2.092 2.962 . 0 0 "[ . 1 . 2 ]" 1
1338 1 20 GLN HB2 1 80 LEU MD2 4.400 . 4.400 2.751 2.219 3.157 . 0 0 "[ . 1 . 2 ]" 1
1339 1 77 ASP HB2 1 80 LEU MD2 5.000 . 5.000 4.006 3.906 4.217 . 0 0 "[ . 1 . 2 ]" 1
1340 1 77 ASP HB3 1 80 LEU MD2 6.500 . 6.500 4.601 4.311 4.914 . 0 0 "[ . 1 . 2 ]" 1
1341 1 79 THR MG 1 80 LEU MD2 6.300 . 6.300 3.432 3.275 3.665 . 0 0 "[ . 1 . 2 ]" 1
1342 1 80 LEU HA 1 80 LEU MD2 4.000 . 4.000 2.005 1.948 2.066 0.052 7 0 "[ . 1 . 2 ]" 1
1343 1 73 SER HA 1 81 LEU MD1 4.500 . 4.500 1.777 1.708 1.845 0.292 13 0 "[ . 1 . 2 ]" 1
1344 1 78 GLU HA 1 81 LEU MD1 4.700 . 4.700 3.355 3.196 3.490 . 0 0 "[ . 1 . 2 ]" 1
1345 1 81 LEU HA 1 81 LEU MD1 5.200 . 5.200 3.693 3.678 3.703 . 0 0 "[ . 1 . 2 ]" 1
1346 1 21 MET ME 1 81 LEU MD2 5.000 . 5.000 1.951 1.738 2.156 0.262 22 0 "[ . 1 . 2 ]" 1
1347 1 73 SER HA 1 81 LEU MD2 5.800 . 5.800 4.150 4.033 4.331 . 0 0 "[ . 1 . 2 ]" 1
1348 1 76 TRP HB3 1 81 LEU MD2 4.600 . 4.600 3.747 3.581 3.806 . 0 0 "[ . 1 . 2 ]" 1
1349 1 78 GLU HA 1 81 LEU MD2 6.000 . 6.000 5.070 5.018 5.099 . 0 0 "[ . 1 . 2 ]" 1
1350 1 81 LEU HA 1 81 LEU MD2 3.500 . 3.500 1.839 1.728 1.936 0.272 14 0 "[ . 1 . 2 ]" 1
1351 1 81 LEU MD2 1 85 TYR QE 6.000 . 6.000 2.978 2.702 3.219 . 0 0 "[ . 1 . 2 ]" 1
1352 1 67 PHE HB2 1 85 TYR QE 6.000 . 6.000 2.871 2.367 3.216 . 0 0 "[ . 1 . 2 ]" 1
1353 1 67 PHE HB3 1 85 TYR QE 4.500 . 4.500 2.667 2.181 2.888 . 0 0 "[ . 1 . 2 ]" 1
1354 1 81 LEU MD1 1 85 TYR QE 7.000 . 7.000 3.382 3.280 3.500 . 0 0 "[ . 1 . 2 ]" 1
1355 1 60 ILE MG 1 88 LEU MD1 6.000 . 6.000 3.447 3.285 3.630 . 0 0 "[ . 1 . 2 ]" 1
1356 1 88 LEU HA 1 88 LEU MD1 4.500 . 4.500 3.820 3.802 3.846 . 0 0 "[ . 1 . 2 ]" 1
1357 1 14 THR MG 1 88 LEU MD2 5.500 . 5.500 2.363 2.078 2.589 . 0 0 "[ . 1 . 2 ]" 1
1358 1 88 LEU HA 1 88 LEU MD2 4.500 . 4.500 1.965 1.898 2.064 0.102 15 0 "[ . 1 . 2 ]" 1
1359 1 60 ILE MG 1 88 LEU MD2 4.500 . 4.500 1.670 1.593 1.781 0.407 15 0 "[ . 1 . 2 ]" 1
1360 1 87 GLU HA 1 90 GLN QB 5.500 . 5.500 2.554 2.277 3.549 . 0 0 "[ . 1 . 2 ]" 1
1361 1 60 ILE MG 1 92 LEU HG 4.000 . 4.000 1.843 1.658 2.011 0.342 15 0 "[ . 1 . 2 ]" 1
1362 1 57 HIS HD2 1 92 LEU MD1 6.200 . 6.200 5.153 4.936 5.214 . 0 0 "[ . 1 . 2 ]" 1
1363 1 60 ILE MG 1 92 LEU MD1 5.500 . 5.500 2.088 1.793 2.415 0.207 2 0 "[ . 1 . 2 ]" 1
1364 1 60 ILE MD 1 92 LEU MD1 6.500 . 6.500 4.336 4.030 4.437 . 0 0 "[ . 1 . 2 ]" 1
1365 1 61 GLN HA 1 92 LEU MD1 4.300 . 4.300 2.583 1.850 2.932 0.150 10 0 "[ . 1 . 2 ]" 1
1366 1 92 LEU MD1 1 95 LEU MD1 7.000 . 7.000 4.685 4.353 4.798 . 0 0 "[ . 1 . 2 ]" 1
1367 1 64 PHE HB3 1 92 LEU MD1 6.000 . 6.000 3.663 3.289 4.083 . 0 0 "[ . 1 . 2 ]" 1
1368 1 64 PHE HB2 1 92 LEU MD1 5.700 . 5.700 2.852 2.390 3.320 . 0 0 "[ . 1 . 2 ]" 1
1369 1 89 TYR HA 1 92 LEU MD1 4.000 . 4.000 2.285 1.938 2.579 0.062 12 0 "[ . 1 . 2 ]" 1
1370 1 89 TYR QB 1 92 LEU MD1 6.000 . 6.000 3.862 3.549 4.307 . 0 0 "[ . 1 . 2 ]" 1
1371 1 92 LEU HA 1 92 LEU MD1 4.800 . 4.800 3.747 3.690 3.783 . 0 0 "[ . 1 . 2 ]" 1
1372 1 57 HIS HA 1 92 LEU MD2 4.000 . 4.000 2.297 2.060 2.511 . 0 0 "[ . 1 . 2 ]" 1
1373 1 57 HIS HD2 1 92 LEU MD2 4.500 . 4.500 2.732 2.419 2.937 . 0 0 "[ . 1 . 2 ]" 1
1374 1 60 ILE HB 1 92 LEU MD2 4.500 . 4.500 2.314 1.952 2.806 0.048 23 0 "[ . 1 . 2 ]" 1
1375 1 60 ILE MG 1 92 LEU MD2 4.500 . 4.500 2.769 2.302 3.035 . 0 0 "[ . 1 . 2 ]" 1
1376 1 60 ILE MD 1 92 LEU MD2 6.500 . 6.500 3.856 3.264 4.473 . 0 0 "[ . 1 . 2 ]" 1
1377 1 89 TYR HA 1 92 LEU MD2 6.000 . 6.000 4.449 4.210 4.805 . 0 0 "[ . 1 . 2 ]" 1
1378 1 92 LEU HA 1 92 LEU MD2 3.000 . 3.000 2.018 1.835 2.278 0.165 9 0 "[ . 1 . 2 ]" 1
1379 1 92 LEU MD2 1 95 LEU MD1 6.500 . 6.500 2.857 2.530 3.095 . 0 0 "[ . 1 . 2 ]" 1
1380 1 92 LEU MD2 1 95 LEU MD2 7.500 . 7.500 4.890 4.697 5.033 . 0 0 "[ . 1 . 2 ]" 1
1381 1 57 HIS HA 1 95 LEU MD1 4.000 . 4.000 2.113 1.730 2.409 0.270 10 0 "[ . 1 . 2 ]" 1
1382 1 57 HIS HB2 1 95 LEU MD1 5.500 . 5.500 3.224 3.021 3.517 . 0 0 "[ . 1 . 2 ]" 1
1383 1 57 HIS HD2 1 95 LEU MD1 6.000 . 6.000 3.586 3.194 3.865 . 0 0 "[ . 1 . 2 ]" 1
1384 1 60 ILE HA 1 95 LEU MD1 6.200 . 6.200 5.113 4.807 5.280 . 0 0 "[ . 1 . 2 ]" 1
1385 1 60 ILE MD 1 95 LEU MD1 6.000 . 6.000 2.423 1.885 3.210 0.115 24 0 "[ . 1 . 2 ]" 1
1386 1 92 LEU HA 1 95 LEU MD1 6.000 . 6.000 2.502 2.263 2.724 . 0 0 "[ . 1 . 2 ]" 1
1387 1 95 LEU HA 1 95 LEU MD1 6.000 . 6.000 3.811 3.785 3.830 . 0 0 "[ . 1 . 2 ]" 1
1388 1 53 ILE HA 1 95 LEU MD2 5.000 . 5.000 2.299 2.015 2.899 . 0 0 "[ . 1 . 2 ]" 1
1389 1 53 ILE HG12 1 95 LEU MD2 5.000 . 5.000 2.974 2.506 3.456 . 0 0 "[ . 1 . 2 ]" 1
1390 1 57 HIS HD2 1 95 LEU MD2 6.200 . 6.200 4.587 4.371 4.774 . 0 0 "[ . 1 . 2 ]" 1
1391 1 95 LEU HA 1 95 LEU MD2 4.000 . 4.000 2.037 1.897 2.144 0.103 3 0 "[ . 1 . 2 ]" 1
1392 1 96 GLU HA 1 99 VAL HB 3.100 . 3.100 2.501 2.346 2.625 . 0 0 "[ . 1 . 2 ]" 1
1393 1 54 PRO HA 1 99 VAL MG1 6.500 . 6.500 4.486 4.105 4.912 . 0 0 "[ . 1 . 2 ]" 1
1394 1 53 ILE HB 1 99 VAL MG2 4.500 . 4.500 3.639 3.078 3.774 . 0 0 "[ . 1 . 2 ]" 1
1395 1 53 ILE MG 1 99 VAL MG2 4.500 . 4.500 2.635 1.979 2.947 0.021 3 0 "[ . 1 . 2 ]" 1
1396 1 54 PRO HA 1 99 VAL MG2 5.000 . 5.000 2.852 2.421 3.394 . 0 0 "[ . 1 . 2 ]" 1
1397 1 54 PRO QD 1 99 VAL MG2 6.000 . 6.000 3.352 2.722 3.763 . 0 0 "[ . 1 . 2 ]" 1
1398 1 97 ALA HA 1 100 ILE MG 5.000 . 5.000 4.103 3.858 4.170 . 0 0 "[ . 1 . 2 ]" 1
1399 1 100 ILE HA 1 100 ILE MG 3.600 . 3.600 2.379 2.290 2.480 . 0 0 "[ . 1 . 2 ]" 1
1400 1 100 ILE MG 1 101 GLN QG 5.200 . 5.200 3.476 3.111 3.720 . 0 0 "[ . 1 . 2 ]" 1
1401 1 96 GLU QG 1 100 ILE MD 5.500 . 5.500 2.545 1.928 3.859 0.072 2 0 "[ . 1 . 2 ]" 1
1402 1 97 ALA HA 1 100 ILE MD 4.700 . 4.700 3.016 1.990 4.026 0.010 13 0 "[ . 1 . 2 ]" 1
1403 1 100 ILE HA 1 100 ILE MD 4.500 . 4.500 3.010 1.985 3.852 0.015 22 0 "[ . 1 . 2 ]" 1
1404 1 98 CYS HA 1 101 GLN HB2 5.200 . 5.200 3.594 3.220 4.136 . 0 0 "[ . 1 . 2 ]" 1
1405 1 1 CYS HB2 1 103 VAL HB 4.000 . 4.000 3.475 2.336 4.070 0.070 15 0 "[ . 1 . 2 ]" 1
1406 1 98 CYS HA 1 103 VAL MG1 7.000 . 7.000 4.260 3.507 5.345 . 0 0 "[ . 1 . 2 ]" 1
1407 1 1 CYS HB3 1 103 VAL MG1 5.600 . 5.600 3.261 2.178 4.369 . 0 0 "[ . 1 . 2 ]" 1
1408 1 1 CYS HA 1 103 VAL MG2 5.200 . 5.200 3.958 3.186 4.239 . 0 0 "[ . 1 . 2 ]" 1
1409 1 1 CYS HB3 1 103 VAL MG2 4.800 . 4.800 2.397 1.755 2.886 0.245 1 0 "[ . 1 . 2 ]" 1
1410 1 98 CYS HA 1 103 VAL MG2 5.000 . 5.000 2.553 1.711 3.636 0.289 21 0 "[ . 1 . 2 ]" 1
1411 1 101 GLN HA 1 103 VAL MG2 6.200 . 6.200 4.444 4.113 4.940 . 0 0 "[ . 1 . 2 ]" 1
1412 1 101 GLN QG 1 103 VAL MG2 8.000 . 8.000 3.502 3.045 4.068 . 0 0 "[ . 1 . 2 ]" 1
1413 1 103 VAL HA 1 103 VAL MG2 3.600 . 3.600 2.716 2.311 3.185 . 0 0 "[ . 1 . 2 ]" 1
1414 1 55 VAL MG1 1 115 SER HA 6.000 . 6.000 3.742 3.440 4.147 . 0 0 "[ . 1 . 2 ]" 1
1415 1 55 VAL MG2 1 115 SER HA 5.000 . 5.000 4.083 4.032 4.119 . 0 0 "[ . 1 . 2 ]" 1
1416 1 55 VAL HA 1 116 ILE MG 5.500 . 5.500 3.525 2.774 3.740 . 0 0 "[ . 1 . 2 ]" 1
1417 1 113 GLU HA 1 116 ILE MG 5.350 . 5.350 4.288 3.787 4.486 . 0 0 "[ . 1 . 2 ]" 1
1418 1 116 ILE HA 1 116 ILE MG 3.800 . 3.800 2.302 2.200 2.384 . 0 0 "[ . 1 . 2 ]" 1
1419 1 54 PRO HA 1 116 ILE MD 5.200 . 5.200 4.145 3.967 4.245 . 0 0 "[ . 1 . 2 ]" 1
1420 1 54 PRO HB2 1 116 ILE MD 4.000 . 4.000 2.769 2.353 3.054 . 0 0 "[ . 1 . 2 ]" 1
1421 1 55 VAL HA 1 116 ILE MD 5.400 . 5.400 2.775 2.400 3.202 . 0 0 "[ . 1 . 2 ]" 1
1422 1 113 GLU HA 1 116 ILE MD 4.000 . 4.000 2.727 1.953 3.090 0.047 24 0 "[ . 1 . 2 ]" 1
1423 1 113 GLU QG 1 116 ILE MD 5.800 . 5.800 3.801 2.888 4.245 . 0 0 "[ . 1 . 2 ]" 1
1424 1 116 ILE HA 1 116 ILE MD 4.800 . 4.800 3.844 3.777 3.896 . 0 0 "[ . 1 . 2 ]" 1
1425 1 113 GLU QB 1 117 LEU MD1 5.700 . 5.700 3.665 3.008 3.993 . 0 0 "[ . 1 . 2 ]" 1
1426 1 113 GLU QG 1 117 LEU MD1 5.000 . 5.000 2.759 2.298 3.330 . 0 0 "[ . 1 . 2 ]" 1
1427 1 114 ASP HA 1 117 LEU MD1 4.200 . 4.200 2.829 2.150 3.379 . 0 0 "[ . 1 . 2 ]" 1
1428 1 117 LEU HA 1 117 LEU MD1 4.400 . 4.400 3.661 3.515 3.753 . 0 0 "[ . 1 . 2 ]" 1
1429 1 114 ASP HA 1 117 LEU MD2 5.400 . 5.400 4.317 3.865 4.600 . 0 0 "[ . 1 . 2 ]" 1
1430 1 117 LEU HA 1 117 LEU MD2 4.350 . 4.350 2.343 1.824 3.217 0.176 22 0 "[ . 1 . 2 ]" 1
1431 1 39 PRO HB3 1 118 ALA MB 4.500 . 4.500 2.330 2.053 2.610 . 0 0 "[ . 1 . 2 ]" 1
1432 1 39 PRO HG2 1 118 ALA MB 4.500 . 4.500 2.356 2.097 2.757 . 0 0 "[ . 1 . 2 ]" 1
1433 1 115 SER QB 1 118 ALA MB 6.500 . 6.500 4.271 3.983 4.538 . 0 0 "[ . 1 . 2 ]" 1
1434 1 59 MET HA 1 119 VAL MG1 4.000 . 4.000 2.442 1.934 3.034 0.066 10 0 "[ . 1 . 2 ]" 1
1435 1 119 VAL HA 1 119 VAL MG1 3.600 . 3.600 2.369 2.256 2.450 . 0 0 "[ . 1 . 2 ]" 1
1436 1 116 ILE HA 1 119 VAL MG1 5.250 . 5.250 4.173 4.022 4.264 . 0 0 "[ . 1 . 2 ]" 1
1437 1 116 ILE MG 1 119 VAL MG1 6.100 . 6.100 4.014 3.946 4.101 . 0 0 "[ . 1 . 2 ]" 1
1438 1 59 MET HA 1 119 VAL MG2 5.600 . 5.600 4.162 3.741 4.510 . 0 0 "[ . 1 . 2 ]" 1
1439 1 116 ILE HA 1 119 VAL MG2 4.200 . 4.200 3.023 2.532 3.343 . 0 0 "[ . 1 . 2 ]" 1
1440 1 119 VAL HA 1 119 VAL MG2 3.600 . 3.600 2.310 2.180 2.436 . 0 0 "[ . 1 . 2 ]" 1
1441 1 123 PHE HA 1 126 ILE MG 5.100 . 5.100 3.820 3.729 3.902 . 0 0 "[ . 1 . 2 ]" 1
1442 1 126 ILE HA 1 126 ILE MG 3.600 . 3.600 2.343 2.242 2.394 . 0 0 "[ . 1 . 2 ]" 1
1443 1 126 ILE MG 1 127 THR HA 5.200 . 5.200 3.580 3.478 3.770 . 0 0 "[ . 1 . 2 ]" 1
1444 1 126 ILE MG 1 130 LEU HG 4.600 . 4.600 2.894 2.539 3.086 . 0 0 "[ . 1 . 2 ]" 1
1445 1 126 ILE MG 1 130 LEU MD1 5.600 . 5.600 2.421 2.081 2.808 . 0 0 "[ . 1 . 2 ]" 1
1446 1 126 ILE MG 1 143 VAL HB 5.600 . 5.600 3.807 3.706 3.978 . 0 0 "[ . 1 . 2 ]" 1
1447 1 126 ILE MG 1 147 ILE HG12 5.600 . 5.600 3.661 3.255 4.039 . 0 0 "[ . 1 . 2 ]" 1
1448 1 123 PHE HA 1 126 ILE MD 3.800 . 3.800 2.167 1.987 2.373 0.013 11 0 "[ . 1 . 2 ]" 1
1449 1 123 PHE HB3 1 126 ILE MD 5.800 . 5.800 4.048 3.643 4.216 . 0 0 "[ . 1 . 2 ]" 1
1450 1 123 PHE HB2 1 126 ILE MD 6.000 . 6.000 4.405 4.226 4.539 . 0 0 "[ . 1 . 2 ]" 1
1451 1 126 ILE HA 1 126 ILE MD 5.000 . 5.000 3.812 3.772 3.835 . 0 0 "[ . 1 . 2 ]" 1
1452 1 127 THR MG 1 130 LEU MD1 6.450 . 6.450 3.382 3.179 3.691 . 0 0 "[ . 1 . 2 ]" 1
1453 1 127 THR MG 1 131 LYS QE 6.000 . 6.000 2.750 1.864 4.440 0.136 11 0 "[ . 1 . 2 ]" 1
1454 1 129 TYR HA 1 132 GLU HB2 4.000 . 4.000 2.538 2.311 2.825 . 0 0 "[ . 1 . 2 ]" 1
1455 1 129 TYR HA 1 132 GLU HB3 4.000 . 4.000 3.421 2.949 4.043 0.043 20 0 "[ . 1 . 2 ]" 1
1456 1 127 THR HA 1 130 LEU MD1 4.900 . 4.900 2.173 1.918 2.461 0.082 16 0 "[ . 1 . 2 ]" 1
1457 1 130 LEU HA 1 130 LEU MD1 5.500 . 5.500 3.853 3.838 3.870 . 0 0 "[ . 1 . 2 ]" 1
1458 1 130 LEU MD1 1 135 TYR QE 6.500 . 6.500 2.684 2.127 3.189 . 0 0 "[ . 1 . 2 ]" 1
1459 1 126 ILE MG 1 130 LEU MD2 7.000 . 7.000 3.444 3.223 3.584 . 0 0 "[ . 1 . 2 ]" 1
1460 1 127 THR HA 1 130 LEU MD2 6.800 . 6.800 4.718 4.545 4.968 . 0 0 "[ . 1 . 2 ]" 1
1461 1 130 LEU HA 1 130 LEU MD2 4.200 . 4.200 2.213 2.079 2.323 . 0 0 "[ . 1 . 2 ]" 1
1462 1 130 LEU MD2 1 135 TYR QD 6.800 . 6.800 2.623 2.377 3.071 . 0 0 "[ . 1 . 2 ]" 1
1463 1 130 LEU MD2 1 139 ALA MB 4.600 . 4.600 2.774 2.592 2.912 . 0 0 "[ . 1 . 2 ]" 1
1464 1 130 LEU MD2 1 143 VAL MG2 4.500 . 4.500 2.218 2.074 2.548 . 0 0 "[ . 1 . 2 ]" 1
1465 1 131 LYS HA 1 135 TYR QE 6.500 . 6.500 3.654 3.214 4.148 . 0 0 "[ . 1 . 2 ]" 1
1466 1 128 LEU HA 1 131 LYS HB3 4.500 . 4.500 4.186 2.556 4.502 0.002 11 0 "[ . 1 . 2 ]" 1
1467 1 128 LEU QD 1 131 LYS QB 7.500 . 7.500 2.865 2.246 3.580 . 0 0 "[ . 1 . 2 ]" 1
1468 1 128 LEU HA 1 131 LYS HG3 4.700 . 4.700 3.811 2.754 5.482 0.782 8 4 "[* -. + 1 . 2* ]" 1
1469 1 128 LEU HA 1 131 LYS QD 5.200 . 5.200 3.792 2.667 4.749 . 0 0 "[ . 1 . 2 ]" 1
1470 1 131 LYS HA 1 131 LYS QD 5.200 . 5.200 3.471 1.825 4.160 0.175 17 0 "[ . 1 . 2 ]" 1
1471 1 131 LYS QD 1 135 TYR QE 5.500 . 5.500 4.158 2.366 4.697 . 0 0 "[ . 1 . 2 ]" 1
1472 1 133 LYS HB2 1 139 ALA MB 4.000 . 4.000 2.204 2.055 2.330 . 0 0 "[ . 1 . 2 ]" 1
1473 1 133 LYS HB3 1 139 ALA MB 4.000 . 4.000 2.320 2.082 2.638 . 0 0 "[ . 1 . 2 ]" 1
1474 1 133 LYS HD2 1 139 ALA MB 5.100 . 5.100 4.029 3.719 4.200 . 0 0 "[ . 1 . 2 ]" 1
1475 1 133 LYS HD3 1 139 ALA MB 4.300 . 4.300 2.970 2.493 3.240 . 0 0 "[ . 1 . 2 ]" 1
1476 1 136 SER HB3 1 139 ALA MB 4.800 . 4.800 2.979 1.787 3.743 0.213 1 0 "[ . 1 . 2 ]" 1
1477 1 26 LEU MD2 1 142 VAL MG1 7.500 . 7.500 4.240 3.882 4.754 . 0 0 "[ . 1 . 2 ]" 1
1478 1 33 ARG HA 1 142 VAL MG1 5.000 . 5.000 2.654 1.854 3.261 0.146 10 0 "[ . 1 . 2 ]" 1
1479 1 139 ALA HA 1 142 VAL MG1 5.200 . 5.200 4.183 3.948 4.329 . 0 0 "[ . 1 . 2 ]" 1
1480 1 142 VAL HA 1 142 VAL MG1 3.600 . 3.600 2.433 2.368 2.500 . 0 0 "[ . 1 . 2 ]" 1
1481 1 142 VAL MG1 1 143 VAL HA 5.000 . 5.000 3.402 3.267 3.538 . 0 0 "[ . 1 . 2 ]" 1
1482 1 26 LEU MD1 1 142 VAL MG2 4.700 . 4.700 2.244 1.940 2.599 0.060 22 0 "[ . 1 . 2 ]" 1
1483 1 32 ASP HA 1 142 VAL MG2 6.000 . 6.000 4.158 3.846 4.624 . 0 0 "[ . 1 . 2 ]" 1
1484 1 32 ASP HB2 1 142 VAL MG2 5.000 . 5.000 2.827 1.767 4.043 0.233 11 0 "[ . 1 . 2 ]" 1
1485 1 33 ARG HA 1 142 VAL MG2 4.500 . 4.500 1.924 1.698 2.635 0.302 23 0 "[ . 1 . 2 ]" 1
1486 1 139 ALA HA 1 142 VAL MG2 6.000 . 6.000 3.038 2.518 3.652 . 0 0 "[ . 1 . 2 ]" 1
1487 1 142 VAL HA 1 142 VAL MG2 3.200 . 3.200 2.283 2.149 2.383 . 0 0 "[ . 1 . 2 ]" 1
1488 1 126 ILE MG 1 143 VAL MG1 4.850 . 4.850 1.782 1.663 1.890 0.337 8 0 "[ . 1 . 2 ]" 1
1489 1 130 LEU MD1 1 143 VAL MG1 5.800 . 5.800 2.807 2.180 3.121 . 0 0 "[ . 1 . 2 ]" 1
1490 1 126 ILE MD 1 143 VAL MG1 7.500 . 7.500 2.720 2.307 2.933 . 0 0 "[ . 1 . 2 ]" 1
1491 1 130 LEU MD2 1 143 VAL MG1 7.500 . 7.500 3.061 2.842 3.347 . 0 0 "[ . 1 . 2 ]" 1
1492 1 143 VAL HA 1 143 VAL MG1 3.600 . 3.600 2.331 2.293 2.376 . 0 0 "[ . 1 . 2 ]" 1
1493 1 126 ILE MG 1 143 VAL MG2 4.750 . 4.750 1.928 1.765 2.128 0.235 11 0 "[ . 1 . 2 ]" 1
1494 1 129 TYR QD 1 143 VAL MG2 5.750 . 5.750 2.987 2.152 4.344 . 0 0 "[ . 1 . 2 ]" 1
1495 1 130 LEU MD1 1 143 VAL MG2 5.350 . 5.350 3.231 2.566 3.443 . 0 0 "[ . 1 . 2 ]" 1
1496 1 126 ILE MD 1 143 VAL MG2 6.500 . 6.500 3.935 3.703 4.105 . 0 0 "[ . 1 . 2 ]" 1
1497 1 143 VAL HA 1 143 VAL MG2 3.600 . 3.600 2.357 2.240 2.422 . 0 0 "[ . 1 . 2 ]" 1
1498 1 26 LEU QD 1 145 ALA MB 6.000 . 6.000 2.540 2.085 3.137 . 0 0 "[ . 1 . 2 ]" 1
1499 1 18 LEU MD1 1 147 ILE MG 4.800 . 4.800 2.017 1.840 2.216 0.160 16 0 "[ . 1 . 2 ]" 1
1500 1 18 LEU MD2 1 147 ILE MG 5.300 . 5.300 2.389 2.132 2.588 . 0 0 "[ . 1 . 2 ]" 1
1501 1 147 ILE HA 1 147 ILE MG 3.600 . 3.600 2.406 2.343 2.491 . 0 0 "[ . 1 . 2 ]" 1
1502 1 147 ILE MG 1 148 MET HA 5.100 . 5.100 3.463 3.355 3.631 . 0 0 "[ . 1 . 2 ]" 1
1503 1 147 ILE MG 1 151 PHE QB 5.200 . 5.200 2.914 2.624 3.080 . 0 0 "[ . 1 . 2 ]" 1
1504 1 63 ILE HA 1 147 ILE MD 6.000 . 6.000 3.427 3.235 3.556 . 0 0 "[ . 1 . 2 ]" 1
1505 1 126 ILE MD 1 147 ILE MD 5.000 . 5.000 2.178 1.940 2.471 0.060 2 0 "[ . 1 . 2 ]" 1
1506 1 143 VAL HA 1 147 ILE MD 6.500 . 6.500 4.909 4.760 5.090 . 0 0 "[ . 1 . 2 ]" 1
1507 1 147 ILE HA 1 147 ILE MD 3.600 . 3.600 1.969 1.936 2.023 0.064 11 0 "[ . 1 . 2 ]" 1
1508 1 15 LEU HA 1 148 MET ME 4.200 . 4.200 3.247 3.089 3.468 . 0 0 "[ . 1 . 2 ]" 1
1509 1 18 LEU MD1 1 148 MET ME 5.600 . 5.600 3.072 2.823 3.263 . 0 0 "[ . 1 . 2 ]" 1
1510 1 18 LEU MD2 1 148 MET ME 6.400 . 6.400 4.025 3.555 4.350 . 0 0 "[ . 1 . 2 ]" 1
1511 1 19 ALA HA 1 148 MET ME 3.800 . 3.800 2.387 1.941 2.897 0.059 1 0 "[ . 1 . 2 ]" 1
1512 1 149 ARG HD2 1 153 LEU MD1 5.000 . 5.000 3.137 1.871 3.980 0.129 22 0 "[ . 1 . 2 ]" 1
1513 1 149 ARG HD3 1 153 LEU MD1 5.000 . 5.000 3.329 2.482 3.925 . 0 0 "[ . 1 . 2 ]" 1
1514 1 38 PHE HB3 1 153 LEU MD1 4.500 . 4.500 2.795 2.413 3.156 . 0 0 "[ . 1 . 2 ]" 1
1515 1 38 PHE HB2 1 153 LEU MD1 6.500 . 6.500 3.602 3.105 3.916 . 0 0 "[ . 1 . 2 ]" 1
1516 1 40 GLN HA 1 153 LEU MD1 6.000 . 6.000 4.212 3.832 4.514 . 0 0 "[ . 1 . 2 ]" 1
1517 1 40 GLN QB 1 153 LEU MD1 4.500 . 4.500 2.158 1.856 2.528 0.144 17 0 "[ . 1 . 2 ]" 1
1518 1 40 GLN QG 1 153 LEU MD1 5.500 . 5.500 3.136 2.801 3.782 . 0 0 "[ . 1 . 2 ]" 1
1519 1 150 SER HA 1 153 LEU MD1 4.500 . 4.500 2.047 1.871 2.466 0.129 12 0 "[ . 1 . 2 ]" 1
1520 1 153 LEU HA 1 153 LEU MD1 4.900 . 4.900 3.816 3.769 3.854 . 0 0 "[ . 1 . 2 ]" 1
1521 1 40 GLN QG 1 153 LEU MD2 4.500 . 4.500 2.112 1.753 3.079 0.247 18 0 "[ . 1 . 2 ]" 1
1522 1 153 LEU HA 1 153 LEU MD2 3.800 . 3.800 2.080 1.951 2.270 0.049 23 0 "[ . 1 . 2 ]" 1
1523 1 43 PHE HB2 1 157 LEU MD1 5.500 . 5.500 5.104 4.465 5.640 0.140 9 0 "[ . 1 . 2 ]" 1
1524 1 43 PHE HB3 1 157 LEU MD1 6.900 . 6.900 4.009 3.421 4.474 . 0 0 "[ . 1 . 2 ]" 1
1525 1 44 GLY QA 1 157 LEU MD1 5.000 . 5.000 2.139 1.708 3.092 0.292 16 0 "[ . 1 . 2 ]" 1
1526 1 45 ASN HA 1 157 LEU MD1 5.500 . 5.500 4.544 4.258 4.658 . 0 0 "[ . 1 . 2 ]" 1
1527 1 157 LEU HA 1 157 LEU MD1 4.500 . 4.500 1.910 1.743 2.117 0.257 20 0 "[ . 1 . 2 ]" 1
1528 1 40 GLN QG 1 157 LEU MD2 6.500 . 6.500 4.257 3.390 4.854 . 0 0 "[ . 1 . 2 ]" 1
1529 1 43 PHE HB3 1 157 LEU MD2 5.500 . 5.500 2.350 1.697 2.931 0.303 4 0 "[ . 1 . 2 ]" 1
1530 1 44 GLY QA 1 157 LEU MD2 5.500 . 5.500 3.271 2.305 3.736 . 0 0 "[ . 1 . 2 ]" 1
1531 1 47 PHE HB3 1 157 LEU MD2 5.500 . 5.500 3.858 3.353 4.522 . 0 0 "[ . 1 . 2 ]" 1
1532 1 156 ASN HA 1 157 LEU MD2 5.800 . 5.800 4.477 4.109 4.668 . 0 0 "[ . 1 . 2 ]" 1
1533 1 157 LEU HA 1 157 LEU MD2 3.800 . 3.800 2.571 2.232 3.046 . 0 0 "[ . 1 . 2 ]" 1
1534 1 157 LEU QD 1 160 SER QB 7.600 . 7.600 3.573 2.547 4.805 . 0 0 "[ . 1 . 2 ]" 1
1535 1 161 LEU HA 1 161 LEU MD1 4.500 . 4.500 3.178 1.903 3.830 0.097 23 0 "[ . 1 . 2 ]" 1
1536 1 161 LEU HA 1 161 LEU MD2 4.500 . 4.500 2.954 1.983 3.815 0.017 7 0 "[ . 1 . 2 ]" 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 1 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 98 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 138 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS SG 1 98 CYS SG 2.020 . 2.120 2.018 2.014 2.022 . 0 0 "[ . 1 . 2 ]" 2
2 1 1 CYS SG 1 98 CYS CB 3.020 2.920 3.120 3.025 3.005 3.059 . 0 0 "[ . 1 . 2 ]" 2
3 1 1 CYS CB 1 98 CYS SG 3.020 2.920 3.120 3.025 3.006 3.040 . 0 0 "[ . 1 . 2 ]" 2
4 1 29 CYS SG 1 138 CYS SG 2.020 . 2.120 2.020 2.018 2.022 . 0 0 "[ . 1 . 2 ]" 2
5 1 29 CYS SG 1 138 CYS CB 3.020 2.920 3.120 3.023 3.004 3.038 . 0 0 "[ . 1 . 2 ]" 2
6 1 29 CYS CB 1 138 CYS SG 3.020 2.920 3.120 3.024 3.014 3.035 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 132
_Distance_constraint_stats_list.Viol_count 1170
_Distance_constraint_stats_list.Viol_total 904.994
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 11 SER 0.391 0.052 11 0 "[ . 1 . 2 ]"
1 12 ARG 0.057 0.023 4 0 "[ . 1 . 2 ]"
1 13 ARG 0.221 0.062 10 0 "[ . 1 . 2 ]"
1 14 THR 1.732 0.086 4 0 "[ . 1 . 2 ]"
1 15 LEU 0.663 0.052 11 0 "[ . 1 . 2 ]"
1 16 MET 0.479 0.054 24 0 "[ . 1 . 2 ]"
1 17 LEU 0.606 0.085 15 0 "[ . 1 . 2 ]"
1 18 LEU 1.732 0.086 4 0 "[ . 1 . 2 ]"
1 19 ALA 0.272 0.039 8 0 "[ . 1 . 2 ]"
1 20 GLN 0.422 0.054 24 0 "[ . 1 . 2 ]"
1 21 MET 0.385 0.085 15 0 "[ . 1 . 2 ]"
1 53 ILE 0.846 0.088 14 0 "[ . 1 . 2 ]"
1 54 PRO 1.343 0.088 8 0 "[ . 1 . 2 ]"
1 55 VAL 0.420 0.044 3 0 "[ . 1 . 2 ]"
1 56 LEU 1.423 0.092 18 0 "[ . 1 . 2 ]"
1 57 HIS 1.314 0.088 14 0 "[ . 1 . 2 ]"
1 58 GLU 1.638 0.088 8 0 "[ . 1 . 2 ]"
1 59 MET 0.746 0.063 23 0 "[ . 1 . 2 ]"
1 60 ILE 2.582 0.092 18 0 "[ . 1 . 2 ]"
1 61 GLN 0.867 0.049 17 0 "[ . 1 . 2 ]"
1 62 GLN 1.667 0.079 16 0 "[ . 1 . 2 ]"
1 63 ILE 0.357 0.063 23 0 "[ . 1 . 2 ]"
1 64 PHE 1.443 0.080 16 0 "[ . 1 . 2 ]"
1 65 ASN 0.399 0.049 17 0 "[ . 1 . 2 ]"
1 66 LEU 1.372 0.079 16 0 "[ . 1 . 2 ]"
1 67 PHE 0.031 0.015 4 0 "[ . 1 . 2 ]"
1 68 SER 0.284 0.040 3 0 "[ . 1 . 2 ]"
1 78 GLU 0.159 0.026 10 0 "[ . 1 . 2 ]"
1 79 THR 0.667 0.049 8 0 "[ . 1 . 2 ]"
1 80 LEU 0.092 0.023 22 0 "[ . 1 . 2 ]"
1 81 LEU 1.689 0.092 20 0 "[ . 1 . 2 ]"
1 82 ASP 1.666 0.094 19 0 "[ . 1 . 2 ]"
1 83 LYS 1.167 0.049 8 0 "[ . 1 . 2 ]"
1 84 PHE 0.179 0.026 2 0 "[ . 1 . 2 ]"
1 85 TYR 2.441 0.092 20 0 "[ . 1 . 2 ]"
1 86 THR 1.766 0.094 19 0 "[ . 1 . 2 ]"
1 87 GLU 0.681 0.059 5 0 "[ . 1 . 2 ]"
1 88 LEU 0.265 0.039 9 0 "[ . 1 . 2 ]"
1 89 TYR 1.307 0.057 20 0 "[ . 1 . 2 ]"
1 90 GLN 1.374 0.140 18 0 "[ . 1 . 2 ]"
1 91 GLN 1.641 0.107 19 0 "[ . 1 . 2 ]"
1 92 LEU 0.725 0.071 5 0 "[ . 1 . 2 ]"
1 93 ASN 0.725 0.057 20 0 "[ . 1 . 2 ]"
1 94 ASP 1.115 0.140 18 0 "[ . 1 . 2 ]"
1 95 LEU 1.460 0.107 19 0 "[ . 1 . 2 ]"
1 96 GLU 0.548 0.071 5 0 "[ . 1 . 2 ]"
1 97 ALA 0.171 0.045 17 0 "[ . 1 . 2 ]"
1 114 ASP 0.355 0.051 12 0 "[ . 1 . 2 ]"
1 115 SER 1.662 0.101 9 0 "[ . 1 . 2 ]"
1 116 ILE 0.974 0.092 22 0 "[ . 1 . 2 ]"
1 117 LEU 0.315 0.064 22 0 "[ . 1 . 2 ]"
1 118 ALA 0.485 0.054 3 0 "[ . 1 . 2 ]"
1 119 VAL 2.571 0.101 9 0 "[ . 1 . 2 ]"
1 120 ARG 1.108 0.092 22 0 "[ . 1 . 2 ]"
1 121 LYS 0.437 0.064 22 0 "[ . 1 . 2 ]"
1 122 TYR 1.243 0.055 3 0 "[ . 1 . 2 ]"
1 123 PHE 1.485 0.076 24 0 "[ . 1 . 2 ]"
1 124 GLN 0.491 0.045 6 0 "[ . 1 . 2 ]"
1 125 ARG 1.098 0.067 23 0 "[ . 1 . 2 ]"
1 126 ILE 1.248 0.055 3 0 "[ . 1 . 2 ]"
1 127 THR 0.689 0.064 21 0 "[ . 1 . 2 ]"
1 128 LEU 0.790 0.093 8 0 "[ . 1 . 2 ]"
1 129 TYR 1.111 0.067 23 0 "[ . 1 . 2 ]"
1 130 LEU 0.135 0.022 24 0 "[ . 1 . 2 ]"
1 131 LYS 0.112 0.041 13 0 "[ . 1 . 2 ]"
1 132 GLU 0.434 0.093 8 0 "[ . 1 . 2 ]"
1 133 LYS 0.134 0.028 18 0 "[ . 1 . 2 ]"
1 138 CYS 0.261 0.041 24 0 "[ . 1 . 2 ]"
1 139 ALA 0.059 0.019 1 0 "[ . 1 . 2 ]"
1 140 TRP 0.675 0.078 14 0 "[ . 1 . 2 ]"
1 141 GLU 0.730 0.082 9 0 "[ . 1 . 2 ]"
1 142 VAL 0.313 0.041 24 0 "[ . 1 . 2 ]"
1 143 VAL 1.570 0.107 4 0 "[ . 1 . 2 ]"
1 144 ARG 0.978 0.078 14 0 "[ . 1 . 2 ]"
1 145 ALA 0.886 0.082 9 0 "[ . 1 . 2 ]"
1 146 GLU 0.385 0.058 8 0 "[ . 1 . 2 ]"
1 147 ILE 2.150 0.107 4 0 "[ . 1 . 2 ]"
1 148 MET 0.605 0.064 19 0 "[ . 1 . 2 ]"
1 149 ARG 1.669 0.133 12 0 "[ . 1 . 2 ]"
1 150 SER 0.387 0.058 8 0 "[ . 1 . 2 ]"
1 151 PHE 0.794 0.077 22 0 "[ . 1 . 2 ]"
1 152 SER 1.064 0.065 19 0 "[ . 1 . 2 ]"
1 153 LEU 1.513 0.133 12 0 "[ . 1 . 2 ]"
1 154 SER 0.055 0.014 15 0 "[ . 1 . 2 ]"
1 155 THR 0.155 0.046 1 0 "[ . 1 . 2 ]"
1 156 ASN 0.762 0.065 19 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 SER O 1 15 LEU H 2.000 . 2.200 2.071 1.948 2.213 0.052 11 0 "[ . 1 . 2 ]" 3
2 1 11 SER C 1 15 LEU N 4.000 . 4.200 4.120 3.953 4.251 0.051 17 0 "[ . 1 . 2 ]" 3
3 1 12 ARG O 1 16 MET H 2.000 . 2.200 2.089 1.977 2.208 0.023 4 0 "[ . 1 . 2 ]" 3
4 1 12 ARG C 1 16 MET N 4.000 . 4.200 4.014 3.855 4.168 . 0 0 "[ . 1 . 2 ]" 3
5 1 13 ARG O 1 17 LEU H 2.000 . 2.200 2.066 1.977 2.262 0.062 10 0 "[ . 1 . 2 ]" 3
6 1 13 ARG C 1 17 LEU N 4.000 . 4.200 4.051 3.977 4.173 . 0 0 "[ . 1 . 2 ]" 3
7 1 14 THR O 1 18 LEU H 2.000 . 2.200 2.225 2.135 2.269 0.069 12 0 "[ . 1 . 2 ]" 3
8 1 14 THR C 1 18 LEU N 4.000 . 4.200 4.244 4.192 4.286 0.086 4 0 "[ . 1 . 2 ]" 3
9 1 15 LEU O 1 19 ALA H 2.000 . 2.200 2.134 2.000 2.235 0.035 10 0 "[ . 1 . 2 ]" 3
10 1 15 LEU C 1 19 ALA N 4.000 . 4.200 4.142 3.980 4.239 0.039 8 0 "[ . 1 . 2 ]" 3
11 1 16 MET O 1 20 GLN H 2.000 . 2.200 2.135 1.991 2.211 0.011 20 0 "[ . 1 . 2 ]" 3
12 1 16 MET C 1 20 GLN N 4.000 . 4.200 4.198 4.060 4.254 0.054 24 0 "[ . 1 . 2 ]" 3
13 1 17 LEU O 1 21 MET H 2.000 . 2.200 2.011 1.915 2.172 0.085 15 0 "[ . 1 . 2 ]" 3
14 1 17 LEU C 1 21 MET N 4.000 . 4.200 4.056 3.917 4.203 0.003 13 0 "[ . 1 . 2 ]" 3
15 1 53 ILE O 1 57 HIS H 2.000 . 2.200 1.966 1.912 2.015 0.088 14 0 "[ . 1 . 2 ]" 3
16 1 53 ILE C 1 57 HIS N 4.000 . 4.200 3.944 3.863 4.057 . 0 0 "[ . 1 . 2 ]" 3
17 1 54 PRO O 1 58 GLU H 2.000 . 2.200 2.206 1.994 2.246 0.046 21 0 "[ . 1 . 2 ]" 3
18 1 54 PRO C 1 58 GLU N 4.000 . 4.200 4.230 4.049 4.288 0.088 8 0 "[ . 1 . 2 ]" 3
19 1 55 VAL O 1 59 MET H 2.000 . 2.200 1.992 1.956 2.114 0.044 3 0 "[ . 1 . 2 ]" 3
20 1 55 VAL C 1 59 MET N 4.000 . 4.200 3.974 3.870 4.063 . 0 0 "[ . 1 . 2 ]" 3
21 1 56 LEU O 1 60 ILE H 2.000 . 2.200 1.941 1.908 1.970 0.092 18 0 "[ . 1 . 2 ]" 3
22 1 56 LEU C 1 60 ILE N 4.000 . 4.200 3.930 3.827 3.991 . 0 0 "[ . 1 . 2 ]" 3
23 1 57 HIS O 1 61 GLN H 2.000 . 2.200 2.199 2.128 2.242 0.042 16 0 "[ . 1 . 2 ]" 3
24 1 57 HIS C 1 61 GLN N 4.000 . 4.200 4.074 3.887 4.242 0.042 2 0 "[ . 1 . 2 ]" 3
25 1 58 GLU O 1 62 GLN H 2.000 . 2.200 2.026 1.949 2.205 0.051 5 0 "[ . 1 . 2 ]" 3
26 1 58 GLU C 1 62 GLN N 4.000 . 4.200 3.984 3.898 4.204 0.004 22 0 "[ . 1 . 2 ]" 3
27 1 59 MET O 1 63 ILE H 2.000 . 2.200 2.010 1.937 2.130 0.063 23 0 "[ . 1 . 2 ]" 3
28 1 59 MET C 1 63 ILE N 4.000 . 4.200 4.058 3.971 4.165 . 0 0 "[ . 1 . 2 ]" 3
29 1 60 ILE O 1 64 PHE H 2.000 . 2.200 1.952 1.920 1.986 0.080 16 0 "[ . 1 . 2 ]" 3
30 1 60 ILE C 1 64 PHE N 4.000 . 4.200 3.806 3.746 3.854 . 0 0 "[ . 1 . 2 ]" 3
31 1 61 GLN O 1 65 ASN H 2.000 . 2.200 2.160 2.016 2.234 0.034 8 0 "[ . 1 . 2 ]" 3
32 1 61 GLN C 1 65 ASN N 4.000 . 4.200 4.180 4.069 4.249 0.049 17 0 "[ . 1 . 2 ]" 3
33 1 62 GLN O 1 66 LEU H 2.000 . 2.200 1.943 1.921 1.984 0.079 16 0 "[ . 1 . 2 ]" 3
34 1 62 GLN C 1 66 LEU N 4.000 . 4.200 3.958 3.863 4.079 . 0 0 "[ . 1 . 2 ]" 3
35 1 63 ILE O 1 67 PHE H 2.000 . 2.200 2.083 1.994 2.215 0.015 4 0 "[ . 1 . 2 ]" 3
36 1 63 ILE C 1 67 PHE N 4.000 . 4.200 3.972 3.915 4.026 . 0 0 "[ . 1 . 2 ]" 3
37 1 64 PHE O 1 68 SER H 2.000 . 2.200 2.006 1.960 2.178 0.040 3 0 "[ . 1 . 2 ]" 3
38 1 64 PHE C 1 68 SER N 4.000 . 4.200 3.803 3.750 3.842 . 0 0 "[ . 1 . 2 ]" 3
39 1 78 GLU O 1 82 ASP H 2.000 . 2.200 1.996 1.974 2.034 0.026 10 0 "[ . 1 . 2 ]" 3
40 1 78 GLU C 1 82 ASP N 4.000 . 4.200 3.717 3.678 3.754 . 0 0 "[ . 1 . 2 ]" 3
41 1 79 THR O 1 83 LYS H 2.000 . 2.200 2.123 2.079 2.155 . 0 0 "[ . 1 . 2 ]" 3
42 1 79 THR C 1 83 LYS N 4.000 . 4.200 4.228 4.195 4.249 0.049 8 0 "[ . 1 . 2 ]" 3
43 1 80 LEU O 1 84 PHE H 2.000 . 2.200 2.170 2.064 2.223 0.023 22 0 "[ . 1 . 2 ]" 3
44 1 80 LEU C 1 84 PHE N 4.000 . 4.200 4.086 4.010 4.145 . 0 0 "[ . 1 . 2 ]" 3
45 1 81 LEU O 1 85 TYR H 2.000 . 2.200 1.930 1.908 1.951 0.092 20 0 "[ . 1 . 2 ]" 3
46 1 81 LEU C 1 85 TYR N 4.000 . 4.200 3.881 3.808 3.995 . 0 0 "[ . 1 . 2 ]" 3
47 1 82 ASP O 1 86 THR H 2.000 . 2.200 2.197 2.115 2.250 0.050 18 0 "[ . 1 . 2 ]" 3
48 1 82 ASP C 1 86 THR N 4.000 . 4.200 4.251 4.214 4.294 0.094 19 0 "[ . 1 . 2 ]" 3
49 1 83 LYS O 1 87 GLU H 2.000 . 2.200 1.985 1.958 2.114 0.042 19 0 "[ . 1 . 2 ]" 3
50 1 83 LYS C 1 87 GLU N 4.000 . 4.200 4.056 3.888 4.214 0.014 20 0 "[ . 1 . 2 ]" 3
51 1 84 PHE O 1 88 LEU H 2.000 . 2.200 2.144 2.042 2.226 0.026 2 0 "[ . 1 . 2 ]" 3
52 1 84 PHE C 1 88 LEU N 4.000 . 4.200 4.020 3.924 4.119 . 0 0 "[ . 1 . 2 ]" 3
53 1 85 TYR O 1 89 TYR H 2.000 . 2.200 1.969 1.944 2.018 0.056 23 0 "[ . 1 . 2 ]" 3
54 1 85 TYR C 1 89 TYR N 4.000 . 4.200 4.012 3.911 4.126 . 0 0 "[ . 1 . 2 ]" 3
55 1 86 THR O 1 90 GLN H 2.000 . 2.200 2.001 1.961 2.121 0.039 22 0 "[ . 1 . 2 ]" 3
56 1 86 THR C 1 90 GLN N 4.000 . 4.200 3.951 3.847 4.043 . 0 0 "[ . 1 . 2 ]" 3
57 1 87 GLU O 1 91 GLN H 2.000 . 2.200 2.033 1.941 2.152 0.059 5 0 "[ . 1 . 2 ]" 3
58 1 87 GLU C 1 91 GLN N 4.000 . 4.200 4.047 3.891 4.186 . 0 0 "[ . 1 . 2 ]" 3
59 1 88 LEU O 1 92 LEU H 2.000 . 2.200 2.161 2.039 2.239 0.039 9 0 "[ . 1 . 2 ]" 3
60 1 88 LEU C 1 92 LEU N 4.000 . 4.200 3.942 3.842 4.066 . 0 0 "[ . 1 . 2 ]" 3
61 1 89 TYR O 1 93 ASN H 2.000 . 2.200 1.990 1.943 2.151 0.057 20 0 "[ . 1 . 2 ]" 3
62 1 89 TYR C 1 93 ASN N 4.000 . 4.200 3.939 3.801 4.155 . 0 0 "[ . 1 . 2 ]" 3
63 1 90 GLN O 1 94 ASP H 2.000 . 2.200 2.151 1.994 2.217 0.017 18 0 "[ . 1 . 2 ]" 3
64 1 90 GLN C 1 94 ASP N 4.000 . 4.200 4.235 4.072 4.340 0.140 18 0 "[ . 1 . 2 ]" 3
65 1 91 GLN O 1 95 LEU H 2.000 . 2.200 1.942 1.893 2.076 0.107 19 0 "[ . 1 . 2 ]" 3
66 1 91 GLN C 1 95 LEU N 4.000 . 4.200 3.970 3.869 4.146 . 0 0 "[ . 1 . 2 ]" 3
67 1 92 LEU O 1 96 GLU H 2.000 . 2.200 1.993 1.929 2.104 0.071 5 0 "[ . 1 . 2 ]" 3
68 1 92 LEU C 1 96 GLU N 4.000 . 4.200 3.946 3.803 4.080 . 0 0 "[ . 1 . 2 ]" 3
69 1 93 ASN O 1 97 ALA H 2.000 . 2.200 2.053 1.955 2.193 0.045 17 0 "[ . 1 . 2 ]" 3
70 1 93 ASN C 1 97 ALA N 4.000 . 4.200 4.022 3.919 4.162 . 0 0 "[ . 1 . 2 ]" 3
71 1 114 ASP O 1 118 ALA H 2.000 . 2.200 2.024 1.949 2.222 0.051 12 0 "[ . 1 . 2 ]" 3
72 1 114 ASP C 1 118 ALA N 4.000 . 4.200 3.935 3.771 4.081 . 0 0 "[ . 1 . 2 ]" 3
73 1 115 SER O 1 119 VAL H 2.000 . 2.200 2.188 2.051 2.246 0.046 2 0 "[ . 1 . 2 ]" 3
74 1 115 SER C 1 119 VAL N 4.000 . 4.200 4.252 4.144 4.301 0.101 9 0 "[ . 1 . 2 ]" 3
75 1 116 ILE O 1 120 ARG H 2.000 . 2.200 1.962 1.908 2.068 0.092 22 0 "[ . 1 . 2 ]" 3
76 1 116 ILE C 1 120 ARG N 4.000 . 4.200 3.847 3.751 3.931 . 0 0 "[ . 1 . 2 ]" 3
77 1 117 LEU O 1 121 LYS H 2.000 . 2.200 2.068 1.957 2.264 0.064 22 0 "[ . 1 . 2 ]" 3
78 1 117 LEU C 1 121 LYS N 4.000 . 4.200 4.100 3.992 4.220 0.020 7 0 "[ . 1 . 2 ]" 3
79 1 118 ALA O 1 122 TYR H 2.000 . 2.200 2.126 2.003 2.220 0.020 2 0 "[ . 1 . 2 ]" 3
80 1 118 ALA C 1 122 TYR N 4.000 . 4.200 4.151 4.048 4.254 0.054 3 0 "[ . 1 . 2 ]" 3
81 1 119 VAL O 1 123 PHE H 2.000 . 2.200 1.962 1.924 1.999 0.076 24 0 "[ . 1 . 2 ]" 3
82 1 119 VAL C 1 123 PHE N 4.000 . 4.200 4.002 3.808 4.079 . 0 0 "[ . 1 . 2 ]" 3
83 1 120 ARG O 1 124 GLN H 2.000 . 2.200 2.031 1.969 2.117 0.031 10 0 "[ . 1 . 2 ]" 3
84 1 120 ARG C 1 124 GLN N 4.000 . 4.200 3.928 3.810 3.994 . 0 0 "[ . 1 . 2 ]" 3
85 1 121 LYS O 1 125 ARG H 2.000 . 2.200 2.173 2.107 2.228 0.028 13 0 "[ . 1 . 2 ]" 3
86 1 121 LYS C 1 125 ARG N 4.000 . 4.200 4.145 4.079 4.211 0.011 22 0 "[ . 1 . 2 ]" 3
87 1 122 TYR O 1 126 ILE H 2.000 . 2.200 2.221 2.147 2.254 0.054 11 0 "[ . 1 . 2 ]" 3
88 1 122 TYR C 1 126 ILE N 4.000 . 4.200 4.220 4.153 4.255 0.055 3 0 "[ . 1 . 2 ]" 3
89 1 123 PHE O 1 127 THR H 2.000 . 2.200 1.978 1.936 2.038 0.064 21 0 "[ . 1 . 2 ]" 3
90 1 123 PHE C 1 127 THR N 4.000 . 4.200 3.995 3.921 4.037 . 0 0 "[ . 1 . 2 ]" 3
91 1 124 GLN O 1 128 LEU H 2.000 . 2.200 2.145 2.019 2.227 0.027 22 0 "[ . 1 . 2 ]" 3
92 1 124 GLN C 1 128 LEU N 4.000 . 4.200 4.189 4.078 4.245 0.045 6 0 "[ . 1 . 2 ]" 3
93 1 125 ARG O 1 129 TYR H 2.000 . 2.200 1.959 1.933 1.986 0.067 23 0 "[ . 1 . 2 ]" 3
94 1 125 ARG C 1 129 TYR N 4.000 . 4.200 4.018 3.903 4.124 . 0 0 "[ . 1 . 2 ]" 3
95 1 126 ILE O 1 130 LEU H 2.000 . 2.200 2.151 1.987 2.222 0.022 24 0 "[ . 1 . 2 ]" 3
96 1 126 ILE C 1 130 LEU N 4.000 . 4.200 4.150 4.031 4.213 0.013 13 0 "[ . 1 . 2 ]" 3
97 1 127 THR O 1 131 LYS H 2.000 . 2.200 2.108 1.992 2.192 0.008 16 0 "[ . 1 . 2 ]" 3
98 1 127 THR C 1 131 LYS N 4.000 . 4.200 4.147 4.038 4.241 0.041 13 0 "[ . 1 . 2 ]" 3
99 1 128 LEU O 1 132 GLU H 2.000 . 2.200 1.989 1.907 2.062 0.093 8 0 "[ . 1 . 2 ]" 3
100 1 128 LEU C 1 132 GLU N 4.000 . 4.200 3.918 3.841 4.004 . 0 0 "[ . 1 . 2 ]" 3
101 1 129 TYR O 1 133 LYS H 2.000 . 2.200 2.049 1.972 2.132 0.028 18 0 "[ . 1 . 2 ]" 3
102 1 129 TYR C 1 133 LYS N 4.000 . 4.200 4.151 4.030 4.228 0.028 13 0 "[ . 1 . 2 ]" 3
103 1 138 CYS O 1 142 VAL H 2.000 . 2.200 2.065 1.960 2.213 0.040 14 0 "[ . 1 . 2 ]" 3
104 1 138 CYS C 1 142 VAL N 4.000 . 4.200 4.140 4.007 4.241 0.041 24 0 "[ . 1 . 2 ]" 3
105 1 139 ALA O 1 143 VAL H 2.000 . 2.200 2.060 1.981 2.131 0.019 1 0 "[ . 1 . 2 ]" 3
106 1 139 ALA C 1 143 VAL N 4.000 . 4.200 4.091 3.993 4.166 . 0 0 "[ . 1 . 2 ]" 3
107 1 140 TRP O 1 144 ARG H 2.000 . 2.200 1.976 1.922 2.068 0.078 14 0 "[ . 1 . 2 ]" 3
108 1 140 TRP C 1 144 ARG N 4.000 . 4.200 3.815 3.730 3.906 . 0 0 "[ . 1 . 2 ]" 3
109 1 141 GLU O 1 145 ALA H 2.000 . 2.200 2.093 1.962 2.211 0.038 13 0 "[ . 1 . 2 ]" 3
110 1 141 GLU C 1 145 ALA N 4.000 . 4.200 4.197 4.058 4.282 0.082 9 0 "[ . 1 . 2 ]" 3
111 1 142 VAL O 1 146 GLU H 2.000 . 2.200 2.083 1.980 2.209 0.020 6 0 "[ . 1 . 2 ]" 3
112 1 142 VAL C 1 146 GLU N 4.000 . 4.200 4.046 3.885 4.161 . 0 0 "[ . 1 . 2 ]" 3
113 1 143 VAL O 1 147 ILE H 2.000 . 2.200 1.937 1.893 1.969 0.107 4 0 "[ . 1 . 2 ]" 3
114 1 143 VAL C 1 147 ILE N 4.000 . 4.200 3.828 3.779 3.895 . 0 0 "[ . 1 . 2 ]" 3
115 1 144 ARG O 1 148 MET H 2.000 . 2.200 2.027 1.936 2.186 0.064 19 0 "[ . 1 . 2 ]" 3
116 1 144 ARG C 1 148 MET N 4.000 . 4.200 4.058 3.990 4.192 . 0 0 "[ . 1 . 2 ]" 3
117 1 145 ALA O 1 149 ARG H 2.000 . 2.200 2.033 1.963 2.207 0.037 13 0 "[ . 1 . 2 ]" 3
118 1 145 ALA C 1 149 ARG N 4.000 . 4.200 4.024 3.913 4.136 . 0 0 "[ . 1 . 2 ]" 3
119 1 146 GLU O 1 150 SER H 2.000 . 2.200 2.003 1.942 2.188 0.058 8 0 "[ . 1 . 2 ]" 3
120 1 146 GLU C 1 150 SER N 4.000 . 4.200 3.971 3.866 4.115 . 0 0 "[ . 1 . 2 ]" 3
121 1 147 ILE O 1 151 PHE H 2.000 . 2.200 1.977 1.923 2.046 0.077 22 0 "[ . 1 . 2 ]" 3
122 1 147 ILE C 1 151 PHE N 4.000 . 4.200 3.902 3.824 3.995 . 0 0 "[ . 1 . 2 ]" 3
123 1 148 MET O 1 152 SER H 2.000 . 2.200 2.037 1.950 2.220 0.050 4 0 "[ . 1 . 2 ]" 3
124 1 148 MET C 1 152 SER N 4.000 . 4.200 3.976 3.808 4.124 . 0 0 "[ . 1 . 2 ]" 3
125 1 149 ARG O 1 153 LEU H 2.000 . 2.200 1.939 1.867 2.032 0.133 12 0 "[ . 1 . 2 ]" 3
126 1 149 ARG C 1 153 LEU N 4.000 . 4.200 3.943 3.830 4.090 . 0 0 "[ . 1 . 2 ]" 3
127 1 150 SER O 1 154 SER H 2.000 . 2.200 2.043 1.986 2.155 0.014 15 0 "[ . 1 . 2 ]" 3
128 1 150 SER C 1 154 SER N 4.000 . 4.200 4.055 3.959 4.146 . 0 0 "[ . 1 . 2 ]" 3
129 1 151 PHE O 1 155 THR H 2.000 . 2.200 2.053 1.954 2.199 0.046 1 0 "[ . 1 . 2 ]" 3
130 1 151 PHE C 1 155 THR N 4.000 . 4.200 4.053 3.962 4.136 . 0 0 "[ . 1 . 2 ]" 3
131 1 152 SER O 1 156 ASN H 2.000 . 2.200 2.229 2.152 2.265 0.065 19 0 "[ . 1 . 2 ]" 3
132 1 152 SER C 1 156 ASN N 4.000 . 4.200 3.795 3.641 3.950 . 0 0 "[ . 1 . 2 ]" 3
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