NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623246 |
5nwm   |
34131 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5nwm
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 1231
_Distance_constraint_stats_list.Viol_count 3612
_Distance_constraint_stats_list.Viol_total 10797.710
_Distance_constraint_stats_list.Viol_max 1.723
_Distance_constraint_stats_list.Viol_rms 0.1000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0219
_Distance_constraint_stats_list.Viol_average_violations_only 0.1495
_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 6 VAL 0.249 0.071 7 0 "[ . 1 . 2]"
1 7 GLU 0.185 0.071 7 0 "[ . 1 . 2]"
1 8 SER 0.198 0.069 8 0 "[ . 1 . 2]"
1 9 PHE 4.107 0.185 5 0 "[ . 1 . 2]"
1 10 MET 2.804 0.186 5 0 "[ . 1 . 2]"
1 11 THR 2.670 0.994 4 1 "[ +. 1 . 2]"
1 12 LYS 14.334 0.478 4 0 "[ . 1 . 2]"
1 13 GLN 14.684 0.859 20 1 "[ . 1 . +]"
1 14 ASP 16.788 0.978 17 4 "[ . * - * . + 2]"
1 15 THR 9.051 0.978 17 4 "[ . * - * . + 2]"
1 16 THR 23.744 1.520 15 20 [****-*********+*****]
1 17 GLY 10.322 0.977 19 3 "[- . 1 . +*]"
1 18 LYS 0.636 0.084 20 0 "[ . 1 . 2]"
1 19 ILE 7.296 1.133 19 4 "[ * 1- . +*]"
1 20 ILE 2.561 0.202 13 0 "[ . 1 . 2]"
1 21 SER 11.519 1.274 19 6 "[ **. * 1* - . +2]"
1 22 ILE 5.009 0.697 3 1 "[ + . 1 . 2]"
1 23 ASP 3.231 0.186 5 0 "[ . 1 . 2]"
1 24 THR 3.787 0.409 20 0 "[ . 1 . 2]"
1 25 SER 4.749 0.727 12 5 "[ * *. * 1 + . - 2]"
1 26 SER 0.038 0.037 5 0 "[ . 1 . 2]"
1 27 LEU 2.893 0.278 5 0 "[ . 1 . 2]"
1 28 ARG 0.570 0.055 3 0 "[ . 1 . 2]"
1 29 ALA 0.071 0.037 5 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.033 0.033 5 0 "[ . 1 . 2]"
1 32 ARG 0.633 0.085 5 0 "[ . 1 . 2]"
1 33 THR 1.721 0.085 5 0 "[ . 1 . 2]"
1 34 GLY 2.850 0.209 6 0 "[ . 1 . 2]"
1 35 TRP 9.766 0.278 5 0 "[ . 1 . 2]"
1 36 GLU 8.325 0.965 10 3 "[ .- * + . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 2.743 0.549 6 1 "[ .+ 1 . 2]"
1 39 VAL 3.501 0.416 8 0 "[ . 1 . 2]"
1 40 ARG 9.005 1.256 13 7 "[ .*** * + .-* 2]"
1 41 LYS 4.109 0.245 12 0 "[ . 1 . 2]"
1 42 CYS 0.974 0.063 18 0 "[ . 1 . 2]"
1 43 ILE 2.828 0.882 13 2 "[ . - 1 + . 2]"
1 44 TYR 4.623 0.151 5 0 "[ . 1 . 2]"
1 45 ALA 3.907 0.159 3 0 "[ . 1 . 2]"
1 46 PHE 4.039 0.294 5 0 "[ . 1 . 2]"
1 47 PHE 29.784 1.533 10 11 "[ *.****+ * .- ***]"
1 48 GLN 2.678 0.202 16 0 "[ . 1 . 2]"
1 49 PRO 7.596 0.394 17 0 "[ . 1 . 2]"
1 50 GLN 20.330 0.838 13 9 "[ **. * ** +** - 2]"
1 51 GLY 2.653 0.132 14 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.224 0.070 14 0 "[ . 1 . 2]"
1 54 PRO 1.525 0.116 6 0 "[ . 1 . 2]"
1 55 SER 0.594 0.055 9 0 "[ . 1 . 2]"
1 56 TYR 17.676 0.577 5 3 "[ + 1 -. * 2]"
1 57 ALA 3.563 0.175 16 0 "[ . 1 . 2]"
1 58 ARG 4.434 0.684 13 1 "[ . 1 + . 2]"
1 59 GLN 4.318 0.439 19 0 "[ . 1 . 2]"
1 60 LEU 2.679 0.342 2 0 "[ . 1 . 2]"
1 61 PHE 29.361 1.723 10 13 "[ ******+ * .*-***]"
1 62 GLN 3.004 0.592 1 1 "[+ . 1 . 2]"
1 63 GLU 0.582 0.092 2 0 "[ . 1 . 2]"
1 64 VAL 0.059 0.022 1 0 "[ . 1 . 2]"
1 65 MET 5.457 0.321 10 0 "[ . 1 . 2]"
1 66 THR 2.375 0.222 5 0 "[ . 1 . 2]"
1 67 ARG 11.274 0.488 2 0 "[ . 1 . 2]"
1 68 GLY 18.484 0.488 2 0 "[ . 1 . 2]"
1 69 THR 2.304 0.112 16 0 "[ . 1 . 2]"
1 70 ALA 0.825 0.115 2 0 "[ . 1 . 2]"
1 71 SER 4.866 0.905 10 4 "[ . + - . * *2]"
1 72 SER 6.374 0.905 10 4 "[ . + - . * *2]"
1 73 PRO 0.995 0.248 15 0 "[ . 1 . 2]"
1 74 SER 0.621 0.167 18 0 "[ . 1 . 2]"
1 75 TYR 15.662 0.577 5 3 "[ + 1 -. * 2]"
1 76 ARG 3.822 0.297 2 0 "[ . 1 . 2]"
1 77 PHE 5.527 0.187 2 0 "[ . 1 . 2]"
1 78 ILE 2.601 0.149 20 0 "[ . 1 . 2]"
1 79 LEU 4.472 0.286 6 0 "[ . 1 . 2]"
1 80 ASN 5.154 0.556 16 3 "[* . -1 .+ 2]"
1 81 ASP 5.154 0.556 16 3 "[* . -1 .+ 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 2.659 0.153 5 0 "[ . 1 . 2]"
1 84 MET 4.812 0.416 6 0 "[ . 1 . 2]"
1 85 LEU 1.389 0.220 13 0 "[ . 1 . 2]"
1 86 SER 1.227 0.220 13 0 "[ . 1 . 2]"
1 87 ALA 1.637 0.123 5 0 "[ . 1 . 2]"
1 88 HIS 9.478 0.398 16 0 "[ . 1 . 2]"
1 89 THR 9.207 0.268 18 0 "[ . 1 . 2]"
1 90 ARG 4.647 0.216 18 0 "[ . 1 . 2]"
1 91 CYS 5.292 0.201 16 0 "[ . 1 . 2]"
1 92 LYS 3.330 0.201 16 0 "[ . 1 . 2]"
1 93 LEU 16.549 0.936 18 4 "[ -. * 1 . + *]"
1 94 CYS 45.888 1.545 16 20 [***************+-***]
1 95 TYR 18.019 1.104 19 10 "[ **** 1** .* *+-]"
1 96 PRO 1.114 0.108 17 0 "[ . 1 . 2]"
1 98 SER 1.751 0.516 17 1 "[ . 1 . + 2]"
1 100 ASP 0.753 0.141 18 0 "[ . 1 . 2]"
1 101 MET 3.230 0.327 20 0 "[ . 1 . 2]"
1 102 GLN 0.791 0.134 20 0 "[ . 1 . 2]"
1 103 PRO 9.163 0.352 18 0 "[ . 1 . 2]"
1 104 PHE 8.012 0.581 20 3 "[ . * - . +]"
1 105 ILE 14.136 1.109 10 7 "[ .* **+ * . * -]"
1 106 MET 43.445 1.545 16 20 [***************+-***]
1 107 GLY 0.449 0.070 19 0 "[ . 1 . 2]"
1 108 ILE 3.801 0.467 12 0 "[ . 1 . 2]"
1 109 HIS 2.220 0.244 15 0 "[ . 1 . 2]"
1 110 ILE 5.781 0.829 11 3 "[ . 1+ -* 2]"
1 111 ILE 0.363 0.069 8 0 "[ . 1 . 2]"
1 112 ASP 2.607 0.158 16 0 "[ . 1 . 2]"
1 113 ARG 6.544 0.626 7 3 "[ . +- 1 *. 2]"
1 114 GLU 3.105 0.397 14 0 "[ . 1 . 2]"
1 116 SER 1.280 0.402 2 0 "[ . 1 . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LEU 1.652 0.209 7 0 "[ . 1 . 2]"
1 119 SER 0.143 0.036 9 0 "[ . 1 . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLN 4.084 0.846 14 3 "[ . * 1 -+. 2]"
1 122 ASP 4.191 0.330 7 0 "[ . 1 . 2]"
1 123 ASP 1.654 0.147 2 0 "[ . 1 . 2]"
1 126 SER 0.196 0.015 20 0 "[ . 1 . 2]"
1 128 MET 1.241 0.103 20 0 "[ . 1 . 2]"
1 129 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ILE 0.017 0.017 9 0 "[ . 1 . 2]"
1 132 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 THR 0.085 0.066 4 0 "[ . 1 . 2]"
2 3 TRP 5.970 0.773 4 5 "[ +* * - * . 2]"
2 4 ILE 51.617 1.723 10 14 "[ ******+* * .***-*]"
2 5 GLY 0.176 0.074 13 0 "[ . 1 . 2]"
2 6 GLU 20.184 0.702 19 5 "[ . 1 * .-**+2]"
2 7 ASP 14.019 0.590 16 5 "[ - * * .+ *2]"
2 8 ILE 17.603 0.741 18 4 "[ . * .* +-2]"
2 9 PHE 12.638 0.590 16 4 "[ - * * .+ 2]"
2 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 PRO 0.143 0.143 17 0 "[ . 1 . 2]"
2 12 LEU 23.035 1.533 10 13 "[* *****+ * .-****]"
2 13 LEU 1.493 0.676 17 1 "[ . 1 . + 2]"
2 14 PRO 16.365 1.323 10 10 "[ *.**-*+ * . ***]"
2 15 PRO 4.690 1.133 19 3 "[ * 1- . +2]"
2 16 THR 2.060 0.115 16 0 "[ . 1 . 2]"
2 17 GLU 2.935 0.149 16 0 "[ . 1 . 2]"
2 18 GLN 8.095 0.859 5 6 "[ * + * * - . *2]"
2 19 ASP 4.308 0.588 10 1 "[ . + . 2]"
2 20 LEU 7.949 0.882 13 2 "[ . - 1 + . 2]"
2 21 THR 4.705 0.235 9 0 "[ . 1 . 2]"
2 22 LYS 2.395 0.155 17 0 "[ . 1 . 2]"
2 23 LEU 8.342 1.274 19 6 "[ **. * 1* - . +2]"
2 24 LEU 16.936 1.256 13 8 "[ * .-** * + .** 2]"
2 25 LEU 3.880 0.978 9 1 "[ . +1 . 2]"
2 26 GLU 2.652 0.670 9 1 "[ . +1 . 2]"
2 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 GLN 1.675 0.396 17 0 "[ . 1 . 2]"
2 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 GLU 2.689 0.405 9 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 55 SER H 1 55 SER HA . . 2.840 2.749 2.737 2.767 . 0 0 "[ . 1 . 2]" 1
2 1 55 SER H 1 58 ARG HB2 . . 4.580 3.718 3.342 4.273 . 0 0 "[ . 1 . 2]" 1
3 1 55 SER H 1 55 SER QB . . 3.010 2.262 2.070 2.872 . 0 0 "[ . 1 . 2]" 1
4 1 63 GLU HA 1 66 THR H . . 3.590 3.411 3.346 3.498 . 0 0 "[ . 1 . 2]" 1
5 1 62 GLN HA 1 66 THR H . . 4.440 4.197 4.012 4.347 . 0 0 "[ . 1 . 2]" 1
6 1 66 THR H 1 66 THR HB . . 2.940 2.632 2.486 2.834 . 0 0 "[ . 1 . 2]" 1
7 1 65 MET HB3 1 66 THR H . . 4.070 3.504 2.960 3.924 . 0 0 "[ . 1 . 2]" 1
8 1 65 MET HB2 1 66 THR H . . 3.970 4.089 4.013 4.192 0.222 5 0 "[ . 1 . 2]" 1
9 1 66 THR H 1 68 GLY H . . 3.940 3.363 3.301 3.467 . 0 0 "[ . 1 . 2]" 1
10 1 66 THR H 1 67 ARG H . . 2.630 2.115 2.086 2.192 . 0 0 "[ . 1 . 2]" 1
11 1 64 VAL HA 1 66 THR H . . 4.180 4.136 4.113 4.161 . 0 0 "[ . 1 . 2]" 1
12 1 65 MET H 1 66 THR H . . 2.900 2.243 2.202 2.292 . 0 0 "[ . 1 . 2]" 1
13 1 65 MET HA 1 66 THR H . . 3.600 3.394 3.380 3.407 . 0 0 "[ . 1 . 2]" 1
14 1 66 THR H 1 66 THR HA . . 3.060 2.885 2.875 2.889 . 0 0 "[ . 1 . 2]" 1
15 1 98 SER H 1 98 SER HB3 . . 3.160 2.811 2.126 3.499 0.339 20 0 "[ . 1 . 2]" 1
16 1 98 SER H 1 98 SER HB2 . . 3.290 2.820 2.100 3.806 0.516 17 1 "[ . 1 . + 2]" 1
17 1 98 SER H 1 98 SER HA . . 2.900 2.790 2.585 2.890 . 0 0 "[ . 1 . 2]" 1
18 1 104 PHE H 1 104 PHE HA . . 2.890 2.874 2.867 2.881 . 0 0 "[ . 1 . 2]" 1
19 1 94 CYS H 1 104 PHE H . . 3.420 3.329 2.864 3.448 0.028 9 0 "[ . 1 . 2]" 1
20 1 104 PHE H 1 104 PHE QB . . 3.590 3.086 3.027 3.120 . 0 0 "[ . 1 . 2]" 1
21 1 104 PHE H 1 105 ILE HA . . 4.770 4.792 4.747 4.836 0.066 20 0 "[ . 1 . 2]" 1
22 1 111 ILE HB 1 112 ASP H . . 4.230 3.926 3.869 4.028 . 0 0 "[ . 1 . 2]" 1
23 1 112 ASP H 1 112 ASP HB3 . . 2.820 2.950 2.900 2.978 0.158 16 0 "[ . 1 . 2]" 1
24 1 112 ASP H 1 112 ASP HB2 . . 2.990 2.935 2.882 2.977 . 0 0 "[ . 1 . 2]" 1
25 1 112 ASP H 1 113 ARG H . . 4.440 4.194 4.089 4.311 . 0 0 "[ . 1 . 2]" 1
26 1 111 ILE H 1 112 ASP H . . 4.680 4.567 4.532 4.584 . 0 0 "[ . 1 . 2]" 1
27 1 112 ASP H 1 112 ASP HA . . 2.890 2.875 2.869 2.881 . 0 0 "[ . 1 . 2]" 1
28 1 111 ILE HA 1 112 ASP H . . 2.400 2.188 2.156 2.206 . 0 0 "[ . 1 . 2]" 1
29 1 64 VAL H 1 66 THR H . . 4.110 3.988 3.899 4.094 . 0 0 "[ . 1 . 2]" 1
30 1 63 GLU HA 1 64 VAL H . . 3.580 3.467 3.456 3.482 . 0 0 "[ . 1 . 2]" 1
31 1 62 GLN HA 1 64 VAL H . . 4.500 4.436 4.339 4.491 . 0 0 "[ . 1 . 2]" 1
32 1 61 PHE HA 1 64 VAL H . . 3.510 3.370 3.250 3.479 . 0 0 "[ . 1 . 2]" 1
33 1 62 GLN H 1 64 VAL H . . 4.270 4.117 4.011 4.292 0.022 1 0 "[ . 1 . 2]" 1
34 1 64 VAL H 1 67 ARG H . . 4.720 4.520 4.474 4.654 . 0 0 "[ . 1 . 2]" 1
35 1 60 LEU HA 1 64 VAL H . . 4.030 3.836 3.681 4.044 0.014 16 0 "[ . 1 . 2]" 1
36 1 64 VAL H 1 64 VAL HA . . 2.970 2.820 2.801 2.827 . 0 0 "[ . 1 . 2]" 1
37 1 64 VAL H 1 64 VAL HB . . 2.600 2.346 2.173 2.518 . 0 0 "[ . 1 . 2]" 1
38 1 108 ILE H 1 108 ILE HB . . 3.630 3.589 3.554 3.614 . 0 0 "[ . 1 . 2]" 1
39 1 107 GLY H 1 108 ILE H . . 4.550 4.228 4.144 4.267 . 0 0 "[ . 1 . 2]" 1
40 1 108 ILE H 1 108 ILE HA . . 2.880 2.856 2.853 2.859 . 0 0 "[ . 1 . 2]" 1
41 1 107 GLY QA 1 108 ILE H . . 2.780 2.134 2.125 2.149 . 0 0 "[ . 1 . 2]" 1
42 1 10 MET HA 1 108 ILE H . . 5.070 4.790 4.697 4.893 . 0 0 "[ . 1 . 2]" 1
43 1 14 ASP HB3 1 15 THR H . . 2.450 2.676 2.484 3.428 0.978 17 4 "[ . * - * . + 2]" 1
44 1 15 THR H 1 15 THR HB . . 3.850 2.958 2.351 3.545 . 0 0 "[ . 1 . 2]" 1
45 1 15 THR H 1 15 THR HA . . 2.860 2.794 2.772 2.807 . 0 0 "[ . 1 . 2]" 1
46 1 15 THR H 1 104 PHE HA . . 4.400 4.552 4.395 4.691 0.291 18 0 "[ . 1 . 2]" 1
47 1 14 ASP HA 1 15 THR H . . 2.820 2.646 2.600 2.670 . 0 0 "[ . 1 . 2]" 1
48 1 15 THR H 1 17 GLY H . . 4.400 4.368 4.238 4.543 0.143 20 0 "[ . 1 . 2]" 1
49 1 31 GLY H 1 32 ARG QB . . 7.260 4.607 4.432 4.837 . 0 0 "[ . 1 . 2]" 1
50 1 30 ALA H 1 31 GLY H . . 3.260 2.516 2.380 2.602 . 0 0 "[ . 1 . 2]" 1
51 1 29 ALA HA 1 31 GLY H . . 3.840 3.787 3.706 3.873 0.033 5 0 "[ . 1 . 2]" 1
52 1 30 ALA HA 1 31 GLY H . . 3.480 3.404 3.369 3.432 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 7 GLU H . . 3.930 2.591 1.880 4.001 0.071 7 0 "[ . 1 . 2]" 1
54 1 6 VAL H 1 6 VAL HA . . 2.850 2.734 2.249 2.895 0.045 3 0 "[ . 1 . 2]" 1
55 1 69 THR H 1 69 THR HA . . 3.000 2.815 2.790 2.837 . 0 0 "[ . 1 . 2]" 1
56 1 69 THR H 1 69 THR HB . . 3.410 3.215 2.995 3.470 0.060 2 0 "[ . 1 . 2]" 1
57 1 68 GLY H 1 69 THR H . . 3.020 2.400 2.346 2.463 . 0 0 "[ . 1 . 2]" 1
58 1 69 THR H 1 70 ALA H . . 4.660 4.194 4.162 4.255 . 0 0 "[ . 1 . 2]" 1
59 1 69 THR H 1 70 ALA HA . . 4.920 4.876 4.792 5.011 0.091 2 0 "[ . 1 . 2]" 1
60 1 67 ARG HB2 1 69 THR H . . 3.460 2.439 2.371 2.479 . 0 0 "[ . 1 . 2]" 1
61 1 68 GLY HA3 1 69 THR H . . 3.300 3.214 3.171 3.252 . 0 0 "[ . 1 . 2]" 1
62 1 55 SER H 1 58 ARG H . . 4.400 4.404 4.271 4.423 0.023 5 0 "[ . 1 . 2]" 1
63 1 58 ARG H 1 58 ARG HB3 . . 3.160 2.694 2.226 3.122 . 0 0 "[ . 1 . 2]" 1
64 1 58 ARG H 1 58 ARG HB2 . . 3.090 2.372 2.084 2.837 . 0 0 "[ . 1 . 2]" 1
65 1 57 ALA HA 1 58 ARG H . . 3.520 3.461 3.448 3.466 . 0 0 "[ . 1 . 2]" 1
66 1 58 ARG H 1 58 ARG HA . . 2.880 2.779 2.769 2.795 . 0 0 "[ . 1 . 2]" 1
67 1 58 ARG H 1 61 PHE H . . 4.980 4.689 4.561 4.768 . 0 0 "[ . 1 . 2]" 1
68 1 58 ARG H 1 59 GLN H . . 2.870 2.694 2.627 2.742 . 0 0 "[ . 1 . 2]" 1
69 1 56 TYR H 1 58 ARG H . . 4.310 4.234 4.157 4.289 . 0 0 "[ . 1 . 2]" 1
70 1 58 ARG H 1 60 LEU H . . 4.510 4.152 4.054 4.219 . 0 0 "[ . 1 . 2]" 1
71 1 47 PHE HA 1 58 ARG H . . 4.460 4.525 4.394 4.623 0.163 9 0 "[ . 1 . 2]" 1
72 1 63 GLU H 1 66 THR H . . 4.970 4.649 4.538 4.743 . 0 0 "[ . 1 . 2]" 1
73 1 63 GLU H 1 63 GLU HA . . 2.930 2.827 2.804 2.843 . 0 0 "[ . 1 . 2]" 1
74 1 61 PHE HA 1 63 GLU H . . 4.360 4.240 4.109 4.355 . 0 0 "[ . 1 . 2]" 1
75 1 63 GLU H 1 64 VAL H . . 2.800 2.488 2.420 2.598 . 0 0 "[ . 1 . 2]" 1
76 1 59 GLN HA 1 63 GLU H . . 4.350 4.300 4.168 4.395 0.045 16 0 "[ . 1 . 2]" 1
77 1 62 GLN H 1 63 GLU H . . 2.950 2.673 2.566 2.815 . 0 0 "[ . 1 . 2]" 1
78 1 60 LEU H 1 63 GLU H . . 4.870 4.842 4.780 4.916 0.046 16 0 "[ . 1 . 2]" 1
79 1 60 LEU HA 1 63 GLU H . . 3.520 3.495 3.388 3.612 0.092 2 0 "[ . 1 . 2]" 1
80 1 63 GLU H 1 65 MET H . . 4.240 3.753 3.668 3.842 . 0 0 "[ . 1 . 2]" 1
81 1 63 GLU H 1 63 GLU HB3 . . 2.590 2.472 2.396 2.581 . 0 0 "[ . 1 . 2]" 1
82 1 63 GLU H 1 63 GLU HB2 . . 2.650 2.596 2.475 2.656 0.006 1 0 "[ . 1 . 2]" 1
83 1 33 THR H 1 33 THR HA . . 2.900 2.775 2.754 2.789 . 0 0 "[ . 1 . 2]" 1
84 1 32 ARG QB 1 33 THR H . . 5.450 3.580 3.344 3.804 . 0 0 "[ . 1 . 2]" 1
85 1 32 ARG H 1 33 THR H . . 4.290 4.315 4.258 4.375 0.085 5 0 "[ . 1 . 2]" 1
86 1 9 PHE H 1 9 PHE HB3 . . 3.560 3.535 3.371 3.701 0.141 5 0 "[ . 1 . 2]" 1
87 1 9 PHE H 1 9 PHE HB2 . . 4.170 3.859 3.738 3.940 . 0 0 "[ . 1 . 2]" 1
88 1 8 SER HA 1 9 PHE H . . 2.620 2.499 2.447 2.590 . 0 0 "[ . 1 . 2]" 1
89 1 8 SER QB 1 9 PHE H . . 2.670 2.228 2.014 2.633 . 0 0 "[ . 1 . 2]" 1
90 1 9 PHE H 1 9 PHE HA . . 2.900 2.803 2.778 2.832 . 0 0 "[ . 1 . 2]" 1
91 1 9 PHE H 1 110 ILE HA . . 4.280 3.959 3.868 4.061 . 0 0 "[ . 1 . 2]" 1
92 1 9 PHE H 1 108 ILE HA . . 4.780 4.902 4.857 4.947 0.167 20 0 "[ . 1 . 2]" 1
93 1 8 SER H 1 9 PHE H . . 4.630 4.380 4.370 4.394 . 0 0 "[ . 1 . 2]" 1
94 1 9 PHE H 1 109 HIS H . . 3.040 3.017 2.945 3.097 0.057 1 0 "[ . 1 . 2]" 1
95 1 9 PHE H 1 10 MET HA . . 4.920 4.655 4.614 4.696 . 0 0 "[ . 1 . 2]" 1
96 1 39 VAL H 1 39 VAL HB . . 2.900 2.452 2.414 2.485 . 0 0 "[ . 1 . 2]" 1
97 1 39 VAL H 1 39 VAL HA . . 2.900 2.788 2.783 2.793 . 0 0 "[ . 1 . 2]" 1
98 1 37 ASP HA 1 39 VAL H . . 4.500 4.312 4.221 4.436 . 0 0 "[ . 1 . 2]" 1
99 1 36 GLU HA 1 39 VAL H . . 3.400 3.529 3.487 3.596 0.196 5 0 "[ . 1 . 2]" 1
100 1 35 TRP HA 1 39 VAL H . . 4.330 3.923 3.795 3.986 . 0 0 "[ . 1 . 2]" 1
101 1 39 VAL H 1 40 ARG H . . 2.900 2.665 2.633 2.709 . 0 0 "[ . 1 . 2]" 1
102 1 37 ASP H 1 39 VAL H . . 4.300 4.003 3.932 4.097 . 0 0 "[ . 1 . 2]" 1
103 1 38 LEU H 1 39 VAL H . . 2.960 2.564 2.524 2.585 . 0 0 "[ . 1 . 2]" 1
104 1 38 LEU HA 1 39 VAL H . . 3.480 3.449 3.434 3.464 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLU H 1 8 SER QB . . 5.040 4.667 4.273 4.971 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU H 1 7 GLU QB . . 2.570 2.442 2.107 2.604 0.034 4 0 "[ . 1 . 2]" 1
107 1 114 GLU H 1 114 GLU HB3 . . 3.020 2.772 2.326 3.401 0.381 7 0 "[ . 1 . 2]" 1
108 1 114 GLU H 1 114 GLU HB2 . . 2.990 2.370 2.136 2.995 0.005 7 0 "[ . 1 . 2]" 1
109 1 114 GLU H 1 114 GLU HA . . 2.800 2.770 2.721 2.859 0.059 13 0 "[ . 1 . 2]" 1
110 1 86 SER HA 1 87 ALA H . . 2.500 2.280 2.255 2.316 . 0 0 "[ . 1 . 2]" 1
111 1 87 ALA H 1 87 ALA HA . . 2.900 2.866 2.855 2.887 . 0 0 "[ . 1 . 2]" 1
112 1 75 TYR HA 1 87 ALA H . . 5.070 4.659 4.589 4.707 . 0 0 "[ . 1 . 2]" 1
113 1 74 SER HA 1 87 ALA H . . 4.200 4.028 3.905 4.116 . 0 0 "[ . 1 . 2]" 1
114 1 110 ILE H 1 110 ILE HA . . 2.890 2.871 2.862 2.877 . 0 0 "[ . 1 . 2]" 1
115 1 110 ILE H 1 110 ILE HB . . 2.720 2.619 2.482 3.131 0.411 15 0 "[ . 1 . 2]" 1
116 1 109 HIS H 1 110 ILE H . . 4.440 4.251 4.214 4.304 . 0 0 "[ . 1 . 2]" 1
117 1 110 ILE H 1 111 ILE HA . . 5.070 5.061 5.006 5.124 0.054 11 0 "[ . 1 . 2]" 1
118 1 64 VAL HA 1 68 GLY H . . 3.350 2.564 2.392 2.726 . 0 0 "[ . 1 . 2]" 1
119 1 67 ARG HB2 1 68 GLY H . . 3.050 2.980 2.906 3.062 0.012 12 0 "[ . 1 . 2]" 1
120 1 68 GLY H 1 68 GLY HA3 . . 2.600 2.876 2.874 2.878 0.278 8 0 "[ . 1 . 2]" 1
121 1 68 GLY H 1 68 GLY HA2 . . 2.960 2.333 2.331 2.334 . 0 0 "[ . 1 . 2]" 1
122 1 16 THR H 1 16 THR HB . . 3.910 3.553 3.367 3.691 . 0 0 "[ . 1 . 2]" 1
123 1 15 THR H 1 16 THR H . . 3.000 2.695 2.628 2.879 . 0 0 "[ . 1 . 2]" 1
124 1 16 THR H 1 16 THR HA . . 2.890 2.888 2.868 2.901 0.011 14 0 "[ . 1 . 2]" 1
125 1 14 ASP HA 1 16 THR H . . 4.500 3.940 3.869 4.050 . 0 0 "[ . 1 . 2]" 1
126 1 16 THR H 1 17 GLY H . . 2.530 2.318 2.002 2.475 . 0 0 "[ . 1 . 2]" 1
127 1 14 ASP H 1 14 ASP HB2 . . 2.910 2.536 2.242 3.534 0.624 17 4 "[ . * - * . + 2]" 1
128 1 14 ASP H 1 14 ASP HB3 . . 2.550 2.895 2.664 2.976 0.426 20 0 "[ . 1 . 2]" 1
129 1 14 ASP H 1 19 ILE HA . . 4.250 4.005 3.910 4.097 . 0 0 "[ . 1 . 2]" 1
130 1 14 ASP H 1 14 ASP HA . . 2.900 2.845 2.814 2.863 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASP H 1 20 ILE H . . 4.080 3.909 3.664 4.140 0.060 12 0 "[ . 1 . 2]" 1
132 1 13 GLN HA 1 14 ASP H . . 2.500 2.226 2.174 2.298 . 0 0 "[ . 1 . 2]" 1
133 1 14 ASP H 1 18 LYS HA . . 5.150 4.802 4.669 4.917 . 0 0 "[ . 1 . 2]" 1
134 1 22 ILE H 1 22 ILE HB . . 2.820 2.853 2.805 2.899 0.079 11 0 "[ . 1 . 2]" 1
135 1 22 ILE H 1 23 ASP H . . 4.440 4.301 4.236 4.372 . 0 0 "[ . 1 . 2]" 1
136 1 22 ILE H 1 22 ILE HA . . 2.890 2.838 2.824 2.857 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS H 1 22 ILE H . . 5.110 4.928 4.791 5.105 . 0 0 "[ . 1 . 2]" 1
138 1 21 SER HA 1 22 ILE H . . 2.480 2.432 2.344 2.475 . 0 0 "[ . 1 . 2]" 1
139 1 40 ARG H 1 40 ARG HA . . 2.890 2.789 2.779 2.794 . 0 0 "[ . 1 . 2]" 1
140 1 40 ARG H 1 42 CYS H . . 4.300 4.310 4.188 4.337 0.037 12 0 "[ . 1 . 2]" 1
141 1 44 TYR H 1 44 TYR HA . . 2.860 2.766 2.754 2.773 . 0 0 "[ . 1 . 2]" 1
142 1 44 TYR H 1 44 TYR HB2 . . 2.930 2.089 2.086 2.094 . 0 0 "[ . 1 . 2]" 1
143 1 44 TYR H 1 44 TYR HB3 . . 3.010 3.094 3.086 3.109 0.099 7 0 "[ . 1 . 2]" 1
144 1 43 ILE HB 1 44 TYR H . . 3.090 2.723 2.574 2.794 . 0 0 "[ . 1 . 2]" 1
145 1 40 ARG HA 1 44 TYR H . . 4.390 3.910 3.786 3.980 . 0 0 "[ . 1 . 2]" 1
146 1 43 ILE HA 1 44 TYR H . . 3.490 3.429 3.415 3.455 . 0 0 "[ . 1 . 2]" 1
147 1 42 CYS HA 1 44 TYR H . . 4.640 4.348 4.264 4.529 . 0 0 "[ . 1 . 2]" 1
148 1 32 ARG H 1 32 ARG HA . . 2.900 2.904 2.899 2.906 0.006 8 0 "[ . 1 . 2]" 1
149 1 31 GLY H 1 32 ARG H . . 3.000 2.588 2.438 2.663 . 0 0 "[ . 1 . 2]" 1
150 1 86 SER H 1 87 ALA H . . 4.640 4.489 4.404 4.537 . 0 0 "[ . 1 . 2]" 1
151 1 86 SER H 1 86 SER HA . . 2.900 2.891 2.864 2.899 . 0 0 "[ . 1 . 2]" 1
152 1 85 LEU H 1 86 SER H . . 4.680 4.449 4.407 4.472 . 0 0 "[ . 1 . 2]" 1
153 1 86 SER H 1 86 SER QB . . 3.680 2.924 2.348 3.228 . 0 0 "[ . 1 . 2]" 1
154 1 85 LEU HA 1 86 SER H . . 2.620 2.346 2.252 2.547 . 0 0 "[ . 1 . 2]" 1
155 1 26 SER H 1 26 SER QB . . 3.070 2.327 2.062 2.873 . 0 0 "[ . 1 . 2]" 1
156 1 26 SER H 1 26 SER HA . . 2.900 2.781 2.767 2.805 . 0 0 "[ . 1 . 2]" 1
157 1 106 MET QB 1 107 GLY H . . 3.440 3.294 3.182 3.356 . 0 0 "[ . 1 . 2]" 1
158 1 106 MET H 1 107 GLY H . . 4.640 4.451 4.410 4.505 . 0 0 "[ . 1 . 2]" 1
159 1 106 MET HA 1 107 GLY H . . 2.330 2.145 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
160 1 10 MET HA 1 107 GLY H . . 4.710 4.722 4.644 4.780 0.070 19 0 "[ . 1 . 2]" 1
161 1 104 PHE H 1 105 ILE H . . 4.680 4.465 4.442 4.486 . 0 0 "[ . 1 . 2]" 1
162 1 104 PHE HA 1 105 ILE H . . 2.650 2.318 2.280 2.365 . 0 0 "[ . 1 . 2]" 1
163 1 105 ILE H 1 106 MET H . . 4.520 4.429 4.376 4.498 . 0 0 "[ . 1 . 2]" 1
164 1 105 ILE H 1 105 ILE HB . . 2.730 2.343 2.287 2.441 . 0 0 "[ . 1 . 2]" 1
165 1 104 PHE QB 1 105 ILE H . . 2.680 2.582 2.464 2.673 . 0 0 "[ . 1 . 2]" 1
166 1 105 ILE H 1 105 ILE HA . . 2.870 2.870 2.865 2.877 0.007 8 0 "[ . 1 . 2]" 1
167 1 72 SER H 1 72 SER QB . . 2.810 2.603 2.189 2.884 0.074 2 0 "[ . 1 . 2]" 1
168 1 72 SER H 1 90 ARG H . . 5.160 4.868 4.645 5.205 0.045 18 0 "[ . 1 . 2]" 1
169 1 72 SER H 1 72 SER HA . . 2.900 2.872 2.843 2.895 . 0 0 "[ . 1 . 2]" 1
170 1 71 SER HA 1 72 SER H . . 2.430 2.203 2.149 2.336 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLN H 1 13 GLN QB . . 3.170 2.379 2.357 2.499 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLN H 1 105 ILE H . . 2.970 2.913 2.782 2.984 0.014 12 0 "[ . 1 . 2]" 1
173 1 13 GLN H 1 105 ILE HA . . 4.820 4.553 4.470 4.630 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLN H 1 13 GLN HA . . 2.880 2.896 2.889 2.898 0.018 11 0 "[ . 1 . 2]" 1
175 1 12 LYS H 1 13 GLN H . . 4.530 4.281 4.245 4.349 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HA 1 13 GLN H . . 2.340 2.149 2.145 2.184 . 0 0 "[ . 1 . 2]" 1
177 1 37 ASP H 1 37 ASP QB . . 3.220 2.202 2.058 2.483 . 0 0 "[ . 1 . 2]" 1
178 1 37 ASP H 1 37 ASP HA . . 2.940 2.786 2.784 2.795 . 0 0 "[ . 1 . 2]" 1
179 1 36 GLU HA 1 37 ASP H . . 3.500 3.472 3.468 3.476 . 0 0 "[ . 1 . 2]" 1
180 1 35 TRP HA 1 37 ASP H . . 4.270 4.247 4.205 4.264 . 0 0 "[ . 1 . 2]" 1
181 1 74 SER QB 1 75 TYR H . . 4.010 3.526 3.390 3.830 . 0 0 "[ . 1 . 2]" 1
182 1 75 TYR H 1 87 ALA H . . 2.860 2.942 2.900 2.983 0.123 5 0 "[ . 1 . 2]" 1
183 1 75 TYR H 1 87 ALA HA . . 4.940 4.784 4.720 4.912 . 0 0 "[ . 1 . 2]" 1
184 1 75 TYR H 1 76 ARG H . . 4.640 4.574 4.542 4.602 . 0 0 "[ . 1 . 2]" 1
185 1 75 TYR H 1 75 TYR HB3 . . 3.600 3.340 3.036 3.521 . 0 0 "[ . 1 . 2]" 1
186 1 75 TYR H 1 75 TYR HB2 . . 4.020 3.339 3.085 3.564 . 0 0 "[ . 1 . 2]" 1
187 1 75 TYR H 1 75 TYR HA . . 2.900 2.887 2.872 2.893 . 0 0 "[ . 1 . 2]" 1
188 1 75 TYR H 1 88 HIS HA . . 4.790 3.666 3.548 3.792 . 0 0 "[ . 1 . 2]" 1
189 1 74 SER HA 1 75 TYR H . . 2.400 2.132 2.128 2.142 . 0 0 "[ . 1 . 2]" 1
190 1 19 ILE H 1 19 ILE HB . . 2.650 2.489 2.390 2.555 . 0 0 "[ . 1 . 2]" 1
191 1 18 LYS HB3 1 19 ILE H . . 4.320 3.470 3.329 3.673 . 0 0 "[ . 1 . 2]" 1
192 1 19 ILE H 1 19 ILE HA . . 2.900 2.834 2.821 2.845 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLN HA 1 19 ILE H . . 4.750 4.766 4.639 4.847 0.097 12 0 "[ . 1 . 2]" 1
194 1 18 LYS H 1 19 ILE H . . 4.810 4.602 4.567 4.624 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE HB 1 23 ASP H . . 4.200 4.026 3.941 4.125 . 0 0 "[ . 1 . 2]" 1
196 1 23 ASP H 1 23 ASP HB3 . . 2.960 2.758 2.476 3.056 0.096 17 0 "[ . 1 . 2]" 1
197 1 23 ASP H 1 23 ASP HB2 . . 3.130 2.671 2.425 2.979 . 0 0 "[ . 1 . 2]" 1
198 1 23 ASP H 1 24 THR HA . . 4.910 5.030 4.979 5.091 0.181 4 0 "[ . 1 . 2]" 1
199 1 22 ILE HA 1 23 ASP H . . 2.490 2.171 2.135 2.208 . 0 0 "[ . 1 . 2]" 1
200 1 23 ASP H 1 24 THR H . . 4.360 4.308 4.263 4.411 0.051 14 0 "[ . 1 . 2]" 1
201 1 23 ASP H 1 23 ASP HA . . 3.130 2.885 2.876 2.889 . 0 0 "[ . 1 . 2]" 1
202 1 79 LEU H 1 82 GLY H . . 4.620 3.932 3.814 4.003 . 0 0 "[ . 1 . 2]" 1
203 1 79 LEU HB2 1 82 GLY H . . 3.970 3.610 3.458 3.675 . 0 0 "[ . 1 . 2]" 1
204 1 82 GLY H 1 82 GLY HA2 . . 2.550 2.287 2.282 2.302 . 0 0 "[ . 1 . 2]" 1
205 1 82 GLY H 1 82 GLY HA3 . . 3.140 2.831 2.823 2.849 . 0 0 "[ . 1 . 2]" 1
206 1 81 ASP HA 1 82 GLY H . . 3.360 3.090 3.075 3.153 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLY H 1 17 GLY HA3 . . 3.140 2.807 2.792 2.870 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLY H 1 17 GLY HA2 . . 2.560 2.278 2.272 2.324 . 0 0 "[ . 1 . 2]" 1
209 1 15 THR HA 1 17 GLY H . . 3.440 3.489 3.431 3.681 0.241 20 0 "[ . 1 . 2]" 1
210 1 16 THR HA 1 17 GLY H . . 3.570 3.154 3.099 3.302 . 0 0 "[ . 1 . 2]" 1
211 1 87 ALA HA 1 88 HIS H . . 2.560 2.416 2.358 2.462 . 0 0 "[ . 1 . 2]" 1
212 1 88 HIS H 1 88 HIS HB3 . . 3.360 3.547 2.554 3.758 0.398 16 0 "[ . 1 . 2]" 1
213 1 88 HIS H 1 88 HIS HB2 . . 3.690 3.199 2.346 3.806 0.116 12 0 "[ . 1 . 2]" 1
214 1 88 HIS H 1 88 HIS HA . . 2.900 2.895 2.889 2.903 0.003 2 0 "[ . 1 . 2]" 1
215 1 74 SER HA 1 88 HIS H . . 4.780 4.752 4.464 4.947 0.167 18 0 "[ . 1 . 2]" 1
216 1 50 GLN HB2 1 51 GLY H . . 4.480 4.585 4.548 4.601 0.121 10 0 "[ . 1 . 2]" 1
217 1 50 GLN HB3 1 51 GLY H . . 4.140 4.151 3.947 4.217 0.077 6 0 "[ . 1 . 2]" 1
218 1 51 GLY H 1 51 GLY HA3 . . 3.110 2.711 2.350 2.755 . 0 0 "[ . 1 . 2]" 1
219 1 51 GLY H 1 51 GLY HA2 . . 3.080 2.284 2.266 2.547 . 0 0 "[ . 1 . 2]" 1
220 1 50 GLN HA 1 51 GLY H . . 2.410 2.303 2.197 2.388 . 0 0 "[ . 1 . 2]" 1
221 1 8 SER H 1 8 SER QB . . 3.570 3.276 2.872 3.381 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLU H 1 8 SER H . . 4.630 4.313 3.924 4.566 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLU HA 1 8 SER H . . 2.380 2.185 2.156 2.253 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLU QB 1 8 SER H . . 4.520 3.429 2.949 3.740 . 0 0 "[ . 1 . 2]" 1
225 1 29 ALA H 1 30 ALA H . . 3.400 2.454 2.375 2.548 . 0 0 "[ . 1 . 2]" 1
226 1 28 ARG H 1 29 ALA H . . 2.800 2.606 2.523 2.667 . 0 0 "[ . 1 . 2]" 1
227 1 29 ALA H 1 29 ALA HA . . 2.930 2.828 2.797 2.848 . 0 0 "[ . 1 . 2]" 1
228 1 27 LEU HA 1 29 ALA H . . 4.430 3.887 3.704 4.018 . 0 0 "[ . 1 . 2]" 1
229 1 28 ARG HA 1 29 ALA H . . 3.520 3.401 3.377 3.427 . 0 0 "[ . 1 . 2]" 1
230 1 132 ARG H 1 132 ARG HB3 . . 3.700 3.107 2.454 3.699 . 0 0 "[ . 1 . 2]" 1
231 1 132 ARG H 1 132 ARG HB2 . . 3.790 2.808 2.084 3.542 . 0 0 "[ . 1 . 2]" 1
232 1 61 PHE H 1 61 PHE HA . . 2.870 2.778 2.761 2.794 . 0 0 "[ . 1 . 2]" 1
233 1 59 GLN HA 1 61 PHE H . . 4.360 4.230 4.074 4.351 . 0 0 "[ . 1 . 2]" 1
234 1 61 PHE H 1 61 PHE HB2 . . 3.050 2.188 2.073 2.975 . 0 0 "[ . 1 . 2]" 1
235 1 61 PHE H 1 61 PHE HB3 . . 3.180 3.042 2.147 3.303 0.123 19 0 "[ . 1 . 2]" 1
236 1 60 LEU H 1 61 PHE H . . 2.910 2.581 2.449 2.661 . 0 0 "[ . 1 . 2]" 1
237 1 60 LEU HA 1 61 PHE H . . 3.590 3.439 3.395 3.462 . 0 0 "[ . 1 . 2]" 1
238 1 60 LEU QB 1 61 PHE H . . 3.410 2.773 2.675 2.945 . 0 0 "[ . 1 . 2]" 1
239 1 27 LEU H 1 27 LEU QB . . 3.180 2.415 2.274 2.557 . 0 0 "[ . 1 . 2]" 1
240 1 24 THR HA 1 27 LEU H . . 3.560 3.424 3.331 3.568 0.008 5 0 "[ . 1 . 2]" 1
241 1 26 SER H 1 27 LEU H . . 2.790 2.675 2.523 2.712 . 0 0 "[ . 1 . 2]" 1
242 1 27 LEU H 1 28 ARG H . . 2.820 2.715 2.628 2.766 . 0 0 "[ . 1 . 2]" 1
243 1 27 LEU H 1 27 LEU HA . . 2.900 2.756 2.746 2.784 . 0 0 "[ . 1 . 2]" 1
244 1 130 ILE H 1 130 ILE HA . . 2.830 2.597 2.221 2.847 0.017 9 0 "[ . 1 . 2]" 1
245 1 118 LEU H 1 118 LEU HB3 . . 3.260 2.910 2.078 3.417 0.157 3 0 "[ . 1 . 2]" 1
246 1 118 LEU H 1 118 LEU HB2 . . 3.080 2.554 2.091 3.289 0.209 7 0 "[ . 1 . 2]" 1
247 1 117 GLY QA 1 118 LEU H . . 5.180 2.267 2.114 2.718 . 0 0 "[ . 1 . 2]" 1
248 1 118 LEU H 1 118 LEU HA . . 2.900 2.785 2.285 2.895 . 0 0 "[ . 1 . 2]" 1
249 1 44 TYR HA 1 45 ALA H . . 3.500 3.462 3.456 3.466 . 0 0 "[ . 1 . 2]" 1
250 1 44 TYR HB2 1 45 ALA H . . 3.210 3.279 3.260 3.300 0.090 6 0 "[ . 1 . 2]" 1
251 1 44 TYR HB3 1 45 ALA H . . 3.050 2.793 2.757 2.852 . 0 0 "[ . 1 . 2]" 1
252 1 43 ILE HA 1 45 ALA H . . 4.360 4.240 4.189 4.277 . 0 0 "[ . 1 . 2]" 1
253 1 44 TYR H 1 45 ALA H . . 2.940 2.699 2.670 2.733 . 0 0 "[ . 1 . 2]" 1
254 1 45 ALA H 1 47 PHE H . . 4.800 4.067 3.924 4.165 . 0 0 "[ . 1 . 2]" 1
255 1 45 ALA H 1 45 ALA HA . . 2.930 2.825 2.812 2.834 . 0 0 "[ . 1 . 2]" 1
256 1 42 CYS HA 1 45 ALA H . . 3.590 3.590 3.560 3.620 0.030 20 0 "[ . 1 . 2]" 1
257 1 42 CYS H 1 42 CYS HB3 . . 2.990 2.389 2.211 2.563 . 0 0 "[ . 1 . 2]" 1
258 1 42 CYS H 1 42 CYS HB2 . . 3.110 2.626 2.442 2.846 . 0 0 "[ . 1 . 2]" 1
259 1 39 VAL H 1 42 CYS H . . 4.810 4.776 4.641 4.826 0.016 7 0 "[ . 1 . 2]" 1
260 1 42 CYS H 1 44 TYR H . . 4.300 4.109 4.056 4.201 . 0 0 "[ . 1 . 2]" 1
261 1 42 CYS H 1 42 CYS HA . . 2.830 2.760 2.752 2.776 . 0 0 "[ . 1 . 2]" 1
262 1 41 LYS HA 1 42 CYS H . . 3.490 3.491 3.481 3.495 0.005 20 0 "[ . 1 . 2]" 1
263 1 128 MET H 1 128 MET HA . . 2.630 2.580 2.254 2.733 0.103 20 0 "[ . 1 . 2]" 1
264 1 83 THR H 1 84 MET H . . 4.740 4.569 4.547 4.586 . 0 0 "[ . 1 . 2]" 1
265 1 79 LEU H 1 83 THR H . . 4.140 3.250 3.131 3.384 . 0 0 "[ . 1 . 2]" 1
266 1 79 LEU HB2 1 83 THR H . . 3.040 2.707 2.605 2.788 . 0 0 "[ . 1 . 2]" 1
267 1 82 GLY HA2 1 83 THR H . . 3.560 3.197 3.161 3.233 . 0 0 "[ . 1 . 2]" 1
268 1 82 GLY HA3 1 83 THR H . . 3.520 3.240 3.204 3.274 . 0 0 "[ . 1 . 2]" 1
269 1 83 THR H 1 83 THR HB . . 2.760 2.488 2.429 2.614 . 0 0 "[ . 1 . 2]" 1
270 1 83 THR H 1 83 THR HA . . 2.830 2.801 2.780 2.822 . 0 0 "[ . 1 . 2]" 1
271 1 76 ARG H 1 76 ARG QB . . 3.200 2.930 2.503 2.989 . 0 0 "[ . 1 . 2]" 1
272 1 75 TYR HA 1 76 ARG H . . 2.510 2.286 2.201 2.338 . 0 0 "[ . 1 . 2]" 1
273 1 76 ARG H 1 76 ARG HA . . 2.900 2.902 2.897 2.904 0.004 9 0 "[ . 1 . 2]" 1
274 1 118 LEU H 1 119 SER H . . 3.080 2.706 1.901 3.116 0.036 9 0 "[ . 1 . 2]" 1
275 1 93 LEU H 1 93 LEU QB . . 2.680 2.181 2.124 2.241 . 0 0 "[ . 1 . 2]" 1
276 1 69 THR HA 1 93 LEU H . . 3.670 3.653 3.365 3.768 0.098 12 0 "[ . 1 . 2]" 1
277 1 92 LYS QB 1 93 LEU H . . 4.560 3.377 3.247 3.656 . 0 0 "[ . 1 . 2]" 1
278 1 93 LEU H 1 93 LEU HA . . 2.900 2.804 2.793 2.839 . 0 0 "[ . 1 . 2]" 1
279 1 92 LYS HA 1 93 LEU H . . 2.210 2.148 2.144 2.152 . 0 0 "[ . 1 . 2]" 1
280 1 68 GLY HA3 1 93 LEU H . . 4.260 4.199 3.983 4.384 0.124 8 0 "[ . 1 . 2]" 1
281 1 108 ILE H 1 109 HIS H . . 4.590 4.559 4.523 4.592 0.002 5 0 "[ . 1 . 2]" 1
282 1 108 ILE HA 1 109 HIS H . . 2.400 2.174 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
283 1 10 MET HA 1 109 HIS H . . 3.740 3.088 2.946 3.220 . 0 0 "[ . 1 . 2]" 1
284 1 43 ILE H 1 43 ILE HB . . 2.700 2.432 2.348 2.518 . 0 0 "[ . 1 . 2]" 1
285 1 40 ARG HA 1 43 ILE H . . 3.600 3.628 3.601 3.651 0.051 20 0 "[ . 1 . 2]" 1
286 1 43 ILE H 1 43 ILE HA . . 2.890 2.770 2.762 2.780 . 0 0 "[ . 1 . 2]" 1
287 1 43 ILE H 1 44 TYR H . . 2.970 2.640 2.609 2.718 . 0 0 "[ . 1 . 2]" 1
288 1 42 CYS HA 1 43 ILE H . . 3.500 3.474 3.463 3.482 . 0 0 "[ . 1 . 2]" 1
289 1 126 SER H 1 126 SER HA . . 2.720 2.683 2.251 2.735 0.015 20 0 "[ . 1 . 2]" 1
290 1 40 ARG HA 1 41 LYS H . . 3.500 3.476 3.466 3.479 . 0 0 "[ . 1 . 2]" 1
291 1 39 VAL H 1 41 LYS H . . 4.460 4.122 3.978 4.164 . 0 0 "[ . 1 . 2]" 1
292 1 40 ARG H 1 41 LYS H . . 2.950 2.653 2.640 2.671 . 0 0 "[ . 1 . 2]" 1
293 1 41 LYS H 1 42 CYS H . . 2.940 2.788 2.743 2.823 . 0 0 "[ . 1 . 2]" 1
294 1 41 LYS H 1 41 LYS HA . . 2.780 2.765 2.759 2.779 . 0 0 "[ . 1 . 2]" 1
295 1 41 LYS H 1 41 LYS HB3 . . 3.150 2.992 2.734 3.200 0.050 2 0 "[ . 1 . 2]" 1
296 1 41 LYS H 1 41 LYS HB2 . . 2.990 2.140 2.071 2.295 . 0 0 "[ . 1 . 2]" 1
297 1 38 LEU HA 1 41 LYS H . . 3.540 3.595 3.580 3.634 0.094 5 0 "[ . 1 . 2]" 1
298 1 74 SER H 1 74 SER QB . . 3.180 2.463 2.154 2.816 . 0 0 "[ . 1 . 2]" 1
299 1 74 SER H 1 75 TYR H . . 4.670 4.411 4.362 4.459 . 0 0 "[ . 1 . 2]" 1
300 1 74 SER H 1 74 SER HA . . 2.870 2.859 2.836 2.868 . 0 0 "[ . 1 . 2]" 1
301 1 77 PHE H 1 77 PHE HB3 . . 3.760 3.568 3.449 3.664 . 0 0 "[ . 1 . 2]" 1
302 1 77 PHE H 1 77 PHE HB2 . . 4.070 3.774 3.713 3.842 . 0 0 "[ . 1 . 2]" 1
303 1 77 PHE H 1 86 SER HA . . 3.560 3.537 3.321 3.629 0.069 8 0 "[ . 1 . 2]" 1
304 1 76 ARG QB 1 77 PHE H . . 2.590 2.730 2.656 2.777 0.187 2 0 "[ . 1 . 2]" 1
305 1 77 PHE H 1 77 PHE HA . . 2.860 2.826 2.817 2.837 . 0 0 "[ . 1 . 2]" 1
306 1 100 ASP H 1 100 ASP HB3 . . 3.210 3.060 2.481 3.337 0.127 19 0 "[ . 1 . 2]" 1
307 1 100 ASP H 1 100 ASP HB2 . . 3.160 2.680 2.081 3.301 0.141 18 0 "[ . 1 . 2]" 1
308 1 100 ASP H 1 100 ASP HA . . 2.900 2.715 2.238 2.890 . 0 0 "[ . 1 . 2]" 1
309 1 129 SER H 1 129 SER HA . . 2.860 2.700 2.253 2.823 . 0 0 "[ . 1 . 2]" 1
310 1 59 GLN H 1 59 GLN HA . . 2.830 2.765 2.757 2.776 . 0 0 "[ . 1 . 2]" 1
311 1 59 GLN H 1 60 LEU H . . 2.800 2.705 2.667 2.740 . 0 0 "[ . 1 . 2]" 1
312 1 56 TYR HA 1 59 GLN H . . 3.450 3.325 3.250 3.410 . 0 0 "[ . 1 . 2]" 1
313 1 59 GLN H 1 59 GLN HB3 . . 3.020 2.922 2.276 3.459 0.439 19 0 "[ . 1 . 2]" 1
314 1 59 GLN H 1 59 GLN HB2 . . 3.140 2.241 2.093 2.859 . 0 0 "[ . 1 . 2]" 1
315 1 102 GLN H 1 102 GLN HB3 . . 3.750 3.482 3.350 3.620 . 0 0 "[ . 1 . 2]" 1
316 1 102 GLN H 1 102 GLN HB2 . . 2.530 2.437 2.230 2.664 0.134 20 0 "[ . 1 . 2]" 1
317 1 102 GLN H 1 102 GLN HA . . 2.900 2.882 2.799 2.897 . 0 0 "[ . 1 . 2]" 1
318 1 121 GLN HB3 1 122 ASP H . . 4.350 4.188 3.796 4.538 0.188 5 0 "[ . 1 . 2]" 1
319 1 121 GLN HB2 1 122 ASP H . . 4.820 4.305 3.970 4.529 . 0 0 "[ . 1 . 2]" 1
320 1 122 ASP H 1 122 ASP HB3 . . 3.390 3.403 2.632 3.720 0.330 7 0 "[ . 1 . 2]" 1
321 1 122 ASP H 1 122 ASP HB2 . . 3.790 2.661 2.082 3.508 . 0 0 "[ . 1 . 2]" 1
322 1 122 ASP H 1 122 ASP HA . . 2.700 2.548 2.236 2.815 0.115 5 0 "[ . 1 . 2]" 1
323 1 121 GLN HA 1 122 ASP H . . 3.140 2.871 2.710 3.072 . 0 0 "[ . 1 . 2]" 1
324 1 85 LEU H 1 86 SER HA . . 4.980 4.817 4.743 4.858 . 0 0 "[ . 1 . 2]" 1
325 1 79 LEU H 1 85 LEU H . . 4.370 4.368 4.354 4.394 0.024 2 0 "[ . 1 . 2]" 1
326 1 85 LEU H 1 85 LEU QB . . 3.330 2.861 2.662 3.191 . 0 0 "[ . 1 . 2]" 1
327 1 77 PHE HA 1 85 LEU H . . 5.110 4.827 4.757 4.879 . 0 0 "[ . 1 . 2]" 1
328 1 85 LEU H 1 85 LEU HA . . 3.140 2.894 2.882 2.899 . 0 0 "[ . 1 . 2]" 1
329 1 84 MET HA 1 85 LEU H . . 2.380 2.136 2.133 2.141 . 0 0 "[ . 1 . 2]" 1
330 1 35 TRP HB2 1 36 GLU H . . 4.260 3.642 3.566 3.716 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLU H 1 36 GLU HA . . 2.940 2.761 2.752 2.771 . 0 0 "[ . 1 . 2]" 1
332 1 35 TRP HA 1 36 GLU H . . 3.500 3.461 3.452 3.468 . 0 0 "[ . 1 . 2]" 1
333 1 36 GLU H 1 37 ASP H . . 2.810 2.719 2.682 2.749 . 0 0 "[ . 1 . 2]" 1
334 1 36 GLU H 1 38 LEU H . . 4.240 4.232 4.116 4.267 0.027 6 0 "[ . 1 . 2]" 1
335 1 36 GLU H 1 36 GLU HB3 . . 3.100 3.073 2.949 3.183 0.083 17 0 "[ . 1 . 2]" 1
336 1 36 GLU H 1 36 GLU HB2 . . 3.250 2.104 2.073 2.153 . 0 0 "[ . 1 . 2]" 1
337 1 69 THR HA 1 70 ALA H . . 2.600 2.180 2.175 2.197 . 0 0 "[ . 1 . 2]" 1
338 1 69 THR HB 1 70 ALA H . . 4.080 4.007 3.666 4.065 . 0 0 "[ . 1 . 2]" 1
339 1 70 ALA H 1 71 SER H . . 4.580 4.397 4.344 4.434 . 0 0 "[ . 1 . 2]" 1
340 1 70 ALA H 1 91 CYS H . . 3.100 3.127 3.064 3.215 0.115 2 0 "[ . 1 . 2]" 1
341 1 70 ALA H 1 70 ALA HA . . 2.900 2.843 2.784 2.873 . 0 0 "[ . 1 . 2]" 1
342 1 123 ASP H 1 123 ASP HB3 . . 3.110 3.026 2.511 3.257 0.147 2 0 "[ . 1 . 2]" 1
343 1 123 ASP H 1 123 ASP HB2 . . 3.170 2.731 2.108 3.224 0.054 7 0 "[ . 1 . 2]" 1
344 1 123 ASP H 1 123 ASP HA . . 2.730 2.637 2.252 2.808 0.078 6 0 "[ . 1 . 2]" 1
345 1 121 GLN HA 1 123 ASP H . . 4.200 4.077 3.643 4.168 . 0 0 "[ . 1 . 2]" 1
346 1 121 GLN H 1 121 GLN HB3 . . 2.960 3.074 2.694 3.806 0.846 14 3 "[ . * 1 -+. 2]" 1
347 1 121 GLN H 1 121 GLN HB2 . . 3.890 2.650 2.243 3.685 . 0 0 "[ . 1 . 2]" 1
348 1 119 SER QB 1 121 GLN H . . 4.630 4.358 3.734 4.559 . 0 0 "[ . 1 . 2]" 1
349 1 94 CYS H 1 95 TYR H . . 4.630 4.276 4.176 4.441 . 0 0 "[ . 1 . 2]" 1
350 1 95 TYR H 1 95 TYR HB2 . . 3.810 3.400 3.077 3.662 . 0 0 "[ . 1 . 2]" 1
351 1 95 TYR H 1 95 TYR HB3 . . 2.980 3.397 3.157 3.685 0.705 18 8 "[ **** 1 * .* + -]" 1
352 1 94 CYS HA 1 95 TYR H . . 2.330 2.147 2.137 2.191 . 0 0 "[ . 1 . 2]" 1
353 1 95 TYR H 1 95 TYR HA . . 2.900 2.899 2.892 2.901 0.001 6 0 "[ . 1 . 2]" 1
354 1 113 ARG H 1 113 ARG HB3 . . 3.100 2.720 2.293 3.047 . 0 0 "[ . 1 . 2]" 1
355 1 113 ARG H 1 113 ARG HB2 . . 2.430 2.474 2.148 3.056 0.626 7 1 "[ . + 1 . 2]" 1
356 1 112 ASP HA 1 113 ARG H . . 2.300 2.124 2.116 2.146 . 0 0 "[ . 1 . 2]" 1
357 1 113 ARG H 1 113 ARG HA . . 2.900 2.850 2.789 2.900 . 0 0 "[ . 1 . 2]" 1
358 1 106 MET H 1 106 MET QB . . 2.640 2.422 2.356 2.496 . 0 0 "[ . 1 . 2]" 1
359 1 94 CYS H 1 106 MET H . . 4.220 4.101 3.504 4.237 0.017 19 0 "[ . 1 . 2]" 1
360 1 105 ILE HA 1 106 MET H . . 2.260 2.118 2.109 2.146 . 0 0 "[ . 1 . 2]" 1
361 1 93 LEU HA 1 106 MET H . . 4.090 3.618 3.240 3.935 . 0 0 "[ . 1 . 2]" 1
362 1 106 MET H 1 106 MET HA . . 2.900 2.879 2.876 2.889 . 0 0 "[ . 1 . 2]" 1
363 1 11 THR H 1 11 THR HB . . 3.980 3.733 3.571 3.790 . 0 0 "[ . 1 . 2]" 1
364 1 10 MET QB 1 11 THR H . . 3.050 2.633 2.423 3.096 0.046 6 0 "[ . 1 . 2]" 1
365 1 11 THR H 1 23 ASP H . . 5.130 4.588 4.467 4.750 . 0 0 "[ . 1 . 2]" 1
366 1 11 THR H 1 108 ILE HA . . 3.920 3.555 3.348 3.671 . 0 0 "[ . 1 . 2]" 1
367 1 11 THR H 1 11 THR HA . . 2.890 2.895 2.891 2.899 0.009 2 0 "[ . 1 . 2]" 1
368 1 10 MET HA 1 11 THR H . . 2.450 2.318 2.261 2.399 . 0 0 "[ . 1 . 2]" 1
369 1 44 TYR HA 1 46 PHE H . . 4.400 4.477 4.434 4.551 0.151 5 0 "[ . 1 . 2]" 1
370 1 46 PHE H 1 46 PHE HA . . 2.870 2.763 2.752 2.770 . 0 0 "[ . 1 . 2]" 1
371 1 43 ILE HA 1 46 PHE H . . 3.660 3.258 3.211 3.289 . 0 0 "[ . 1 . 2]" 1
372 1 45 ALA H 1 46 PHE H . . 2.950 2.480 2.426 2.532 . 0 0 "[ . 1 . 2]" 1
373 1 46 PHE H 1 48 GLN H . . 4.690 3.806 3.757 3.873 . 0 0 "[ . 1 . 2]" 1
374 1 45 ALA HA 1 46 PHE H . . 3.560 3.455 3.445 3.461 . 0 0 "[ . 1 . 2]" 1
375 1 46 PHE H 1 46 PHE HB3 . . 3.040 2.466 2.296 2.571 . 0 0 "[ . 1 . 2]" 1
376 1 46 PHE H 1 46 PHE HB2 . . 2.880 2.548 2.439 2.740 . 0 0 "[ . 1 . 2]" 1
377 1 84 MET H 1 84 MET HB2 . . 3.010 2.552 2.361 2.873 . 0 0 "[ . 1 . 2]" 1
378 1 84 MET H 1 84 MET HB3 . . 2.530 2.741 2.444 2.946 0.416 6 0 "[ . 1 . 2]" 1
379 1 83 THR HA 1 84 MET H . . 2.300 2.151 2.144 2.156 . 0 0 "[ . 1 . 2]" 1
380 1 84 MET H 1 84 MET HA . . 2.900 2.880 2.877 2.884 . 0 0 "[ . 1 . 2]" 1
381 1 78 ILE HA 1 84 MET H . . 4.950 4.709 4.630 4.811 . 0 0 "[ . 1 . 2]" 1
382 1 8 SER HA 1 111 ILE H . . 3.260 3.198 3.002 3.329 0.069 8 0 "[ . 1 . 2]" 1
383 1 111 ILE H 1 111 ILE HB . . 2.760 2.554 2.498 2.613 . 0 0 "[ . 1 . 2]" 1
384 1 110 ILE HA 1 111 ILE H . . 2.330 2.156 2.133 2.188 . 0 0 "[ . 1 . 2]" 1
385 1 111 ILE H 1 111 ILE HA . . 2.900 2.858 2.843 2.869 . 0 0 "[ . 1 . 2]" 1
386 1 71 SER H 1 72 SER H . . 4.420 4.267 4.187 4.391 . 0 0 "[ . 1 . 2]" 1
387 1 71 SER H 1 71 SER HB2 . . 4.120 3.660 2.909 3.906 . 0 0 "[ . 1 . 2]" 1
388 1 71 SER H 1 71 SER HB3 . . 3.700 3.522 2.976 3.909 0.209 13 0 "[ . 1 . 2]" 1
389 1 71 SER H 1 72 SER HA . . 4.760 4.610 4.564 4.659 . 0 0 "[ . 1 . 2]" 1
390 1 70 ALA HA 1 71 SER H . . 2.600 2.368 2.256 2.576 . 0 0 "[ . 1 . 2]" 1
391 1 71 SER H 1 71 SER HA . . 2.900 2.846 2.835 2.868 . 0 0 "[ . 1 . 2]" 1
392 1 24 THR H 1 24 THR HB . . 3.900 3.645 3.549 3.762 . 0 0 "[ . 1 . 2]" 1
393 1 23 ASP HB3 1 24 THR H . . 4.350 4.139 3.771 4.364 0.014 1 0 "[ . 1 . 2]" 1
394 1 23 ASP HB2 1 24 THR H . . 4.660 4.418 4.232 4.523 . 0 0 "[ . 1 . 2]" 1
395 1 23 ASP HA 1 24 THR H . . 2.370 2.122 2.117 2.138 . 0 0 "[ . 1 . 2]" 1
396 1 63 GLU HA 1 67 ARG H . . 4.370 3.727 3.629 3.908 . 0 0 "[ . 1 . 2]" 1
397 1 67 ARG H 1 69 THR H . . 4.170 3.606 3.524 3.730 . 0 0 "[ . 1 . 2]" 1
398 1 67 ARG H 1 68 GLY H . . 2.400 1.906 1.889 1.960 . 0 0 "[ . 1 . 2]" 1
399 1 64 VAL HA 1 67 ARG H . . 3.550 3.436 3.357 3.495 . 0 0 "[ . 1 . 2]" 1
400 1 65 MET H 1 67 ARG H . . 4.310 3.566 3.499 3.627 . 0 0 "[ . 1 . 2]" 1
401 1 67 ARG H 1 67 ARG HA . . 2.990 2.904 2.901 2.905 . 0 0 "[ . 1 . 2]" 1
402 1 67 ARG H 1 67 ARG HB2 . . 3.090 2.766 2.751 2.782 . 0 0 "[ . 1 . 2]" 1
403 1 67 ARG H 1 68 GLY HA3 . . 4.140 4.590 4.575 4.628 0.488 2 0 "[ . 1 . 2]" 1
404 1 67 ARG H 1 67 ARG HB3 . . 3.680 3.707 3.685 3.711 0.031 17 0 "[ . 1 . 2]" 1
405 1 65 MET HA 1 67 ARG H . . 4.320 4.287 4.268 4.308 . 0 0 "[ . 1 . 2]" 1
406 1 66 THR HA 1 67 ARG H . . 3.830 3.376 3.365 3.390 . 0 0 "[ . 1 . 2]" 1
407 1 92 LYS H 1 93 LEU H . . 4.110 4.080 3.949 4.206 0.096 9 0 "[ . 1 . 2]" 1
408 1 92 LYS H 1 106 MET H . . 3.240 2.881 2.626 2.976 . 0 0 "[ . 1 . 2]" 1
409 1 91 CYS HB3 1 92 LYS H . . 3.680 2.956 2.632 3.881 0.201 16 0 "[ . 1 . 2]" 1
410 1 116 SER H 1 116 SER HB3 . . 3.790 2.875 2.115 3.545 . 0 0 "[ . 1 . 2]" 1
411 1 116 SER H 1 116 SER HB2 . . 3.330 2.974 2.086 3.732 0.402 2 0 "[ . 1 . 2]" 1
412 1 116 SER H 1 116 SER HA . . 2.870 2.809 2.722 2.886 0.016 9 0 "[ . 1 . 2]" 1
413 1 25 SER H 1 25 SER HB3 . . 2.790 2.799 2.177 3.517 0.727 12 5 "[ * *. * 1 + . - 2]" 1
414 1 25 SER H 1 25 SER HB2 . . 3.860 2.572 2.089 3.510 . 0 0 "[ . 1 . 2]" 1
415 1 25 SER H 1 25 SER HA . . 2.910 2.750 2.722 2.766 . 0 0 "[ . 1 . 2]" 1
416 1 23 ASP HB3 1 25 SER H . . 4.520 4.044 3.615 4.530 0.010 1 0 "[ . 1 . 2]" 1
417 1 24 THR HA 1 25 SER H . . 3.300 2.975 2.912 3.109 . 0 0 "[ . 1 . 2]" 1
418 1 25 SER H 1 27 LEU H . . 4.490 4.473 4.297 4.533 0.043 20 0 "[ . 1 . 2]" 1
419 1 24 THR H 1 25 SER H . . 2.890 2.401 2.244 2.497 . 0 0 "[ . 1 . 2]" 1
420 1 23 ASP HA 1 25 SER H . . 3.700 3.478 3.323 3.692 . 0 0 "[ . 1 . 2]" 1
421 1 90 ARG H 1 90 ARG HB3 . . 4.010 3.858 3.827 3.879 . 0 0 "[ . 1 . 2]" 1
422 1 90 ARG H 1 90 ARG HB2 . . 2.930 2.943 2.913 2.976 0.046 6 0 "[ . 1 . 2]" 1
423 1 90 ARG H 1 90 ARG HA . . 2.900 2.880 2.857 2.891 . 0 0 "[ . 1 . 2]" 1
424 1 89 THR HB 1 90 ARG H . . 4.220 3.913 3.813 4.178 . 0 0 "[ . 1 . 2]" 1
425 1 71 SER HA 1 90 ARG H . . 4.950 4.716 4.575 4.955 0.005 18 0 "[ . 1 . 2]" 1
426 1 79 LEU H 1 79 LEU HB3 . . 3.820 3.534 3.526 3.543 . 0 0 "[ . 1 . 2]" 1
427 1 79 LEU H 1 79 LEU HB2 . . 2.760 2.436 2.405 2.470 . 0 0 "[ . 1 . 2]" 1
428 1 79 LEU H 1 79 LEU HA . . 2.860 2.839 2.835 2.849 . 0 0 "[ . 1 . 2]" 1
429 1 79 LEU H 1 80 ASN H . . 4.790 4.583 4.568 4.596 . 0 0 "[ . 1 . 2]" 1
430 1 78 ILE HA 1 79 LEU H . . 2.320 2.131 2.124 2.141 . 0 0 "[ . 1 . 2]" 1
431 1 93 LEU H 1 94 CYS H . . 4.670 4.585 4.389 4.618 . 0 0 "[ . 1 . 2]" 1
432 1 94 CYS H 1 94 CYS HB3 . . 3.940 3.776 3.483 3.817 . 0 0 "[ . 1 . 2]" 1
433 1 94 CYS H 1 94 CYS HB2 . . 2.810 2.769 2.455 2.822 0.012 17 0 "[ . 1 . 2]" 1
434 1 94 CYS H 1 94 CYS HA . . 2.900 2.885 2.879 2.900 . 0 0 "[ . 1 . 2]" 1
435 1 94 CYS H 1 105 ILE HA . . 3.570 3.200 2.969 3.482 . 0 0 "[ . 1 . 2]" 1
436 1 93 LEU HA 1 94 CYS H . . 2.360 2.170 2.143 2.190 . 0 0 "[ . 1 . 2]" 1
437 1 55 SER H 1 56 TYR H . . 4.890 4.661 4.652 4.667 . 0 0 "[ . 1 . 2]" 1
438 1 46 PHE HA 1 56 TYR H . . 4.470 4.459 4.348 4.501 0.031 8 0 "[ . 1 . 2]" 1
439 1 56 TYR H 1 56 TYR HB2 . . 3.350 2.163 2.124 2.230 . 0 0 "[ . 1 . 2]" 1
440 1 56 TYR H 1 56 TYR HB3 . . 3.170 3.403 3.363 3.451 0.281 2 0 "[ . 1 . 2]" 1
441 1 56 TYR H 1 56 TYR HA . . 2.890 2.769 2.739 2.786 . 0 0 "[ . 1 . 2]" 1
442 1 20 ILE H 1 20 ILE HB . . 3.950 3.401 2.875 3.652 . 0 0 "[ . 1 . 2]" 1
443 1 19 ILE HA 1 20 ILE H . . 2.410 2.117 2.109 2.137 . 0 0 "[ . 1 . 2]" 1
444 1 20 ILE H 1 20 ILE HA . . 2.900 2.865 2.858 2.872 . 0 0 "[ . 1 . 2]" 1
445 1 13 GLN HA 1 20 ILE H . . 2.610 2.675 2.357 2.787 0.177 4 0 "[ . 1 . 2]" 1
446 1 12 LYS H 1 20 ILE H . . 4.170 4.042 3.972 4.090 . 0 0 "[ . 1 . 2]" 1
447 1 59 GLN HA 1 60 LEU H . . 3.600 3.461 3.450 3.467 . 0 0 "[ . 1 . 2]" 1
448 1 57 ALA HA 1 60 LEU H . . 3.500 3.547 3.508 3.635 0.135 2 0 "[ . 1 . 2]" 1
449 1 56 TYR HA 1 60 LEU H . . 4.400 4.234 4.042 4.294 . 0 0 "[ . 1 . 2]" 1
450 1 60 LEU H 1 60 LEU HA . . 2.890 2.793 2.773 2.824 . 0 0 "[ . 1 . 2]" 1
451 1 60 LEU H 1 60 LEU QB . . 3.010 2.115 2.039 2.170 . 0 0 "[ . 1 . 2]" 1
452 1 69 THR HA 1 91 CYS H . . 4.900 4.931 4.823 5.012 0.112 16 0 "[ . 1 . 2]" 1
453 1 91 CYS H 1 92 LYS H . . 4.450 4.537 4.497 4.563 0.113 3 0 "[ . 1 . 2]" 1
454 1 90 ARG H 1 91 CYS H . . 4.250 4.284 4.158 4.382 0.132 8 0 "[ . 1 . 2]" 1
455 1 91 CYS H 1 91 CYS HB3 . . 3.560 3.512 2.954 3.676 0.116 2 0 "[ . 1 . 2]" 1
456 1 91 CYS H 1 91 CYS HB2 . . 4.120 2.560 2.326 3.629 . 0 0 "[ . 1 . 2]" 1
457 1 71 SER HA 1 91 CYS H . . 3.760 3.269 2.942 3.462 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLY H 1 35 TRP HB3 . . 4.580 4.723 4.678 4.789 0.209 6 0 "[ . 1 . 2]" 1
459 1 34 GLY H 1 34 GLY QA . . 2.360 2.231 2.211 2.241 . 0 0 "[ . 1 . 2]" 1
460 1 12 LYS H 1 12 LYS HB3 . . 2.850 2.849 2.623 3.176 0.326 19 0 "[ . 1 . 2]" 1
461 1 12 LYS H 1 12 LYS HB2 . . 3.200 2.885 2.592 3.140 . 0 0 "[ . 1 . 2]" 1
462 1 11 THR HB 1 12 LYS H . . 2.920 2.657 2.556 2.840 . 0 0 "[ . 1 . 2]" 1
463 1 12 LYS H 1 22 ILE HA . . 3.890 3.271 3.159 3.441 . 0 0 "[ . 1 . 2]" 1
464 1 11 THR H 1 12 LYS H . . 4.660 4.476 4.466 4.491 . 0 0 "[ . 1 . 2]" 1
465 1 11 THR HA 1 12 LYS H . . 2.470 2.293 2.235 2.328 . 0 0 "[ . 1 . 2]" 1
466 1 9 PHE HB3 1 10 MET H . . 4.020 3.598 3.341 3.873 . 0 0 "[ . 1 . 2]" 1
467 1 10 MET H 1 10 MET QB . . 2.810 2.650 2.392 2.733 . 0 0 "[ . 1 . 2]" 1
468 1 10 MET H 1 23 ASP H . . 3.200 3.111 3.012 3.238 0.038 5 0 "[ . 1 . 2]" 1
469 1 9 PHE HA 1 10 MET H . . 2.600 2.381 2.289 2.480 . 0 0 "[ . 1 . 2]" 1
470 1 10 MET H 1 22 ILE HA . . 4.960 4.992 4.855 5.044 0.084 10 0 "[ . 1 . 2]" 1
471 1 10 MET H 1 11 THR H . . 4.690 4.497 4.470 4.539 . 0 0 "[ . 1 . 2]" 1
472 1 10 MET H 1 10 MET HA . . 2.870 2.895 2.886 2.900 0.030 15 0 "[ . 1 . 2]" 1
473 1 78 ILE H 1 78 ILE HB . . 2.850 2.773 2.531 2.881 0.031 6 0 "[ . 1 . 2]" 1
474 1 77 PHE HB3 1 78 ILE H . . 3.840 3.535 3.397 3.687 . 0 0 "[ . 1 . 2]" 1
475 1 77 PHE HB2 1 78 ILE H . . 2.480 2.578 2.531 2.629 0.149 20 0 "[ . 1 . 2]" 1
476 1 77 PHE H 1 78 ILE H . . 4.580 4.399 4.394 4.408 . 0 0 "[ . 1 . 2]" 1
477 1 78 ILE H 1 79 LEU H . . 4.440 4.449 4.434 4.485 0.045 5 0 "[ . 1 . 2]" 1
478 1 78 ILE H 1 78 ILE HA . . 2.890 2.875 2.865 2.878 . 0 0 "[ . 1 . 2]" 1
479 1 30 ALA H 1 32 ARG H . . 4.640 4.101 3.970 4.242 . 0 0 "[ . 1 . 2]" 1
480 1 28 ARG H 1 30 ALA H . . 4.220 4.054 3.941 4.206 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU HA 1 30 ALA H . . 3.540 3.396 3.259 3.535 . 0 0 "[ . 1 . 2]" 1
482 1 30 ALA H 1 30 ALA HA . . 2.930 2.809 2.783 2.841 . 0 0 "[ . 1 . 2]" 1
483 1 28 ARG H 1 28 ARG QB . . 3.060 2.147 2.050 2.513 . 0 0 "[ . 1 . 2]" 1
484 1 26 SER H 1 28 ARG H . . 4.280 4.110 3.993 4.254 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU HA 1 28 ARG H . . 3.600 3.455 3.433 3.468 . 0 0 "[ . 1 . 2]" 1
486 1 28 ARG H 1 28 ARG HA . . 2.750 2.779 2.760 2.805 0.055 3 0 "[ . 1 . 2]" 1
487 1 80 ASN H 1 80 ASN HB3 . . 3.760 3.226 2.961 3.464 . 0 0 "[ . 1 . 2]" 1
488 1 80 ASN H 1 80 ASN HB2 . . 2.490 2.142 2.076 2.255 . 0 0 "[ . 1 . 2]" 1
489 1 80 ASN H 1 80 ASN HA . . 2.790 2.755 2.750 2.763 . 0 0 "[ . 1 . 2]" 1
490 1 46 PHE HA 1 57 ALA H . . 4.380 4.213 4.007 4.364 . 0 0 "[ . 1 . 2]" 1
491 1 57 ALA H 1 57 ALA HA . . 2.810 2.726 2.711 2.746 . 0 0 "[ . 1 . 2]" 1
492 1 56 TYR HB2 1 57 ALA H . . 3.140 2.830 2.738 2.892 . 0 0 "[ . 1 . 2]" 1
493 1 57 ALA H 1 58 ARG H . . 2.860 2.806 2.734 2.847 . 0 0 "[ . 1 . 2]" 1
494 1 57 ALA H 1 59 GLN H . . 4.260 4.384 4.335 4.435 0.175 16 0 "[ . 1 . 2]" 1
495 1 56 TYR H 1 57 ALA H . . 2.890 2.696 2.638 2.782 . 0 0 "[ . 1 . 2]" 1
496 1 57 ALA H 1 60 LEU H . . 4.910 4.882 4.839 4.917 0.007 1 0 "[ . 1 . 2]" 1
497 1 56 TYR HA 1 57 ALA H . . 3.500 3.465 3.460 3.475 . 0 0 "[ . 1 . 2]" 1
498 1 47 PHE HA 1 57 ALA H . . 3.460 3.080 2.936 3.239 . 0 0 "[ . 1 . 2]" 1
499 1 50 GLN H 1 55 SER H . . 4.060 4.055 3.775 4.115 0.055 9 0 "[ . 1 . 2]" 1
500 1 50 GLN H 1 50 GLN HB2 . . 3.220 2.132 2.106 2.195 . 0 0 "[ . 1 . 2]" 1
501 1 50 GLN H 1 50 GLN HB3 . . 3.300 3.323 3.290 3.415 0.115 14 0 "[ . 1 . 2]" 1
502 1 49 PRO HA 1 50 GLN H . . 2.200 2.183 2.176 2.206 0.006 6 0 "[ . 1 . 2]" 1
503 1 50 GLN H 1 51 GLY H . . 4.500 4.012 3.825 4.219 . 0 0 "[ . 1 . 2]" 1
504 1 50 GLN H 1 50 GLN HA . . 2.830 2.830 2.813 2.846 0.016 14 0 "[ . 1 . 2]" 1
505 1 17 GLY HA2 1 18 LYS H . . 3.580 3.147 3.124 3.173 . 0 0 "[ . 1 . 2]" 1
506 1 18 LYS H 1 18 LYS HB3 . . 2.770 2.665 2.554 2.748 . 0 0 "[ . 1 . 2]" 1
507 1 18 LYS H 1 18 LYS HB2 . . 2.610 2.555 2.457 2.671 0.061 13 0 "[ . 1 . 2]" 1
508 1 16 THR H 1 18 LYS H . . 3.720 3.244 3.112 3.415 . 0 0 "[ . 1 . 2]" 1
509 1 14 ASP H 1 18 LYS H . . 3.980 3.277 3.216 3.370 . 0 0 "[ . 1 . 2]" 1
510 1 16 THR HA 1 18 LYS H . . 4.700 4.193 4.133 4.457 . 0 0 "[ . 1 . 2]" 1
511 1 17 GLY H 1 18 LYS H . . 2.830 2.611 2.338 2.656 . 0 0 "[ . 1 . 2]" 1
512 1 18 LYS H 1 18 LYS HA . . 2.890 2.875 2.857 2.896 0.006 20 0 "[ . 1 . 2]" 1
513 1 47 PHE QB 1 48 GLN H . . 4.010 3.459 3.420 3.513 . 0 0 "[ . 1 . 2]" 1
514 1 46 PHE HA 1 48 GLN H . . 4.540 3.706 3.658 3.754 . 0 0 "[ . 1 . 2]" 1
515 1 45 ALA HA 1 48 GLN H . . 3.800 3.256 3.181 3.329 . 0 0 "[ . 1 . 2]" 1
516 1 48 GLN H 1 48 GLN HB3 . . 2.920 2.577 2.293 2.983 0.063 18 0 "[ . 1 . 2]" 1
517 1 48 GLN H 1 48 GLN HB2 . . 2.970 2.561 2.227 2.876 . 0 0 "[ . 1 . 2]" 1
518 1 48 GLN H 1 48 GLN HA . . 3.020 2.837 2.809 2.852 . 0 0 "[ . 1 . 2]" 1
519 1 47 PHE HA 1 48 GLN H . . 3.610 3.109 3.069 3.136 . 0 0 "[ . 1 . 2]" 1
520 1 38 LEU H 1 38 LEU HB3 . . 2.790 2.517 2.217 3.339 0.549 6 1 "[ .+ 1 . 2]" 1
521 1 38 LEU H 1 38 LEU HB2 . . 2.850 2.590 2.222 3.108 0.258 6 0 "[ . 1 . 2]" 1
522 1 37 ASP HA 1 38 LEU H . . 3.490 3.456 3.438 3.461 . 0 0 "[ . 1 . 2]" 1
523 1 36 GLU HA 1 38 LEU H . . 4.550 4.491 4.401 4.527 . 0 0 "[ . 1 . 2]" 1
524 1 35 TRP HA 1 38 LEU H . . 3.410 3.371 3.298 3.401 . 0 0 "[ . 1 . 2]" 1
525 1 38 LEU H 1 40 ARG H . . 4.460 4.237 4.136 4.390 . 0 0 "[ . 1 . 2]" 1
526 1 38 LEU H 1 38 LEU HA . . 2.800 2.801 2.796 2.809 0.009 5 0 "[ . 1 . 2]" 1
527 1 35 TRP H 1 35 TRP HB3 . . 3.500 2.455 2.393 2.511 . 0 0 "[ . 1 . 2]" 1
528 1 35 TRP H 1 35 TRP HB2 . . 3.280 3.519 3.510 3.525 0.245 6 0 "[ . 1 . 2]" 1
529 1 35 TRP H 1 35 TRP HA . . 2.920 2.707 2.702 2.711 . 0 0 "[ . 1 . 2]" 1
530 1 35 TRP H 1 36 GLU H . . 2.840 2.871 2.856 2.883 0.043 20 0 "[ . 1 . 2]" 1
531 1 34 GLY H 1 35 TRP H . . 2.910 2.422 2.388 2.481 . 0 0 "[ . 1 . 2]" 1
532 1 63 GLU HA 1 65 MET H . . 4.380 3.961 3.845 4.049 . 0 0 "[ . 1 . 2]" 1
533 1 62 GLN HA 1 65 MET H . . 3.700 3.506 3.419 3.568 . 0 0 "[ . 1 . 2]" 1
534 1 61 PHE HA 1 65 MET H . . 4.350 4.042 3.855 4.268 . 0 0 "[ . 1 . 2]" 1
535 1 64 VAL H 1 65 MET H . . 2.860 2.464 2.437 2.541 . 0 0 "[ . 1 . 2]" 1
536 1 65 MET H 1 65 MET HB3 . . 2.900 2.442 2.262 2.582 . 0 0 "[ . 1 . 2]" 1
537 1 65 MET H 1 65 MET HB2 . . 3.470 3.298 2.733 3.584 0.114 12 0 "[ . 1 . 2]" 1
538 1 64 VAL HA 1 65 MET H . . 3.590 3.351 3.327 3.370 . 0 0 "[ . 1 . 2]" 1
539 1 65 MET H 1 65 MET HA . . 2.930 2.865 2.856 2.871 . 0 0 "[ . 1 . 2]" 1
540 1 101 MET H 1 101 MET HB2 . . 3.220 2.667 2.080 3.508 0.288 13 0 "[ . 1 . 2]" 1
541 1 101 MET H 1 101 MET HB3 . . 3.400 3.230 2.757 3.727 0.327 20 0 "[ . 1 . 2]" 1
542 1 101 MET H 1 102 GLN H . . 4.980 3.949 1.948 4.659 . 0 0 "[ . 1 . 2]" 1
543 1 101 MET H 1 101 MET HA . . 2.900 2.845 2.719 2.898 . 0 0 "[ . 1 . 2]" 1
544 1 81 ASP H 1 81 ASP HB2 . . 2.950 2.314 2.197 2.624 . 0 0 "[ . 1 . 2]" 1
545 1 81 ASP H 1 81 ASP HB3 . . 3.880 3.202 2.582 3.546 . 0 0 "[ . 1 . 2]" 1
546 1 81 ASP H 1 82 GLY H . . 2.960 2.510 2.452 2.547 . 0 0 "[ . 1 . 2]" 1
547 1 81 ASP H 1 83 THR H . . 3.700 3.260 3.221 3.306 . 0 0 "[ . 1 . 2]" 1
548 1 79 LEU HA 1 81 ASP H . . 4.650 4.076 4.039 4.130 . 0 0 "[ . 1 . 2]" 1
549 1 81 ASP H 1 81 ASP HA . . 2.920 2.865 2.858 2.869 . 0 0 "[ . 1 . 2]" 1
550 1 21 SER H 1 21 SER QB . . 3.840 3.018 2.809 3.378 . 0 0 "[ . 1 . 2]" 1
551 1 20 ILE HB 1 21 SER H . . 4.260 3.567 2.859 4.006 . 0 0 "[ . 1 . 2]" 1
552 1 19 ILE HA 1 21 SER H . . 4.020 3.689 3.622 3.782 . 0 0 "[ . 1 . 2]" 1
553 1 21 SER H 1 22 ILE H . . 4.560 4.380 4.370 4.391 . 0 0 "[ . 1 . 2]" 1
554 1 20 ILE H 1 21 SER H . . 2.410 2.136 2.068 2.213 . 0 0 "[ . 1 . 2]" 1
555 1 13 GLN HA 1 21 SER H . . 4.590 4.485 4.264 4.542 . 0 0 "[ . 1 . 2]" 1
556 1 12 LYS H 1 21 SER H . . 2.990 3.142 3.096 3.202 0.212 20 0 "[ . 1 . 2]" 1
557 1 11 THR HA 1 21 SER H . . 5.020 5.074 5.025 5.130 0.110 7 0 "[ . 1 . 2]" 1
558 1 21 SER H 1 21 SER HA . . 2.850 2.790 2.749 2.829 . 0 0 "[ . 1 . 2]" 1
559 1 47 PHE H 1 47 PHE QB . . 2.930 2.278 2.198 2.368 . 0 0 "[ . 1 . 2]" 1
560 1 46 PHE HA 1 47 PHE H . . 3.700 3.432 3.398 3.453 . 0 0 "[ . 1 . 2]" 1
561 1 46 PHE H 1 47 PHE H . . 2.920 2.676 2.619 2.729 . 0 0 "[ . 1 . 2]" 1
562 1 47 PHE H 1 48 GLN H . . 3.030 2.413 2.334 2.491 . 0 0 "[ . 1 . 2]" 1
563 1 45 ALA HA 1 47 PHE H . . 4.570 4.189 4.024 4.325 . 0 0 "[ . 1 . 2]" 1
564 1 47 PHE H 1 47 PHE HA . . 2.890 2.868 2.853 2.880 . 0 0 "[ . 1 . 2]" 1
565 1 89 THR H 1 89 THR HA . . 2.900 2.891 2.883 2.899 . 0 0 "[ . 1 . 2]" 1
566 1 72 SER H 1 89 THR H . . 3.160 3.254 3.187 3.428 0.268 18 0 "[ . 1 . 2]" 1
567 1 88 HIS HB2 1 89 THR H . . 3.750 3.056 2.577 3.988 0.238 5 0 "[ . 1 . 2]" 1
568 1 89 THR H 1 90 ARG H . . 4.310 4.443 4.402 4.526 0.216 18 0 "[ . 1 . 2]" 1
569 1 89 THR H 1 89 THR HB . . 2.760 2.730 2.624 2.992 0.232 9 0 "[ . 1 . 2]" 1
570 1 88 HIS HA 1 89 THR H . . 2.210 2.358 2.194 2.410 0.200 8 0 "[ . 1 . 2]" 1
571 1 66 THR H 1 66 THR HG1 . . 5.500 3.288 2.404 4.803 . 0 0 "[ . 1 . 2]" 1
572 1 94 CYS HB3 1 104 PHE H . . 4.840 4.604 3.923 4.920 0.080 7 0 "[ . 1 . 2]" 1
573 1 63 GLU QG 1 64 VAL H . . 4.450 3.686 3.444 3.848 . 0 0 "[ . 1 . 2]" 1
574 1 108 ILE H 1 108 ILE HG13 . . 2.560 2.303 1.961 3.027 0.467 12 0 "[ . 1 . 2]" 1
575 1 108 ILE H 1 108 ILE HG12 . . 3.230 2.576 1.936 3.171 . 0 0 "[ . 1 . 2]" 1
576 1 67 ARG HG3 1 69 THR H . . 4.330 4.341 4.317 4.363 0.033 4 0 "[ . 1 . 2]" 1
577 1 58 ARG H 1 58 ARG HD3 . . 4.720 4.638 3.728 5.029 0.309 9 0 "[ . 1 . 2]" 1
578 1 58 ARG H 1 58 ARG HD2 . . 5.040 4.846 4.315 5.051 0.011 1 0 "[ . 1 . 2]" 1
579 1 63 GLU H 1 63 GLU QG . . 4.660 3.963 3.925 4.012 . 0 0 "[ . 1 . 2]" 1
580 1 32 ARG QG 1 33 THR H . . 7.260 3.514 2.797 4.245 . 0 0 "[ . 1 . 2]" 1
581 1 9 PHE H 1 109 HIS HB2 . . 3.080 2.937 2.782 3.106 0.026 4 0 "[ . 1 . 2]" 1
582 1 9 PHE H 1 9 PHE QD . . 3.380 2.966 2.771 3.260 . 0 0 "[ . 1 . 2]" 1
583 1 7 GLU H 1 7 GLU HG3 . . 4.640 3.192 2.473 3.827 . 0 0 "[ . 1 . 2]" 1
584 1 7 GLU H 1 7 GLU HG2 . . 4.720 3.715 2.226 4.558 . 0 0 "[ . 1 . 2]" 1
585 1 114 GLU H 1 114 GLU HG3 . . 4.170 4.162 1.868 4.567 0.397 14 0 "[ . 1 . 2]" 1
586 1 114 GLU H 1 114 GLU HG2 . . 4.790 4.322 3.208 4.592 . 0 0 "[ . 1 . 2]" 1
587 1 110 ILE H 1 110 ILE QG . . 2.980 2.801 2.500 3.809 0.829 11 3 "[ . 1+ -* 2]" 1
588 1 67 ARG HG3 1 68 GLY H . . 4.110 4.179 4.150 4.219 0.109 20 0 "[ . 1 . 2]" 1
589 1 67 ARG HG2 1 68 GLY H . . 4.450 4.439 4.354 4.472 0.022 3 0 "[ . 1 . 2]" 1
590 1 16 THR H 1 16 THR HG1 . . 2.220 3.325 2.871 3.740 1.520 15 20 [****-*********+*****] 1
591 1 13 GLN QG 1 14 ASP H . . 4.460 3.449 2.363 3.580 . 0 0 "[ . 1 . 2]" 1
592 1 22 ILE H 1 22 ILE QG . . 3.680 3.201 2.973 3.518 . 0 0 "[ . 1 . 2]" 1
593 1 62 GLN H 1 62 GLN HE21 . . 5.500 4.512 3.078 4.996 . 0 0 "[ . 1 . 2]" 1
594 1 62 GLN H 1 62 GLN HG3 . . 3.730 3.166 1.960 4.322 0.592 1 1 "[+ . 1 . 2]" 1
595 1 62 GLN H 1 62 GLN HG2 . . 3.670 3.117 2.290 3.975 0.305 1 0 "[ . 1 . 2]" 1
596 1 11 THR HG1 1 107 GLY H . . 5.140 2.452 2.027 3.291 . 0 0 "[ . 1 . 2]" 1
597 1 105 ILE H 1 105 ILE QG . . 4.690 3.322 2.712 3.789 . 0 0 "[ . 1 . 2]" 1
598 1 12 LYS HD3 1 13 GLN H . . 5.200 5.300 4.560 5.678 0.478 4 0 "[ . 1 . 2]" 1
599 1 13 GLN H 1 13 GLN QG . . 3.390 3.419 3.376 3.663 0.273 20 0 "[ . 1 . 2]" 1
600 1 19 ILE H 1 19 ILE QG . . 3.050 2.355 2.154 2.988 . 0 0 "[ . 1 . 2]" 1
601 1 13 GLN QG 1 19 ILE H . . 3.870 3.611 3.469 4.492 0.622 20 1 "[ . 1 . +]" 1
602 1 10 MET QB 1 23 ASP H . . 3.380 3.315 3.117 3.553 0.173 11 0 "[ . 1 . 2]" 1
603 1 88 HIS H 1 88 HIS HD2 . . 5.500 3.565 2.064 5.072 . 0 0 "[ . 1 . 2]" 1
604 1 8 SER H 1 111 ILE QG . . 4.580 3.868 3.463 4.475 . 0 0 "[ . 1 . 2]" 1
605 1 27 LEU H 1 27 LEU HG . . 2.420 2.370 2.003 2.653 0.233 5 0 "[ . 1 . 2]" 1
606 1 118 LEU H 1 118 LEU HG . . 4.380 4.229 3.786 4.530 0.150 3 0 "[ . 1 . 2]" 1
607 1 42 CYS H 1 42 CYS HG . . 5.130 4.661 4.562 4.687 . 0 0 "[ . 1 . 2]" 1
608 1 128 MET H 1 128 MET HG3 . . 5.500 3.935 2.806 5.220 . 0 0 "[ . 1 . 2]" 1
609 1 128 MET H 1 128 MET HG2 . . 5.500 4.057 2.507 5.104 . 0 0 "[ . 1 . 2]" 1
610 1 76 ARG H 1 76 ARG HG2 . . 3.600 2.419 1.975 3.897 0.297 2 0 "[ . 1 . 2]" 1
611 1 76 ARG H 1 76 ARG HG3 . . 3.920 2.775 1.946 3.514 . 0 0 "[ . 1 . 2]" 1
612 1 76 ARG H 1 76 ARG HD2 . . 4.510 3.987 2.295 4.603 0.093 12 0 "[ . 1 . 2]" 1
613 1 76 ARG H 1 76 ARG HD3 . . 4.670 3.643 2.336 4.604 . 0 0 "[ . 1 . 2]" 1
614 1 93 LEU H 1 93 LEU HG . . 4.690 4.422 4.293 4.613 . 0 0 "[ . 1 . 2]" 1
615 1 41 LYS QE 1 43 ILE H . . 7.260 7.143 6.682 7.269 0.009 5 0 "[ . 1 . 2]" 1
616 1 41 LYS H 1 41 LYS QG . . 4.690 3.944 3.825 4.021 . 0 0 "[ . 1 . 2]" 1
617 1 41 LYS H 1 41 LYS QE . . 7.260 5.021 3.852 5.659 . 0 0 "[ . 1 . 2]" 1
618 1 40 ARG QG 1 41 LYS H . . 7.260 4.150 2.109 4.389 . 0 0 "[ . 1 . 2]" 1
619 1 41 LYS H 1 41 LYS HD3 . . 4.240 4.252 2.916 4.485 0.245 12 0 "[ . 1 . 2]" 1
620 1 41 LYS H 1 41 LYS HD2 . . 4.480 3.693 3.265 4.454 . 0 0 "[ . 1 . 2]" 1
621 1 59 GLN H 1 59 GLN HE21 . . 5.500 4.201 2.963 5.080 . 0 0 "[ . 1 . 2]" 1
622 1 59 GLN H 1 59 GLN HE22 . . 5.500 5.166 4.469 5.594 0.094 7 0 "[ . 1 . 2]" 1
623 1 102 GLN H 1 102 GLN QG . . 3.960 3.501 2.405 3.933 . 0 0 "[ . 1 . 2]" 1
624 1 84 MET HG2 1 85 LEU H . . 4.970 3.620 2.855 4.656 . 0 0 "[ . 1 . 2]" 1
625 1 85 LEU H 1 85 LEU HG . . 3.220 2.749 2.085 3.268 0.048 15 0 "[ . 1 . 2]" 1
626 1 36 GLU H 1 36 GLU QG . . 3.830 3.598 3.444 3.706 . 0 0 "[ . 1 . 2]" 1
627 1 120 PRO HD2 1 121 GLN H . . 5.500 4.858 2.649 5.287 . 0 0 "[ . 1 . 2]" 1
628 1 113 ARG H 1 113 ARG HD3 . . 5.150 4.657 3.653 5.148 . 0 0 "[ . 1 . 2]" 1
629 1 113 ARG H 1 113 ARG HD2 . . 4.560 4.437 3.734 5.146 0.586 14 2 "[ . - 1 +. 2]" 1
630 1 113 ARG H 1 113 ARG HG3 . . 4.550 4.456 3.926 4.785 0.235 7 0 "[ . 1 . 2]" 1
631 1 113 ARG H 1 113 ARG HG2 . . 4.900 4.499 4.060 4.676 . 0 0 "[ . 1 . 2]" 1
632 1 106 MET H 1 106 MET QG . . 2.820 2.608 2.428 2.758 . 0 0 "[ . 1 . 2]" 1
633 1 11 THR H 1 11 THR HG1 . . 2.820 2.224 1.856 3.814 0.994 4 1 "[ +. 1 . 2]" 1
634 1 84 MET H 1 84 MET HG2 . . 4.750 4.535 4.386 4.688 . 0 0 "[ . 1 . 2]" 1
635 1 84 MET H 1 84 MET HG3 . . 4.520 4.416 4.254 4.690 0.170 11 0 "[ . 1 . 2]" 1
636 1 8 SER QB 1 111 ILE H . . 4.810 2.734 2.445 3.782 . 0 0 "[ . 1 . 2]" 1
637 1 111 ILE H 1 111 ILE QG . . 2.610 2.356 2.228 2.502 . 0 0 "[ . 1 . 2]" 1
638 1 63 GLU QG 1 71 SER H . . 4.500 4.210 3.886 4.570 0.070 2 0 "[ . 1 . 2]" 1
639 1 67 ARG H 1 67 ARG HG3 . . 3.140 2.871 2.835 2.914 . 0 0 "[ . 1 . 2]" 1
640 1 67 ARG H 1 67 ARG HG2 . . 3.330 2.960 2.816 2.994 . 0 0 "[ . 1 . 2]" 1
641 1 63 GLU QG 1 67 ARG H . . 5.500 4.051 3.897 4.186 . 0 0 "[ . 1 . 2]" 1
642 1 92 LYS H 1 92 LYS QD . . 3.330 3.168 2.951 3.360 0.030 16 0 "[ . 1 . 2]" 1
643 1 92 LYS H 1 92 LYS QE . . 7.260 4.897 4.348 5.350 . 0 0 "[ . 1 . 2]" 1
644 1 25 SER H 1 28 ARG QG . . 7.260 6.354 4.567 7.122 . 0 0 "[ . 1 . 2]" 1
645 1 90 ARG H 1 90 ARG QG . . 3.360 2.916 2.689 3.364 0.004 9 0 "[ . 1 . 2]" 1
646 1 79 LEU H 1 79 LEU HG . . 2.430 2.477 2.435 2.527 0.097 16 0 "[ . 1 . 2]" 1
647 1 94 CYS H 1 94 CYS HG . . 4.310 3.488 3.131 4.242 . 0 0 "[ . 1 . 2]" 1
648 1 20 ILE H 1 20 ILE QG . . 2.510 2.033 1.823 2.241 . 0 0 "[ . 1 . 2]" 1
649 1 60 LEU H 1 60 LEU HG . . 4.050 4.061 3.919 4.127 0.077 2 0 "[ . 1 . 2]" 1
650 1 91 CYS H 1 91 CYS HG . . 4.530 3.522 2.164 4.102 . 0 0 "[ . 1 . 2]" 1
651 1 12 LYS H 1 12 LYS HG3 . . 5.050 4.587 4.362 4.850 . 0 0 "[ . 1 . 2]" 1
652 1 12 LYS H 1 12 LYS HG2 . . 4.670 4.630 4.423 4.865 0.195 3 0 "[ . 1 . 2]" 1
653 1 10 MET H 1 10 MET QG . . 3.010 2.863 2.603 3.108 0.098 6 0 "[ . 1 . 2]" 1
654 1 10 MET H 1 23 ASP HB2 . . 4.640 4.257 3.913 4.826 0.186 5 0 "[ . 1 . 2]" 1
655 1 50 GLN H 1 50 GLN HG2 . . 4.910 3.582 3.149 4.024 . 0 0 "[ . 1 . 2]" 1
656 1 50 GLN H 1 50 GLN HG3 . . 3.330 3.795 3.467 4.168 0.838 13 9 "[ **. * ** +** - 2]" 1
657 1 50 GLN H 1 50 GLN HE21 . . 5.500 5.234 4.513 5.665 0.165 17 0 "[ . 1 . 2]" 1
658 1 50 GLN H 1 55 SER QB . . 4.790 4.246 4.000 4.338 . 0 0 "[ . 1 . 2]" 1
659 1 18 LYS H 1 18 LYS QD . . 5.090 4.412 4.014 4.690 . 0 0 "[ . 1 . 2]" 1
660 1 18 LYS H 1 18 LYS QG . . 4.580 4.012 3.967 4.088 . 0 0 "[ . 1 . 2]" 1
661 1 48 GLN H 1 56 TYR HB2 . . 4.690 4.814 4.738 4.892 0.202 16 0 "[ . 1 . 2]" 1
662 1 35 TRP H 1 35 TRP HD1 . . 4.070 2.259 1.985 2.425 . 0 0 "[ . 1 . 2]" 1
663 1 35 TRP H 1 35 TRP HE1 . . 5.440 4.495 4.316 4.618 . 0 0 "[ . 1 . 2]" 1
664 1 65 MET H 1 65 MET HG3 . . 5.500 3.759 2.403 4.674 . 0 0 "[ . 1 . 2]" 1
665 1 62 GLN HE21 1 65 MET H . . 5.500 5.426 4.942 5.821 0.321 10 0 "[ . 1 . 2]" 1
666 1 101 MET H 1 101 MET HG2 . . 3.960 3.374 1.959 4.173 0.213 20 0 "[ . 1 . 2]" 1
667 1 101 MET H 1 101 MET HG3 . . 4.160 3.485 2.026 4.175 0.015 20 0 "[ . 1 . 2]" 1
668 1 20 ILE QG 1 21 SER H . . 3.240 2.482 1.995 3.420 0.180 4 0 "[ . 1 . 2]" 1
669 1 64 VAL MG2 1 66 THR H . . 7.010 5.295 5.137 5.436 . 0 0 "[ . 1 . 2]" 1
670 1 111 ILE MG 1 112 ASP H . . 3.550 2.370 2.296 2.502 . 0 0 "[ . 1 . 2]" 1
671 1 64 VAL H 1 70 ALA MB . . 4.930 2.709 2.450 3.370 . 0 0 "[ . 1 . 2]" 1
672 1 64 VAL H 1 64 VAL MG2 . . 4.690 3.671 3.533 3.750 . 0 0 "[ . 1 . 2]" 1
673 1 108 ILE H 1 108 ILE MG . . 3.110 2.528 2.258 2.753 . 0 0 "[ . 1 . 2]" 1
674 1 15 THR H 1 15 THR MG . . 3.490 2.368 1.864 3.437 . 0 0 "[ . 1 . 2]" 1
675 1 30 ALA MB 1 31 GLY H . . 4.900 2.863 2.766 2.962 . 0 0 "[ . 1 . 2]" 1
676 1 69 THR H 1 69 THR MG . . 4.720 3.444 2.507 4.044 . 0 0 "[ . 1 . 2]" 1
677 1 64 VAL MG1 1 69 THR H . . 5.120 4.727 4.513 4.848 . 0 0 "[ . 1 . 2]" 1
678 1 57 ALA MB 1 58 ARG H . . 5.240 2.591 2.558 2.648 . 0 0 "[ . 1 . 2]" 1
679 1 63 GLU H 1 64 VAL MG2 . . 7.540 5.694 5.562 5.829 . 0 0 "[ . 1 . 2]" 1
680 1 33 THR H 1 33 THR MG . . 3.350 2.267 1.968 2.465 . 0 0 "[ . 1 . 2]" 1
681 1 38 LEU QD 1 39 VAL H . . 4.940 3.381 2.608 4.021 . 0 0 "[ . 1 . 2]" 1
682 1 110 ILE H 1 110 ILE MD . . 4.660 3.643 2.519 4.553 . 0 0 "[ . 1 . 2]" 1
683 1 66 THR MG 1 68 GLY H . . 6.760 4.929 4.026 5.460 . 0 0 "[ . 1 . 2]" 1
684 1 64 VAL MG1 1 68 GLY H . . 5.800 4.311 4.073 4.530 . 0 0 "[ . 1 . 2]" 1
685 1 16 THR H 1 16 THR MG . . 3.240 2.872 2.375 3.290 0.050 17 0 "[ . 1 . 2]" 1
686 1 22 ILE H 1 22 ILE MD . . 5.160 3.903 2.530 4.450 . 0 0 "[ . 1 . 2]" 1
687 1 22 ILE H 1 22 ILE MG . . 4.740 3.894 3.836 3.918 . 0 0 "[ . 1 . 2]" 1
688 1 40 ARG H 1 43 ILE MD . . 7.140 4.608 3.909 6.380 . 0 0 "[ . 1 . 2]" 1
689 1 40 ARG H 1 43 ILE MG . . 6.890 6.138 5.958 6.304 . 0 0 "[ . 1 . 2]" 1
690 1 39 VAL QG 1 40 ARG H . . 6.050 3.078 2.930 3.160 . 0 0 "[ . 1 . 2]" 1
691 1 43 ILE MG 1 44 TYR H . . 5.000 3.351 3.138 3.517 . 0 0 "[ . 1 . 2]" 1
692 1 85 LEU MD2 1 86 SER H . . 4.630 4.136 3.501 4.850 0.220 13 0 "[ . 1 . 2]" 1
693 1 105 ILE H 1 105 ILE MD . . 4.630 3.489 2.696 4.251 . 0 0 "[ . 1 . 2]" 1
694 1 105 ILE H 1 105 ILE MG . . 4.690 3.545 3.277 3.730 . 0 0 "[ . 1 . 2]" 1
695 1 75 TYR H 1 87 ALA MB . . 5.160 4.379 4.153 4.468 . 0 0 "[ . 1 . 2]" 1
696 1 19 ILE H 1 19 ILE MD . . 4.660 3.434 2.301 3.763 . 0 0 "[ . 1 . 2]" 1
697 1 19 ILE H 1 19 ILE MG . . 4.610 3.748 3.711 3.771 . 0 0 "[ . 1 . 2]" 1
698 1 22 ILE MG 1 23 ASP H . . 3.340 2.445 2.298 2.609 . 0 0 "[ . 1 . 2]" 1
699 1 16 THR MG 1 17 GLY H . . 5.110 4.304 4.131 4.452 . 0 0 "[ . 1 . 2]" 1
700 1 87 ALA MB 1 88 HIS H . . 3.540 2.336 2.245 2.460 . 0 0 "[ . 1 . 2]" 1
701 1 29 ALA H 1 29 ALA MB . . 3.440 2.238 2.221 2.253 . 0 0 "[ . 1 . 2]" 1
702 1 61 PHE H 1 64 VAL MG2 . . 6.550 6.082 5.854 6.403 . 0 0 "[ . 1 . 2]" 1
703 1 27 LEU H 1 27 LEU QD . . 4.210 2.888 2.495 3.139 . 0 0 "[ . 1 . 2]" 1
704 1 83 THR H 1 83 THR MG . . 4.690 3.742 3.736 3.753 . 0 0 "[ . 1 . 2]" 1
705 1 93 LEU H 1 93 LEU MD2 . . 4.780 3.965 3.638 4.248 . 0 0 "[ . 1 . 2]" 1
706 1 85 LEU H 1 85 LEU MD2 . . 4.730 3.495 2.523 4.380 . 0 0 "[ . 1 . 2]" 1
707 1 85 LEU H 1 85 LEU MD1 . . 5.140 3.704 1.794 4.184 . 0 0 "[ . 1 . 2]" 1
708 1 70 ALA H 1 70 ALA MB . . 3.670 2.727 2.642 2.852 . 0 0 "[ . 1 . 2]" 1
709 1 64 VAL MG1 1 70 ALA H . . 4.940 4.701 4.474 4.927 . 0 0 "[ . 1 . 2]" 1
710 1 11 THR H 1 11 THR MG . . 3.880 2.958 2.688 3.363 . 0 0 "[ . 1 . 2]" 1
711 1 45 ALA MB 1 46 PHE H . . 4.930 2.621 2.587 2.670 . 0 0 "[ . 1 . 2]" 1
712 1 43 ILE MG 1 46 PHE H . . 7.540 4.578 4.510 4.647 . 0 0 "[ . 1 . 2]" 1
713 1 83 THR MG 1 84 MET H . . 3.610 2.663 2.618 2.745 . 0 0 "[ . 1 . 2]" 1
714 1 111 ILE H 1 111 ILE MD . . 4.000 3.412 3.117 3.733 . 0 0 "[ . 1 . 2]" 1
715 1 111 ILE H 1 111 ILE MG . . 4.660 3.781 3.765 3.799 . 0 0 "[ . 1 . 2]" 1
716 1 70 ALA MB 1 71 SER H . . 3.440 2.437 2.045 2.696 . 0 0 "[ . 1 . 2]" 1
717 1 60 LEU MD1 1 71 SER H . . 4.600 3.541 3.183 4.002 . 0 0 "[ . 1 . 2]" 1
718 1 24 THR H 1 24 THR MG . . 3.420 2.980 2.761 3.185 . 0 0 "[ . 1 . 2]" 1
719 1 66 THR MG 1 67 ARG H . . 5.860 3.451 2.439 4.025 . 0 0 "[ . 1 . 2]" 1
720 1 24 THR MG 1 25 SER H . . 7.290 4.351 4.286 4.412 . 0 0 "[ . 1 . 2]" 1
721 1 89 THR MG 1 90 ARG H . . 3.650 2.362 2.099 3.484 . 0 0 "[ . 1 . 2]" 1
722 1 79 LEU H 1 79 LEU MD2 . . 4.010 3.493 3.145 3.802 . 0 0 "[ . 1 . 2]" 1
723 1 79 LEU H 1 79 LEU MD1 . . 4.610 3.594 3.216 3.792 . 0 0 "[ . 1 . 2]" 1
724 1 56 TYR H 1 57 ALA MB . . 6.610 4.332 4.280 4.412 . 0 0 "[ . 1 . 2]" 1
725 1 20 ILE H 1 20 ILE MG . . 3.850 2.916 2.242 3.800 . 0 0 "[ . 1 . 2]" 1
726 1 20 ILE H 1 20 ILE MD . . 4.740 3.570 2.617 3.804 . 0 0 "[ . 1 . 2]" 1
727 1 60 LEU H 1 60 LEU MD1 . . 5.460 2.692 2.298 4.203 . 0 0 "[ . 1 . 2]" 1
728 1 10 MET H 1 22 ILE MG . . 4.910 3.452 3.264 3.684 . 0 0 "[ . 1 . 2]" 1
729 1 30 ALA H 1 30 ALA MB . . 3.240 2.228 2.219 2.246 . 0 0 "[ . 1 . 2]" 1
730 1 57 ALA H 1 57 ALA MB . . 3.440 2.218 2.216 2.219 . 0 0 "[ . 1 . 2]" 1
731 1 57 ALA H 1 60 LEU MD1 . . 7.540 4.839 4.577 5.708 . 0 0 "[ . 1 . 2]" 1
732 1 45 ALA MB 1 48 GLN H . . 7.140 4.252 4.204 4.291 . 0 0 "[ . 1 . 2]" 1
733 1 48 GLN H 1 57 ALA MB . . 7.540 4.899 4.697 5.088 . 0 0 "[ . 1 . 2]" 1
734 1 38 LEU H 1 39 VAL QG . . 7.540 4.019 3.968 4.062 . 0 0 "[ . 1 . 2]" 1
735 1 33 THR MG 1 35 TRP H . . 7.540 4.793 4.648 4.918 . 0 0 "[ . 1 . 2]" 1
736 1 64 VAL MG2 1 65 MET H . . 5.030 4.141 3.940 4.311 . 0 0 "[ . 1 . 2]" 1
737 1 45 ALA MB 1 47 PHE H . . 7.540 4.488 4.372 4.596 . 0 0 "[ . 1 . 2]" 1
738 1 43 ILE MG 1 47 PHE H . . 7.540 3.911 3.868 4.005 . 0 0 "[ . 1 . 2]" 1
739 1 47 PHE H 1 57 ALA MB . . 7.380 4.204 4.019 4.461 . 0 0 "[ . 1 . 2]" 1
740 1 89 THR H 1 89 THR MG . . 4.740 3.647 2.296 3.930 . 0 0 "[ . 1 . 2]" 1
741 1 50 GLN H 1 55 SER HA . . 3.000 2.691 2.509 2.794 . 0 0 "[ . 1 . 2]" 1
742 1 55 SER HA 1 56 TYR H . . 2.670 2.353 2.260 2.420 . 0 0 "[ . 1 . 2]" 1
743 1 54 PRO HA 1 55 SER H . . 2.500 2.341 2.226 2.438 . 0 0 "[ . 1 . 2]" 1
744 1 54 PRO QB 1 59 GLN H . . 4.200 4.226 3.860 4.294 0.094 17 0 "[ . 1 . 2]" 1
745 1 37 ASP HA 1 41 LYS H . . 4.300 3.951 3.789 3.985 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLY H 1 36 GLU H . . 4.200 3.869 3.788 4.061 . 0 0 "[ . 1 . 2]" 1
747 1 33 THR HA 1 35 TRP H . . 3.000 3.057 3.037 3.081 0.081 5 0 "[ . 1 . 2]" 1
748 1 33 THR HA 1 34 GLY H . . 2.500 2.456 2.428 2.496 . 0 0 "[ . 1 . 2]" 1
749 1 33 THR HB 1 34 GLY H . . 2.360 2.266 2.193 2.319 . 0 0 "[ . 1 . 2]" 1
750 1 33 THR H 1 34 GLY H . . 4.940 4.643 4.628 4.650 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLY QA 1 35 TRP H . . 3.100 2.866 2.858 2.868 . 0 0 "[ . 1 . 2]" 1
752 1 32 ARG HA 1 33 THR H . . 2.150 2.146 2.143 2.150 0.000 5 0 "[ . 1 . 2]" 1
753 1 31 GLY QA 1 32 ARG H . . 3.800 2.847 2.820 2.865 . 0 0 "[ . 1 . 2]" 1
754 1 30 ALA MB 1 32 ARG H . . 3.500 2.502 2.416 2.641 . 0 0 "[ . 1 . 2]" 1
755 1 30 ALA HA 1 32 ARG H . . 4.800 4.191 4.042 4.454 . 0 0 "[ . 1 . 2]" 1
756 1 34 GLY QA 1 36 GLU H . . 4.000 3.594 3.463 3.655 . 0 0 "[ . 1 . 2]" 1
757 1 33 THR HB 1 35 TRP H . . 4.400 4.367 4.295 4.414 0.014 6 0 "[ . 1 . 2]" 1
758 1 27 LEU QD 1 38 LEU QD . . 4.000 2.647 1.769 3.822 . 0 0 "[ . 1 . 2]" 1
759 1 27 LEU QD 1 39 VAL QG . . 2.470 1.824 1.684 2.447 . 0 0 "[ . 1 . 2]" 1
760 1 29 ALA H 1 31 GLY H . . 4.310 4.209 4.086 4.300 . 0 0 "[ . 1 . 2]" 1
761 1 68 GLY HA2 1 69 THR H . . 3.800 3.224 3.183 3.264 . 0 0 "[ . 1 . 2]" 1
762 1 63 GLU QG 1 69 THR H . . 4.250 4.009 3.828 4.338 0.088 2 0 "[ . 1 . 2]" 1
763 1 64 VAL MG2 1 69 THR H . . 4.530 3.028 2.859 3.185 . 0 0 "[ . 1 . 2]" 1
764 1 64 VAL HA 1 70 ALA H . . 4.780 3.991 3.796 4.160 . 0 0 "[ . 1 . 2]" 1
765 1 64 VAL HB 1 70 ALA H . . 4.380 3.568 3.107 4.281 . 0 0 "[ . 1 . 2]" 1
766 1 64 VAL MG2 1 70 ALA H . . 4.400 2.509 2.155 3.100 . 0 0 "[ . 1 . 2]" 1
767 1 60 LEU HG 1 71 SER H . . 3.370 2.983 2.542 3.449 0.079 2 0 "[ . 1 . 2]" 1
768 1 60 LEU HG 1 72 SER H . . 4.670 3.625 3.274 4.108 . 0 0 "[ . 1 . 2]" 1
769 1 60 LEU MD2 1 72 SER H . . 3.780 2.096 1.524 4.122 0.342 2 0 "[ . 1 . 2]" 1
770 1 71 SER HB3 1 72 SER H . . 4.250 3.792 3.229 4.126 . 0 0 "[ . 1 . 2]" 1
771 1 71 SER HB2 1 72 SER H . . 3.200 3.233 2.591 4.105 0.905 10 4 "[ . + - . * *2]" 1
772 1 45 ALA MB 1 75 TYR QD . . 3.010 3.122 2.903 3.169 0.159 3 0 "[ . 1 . 2]" 1
773 1 46 PHE HB2 1 75 TYR HE2 . . 3.190 3.295 2.939 3.484 0.294 5 0 "[ . 1 . 2]" 1
774 1 46 PHE HB2 1 75 TYR QD . . 4.740 4.565 4.055 4.667 . 0 0 "[ . 1 . 2]" 1
775 1 72 SER QB 1 73 PRO HD2 . . 2.400 1.949 1.843 2.179 . 0 0 "[ . 1 . 2]" 1
776 1 56 TYR HB3 1 72 SER QB . . 3.650 2.747 2.522 3.098 . 0 0 "[ . 1 . 2]" 1
777 1 73 PRO HA 1 74 SER H . . 2.580 2.533 2.482 2.551 . 0 0 "[ . 1 . 2]" 1
778 1 73 PRO HA 1 74 SER HA . . 4.460 4.299 4.281 4.306 . 0 0 "[ . 1 . 2]" 1
779 1 73 PRO HB2 1 74 SER H . . 2.440 2.363 2.325 2.483 0.043 18 0 "[ . 1 . 2]" 1
780 1 73 PRO HB3 1 74 SER H . . 3.600 3.274 3.256 3.333 . 0 0 "[ . 1 . 2]" 1
781 1 78 ILE HB 1 79 LEU H . . 4.540 4.042 3.919 4.197 . 0 0 "[ . 1 . 2]" 1
782 1 56 TYR H 1 56 TYR QD . . 3.960 3.592 3.476 3.662 . 0 0 "[ . 1 . 2]" 1
783 1 56 TYR QD 1 58 ARG H . . 5.760 5.720 5.695 5.743 . 0 0 "[ . 1 . 2]" 1
784 1 56 TYR QD 1 60 LEU H . . 4.980 4.978 4.778 5.071 0.091 2 0 "[ . 1 . 2]" 1
785 1 56 TYR QD 1 57 ALA H . . 4.990 4.602 4.563 4.625 . 0 0 "[ . 1 . 2]" 1
786 1 56 TYR QD 1 72 SER QB . . 3.750 3.465 3.319 3.556 . 0 0 "[ . 1 . 2]" 1
787 1 56 TYR QD 1 73 PRO HD2 . . 4.300 3.469 3.402 3.616 . 0 0 "[ . 1 . 2]" 1
788 1 56 TYR HE1 1 73 PRO QG . . 3.260 3.239 2.991 3.508 0.248 15 0 "[ . 1 . 2]" 1
789 1 75 TYR H 1 75 TYR QD . . 3.390 2.737 2.438 2.869 . 0 0 "[ . 1 . 2]" 1
790 1 56 TYR HB2 1 75 TYR QD . . 4.620 5.079 4.882 5.197 0.577 5 3 "[ + 1 -. * 2]" 1
791 1 46 PHE H 1 46 PHE HD1 . . 4.810 4.624 4.522 4.812 0.002 20 0 "[ . 1 . 2]" 1
792 1 46 PHE H 1 46 PHE HD2 . . 4.860 4.785 4.537 4.889 0.029 8 0 "[ . 1 . 2]" 1
793 1 47 PHE H 1 47 PHE QD . . 4.860 3.262 2.704 3.983 . 0 0 "[ . 1 . 2]" 1
794 1 77 PHE H 1 77 PHE HD2 . . 4.590 4.247 3.988 4.489 . 0 0 "[ . 1 . 2]" 1
795 1 77 PHE H 1 77 PHE HD1 . . 3.380 2.961 2.560 3.333 . 0 0 "[ . 1 . 2]" 1
796 1 77 PHE H 1 77 PHE HE1 . . 4.840 4.304 4.005 4.589 . 0 0 "[ . 1 . 2]" 1
797 1 42 CYS H 1 77 PHE HD2 . . 4.490 4.513 4.481 4.553 0.063 18 0 "[ . 1 . 2]" 1
798 1 74 SER HA 1 75 TYR HA . . 4.690 4.301 4.292 4.309 . 0 0 "[ . 1 . 2]" 1
799 1 74 SER HA 1 75 TYR QD . . 4.050 3.872 3.605 3.961 . 0 0 "[ . 1 . 2]" 1
800 1 73 PRO HD2 1 75 TYR QD . . 4.440 4.085 3.811 4.522 0.082 20 0 "[ . 1 . 2]" 1
801 1 73 PRO QG 1 74 SER H . . 4.150 3.943 3.912 4.033 . 0 0 "[ . 1 . 2]" 1
802 1 38 LEU HA 1 79 LEU HG . . 4.910 4.890 4.601 4.956 0.046 8 0 "[ . 1 . 2]" 1
803 1 38 LEU HB2 1 79 LEU MD2 . . 3.730 2.750 2.147 4.016 0.286 6 0 "[ . 1 . 2]" 1
804 1 78 ILE HA 1 84 MET HA . . 2.830 2.618 2.551 2.680 . 0 0 "[ . 1 . 2]" 1
805 1 78 ILE HA 1 79 LEU HA . . 4.600 4.255 4.251 4.260 . 0 0 "[ . 1 . 2]" 1
806 1 78 ILE HA 1 85 LEU H . . 3.620 3.615 3.541 3.721 0.101 18 0 "[ . 1 . 2]" 1
807 1 79 LEU HA 1 80 ASN H . . 2.610 2.500 2.474 2.530 . 0 0 "[ . 1 . 2]" 1
808 1 79 LEU HB2 1 80 ASN H . . 3.600 3.336 3.277 3.382 . 0 0 "[ . 1 . 2]" 1
809 1 79 LEU H 1 84 MET HA . . 3.950 3.693 3.577 3.798 . 0 0 "[ . 1 . 2]" 1
810 1 79 LEU HB2 1 81 ASP H . . 3.330 2.765 2.698 2.826 . 0 0 "[ . 1 . 2]" 1
811 1 79 LEU HB2 1 83 THR HB . . 2.300 2.433 2.418 2.453 0.153 5 0 "[ . 1 . 2]" 1
812 1 80 ASN H 1 81 ASP H . . 3.050 2.661 2.639 2.675 . 0 0 "[ . 1 . 2]" 1
813 1 80 ASN H 1 82 GLY H . . 4.520 4.119 4.037 4.138 . 0 0 "[ . 1 . 2]" 1
814 1 80 ASN HA 1 82 GLY H . . 3.910 3.454 3.427 3.501 . 0 0 "[ . 1 . 2]" 1
815 1 80 ASN HB2 1 81 ASP H . . 3.160 3.418 3.162 3.716 0.556 16 3 "[* . -1 .+ 2]" 1
816 1 80 ASN HB3 1 81 ASP H . . 3.760 3.385 3.160 3.729 . 0 0 "[ . 1 . 2]" 1
817 1 81 ASP HA 1 83 THR H . . 4.730 4.194 4.159 4.317 . 0 0 "[ . 1 . 2]" 1
818 1 81 ASP HB3 1 82 GLY H . . 4.670 3.993 3.749 4.264 . 0 0 "[ . 1 . 2]" 1
819 1 81 ASP HB3 1 83 THR H . . 4.570 3.222 2.834 3.765 . 0 0 "[ . 1 . 2]" 1
820 1 81 ASP HB2 1 82 GLY H . . 4.770 3.958 3.730 4.345 . 0 0 "[ . 1 . 2]" 1
821 1 82 GLY H 1 83 THR H . . 2.780 2.579 2.470 2.610 . 0 0 "[ . 1 . 2]" 1
822 1 92 LYS HA 1 93 LEU HA . . 4.310 4.319 4.302 4.333 0.023 20 0 "[ . 1 . 2]" 1
823 1 93 LEU HA 1 94 CYS HA . . 4.360 4.326 4.308 4.334 . 0 0 "[ . 1 . 2]" 1
824 1 93 LEU QB 1 94 CYS H . . 4.410 3.624 3.552 3.835 . 0 0 "[ . 1 . 2]" 1
825 1 88 HIS H 1 89 THR H . . 4.620 4.483 4.450 4.549 . 0 0 "[ . 1 . 2]" 1
826 1 88 HIS HA 1 89 THR HA . . 4.640 4.365 4.302 4.393 . 0 0 "[ . 1 . 2]" 1
827 1 90 ARG HB3 1 91 CYS H . . 3.280 3.192 3.019 3.365 0.085 5 0 "[ . 1 . 2]" 1
828 1 90 ARG HB2 1 91 CYS H . . 4.120 3.921 3.775 4.096 . 0 0 "[ . 1 . 2]" 1
829 1 89 THR HA 1 90 ARG H . . 2.220 2.244 2.217 2.274 0.054 12 0 "[ . 1 . 2]" 1
830 1 89 THR HA 1 90 ARG HA . . 4.650 4.364 4.354 4.374 . 0 0 "[ . 1 . 2]" 1
831 1 90 ARG HA 1 91 CYS H . . 2.290 2.175 2.147 2.209 . 0 0 "[ . 1 . 2]" 1
832 1 90 ARG HA 1 91 CYS HA . . 4.630 4.306 4.300 4.313 . 0 0 "[ . 1 . 2]" 1
833 1 91 CYS HA 1 92 LYS H . . 2.520 2.253 2.171 2.314 . 0 0 "[ . 1 . 2]" 1
834 1 68 GLY HA2 1 93 LEU H . . 3.320 3.380 3.216 3.514 0.194 9 0 "[ . 1 . 2]" 1
835 1 68 GLY HA2 1 93 LEU QB . . 2.550 2.562 2.336 2.713 0.163 16 0 "[ . 1 . 2]" 1
836 1 68 GLY HA3 1 93 LEU QB . . 3.770 3.465 2.863 3.840 0.070 8 0 "[ . 1 . 2]" 1
837 1 94 CYS HA 1 95 TYR HA . . 4.650 4.300 4.291 4.308 . 0 0 "[ . 1 . 2]" 1
838 1 94 CYS HB2 1 95 TYR H . . 4.200 4.117 3.891 4.294 0.094 16 0 "[ . 1 . 2]" 1
839 1 94 CYS HB3 1 95 TYR H . . 3.280 3.315 3.045 3.442 0.162 17 0 "[ . 1 . 2]" 1
840 1 95 TYR H 1 96 PRO QD . . 4.480 4.216 4.027 4.303 . 0 0 "[ . 1 . 2]" 1
841 1 95 TYR HA 1 96 PRO HG2 . . 4.590 4.220 4.118 4.302 . 0 0 "[ . 1 . 2]" 1
842 1 95 TYR HA 1 96 PRO HG3 . . 4.690 4.316 4.299 4.343 . 0 0 "[ . 1 . 2]" 1
843 1 95 TYR HA 1 96 PRO QD . . 2.350 1.930 1.877 1.980 . 0 0 "[ . 1 . 2]" 1
844 1 96 PRO HG2 1 102 GLN HA . . 4.780 4.169 2.979 4.848 0.068 5 0 "[ . 1 . 2]" 1
845 1 96 PRO HG2 1 102 GLN H . . 4.490 3.264 1.992 4.539 0.049 20 0 "[ . 1 . 2]" 1
846 1 96 PRO HG2 1 103 PRO HA . . 4.640 4.269 3.930 4.511 . 0 0 "[ . 1 . 2]" 1
847 1 96 PRO HG3 1 103 PRO HA . . 3.890 3.818 3.647 3.998 0.108 17 0 "[ . 1 . 2]" 1
848 1 96 PRO QD 1 103 PRO HA . . 2.390 1.993 1.906 2.151 . 0 0 "[ . 1 . 2]" 1
849 1 96 PRO QD 1 103 PRO HB3 . . 3.860 3.003 2.682 3.236 . 0 0 "[ . 1 . 2]" 1
850 1 96 PRO QD 1 104 PHE H . . 3.860 3.359 3.035 3.733 . 0 0 "[ . 1 . 2]" 1
851 1 94 CYS HG 1 106 MET QB . . 3.330 3.989 3.654 4.778 1.448 16 14 "[** ** ***1 ***.+-**2]" 1
852 1 94 CYS HG 1 106 MET H . . 4.320 4.214 3.860 5.335 1.015 16 1 "[ . 1 .+ 2]" 1
853 1 96 PRO HG3 1 102 GLN H . . 3.850 3.101 2.033 3.870 0.020 14 0 "[ . 1 . 2]" 1
854 1 96 PRO HG3 1 102 GLN HA . . 4.850 4.110 2.360 4.814 . 0 0 "[ . 1 . 2]" 1
855 1 102 GLN HA 1 103 PRO HD2 . . 2.540 2.221 1.976 2.612 0.072 20 0 "[ . 1 . 2]" 1
856 1 102 GLN HA 1 103 PRO HD3 . . 2.720 2.530 2.263 2.784 0.064 5 0 "[ . 1 . 2]" 1
857 1 103 PRO HA 1 104 PHE H . . 2.380 2.240 2.191 2.354 . 0 0 "[ . 1 . 2]" 1
858 1 103 PRO HA 1 104 PHE HA . . 4.620 4.348 4.328 4.378 . 0 0 "[ . 1 . 2]" 1
859 1 103 PRO HB2 1 104 PHE H . . 3.470 3.214 2.823 3.444 . 0 0 "[ . 1 . 2]" 1
860 1 103 PRO HB2 1 104 PHE HA . . 4.440 4.227 4.158 4.295 . 0 0 "[ . 1 . 2]" 1
861 1 103 PRO HB3 1 104 PHE H . . 3.990 3.753 3.515 3.903 . 0 0 "[ . 1 . 2]" 1
862 1 27 LEU QB 1 39 VAL QG . . 4.950 3.718 3.324 3.951 . 0 0 "[ . 1 . 2]" 1
863 1 27 LEU QB 1 35 TRP HB3 . . 2.930 2.510 2.242 3.208 0.278 5 0 "[ . 1 . 2]" 1
864 1 27 LEU HA 1 30 ALA MB . . 3.540 2.964 2.624 3.310 . 0 0 "[ . 1 . 2]" 1
865 1 25 SER H 1 26 SER H . . 2.880 2.687 2.636 2.780 . 0 0 "[ . 1 . 2]" 1
866 1 25 SER HA 1 28 ARG H . . 3.500 3.432 3.331 3.486 . 0 0 "[ . 1 . 2]" 1
867 1 25 SER HA 1 27 LEU H . . 4.710 4.340 3.989 4.456 . 0 0 "[ . 1 . 2]" 1
868 1 26 SER HA 1 27 LEU H . . 3.630 3.468 3.427 3.478 . 0 0 "[ . 1 . 2]" 1
869 1 26 SER HA 1 28 ARG H . . 4.380 4.216 3.992 4.314 . 0 0 "[ . 1 . 2]" 1
870 1 26 SER HA 1 29 ALA H . . 3.420 3.405 3.389 3.457 0.037 5 0 "[ . 1 . 2]" 1
871 1 28 ARG HA 1 30 ALA H . . 3.860 3.768 3.601 3.818 . 0 0 "[ . 1 . 2]" 1
872 1 24 THR HB 1 39 VAL QG . . 4.580 3.492 2.822 4.073 . 0 0 "[ . 1 . 2]" 1
873 1 24 THR MG 1 39 VAL QG . . 4.260 2.216 1.936 2.499 . 0 0 "[ . 1 . 2]" 1
874 1 93 LEU HA 1 105 ILE HA . . 2.740 2.662 2.184 2.917 0.177 9 0 "[ . 1 . 2]" 1
875 1 94 CYS HB2 1 106 MET H . . 4.850 4.532 4.205 4.949 0.099 8 0 "[ . 1 . 2]" 1
876 1 95 TYR HA 1 104 PHE H . . 4.330 3.452 3.291 4.092 . 0 0 "[ . 1 . 2]" 1
877 1 92 LYS H 1 105 ILE HA . . 4.160 4.152 3.889 4.236 0.076 1 0 "[ . 1 . 2]" 1
878 1 92 LYS H 1 106 MET QB . . 3.460 3.455 3.404 3.506 0.046 5 0 "[ . 1 . 2]" 1
879 1 92 LYS QB 1 106 MET H . . 3.910 3.770 3.542 3.921 0.011 16 0 "[ . 1 . 2]" 1
880 1 104 PHE HA 1 105 ILE HA . . 4.610 4.238 4.230 4.258 . 0 0 "[ . 1 . 2]" 1
881 1 104 PHE HA 1 105 ILE HB . . 4.910 4.353 4.195 4.573 . 0 0 "[ . 1 . 2]" 1
882 1 104 PHE QB 1 105 ILE HA . . 4.780 4.328 4.244 4.367 . 0 0 "[ . 1 . 2]" 1
883 1 104 PHE H 1 104 PHE QD . . 3.260 2.918 2.620 3.040 . 0 0 "[ . 1 . 2]" 1
884 1 104 PHE H 1 104 PHE HE2 . . 4.590 4.453 4.223 5.171 0.581 20 3 "[ . * - . +]" 1
885 1 95 TYR H 1 96 PRO HA . . 5.100 5.105 4.998 5.182 0.082 20 0 "[ . 1 . 2]" 1
886 1 95 TYR HB2 1 96 PRO QD . . 3.940 3.155 2.630 3.818 . 0 0 "[ . 1 . 2]" 1
887 1 103 PRO HA 1 104 PHE QB . . 4.780 4.394 4.330 4.445 . 0 0 "[ . 1 . 2]" 1
888 1 93 LEU HG 1 103 PRO HB2 . . 4.040 3.996 3.541 4.108 0.068 20 0 "[ . 1 . 2]" 1
889 1 93 LEU HG 1 103 PRO HB3 . . 4.430 4.580 4.506 4.645 0.215 17 0 "[ . 1 . 2]" 1
890 1 94 CYS HB2 1 103 PRO HA . . 4.870 5.120 4.895 5.222 0.352 18 0 "[ . 1 . 2]" 1
891 1 94 CYS HB2 1 106 MET QG . . 3.590 3.221 2.986 3.488 . 0 0 "[ . 1 . 2]" 1
892 1 94 CYS HG 1 106 MET QG . . 2.370 3.604 3.326 3.915 1.545 16 20 [*******-*******+****] 1
893 1 96 PRO QD 1 104 PHE QD . . 3.530 3.395 3.069 3.616 0.086 20 0 "[ . 1 . 2]" 1
894 1 104 PHE QD 1 106 MET H . . 4.010 4.024 3.935 4.110 0.100 20 0 "[ . 1 . 2]" 1
895 1 104 PHE QD 1 105 ILE H . . 3.910 3.806 3.601 3.894 . 0 0 "[ . 1 . 2]" 1
896 1 104 PHE QD 1 106 MET QG . . 2.350 2.322 2.132 2.418 0.068 15 0 "[ . 1 . 2]" 1
897 1 95 TYR H 1 95 TYR HD1 . . 3.410 3.330 2.393 3.869 0.459 14 0 "[ . 1 . 2]" 1
898 1 95 TYR HA 1 103 PRO HB2 . . 4.490 3.563 3.226 4.253 . 0 0 "[ . 1 . 2]" 1
899 1 95 TYR HA 1 103 PRO HB3 . . 3.120 2.480 2.093 3.067 . 0 0 "[ . 1 . 2]" 1
900 1 18 LYS HA 1 19 ILE H . . 2.380 2.333 2.286 2.369 . 0 0 "[ . 1 . 2]" 1
901 1 18 LYS HA 1 19 ILE HA . . 4.600 4.236 4.231 4.244 . 0 0 "[ . 1 . 2]" 1
902 1 18 LYS HA 1 19 ILE HB . . 4.810 4.773 4.650 4.864 0.054 16 0 "[ . 1 . 2]" 1
903 1 18 LYS HB2 1 19 ILE H . . 4.480 3.923 3.842 4.026 . 0 0 "[ . 1 . 2]" 1
904 1 19 ILE H 1 20 ILE H . . 4.690 4.494 4.472 4.559 . 0 0 "[ . 1 . 2]" 1
905 1 19 ILE HA 1 20 ILE HA . . 4.610 4.236 4.232 4.239 . 0 0 "[ . 1 . 2]" 1
906 1 19 ILE HB 1 20 ILE H . . 4.560 4.201 4.084 4.295 . 0 0 "[ . 1 . 2]" 1
907 1 20 ILE HA 1 21 SER H . . 3.670 3.387 3.374 3.408 . 0 0 "[ . 1 . 2]" 1
908 1 20 ILE HA 1 21 SER HA . . 4.600 4.484 4.455 4.522 . 0 0 "[ . 1 . 2]" 1
909 1 21 SER HA 1 22 ILE HA . . 4.690 4.388 4.364 4.410 . 0 0 "[ . 1 . 2]" 1
910 1 21 SER QB 1 22 ILE H . . 2.640 2.467 2.313 2.597 . 0 0 "[ . 1 . 2]" 1
911 1 21 SER HG 1 22 ILE H . . 4.810 4.006 2.459 5.037 0.227 14 0 "[ . 1 . 2]" 1
912 1 22 ILE HA 1 23 ASP HA . . 4.720 4.253 4.244 4.274 . 0 0 "[ . 1 . 2]" 1
913 1 22 ILE HA 1 23 ASP HB2 . . 4.670 4.231 4.074 4.479 . 0 0 "[ . 1 . 2]" 1
914 1 24 THR HB 1 27 LEU H . . 4.380 3.715 3.519 3.870 . 0 0 "[ . 1 . 2]" 1
915 1 24 THR HB 1 27 LEU QB . . 2.870 2.815 2.466 2.968 0.098 5 0 "[ . 1 . 2]" 1
916 1 26 SER QB 1 27 LEU H . . 3.740 2.686 2.516 2.890 . 0 0 "[ . 1 . 2]" 1
917 1 109 HIS H 1 110 ILE HA . . 4.720 4.785 4.740 4.838 0.118 8 0 "[ . 1 . 2]" 1
918 1 109 HIS HA 1 110 ILE H . . 2.380 2.140 2.137 2.145 . 0 0 "[ . 1 . 2]" 1
919 1 109 HIS HA 1 110 ILE HA . . 4.640 4.273 4.269 4.279 . 0 0 "[ . 1 . 2]" 1
920 1 109 HIS HA 1 110 ILE HB . . 4.670 4.663 4.566 4.914 0.244 15 0 "[ . 1 . 2]" 1
921 1 109 HIS H 1 109 HIS HB2 . . 2.880 2.743 2.700 2.815 . 0 0 "[ . 1 . 2]" 1
922 1 109 HIS H 1 109 HIS HB3 . . 3.990 3.739 3.707 3.778 . 0 0 "[ . 1 . 2]" 1
923 1 9 PHE H 1 10 MET H . . 4.630 4.380 4.319 4.416 . 0 0 "[ . 1 . 2]" 1
924 1 9 PHE HA 1 26 SER H . . 4.550 4.038 3.851 4.345 . 0 0 "[ . 1 . 2]" 1
925 1 9 PHE HA 1 27 LEU H . . 4.430 4.458 4.352 4.615 0.185 5 0 "[ . 1 . 2]" 1
926 1 9 PHE HB2 1 10 MET H . . 2.660 2.499 2.271 2.713 0.053 16 0 "[ . 1 . 2]" 1
927 1 10 MET HA 1 23 ASP H . . 4.950 4.542 4.371 4.645 . 0 0 "[ . 1 . 2]" 1
928 1 10 MET HA 1 108 ILE HA . . 2.620 2.382 2.202 2.472 . 0 0 "[ . 1 . 2]" 1
929 1 11 THR H 1 107 GLY H . . 3.070 2.689 2.559 2.791 . 0 0 "[ . 1 . 2]" 1
930 1 11 THR HA 1 22 ILE H . . 5.020 5.014 4.897 5.091 0.071 1 0 "[ . 1 . 2]" 1
931 1 11 THR HA 1 22 ILE HA . . 2.520 2.350 2.204 2.473 . 0 0 "[ . 1 . 2]" 1
932 1 11 THR HA 1 23 ASP H . . 3.740 3.233 3.063 3.489 . 0 0 "[ . 1 . 2]" 1
933 1 12 LYS HA 1 21 SER H . . 4.980 4.842 4.726 4.934 . 0 0 "[ . 1 . 2]" 1
934 1 12 LYS HA 1 105 ILE H . . 4.540 4.656 4.616 4.694 0.154 4 0 "[ . 1 . 2]" 1
935 1 12 LYS HA 1 106 MET HA . . 2.910 3.040 2.663 3.144 0.234 18 0 "[ . 1 . 2]" 1
936 1 12 LYS HA 1 107 GLY H . . 3.850 3.688 3.530 3.808 . 0 0 "[ . 1 . 2]" 1
937 1 13 GLN HA 1 19 ILE HA . . 2.520 2.597 2.337 2.651 0.131 4 0 "[ . 1 . 2]" 1
938 1 13 GLN QB 1 14 ASP H . . 3.210 2.952 2.798 3.233 0.023 20 0 "[ . 1 . 2]" 1
939 1 13 GLN QB 1 105 ILE H . . 3.490 3.180 2.862 3.471 . 0 0 "[ . 1 . 2]" 1
940 1 13 GLN HA 1 105 ILE H . . 4.850 4.521 4.364 4.627 . 0 0 "[ . 1 . 2]" 1
941 1 13 GLN QB 1 17 GLY H . . 3.620 3.796 3.709 4.479 0.859 20 1 "[ . 1 . +]" 1
942 1 13 GLN QB 1 18 LYS H . . 3.880 3.891 3.802 3.964 0.084 20 0 "[ . 1 . 2]" 1
943 1 14 ASP HA 1 105 ILE H . . 4.050 3.948 3.759 4.061 0.011 1 0 "[ . 1 . 2]" 1
944 1 14 ASP HB3 1 16 THR H . . 3.640 2.595 2.181 4.048 0.408 10 0 "[ . 1 . 2]" 1
945 1 49 PRO HA 1 50 GLN HA . . 4.580 4.319 4.304 4.326 . 0 0 "[ . 1 . 2]" 1
946 1 49 PRO HA 1 54 PRO HA . . 3.720 3.685 3.436 3.836 0.116 6 0 "[ . 1 . 2]" 1
947 1 49 PRO HA 1 55 SER HA . . 2.950 2.105 2.049 2.360 . 0 0 "[ . 1 . 2]" 1
948 1 49 PRO HA 1 55 SER H . . 3.100 2.858 2.773 2.936 . 0 0 "[ . 1 . 2]" 1
949 1 49 PRO HA 1 55 SER QB . . 2.980 2.740 2.502 2.936 . 0 0 "[ . 1 . 2]" 1
950 1 49 PRO HB2 1 50 GLN H . . 4.040 3.546 3.365 3.621 . 0 0 "[ . 1 . 2]" 1
951 1 49 PRO HB2 1 51 GLY H . . 4.350 4.046 3.699 4.482 0.132 14 0 "[ . 1 . 2]" 1
952 1 49 PRO HB3 1 50 GLN H . . 3.630 3.974 3.850 4.024 0.394 17 0 "[ . 1 . 2]" 1
953 1 49 PRO HB3 1 55 SER H . . 4.660 3.432 3.264 3.891 . 0 0 "[ . 1 . 2]" 1
954 1 13 GLN H 1 105 ILE HB . . 3.550 3.585 3.260 3.696 0.146 4 0 "[ . 1 . 2]" 1
955 1 13 GLN H 1 106 MET HA . . 4.130 3.857 3.688 3.974 . 0 0 "[ . 1 . 2]" 1
956 1 13 GLN HA 1 14 ASP HA . . 4.700 4.245 4.238 4.251 . 0 0 "[ . 1 . 2]" 1
957 1 14 ASP H 1 15 THR H . . 4.780 4.495 4.467 4.535 . 0 0 "[ . 1 . 2]" 1
958 1 14 ASP H 1 16 THR H . . 4.560 3.905 3.659 4.120 . 0 0 "[ . 1 . 2]" 1
959 1 14 ASP HA 1 104 PHE HA . . 3.160 3.213 3.024 3.350 0.190 18 0 "[ . 1 . 2]" 1
960 1 14 ASP HA 1 104 PHE QB . . 3.800 3.185 2.844 3.359 . 0 0 "[ . 1 . 2]" 1
961 1 14 ASP HB2 1 15 THR H . . 3.950 3.283 1.952 3.671 . 0 0 "[ . 1 . 2]" 1
962 1 15 THR HA 1 16 THR H . . 3.500 3.209 3.033 3.320 . 0 0 "[ . 1 . 2]" 1
963 1 15 THR HA 1 16 THR HA . . 4.710 4.497 4.424 4.562 . 0 0 "[ . 1 . 2]" 1
964 1 15 THR HB 1 16 THR H . . 4.430 4.142 3.417 4.420 . 0 0 "[ . 1 . 2]" 1
965 2 16 THR HA 2 17 GLU H . . 4.140 3.103 2.828 3.498 . 0 0 "[ . 1 . 2]" 1
966 2 17 GLU H 2 18 GLN H . . 2.900 2.142 1.656 2.628 . 0 0 "[ . 1 . 2]" 1
967 2 17 GLU HA 2 18 GLN H . . 3.580 3.281 3.104 3.397 . 0 0 "[ . 1 . 2]" 1
968 2 17 GLU HA 2 19 ASP H . . 4.540 4.178 3.844 4.553 0.013 20 0 "[ . 1 . 2]" 1
969 2 17 GLU H 2 19 ASP H . . 3.860 3.475 2.404 3.990 0.130 8 0 "[ . 1 . 2]" 1
970 2 17 GLU HA 2 20 LEU H . . 3.860 3.766 3.441 4.009 0.149 16 0 "[ . 1 . 2]" 1
971 2 16 THR H 2 17 GLU H . . 4.140 3.432 2.315 4.255 0.115 16 0 "[ . 1 . 2]" 1
972 2 17 GLU HA 2 21 THR H . . 4.380 4.323 3.779 4.435 0.055 4 0 "[ . 1 . 2]" 1
973 2 16 THR H 2 17 GLU QG . . 7.260 5.528 4.514 6.412 . 0 0 "[ . 1 . 2]" 1
974 2 16 THR MG 2 17 GLU H . . 6.520 3.415 1.870 4.397 . 0 0 "[ . 1 . 2]" 1
975 2 17 GLU HA 2 17 GLU HB3 . . 2.810 2.421 2.233 2.702 . 0 0 "[ . 1 . 2]" 1
976 2 17 GLU HA 2 17 GLU HB2 . . 2.810 2.448 2.150 2.742 . 0 0 "[ . 1 . 2]" 1
977 2 18 GLN H 2 18 GLN HB2 . . 3.240 2.431 2.142 3.067 . 0 0 "[ . 1 . 2]" 1
978 2 18 GLN HA 2 21 THR H . . 3.550 3.536 3.470 3.614 0.064 17 0 "[ . 1 . 2]" 1
979 2 18 GLN H 2 18 GLN HB3 . . 3.390 3.040 2.270 3.367 . 0 0 "[ . 1 . 2]" 1
980 2 18 GLN HB2 2 19 ASP H . . 3.610 3.540 3.210 4.198 0.588 10 1 "[ . + . 2]" 1
981 2 18 GLN HA 2 20 LEU H . . 4.570 4.207 3.686 4.422 . 0 0 "[ . 1 . 2]" 1
982 2 16 THR H 2 18 GLN H . . 3.790 3.726 2.761 3.879 0.089 12 0 "[ . 1 . 2]" 1
983 2 16 THR HA 2 18 GLN H . . 4.860 4.463 4.025 4.934 0.074 7 0 "[ . 1 . 2]" 1
984 2 18 GLN H 2 19 ASP H . . 2.990 2.127 1.890 2.446 . 0 0 "[ . 1 . 2]" 1
985 2 18 GLN H 2 20 LEU H . . 3.950 3.738 3.466 4.032 0.082 9 0 "[ . 1 . 2]" 1
986 2 18 GLN HA 2 22 LYS H . . 4.320 4.278 4.143 4.346 0.026 4 0 "[ . 1 . 2]" 1
987 2 18 GLN H 2 18 GLN HE22 . . 5.500 5.117 3.756 6.359 0.859 5 5 "[ * + * 1 - . *2]" 1
988 2 18 GLN HA 2 18 GLN HB2 . . 2.860 2.661 2.292 2.801 . 0 0 "[ . 1 . 2]" 1
989 2 18 GLN HA 2 18 GLN HB3 . . 2.840 2.757 2.665 2.886 0.046 7 0 "[ . 1 . 2]" 1
990 2 18 GLN HA 2 18 GLN QG . . 3.830 2.328 2.118 2.603 . 0 0 "[ . 1 . 2]" 1
991 2 18 GLN QG 2 21 THR HB . . 4.820 4.535 4.332 4.798 . 0 0 "[ . 1 . 2]" 1
992 2 18 GLN HE21 2 20 LEU QD . . 7.540 6.932 6.686 7.202 . 0 0 "[ . 1 . 2]" 1
993 2 18 GLN QG 2 21 THR MG . . 7.540 4.206 3.589 5.050 . 0 0 "[ . 1 . 2]" 1
994 2 18 GLN HA 2 21 THR MG . . 6.210 3.694 3.174 4.724 . 0 0 "[ . 1 . 2]" 1
995 2 18 GLN HA 2 19 ASP H . . 3.610 3.377 3.305 3.477 . 0 0 "[ . 1 . 2]" 1
996 2 19 ASP HA 2 23 LEU H . . 4.350 4.049 3.778 4.265 . 0 0 "[ . 1 . 2]" 1
997 2 19 ASP H 2 19 ASP HB3 . . 2.860 2.852 2.798 2.933 0.073 5 0 "[ . 1 . 2]" 1
998 2 19 ASP H 2 19 ASP HB2 . . 2.740 2.305 2.222 2.414 . 0 0 "[ . 1 . 2]" 1
999 2 19 ASP H 2 19 ASP HA . . 2.830 2.834 2.802 2.871 0.041 17 0 "[ . 1 . 2]" 1
1000 2 19 ASP H 2 20 LEU H . . 2.990 2.403 2.227 2.565 . 0 0 "[ . 1 . 2]" 1
1001 2 19 ASP HB3 2 20 LEU H . . 3.730 2.900 2.659 3.486 . 0 0 "[ . 1 . 2]" 1
1002 2 19 ASP HB2 2 20 LEU H . . 3.920 3.623 3.424 3.946 0.026 17 0 "[ . 1 . 2]" 1
1003 2 19 ASP H 2 21 THR H . . 3.980 3.957 3.750 4.085 0.105 17 0 "[ . 1 . 2]" 1
1004 2 19 ASP HA 2 21 THR H . . 4.630 4.331 4.179 4.526 . 0 0 "[ . 1 . 2]" 1
1005 2 19 ASP HA 2 22 LYS H . . 3.480 3.515 3.464 3.635 0.155 17 0 "[ . 1 . 2]" 1
1006 2 19 ASP HA 2 20 LEU HB2 . . 5.600 5.460 5.296 5.572 . 0 0 "[ . 1 . 2]" 1
1007 2 19 ASP HB3 2 20 LEU HB2 . . 5.500 4.496 4.311 4.676 . 0 0 "[ . 1 . 2]" 1
1008 2 19 ASP HB2 2 20 LEU HB2 . . 5.500 5.501 5.465 5.560 0.060 5 0 "[ . 1 . 2]" 1
1009 2 19 ASP HB2 2 20 LEU QD . . 7.290 4.862 3.564 5.762 . 0 0 "[ . 1 . 2]" 1
1010 2 20 LEU H 2 20 LEU HB3 . . 4.010 3.326 3.191 3.457 . 0 0 "[ . 1 . 2]" 1
1011 2 20 LEU H 2 20 LEU HB2 . . 2.990 2.142 2.084 2.239 . 0 0 "[ . 1 . 2]" 1
1012 2 20 LEU H 2 21 THR HB . . 4.260 4.391 4.313 4.495 0.235 9 0 "[ . 1 . 2]" 1
1013 2 20 LEU HB2 2 21 THR H . . 3.020 2.994 2.724 3.085 0.065 2 0 "[ . 1 . 2]" 1
1014 2 20 LEU HA 2 21 THR H . . 3.610 3.451 3.429 3.471 . 0 0 "[ . 1 . 2]" 1
1015 2 20 LEU H 2 21 THR H . . 2.930 2.470 2.206 2.620 . 0 0 "[ . 1 . 2]" 1
1016 2 20 LEU HA 2 23 LEU H . . 3.580 3.491 3.273 3.634 0.054 17 0 "[ . 1 . 2]" 1
1017 2 20 LEU H 2 22 LYS H . . 4.260 3.904 3.435 4.085 . 0 0 "[ . 1 . 2]" 1
1018 2 20 LEU HA 2 24 LEU H . . 4.260 3.984 3.753 4.239 . 0 0 "[ . 1 . 2]" 1
1019 2 20 LEU HA 2 22 LYS H . . 4.540 4.122 4.000 4.280 . 0 0 "[ . 1 . 2]" 1
1020 2 20 LEU H 2 20 LEU HG . . 3.830 3.680 3.356 3.944 0.114 5 0 "[ . 1 . 2]" 1
1021 2 20 LEU QD 2 22 LYS HA . . 6.850 6.749 6.641 6.939 0.089 5 0 "[ . 1 . 2]" 1
1022 2 20 LEU HG 2 21 THR MG . . 7.530 7.523 7.478 7.604 0.074 20 0 "[ . 1 . 2]" 1
1023 2 21 THR HB 2 22 LYS H . . 3.300 3.174 3.015 3.320 0.020 10 0 "[ . 1 . 2]" 1
1024 2 21 THR HA 2 22 LYS H . . 3.640 3.419 3.371 3.451 . 0 0 "[ . 1 . 2]" 1
1025 2 21 THR H 2 21 THR HB . . 3.140 2.157 2.104 2.369 . 0 0 "[ . 1 . 2]" 1
1026 2 21 THR H 2 21 THR HA . . 3.050 2.799 2.774 2.821 . 0 0 "[ . 1 . 2]" 1
1027 2 21 THR H 2 22 LYS H . . 2.800 2.547 2.465 2.639 . 0 0 "[ . 1 . 2]" 1
1028 2 21 THR H 2 23 LEU H . . 4.290 4.193 3.770 4.349 0.059 15 0 "[ . 1 . 2]" 1
1029 2 21 THR HA 2 24 LEU H . . 3.700 3.576 3.425 3.738 0.038 5 0 "[ . 1 . 2]" 1
1030 2 21 THR HA 2 25 LEU H . . 4.200 4.174 4.082 4.205 0.005 13 0 "[ . 1 . 2]" 1
1031 2 21 THR MG 2 22 LYS H . . 5.860 2.857 2.485 3.654 . 0 0 "[ . 1 . 2]" 1
1032 2 21 THR MG 2 23 LEU H . . 5.490 4.722 4.238 5.284 . 0 0 "[ . 1 . 2]" 1
1033 2 21 THR MG 2 24 LEU H . . 6.920 4.701 4.518 4.860 . 0 0 "[ . 1 . 2]" 1
1034 2 21 THR H 2 24 LEU QD . . 9.290 4.142 3.612 4.517 . 0 0 "[ . 1 . 2]" 1
1035 2 21 THR H 2 23 LEU QB . . 5.590 5.174 4.657 5.364 . 0 0 "[ . 1 . 2]" 1
1036 2 22 LYS H 2 22 LYS HA . . 2.770 2.835 2.806 2.855 0.085 5 0 "[ . 1 . 2]" 1
1037 2 22 LYS H 2 23 LEU H . . 2.960 2.488 2.350 2.590 . 0 0 "[ . 1 . 2]" 1
1038 2 22 LYS HA 2 23 LEU H . . 3.580 3.469 3.351 3.490 . 0 0 "[ . 1 . 2]" 1
1039 2 22 LYS H 2 25 LEU H . . 4.940 4.677 4.539 4.774 . 0 0 "[ . 1 . 2]" 1
1040 2 22 LYS QB 2 23 LEU H . . 4.970 2.654 2.386 3.633 . 0 0 "[ . 1 . 2]" 1
1041 2 22 LYS HA 2 24 LEU H . . 4.570 4.079 3.849 4.354 . 0 0 "[ . 1 . 2]" 1
1042 2 22 LYS HA 2 25 LEU H . . 3.520 3.502 3.384 3.563 0.043 4 0 "[ . 1 . 2]" 1
1043 2 22 LYS H 2 22 LYS QD . . 4.450 4.004 2.311 4.237 . 0 0 "[ . 1 . 2]" 1
1044 2 22 LYS QD 2 24 LEU H . . 4.910 4.796 4.619 4.932 0.022 11 0 "[ . 1 . 2]" 1
1045 2 22 LYS H 2 23 LEU QD . . 7.110 4.193 3.633 5.211 . 0 0 "[ . 1 . 2]" 1
1046 2 23 LEU H 2 23 LEU HA . . 3.080 2.811 2.781 2.863 . 0 0 "[ . 1 . 2]" 1
1047 2 23 LEU H 2 25 LEU H . . 4.260 4.110 3.668 4.273 0.013 13 0 "[ . 1 . 2]" 1
1048 2 23 LEU H 2 24 LEU H . . 2.930 2.502 2.289 2.608 . 0 0 "[ . 1 . 2]" 1
1049 2 23 LEU HA 2 24 LEU H . . 3.580 3.391 3.323 3.454 . 0 0 "[ . 1 . 2]" 1
1050 2 23 LEU HA 2 26 GLU H . . 3.700 3.734 3.709 3.774 0.074 11 0 "[ . 1 . 2]" 1
1051 2 23 LEU QB 2 24 LEU H . . 5.400 2.939 2.723 3.206 . 0 0 "[ . 1 . 2]" 1
1052 2 23 LEU H 2 23 LEU HG . . 3.880 3.564 2.376 4.062 0.182 4 0 "[ . 1 . 2]" 1
1053 2 24 LEU H 2 26 GLU H . . 4.260 4.261 4.168 4.296 0.036 4 0 "[ . 1 . 2]" 1
1054 2 24 LEU HA 2 25 LEU H . . 3.730 3.438 3.405 3.453 . 0 0 "[ . 1 . 2]" 1
1055 2 24 LEU H 2 24 LEU HG . . 3.080 2.933 2.457 3.142 0.062 11 0 "[ . 1 . 2]" 1
1056 2 24 LEU H 2 25 LEU QD . . 9.080 4.833 4.707 4.937 . 0 0 "[ . 1 . 2]" 1
1057 2 25 LEU H 2 25 LEU HB2 . . 2.400 2.285 2.218 3.378 0.978 9 1 "[ . +1 . 2]" 1
1058 2 25 LEU H 2 25 LEU HA . . 3.050 2.796 2.772 2.822 . 0 0 "[ . 1 . 2]" 1
1059 2 25 LEU H 2 26 GLU H . . 2.960 2.694 2.595 2.766 . 0 0 "[ . 1 . 2]" 1
1060 2 25 LEU H 2 25 LEU HB3 . . 3.520 3.385 2.133 3.459 . 0 0 "[ . 1 . 2]" 1
1061 2 25 LEU HB2 2 26 GLU H . . 3.140 2.610 2.507 3.810 0.670 9 1 "[ . +1 . 2]" 1
1062 2 25 LEU HB3 2 26 GLU H . . 3.080 3.116 3.091 3.269 0.189 9 0 "[ . 1 . 2]" 1
1063 2 25 LEU H 2 25 LEU HG . . 2.800 2.867 2.839 3.136 0.336 9 0 "[ . 1 . 2]" 1
1064 2 25 LEU QD 2 26 GLU H . . 9.010 3.927 2.640 4.010 . 0 0 "[ . 1 . 2]" 1
1065 2 26 GLU H 2 26 GLU HA . . 2.800 2.524 2.278 2.807 0.007 20 0 "[ . 1 . 2]" 1
1066 2 26 GLU QB 2 27 GLY H . . 5.280 3.063 1.938 3.881 . 0 0 "[ . 1 . 2]" 1
1067 2 26 GLU H 2 26 GLU HG3 . . 3.210 2.969 2.360 3.227 0.017 7 0 "[ . 1 . 2]" 1
1068 2 26 GLU H 2 26 GLU HG2 . . 3.140 3.017 2.302 3.195 0.055 10 0 "[ . 1 . 2]" 1
1069 2 27 GLY HA3 2 28 GLN H . . 3.670 3.230 2.581 3.499 . 0 0 "[ . 1 . 2]" 1
1070 2 27 GLY H 2 28 GLN H . . 3.390 2.611 2.071 3.341 . 0 0 "[ . 1 . 2]" 1
1071 2 27 GLY H 2 27 GLY HA2 . . 3.020 2.579 2.267 2.900 . 0 0 "[ . 1 . 2]" 1
1072 2 28 GLN H 2 28 GLN HB3 . . 3.550 3.112 2.329 3.557 0.007 18 0 "[ . 1 . 2]" 1
1073 2 28 GLN H 2 28 GLN HB2 . . 3.110 2.714 2.088 3.506 0.396 17 0 "[ . 1 . 2]" 1
1074 2 28 GLN H 2 28 GLN HA . . 2.900 2.700 2.250 2.877 . 0 0 "[ . 1 . 2]" 1
1075 2 28 GLN H 2 28 GLN HG2 . . 4.570 4.166 2.444 4.694 0.124 18 0 "[ . 1 . 2]" 1
1076 2 28 GLN H 2 28 GLN HG3 . . 4.760 4.167 2.307 4.744 . 0 0 "[ . 1 . 2]" 1
1077 2 29 GLY QA 2 30 GLU H . . 5.650 2.326 2.118 2.850 . 0 0 "[ . 1 . 2]" 1
1078 2 30 GLU H 2 30 GLU HB3 . . 3.520 3.468 2.483 3.925 0.405 9 0 "[ . 1 . 2]" 1
1079 2 30 GLU H 2 30 GLU HB2 . . 3.950 2.913 2.234 3.546 . 0 0 "[ . 1 . 2]" 1
1080 1 22 ILE MD 2 24 LEU HG . . 4.320 3.790 2.353 5.017 0.697 3 1 "[ + . 1 . 2]" 1
1081 1 19 ILE MD 2 20 LEU QD . . 4.730 3.266 1.830 5.166 0.436 19 0 "[ . 1 . 2]" 1
1082 1 22 ILE MD 2 20 LEU QD . . 3.570 2.015 0.677 3.194 . 0 0 "[ . 1 . 2]" 1
1083 1 40 ARG QG 2 20 LEU QD . . 4.800 3.127 2.304 4.774 . 0 0 "[ . 1 . 2]" 1
1084 1 40 ARG QD 2 20 LEU QD . . 4.950 3.770 2.211 5.429 0.479 13 0 "[ . 1 . 2]" 1
1085 1 36 GLU HA 2 24 LEU QD . . 4.370 3.756 2.552 4.555 0.185 10 0 "[ . 1 . 2]" 1
1086 1 36 GLU QG 2 24 LEU QD . . 3.010 2.530 1.587 3.202 0.192 10 0 "[ . 1 . 2]" 1
1087 1 36 GLU QG 2 24 LEU QB . . 4.260 4.184 2.510 5.225 0.965 10 3 "[ .- * + . 2]" 1
1088 1 39 VAL HB 2 24 LEU QD . . 4.490 3.964 2.717 4.906 0.416 8 0 "[ . 1 . 2]" 1
1089 1 39 VAL QG 2 24 LEU QD . . 4.580 2.835 1.649 3.573 . 0 0 "[ . 1 . 2]" 1
1090 1 40 ARG QG 2 24 LEU QD . . 3.580 3.852 2.509 4.836 1.256 13 7 "[ .*** * + .-* 2]" 1
1091 1 43 ILE MD 2 20 LEU QD . . 3.600 2.680 1.695 3.776 0.176 5 0 "[ . 1 . 2]" 1
1092 2 15 PRO HA 2 16 THR H . . 4.290 2.601 2.220 2.710 . 0 0 "[ . 1 . 2]" 1
1093 2 15 PRO QB 2 16 THR H . . 3.140 2.191 1.957 3.110 . 0 0 "[ . 1 . 2]" 1
1094 2 15 PRO QG 2 17 GLU H . . 6.750 5.552 2.733 6.683 . 0 0 "[ . 1 . 2]" 1
1095 2 12 LEU HA 2 13 LEU H . . 2.860 2.527 2.142 2.863 0.003 15 0 "[ . 1 . 2]" 1
1096 2 13 LEU H 2 13 LEU HA . . 3.020 2.753 2.588 2.904 . 0 0 "[ . 1 . 2]" 1
1097 2 13 LEU H 2 13 LEU HB2 . . 2.960 2.442 2.089 2.922 . 0 0 "[ . 1 . 2]" 1
1098 2 12 LEU H 2 13 LEU H . . 3.670 3.152 1.880 4.346 0.676 17 1 "[ . 1 . + 2]" 1
1099 2 11 PRO QD 2 13 LEU H . . 7.280 5.908 4.714 7.423 0.143 17 0 "[ . 1 . 2]" 1
1100 2 13 LEU H 2 13 LEU HG . . 3.860 3.206 2.023 4.094 0.234 17 0 "[ . 1 . 2]" 1
1101 2 12 LEU QD 2 13 LEU H . . 6.550 3.365 2.519 4.150 . 0 0 "[ . 1 . 2]" 1
1102 1 47 PHE QB 2 14 PRO HB3 . . 2.720 2.641 1.971 3.410 0.690 13 4 "[ . *- * + . 2]" 1
1103 1 47 PHE QB 2 14 PRO QG . . 3.930 2.538 1.634 3.338 . 0 0 "[ . 1 . 2]" 1
1104 1 47 PHE QD 2 14 PRO QG . . 4.560 3.619 2.395 4.856 0.296 19 0 "[ . 1 . 2]" 1
1105 1 47 PHE QD 2 14 PRO HB3 . . 4.900 2.759 1.837 3.652 . 0 0 "[ . 1 . 2]" 1
1106 1 47 PHE QD 2 15 PRO HD2 . . 4.650 4.107 3.065 4.976 0.326 20 0 "[ . 1 . 2]" 1
1107 1 47 PHE QB 2 14 PRO HA . . 4.010 4.459 3.858 5.333 1.323 10 9 "[ *.-***+ * . * *]" 1
1108 1 47 PHE HA 2 14 PRO QG . . 4.850 4.796 4.067 5.790 0.940 19 3 "[ -. * 1 . +2]" 1
1109 1 57 ALA MB 2 12 LEU QD . . 4.100 2.635 1.841 3.959 . 0 0 "[ . 1 . 2]" 1
1110 1 43 ILE MG 2 20 LEU QD . . 4.730 2.949 2.138 3.888 . 0 0 "[ . 1 . 2]" 1
1111 1 43 ILE HB 2 20 LEU QD . . 4.340 3.892 2.888 5.222 0.882 13 2 "[ . - 1 + . 2]" 1
1112 1 43 ILE MG 2 15 PRO HD2 . . 4.940 3.707 2.595 4.264 . 0 0 "[ . 1 . 2]" 1
1113 1 21 SER HA 2 23 LEU HG . . 3.710 3.049 1.817 4.270 0.560 19 1 "[ . 1 . +2]" 1
1114 1 21 SER HA 2 23 LEU HA . . 4.300 4.359 3.738 5.574 1.274 19 6 "[ **. * 1* - . +2]" 1
1115 1 21 SER HA 2 23 LEU QD . . 3.190 1.807 0.523 3.188 . 0 0 "[ . 1 . 2]" 1
1116 1 61 PHE HB2 2 12 LEU QD . . 3.800 2.292 1.502 3.221 . 0 0 "[ . 1 . 2]" 1
1117 1 61 PHE QD 2 12 LEU QD . . 4.220 2.122 0.844 2.927 . 0 0 "[ . 1 . 2]" 1
1118 1 19 ILE HB 2 15 PRO QG . . 4.230 3.597 2.045 4.821 0.591 19 1 "[ . 1 . +2]" 1
1119 1 19 ILE HB 2 15 PRO QB . . 4.060 3.699 2.430 5.193 1.133 19 3 "[ * 1- . +2]" 1
1120 1 17 GLY HA2 2 12 LEU QD . . 4.440 4.079 2.890 5.396 0.956 19 1 "[ . 1 . +2]" 1
1121 1 17 GLY HA3 2 12 LEU QD . . 5.110 3.715 2.184 4.727 . 0 0 "[ . 1 . 2]" 1
1122 1 17 GLY HA3 2 12 LEU HG . . 4.600 4.393 2.749 5.577 0.977 19 2 "[- . 1 . +2]" 1
1123 1 20 ILE HA 2 23 LEU QD . . 3.760 3.186 2.510 3.962 0.202 13 0 "[ . 1 . 2]" 1
1124 1 22 ILE HB 2 24 LEU QD . . 3.930 3.371 1.770 4.528 0.598 3 1 "[ + . 1 . 2]" 1
1125 1 24 THR MG 2 24 LEU QD . . 3.300 2.646 1.748 3.709 0.409 20 0 "[ . 1 . 2]" 1
1126 1 35 TRP HZ3 2 24 LEU QD . . 3.420 2.243 1.368 3.008 . 0 0 "[ . 1 . 2]" 1
1127 1 35 TRP HH2 2 24 LEU QD . . 4.540 2.532 1.216 3.180 . 0 0 "[ . 1 . 2]" 1
1128 2 8 ILE MD 2 9 PHE QD . . 6.210 5.950 5.558 6.224 0.014 19 0 "[ . 1 . 2]" 1
1129 1 93 LEU HA 2 4 ILE MG . . 6.610 4.051 3.257 5.572 . 0 0 "[ . 1 . 2]" 1
1130 1 61 PHE HA 2 4 ILE MG . . 6.520 7.083 6.050 8.243 1.723 10 11 "[ *.****+ * .*-* *]" 1
1131 1 105 ILE MD 2 4 ILE MG . . 4.440 2.827 2.004 4.079 . 0 0 "[ . 1 . 2]" 1
1132 1 95 TYR QD 2 8 ILE MG . . 11.180 7.599 5.819 9.557 . 0 0 "[ . 1 . 2]" 1
1133 1 103 PRO QG 2 8 ILE MG . . 8.080 4.791 3.083 6.918 . 0 0 "[ . 1 . 2]" 1
1134 1 105 ILE MD 2 8 ILE MG . . 8.180 2.650 1.179 3.749 . 0 0 "[ . 1 . 2]" 1
1135 1 95 TYR QD 2 4 ILE MG . . 4.630 4.344 3.022 5.734 1.104 19 2 "[ . 1- . +2]" 1
1136 1 104 PHE QB 2 4 ILE MG . . 7.540 5.680 4.989 6.453 . 0 0 "[ . 1 . 2]" 1
1137 2 2 THR HA 2 4 ILE H . . 5.070 4.380 3.053 5.089 0.019 10 0 "[ . 1 . 2]" 1
1138 2 3 TRP HB3 2 4 ILE H . . 3.740 3.665 2.245 4.513 0.773 4 5 "[ +* * - * . 2]" 1
1139 2 3 TRP H 2 3 TRP HB2 . . 3.480 2.794 2.198 3.672 0.192 4 0 "[ . 1 . 2]" 1
1140 2 2 THR HA 2 3 TRP H . . 3.360 2.566 2.137 3.426 0.066 4 0 "[ . 1 . 2]" 1
1141 2 3 TRP H 2 3 TRP HB3 . . 3.610 3.444 2.786 3.816 0.206 4 0 "[ . 1 . 2]" 1
1142 2 3 TRP HD1 2 4 ILE H . . 4.420 4.164 1.943 4.600 0.180 4 0 "[ . 1 . 2]" 1
1143 2 4 ILE HB 2 5 GLY H . . 4.180 3.608 2.761 4.160 . 0 0 "[ . 1 . 2]" 1
1144 2 4 ILE HA 2 5 GLY H . . 3.550 3.287 2.748 3.493 . 0 0 "[ . 1 . 2]" 1
1145 2 4 ILE H 2 4 ILE HB . . 3.630 2.697 2.113 3.743 0.113 19 0 "[ . 1 . 2]" 1
1146 2 4 ILE H 2 4 ILE HA . . 2.990 2.630 2.226 2.879 . 0 0 "[ . 1 . 2]" 1
1147 2 4 ILE H 2 5 GLY H . . 2.970 2.645 1.924 2.975 0.005 8 0 "[ . 1 . 2]" 1
1148 2 4 ILE QG 2 6 GLU H . . 4.760 4.651 3.882 4.839 0.079 18 0 "[ . 1 . 2]" 1
1149 2 4 ILE H 2 4 ILE QG . . 4.170 3.248 1.959 3.740 . 0 0 "[ . 1 . 2]" 1
1150 2 4 ILE QG 2 7 ASP H . . 4.790 4.269 2.926 4.887 0.097 1 0 "[ . 1 . 2]" 1
1151 2 4 ILE MD 2 5 GLY H . . 5.900 4.868 3.162 5.302 . 0 0 "[ . 1 . 2]" 1
1152 2 4 ILE MD 2 6 GLU H . . 7.540 5.755 4.840 5.985 . 0 0 "[ . 1 . 2]" 1
1153 2 4 ILE MD 2 7 ASP H . . 7.540 5.580 4.267 6.075 . 0 0 "[ . 1 . 2]" 1
1154 2 5 GLY QA 2 6 GLU H . . 4.660 2.824 2.732 2.869 . 0 0 "[ . 1 . 2]" 1
1155 2 5 GLY H 2 6 GLU H . . 2.960 2.811 2.591 3.034 0.074 13 0 "[ . 1 . 2]" 1
1156 2 5 GLY QA 2 7 ASP H . . 4.600 3.952 3.747 4.161 . 0 0 "[ . 1 . 2]" 1
1157 2 5 GLY QA 2 8 ILE H . . 7.040 4.469 3.964 5.268 . 0 0 "[ . 1 . 2]" 1
1158 2 5 GLY QA 2 9 PHE H . . 7.260 6.170 5.623 6.913 . 0 0 "[ . 1 . 2]" 1
1159 2 6 GLU H 2 6 GLU HB3 . . 3.110 3.480 3.225 3.812 0.702 19 4 "[ . 1 - . **+2]" 1
1160 2 6 GLU H 2 6 GLU HA . . 2.930 2.853 2.704 2.914 . 0 0 "[ . 1 . 2]" 1
1161 2 6 GLU HB3 2 7 ASP H . . 3.700 3.709 3.162 3.932 0.232 1 0 "[ . 1 . 2]" 1
1162 2 6 GLU H 2 7 ASP H . . 2.800 1.691 1.445 1.928 . 0 0 "[ . 1 . 2]" 1
1163 2 6 GLU H 2 6 GLU HB2 . . 3.800 2.826 2.466 3.223 . 0 0 "[ . 1 . 2]" 1
1164 2 6 GLU HB2 2 7 ASP H . . 3.830 3.753 3.392 3.923 0.093 1 0 "[ . 1 . 2]" 1
1165 2 6 GLU HB3 2 8 ILE H . . 4.940 5.148 3.242 5.509 0.569 16 1 "[ . 1 .+ 2]" 1
1166 2 6 GLU HA 2 8 ILE H . . 3.820 3.857 3.588 4.396 0.576 19 1 "[ . 1 . +2]" 1
1167 2 6 GLU QG 2 7 ASP H . . 7.260 4.650 4.440 4.749 . 0 0 "[ . 1 . 2]" 1
1168 2 6 GLU QG 2 8 ILE H . . 7.260 5.479 4.893 5.678 . 0 0 "[ . 1 . 2]" 1
1169 2 7 ASP HA 2 8 ILE H . . 3.500 3.280 2.914 3.393 . 0 0 "[ . 1 . 2]" 1
1170 2 7 ASP HB3 2 9 PHE H . . 4.570 4.906 3.050 5.160 0.590 16 4 "[ - * * .+ 2]" 1
1171 2 7 ASP H 2 8 ILE H . . 2.230 2.203 1.903 2.579 0.349 19 0 "[ . 1 . 2]" 1
1172 2 7 ASP HB3 2 8 ILE H . . 4.260 3.561 2.976 3.977 . 0 0 "[ . 1 . 2]" 1
1173 2 7 ASP H 2 7 ASP HB3 . . 3.400 3.221 2.636 3.671 0.271 19 0 "[ . 1 . 2]" 1
1174 2 7 ASP H 2 7 ASP HB2 . . 3.150 2.352 2.162 3.139 . 0 0 "[ . 1 . 2]" 1
1175 2 7 ASP HB2 2 8 ILE H . . 4.110 3.615 3.211 4.439 0.329 19 0 "[ . 1 . 2]" 1
1176 2 8 ILE H 2 8 ILE HB . . 3.700 3.545 2.802 3.730 0.030 19 0 "[ . 1 . 2]" 1
1177 2 8 ILE H 2 8 ILE HA . . 2.800 2.822 2.222 2.877 0.077 16 0 "[ . 1 . 2]" 1
1178 2 8 ILE HB 2 9 PHE H . . 4.350 4.188 3.654 4.452 0.102 6 0 "[ . 1 . 2]" 1
1179 2 8 ILE HA 2 9 PHE H . . 3.270 3.024 2.701 3.311 0.041 14 0 "[ . 1 . 2]" 1
1180 2 8 ILE H 2 9 PHE H . . 2.840 2.591 2.323 2.911 0.071 3 0 "[ . 1 . 2]" 1
1181 2 8 ILE H 2 9 PHE QB . . 5.300 4.829 3.912 5.304 0.004 14 0 "[ . 1 . 2]" 1
1182 2 8 ILE H 2 8 ILE HG13 . . 3.140 2.825 1.846 3.349 0.209 3 0 "[ . 1 . 2]" 1
1183 2 8 ILE H 2 8 ILE HG12 . . 3.700 2.096 1.783 3.331 . 0 0 "[ . 1 . 2]" 1
1184 2 8 ILE H 2 9 PHE QD . . 4.140 4.037 3.514 4.295 0.155 1 0 "[ . 1 . 2]" 1
1185 2 8 ILE HG12 2 9 PHE H . . 5.000 3.842 2.933 5.093 0.093 19 0 "[ . 1 . 2]" 1
1186 2 8 ILE MD 2 9 PHE H . . 5.900 4.818 4.215 5.224 . 0 0 "[ . 1 . 2]" 1
1187 2 9 PHE H 2 9 PHE QB . . 3.360 2.904 2.048 3.385 0.025 11 0 "[ . 1 . 2]" 1
1188 2 9 PHE H 2 9 PHE HA . . 3.080 2.475 2.231 2.886 . 0 0 "[ . 1 . 2]" 1
1189 2 9 PHE H 2 9 PHE QD . . 3.450 2.471 1.840 3.204 . 0 0 "[ . 1 . 2]" 1
1190 2 9 PHE H 2 10 PRO QG . . 7.280 4.936 3.625 6.000 . 0 0 "[ . 1 . 2]" 1
1191 1 57 ALA HA 2 12 LEU QD . . 5.150 4.181 2.879 5.254 0.104 10 0 "[ . 1 . 2]" 1
1192 1 105 ILE HB 2 4 ILE MG . . 4.650 5.023 4.294 5.759 1.109 10 7 "[ .* **+ * . * -]" 1
1193 1 93 LEU QB 2 4 ILE MG . . 4.440 3.319 2.397 5.224 0.784 8 1 "[ . + 1 . 2]" 1
1194 1 105 ILE HB 2 8 ILE MG . . 5.400 4.488 3.318 5.573 0.173 18 0 "[ . 1 . 2]" 1
1195 1 104 PHE QB 2 8 ILE MG . . 6.640 6.046 4.951 6.814 0.174 19 0 "[ . 1 . 2]" 1
1196 1 93 LEU HA 2 8 ILE MG . . 7.540 6.209 5.120 7.684 0.144 4 0 "[ . 1 . 2]" 1
1197 1 61 PHE HA 2 8 ILE MG . . 6.980 6.310 4.485 7.721 0.741 18 2 "[ . - . + 2]" 1
1198 1 95 TYR QD 2 8 ILE MD . . 11.800 7.185 5.718 8.694 . 0 0 "[ . 1 . 2]" 1
1199 1 93 LEU HA 2 8 ILE MD . . 6.890 5.347 4.123 6.322 . 0 0 "[ . 1 . 2]" 1
1200 1 103 PRO QG 2 8 ILE MD . . 7.800 5.664 4.661 6.893 . 0 0 "[ . 1 . 2]" 1
1201 1 105 ILE HB 2 8 ILE MD . . 5.490 4.625 3.792 5.331 . 0 0 "[ . 1 . 2]" 1
1202 1 93 LEU QB 2 8 ILE MD . . 4.600 4.224 2.824 5.043 0.443 5 0 "[ . 1 . 2]" 1
1203 1 105 ILE MD 2 8 ILE MD . . 8.340 2.110 0.789 3.210 . 0 0 "[ . 1 . 2]" 1
1204 1 95 TYR HB3 2 4 ILE MD . . 5.380 4.933 3.756 6.041 0.661 19 3 "[ - 1* . +2]" 1
1205 1 93 LEU HA 2 4 ILE MD . . 4.560 4.498 3.840 5.496 0.936 18 4 "[ -. * 1 . + *]" 1
1206 1 61 PHE HA 2 4 ILE MD . . 7.540 7.957 6.620 9.053 1.513 13 10 "[ *.***-* + .* * *]" 1
1207 1 103 PRO QG 2 4 ILE MD . . 4.440 2.716 1.288 4.635 0.195 16 0 "[ . 1 . 2]" 1
1208 1 93 LEU QB 2 4 ILE MD . . 4.440 4.242 2.471 5.167 0.727 18 1 "[ . 1 . + 2]" 1
1209 1 47 PHE QE 2 12 LEU QD . . 4.440 2.370 1.112 3.848 . 0 0 "[ . 1 . 2]" 1
1210 1 58 ARG HB2 2 12 LEU QD . . 4.440 3.299 2.408 4.314 . 0 0 "[ . 1 . 2]" 1
1211 1 58 ARG HB3 2 12 LEU QD . . 4.440 4.140 3.303 5.124 0.684 13 1 "[ . 1 + . 2]" 1
1212 1 47 PHE QE 2 12 LEU HG . . 4.780 3.366 2.249 4.134 . 0 0 "[ . 1 . 2]" 1
1213 1 47 PHE QD 2 12 LEU HG . . 4.440 4.920 4.028 5.973 1.533 10 9 "[ .****+ * .- * *]" 1
1214 1 61 PHE QD 2 12 LEU HG . . 4.440 3.825 1.643 5.141 0.701 5 1 "[ + 1 . 2]" 1
1215 1 61 PHE HB2 2 12 LEU HG . . 5.060 4.460 3.437 5.886 0.826 19 1 "[ . 1 . +2]" 1
1216 1 57 ALA MB 2 12 LEU HG . . 5.900 4.099 3.014 4.996 . 0 0 "[ . 1 . 2]" 1
1217 1 47 PHE QD 2 12 LEU QD . . 4.440 3.167 1.787 5.059 0.619 10 1 "[ . + . 2]" 1
1218 2 6 GLU HA 2 7 ASP H . . 3.500 3.252 3.153 3.409 . 0 0 "[ . 1 . 2]" 1
1219 2 6 GLU H 2 8 ILE H . . 3.740 3.276 2.562 3.782 0.042 3 0 "[ . 1 . 2]" 1
1220 2 6 GLU HA 2 9 PHE H . . 4.170 4.139 3.705 4.556 0.386 19 0 "[ . 1 . 2]" 1
1221 2 7 ASP HA 2 9 PHE H . . 3.620 3.536 3.314 4.090 0.470 19 0 "[ . 1 . 2]" 1
1222 2 7 ASP H 2 9 PHE H . . 4.200 4.079 3.805 4.319 0.119 3 0 "[ . 1 . 2]" 1
1223 1 51 GLY H 1 52 ARG H . . 4.740 4.280 3.523 4.552 . 0 0 "[ . 1 . 2]" 1
1224 1 53 GLU HA 1 54 PRO HA . . 4.680 4.313 4.312 4.316 . 0 0 "[ . 1 . 2]" 1
1225 1 48 GLN HA 1 49 PRO HA . . 4.760 4.309 4.300 4.324 . 0 0 "[ . 1 . 2]" 1
1226 1 50 GLN HB2 1 53 GLU H . . 4.560 4.512 4.370 4.630 0.070 14 0 "[ . 1 . 2]" 1
1227 2 4 ILE H 2 6 GLU H . . 4.460 4.162 2.580 4.628 0.168 17 0 "[ . 1 . 2]" 1
1228 2 4 ILE HA 2 6 GLU H . . 3.770 3.282 3.018 3.889 0.119 19 0 "[ . 1 . 2]" 1
1229 2 4 ILE HA 2 7 ASP H . . 3.400 2.933 2.549 3.936 0.536 19 1 "[ . 1 . +2]" 1
1230 2 4 ILE HA 2 8 ILE H . . 4.200 3.712 2.897 4.708 0.508 19 1 "[ . 1 . +2]" 1
1231 2 5 GLY H 2 7 ASP H . . 4.200 3.911 3.666 4.137 . 0 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 80
_Distance_constraint_stats_list.Viol_count 663
_Distance_constraint_stats_list.Viol_total 991.680
_Distance_constraint_stats_list.Viol_max 0.519
_Distance_constraint_stats_list.Viol_rms 0.0782
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0310
_Distance_constraint_stats_list.Viol_average_violations_only 0.0748
_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 9 PHE 0.396 0.061 5 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 17.749 0.519 1 3 "[+ . 1 * . - 2]"
1 13 GLN 0.229 0.051 20 0 "[ . 1 . 2]"
1 14 ASP 2.807 0.122 19 0 "[ . 1 . 2]"
1 17 GLY 1.355 0.109 20 0 "[ . 1 . 2]"
1 18 LYS 1.452 0.122 19 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 17.749 0.519 1 3 "[+ . 1 * . - 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 1.259 0.096 6 0 "[ . 1 . 2]"
1 35 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.368 0.031 20 0 "[ . 1 . 2]"
1 37 ASP 0.903 0.055 8 0 "[ . 1 . 2]"
1 38 LEU 1.311 0.096 6 0 "[ . 1 . 2]"
1 39 VAL 0.506 0.058 5 0 "[ . 1 . 2]"
1 40 ARG 0.368 0.031 20 0 "[ . 1 . 2]"
1 41 LYS 2.335 0.098 20 0 "[ . 1 . 2]"
1 42 CYS 0.051 0.020 7 0 "[ . 1 . 2]"
1 43 ILE 1.663 0.084 20 0 "[ . 1 . 2]"
1 44 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 3.782 0.128 4 0 "[ . 1 . 2]"
1 46 PHE 1.337 0.148 5 0 "[ . 1 . 2]"
1 47 PHE 1.157 0.084 20 0 "[ . 1 . 2]"
1 48 GLN 2.349 0.128 4 0 "[ . 1 . 2]"
1 56 TYR 0.591 0.061 3 0 "[ . 1 . 2]"
1 57 ALA 2.666 0.148 5 0 "[ . 1 . 2]"
1 58 ARG 2.970 0.112 1 0 "[ . 1 . 2]"
1 60 LEU 0.591 0.061 3 0 "[ . 1 . 2]"
1 61 PHE 1.915 0.111 5 0 "[ . 1 . 2]"
1 62 GLN 9.785 0.329 8 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.585 0.079 4 0 "[ . 1 . 2]"
1 66 THR 6.815 0.329 8 0 "[ . 1 . 2]"
1 70 ALA 0.042 0.025 16 0 "[ . 1 . 2]"
1 75 TYR 2.470 0.164 18 0 "[ . 1 . 2]"
1 77 PHE 0.632 0.050 5 0 "[ . 1 . 2]"
1 85 LEU 0.632 0.050 5 0 "[ . 1 . 2]"
1 86 SER 0.911 0.087 9 0 "[ . 1 . 2]"
1 87 ALA 2.470 0.164 18 0 "[ . 1 . 2]"
1 88 HIS 1.365 0.082 20 0 "[ . 1 . 2]"
1 90 ARG 0.190 0.084 20 0 "[ . 1 . 2]"
1 91 CYS 0.042 0.025 16 0 "[ . 1 . 2]"
1 92 LYS 0.999 0.075 8 0 "[ . 1 . 2]"
1 94 CYS 0.138 0.107 16 0 "[ . 1 . 2]"
1 104 PHE 0.138 0.107 16 0 "[ . 1 . 2]"
1 105 ILE 0.229 0.051 20 0 "[ . 1 . 2]"
1 106 MET 0.999 0.075 8 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ILE 0.190 0.084 20 0 "[ . 1 . 2]"
1 109 HIS 0.396 0.061 5 0 "[ . 1 . 2]"
1 110 ILE 1.365 0.082 20 0 "[ . 1 . 2]"
1 112 ASP 0.911 0.087 9 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 9 PHE H 1 109 HIS O . . 2.000 2.016 1.970 2.061 0.061 5 0 "[ . 1 . 2]" 2
2 1 9 PHE N 1 109 HIS O . . 3.000 2.972 2.918 3.019 0.019 5 0 "[ . 1 . 2]" 2
3 1 10 MET H 1 23 ASP O . . 2.000 1.762 1.721 1.800 . 0 0 "[ . 1 . 2]" 2
4 1 10 MET N 1 23 ASP O . . 3.000 2.739 2.695 2.784 . 0 0 "[ . 1 . 2]" 2
5 1 11 THR H 1 107 GLY O . . 2.000 1.840 1.805 1.872 . 0 0 "[ . 1 . 2]" 2
6 1 11 THR N 1 107 GLY O . . 3.000 2.668 2.634 2.719 . 0 0 "[ . 1 . 2]" 2
7 1 12 LYS H 1 21 SER O . . 2.000 1.911 1.785 2.065 0.065 20 0 "[ . 1 . 2]" 2
8 1 12 LYS N 1 21 SER O . . 3.000 2.830 2.694 2.966 . 0 0 "[ . 1 . 2]" 2
9 1 13 GLN H 1 105 ILE O . . 2.000 1.970 1.872 2.051 0.051 20 0 "[ . 1 . 2]" 2
10 1 13 GLN N 1 105 ILE O . . 3.000 2.926 2.861 3.021 0.021 18 0 "[ . 1 . 2]" 2
11 1 14 ASP H 1 18 LYS O . . 2.000 2.066 1.922 2.122 0.122 19 0 "[ . 1 . 2]" 2
12 1 14 ASP N 1 18 LYS O . . 3.000 2.957 2.827 3.013 0.013 12 0 "[ . 1 . 2]" 2
13 1 14 ASP O 1 17 GLY H . . 2.000 2.043 1.920 2.109 0.109 20 0 "[ . 1 . 2]" 2
14 1 14 ASP O 1 17 GLY N . . 3.000 2.987 2.852 3.105 0.105 20 0 "[ . 1 . 2]" 2
15 1 12 LYS O 1 20 ILE H . . 2.000 1.730 1.688 1.764 . 0 0 "[ . 1 . 2]" 2
16 1 12 LYS O 1 20 ILE N . . 3.000 2.711 2.651 2.753 . 0 0 "[ . 1 . 2]" 2
17 1 12 LYS O 1 21 SER H . . 2.000 2.465 2.380 2.519 0.519 1 3 "[+ . 1 * . - 2]" 2
18 1 12 LYS O 1 21 SER N . . 3.000 3.419 3.349 3.449 0.449 18 0 "[ . 1 . 2]" 2
19 1 34 GLY O 1 38 LEU H . . 2.000 2.052 2.041 2.096 0.096 6 0 "[ . 1 . 2]" 2
20 1 34 GLY O 1 38 LEU N . . 3.000 3.011 2.994 3.054 0.054 6 0 "[ . 1 . 2]" 2
21 1 35 TRP O 1 39 VAL H . . 2.000 1.826 1.753 1.905 . 0 0 "[ . 1 . 2]" 2
22 1 35 TRP O 1 39 VAL N . . 3.000 2.757 2.716 2.845 . 0 0 "[ . 1 . 2]" 2
23 1 36 GLU O 1 40 ARG H . . 2.000 2.018 2.000 2.031 0.031 20 0 "[ . 1 . 2]" 2
24 1 36 GLU O 1 40 ARG N . . 3.000 2.981 2.946 3.012 0.012 12 0 "[ . 1 . 2]" 2
25 1 37 ASP O 1 41 LYS H . . 2.000 2.043 2.018 2.055 0.055 8 0 "[ . 1 . 2]" 2
26 1 37 ASP O 1 41 LYS N . . 3.000 2.997 2.951 3.013 0.013 3 0 "[ . 1 . 2]" 2
27 1 38 LEU O 1 42 CYS H . . 2.000 1.994 1.927 2.020 0.020 7 0 "[ . 1 . 2]" 2
28 1 38 LEU O 1 42 CYS N . . 3.000 2.966 2.879 2.999 . 0 0 "[ . 1 . 2]" 2
29 1 39 VAL O 1 43 ILE H . . 2.000 2.024 1.994 2.058 0.058 5 0 "[ . 1 . 2]" 2
30 1 39 VAL O 1 43 ILE N . . 3.000 2.976 2.925 3.009 0.009 5 0 "[ . 1 . 2]" 2
31 1 40 ARG O 1 44 TYR H . . 2.000 1.858 1.806 1.941 . 0 0 "[ . 1 . 2]" 2
32 1 40 ARG O 1 44 TYR N . . 3.000 2.764 2.719 2.835 . 0 0 "[ . 1 . 2]" 2
33 1 41 LYS O 1 45 ALA H . . 2.200 2.137 2.070 2.161 . 0 0 "[ . 1 . 2]" 2
34 1 41 LYS O 1 45 ALA N . . 3.000 3.072 3.016 3.098 0.098 20 0 "[ . 1 . 2]" 2
35 1 42 CYS O 1 46 PHE H . . 2.000 1.919 1.807 1.995 . 0 0 "[ . 1 . 2]" 2
36 1 42 CYS O 1 46 PHE N . . 3.000 2.850 2.714 2.934 . 0 0 "[ . 1 . 2]" 2
37 1 43 ILE O 1 47 PHE H . . 2.000 2.056 2.030 2.084 0.084 20 0 "[ . 1 . 2]" 2
38 1 43 ILE O 1 47 PHE N . . 3.000 2.974 2.896 3.013 0.013 2 0 "[ . 1 . 2]" 2
39 1 45 ALA O 1 48 GLN H . . 2.000 2.109 2.083 2.128 0.128 4 0 "[ . 1 . 2]" 2
40 1 45 ALA O 1 48 GLN N . . 3.000 3.001 2.960 3.038 0.038 5 0 "[ . 1 . 2]" 2
41 1 46 PHE O 1 57 ALA H . . 2.000 2.061 1.989 2.148 0.148 5 0 "[ . 1 . 2]" 2
42 1 46 PHE O 1 57 ALA N . . 3.000 2.958 2.886 3.064 0.064 5 0 "[ . 1 . 2]" 2
43 1 56 TYR O 1 60 LEU H . . 2.000 2.015 1.885 2.061 0.061 3 0 "[ . 1 . 2]" 2
44 1 56 TYR O 1 60 LEU N . . 3.000 2.985 2.867 3.024 0.024 3 0 "[ . 1 . 2]" 2
45 1 57 ALA O 1 61 PHE H . . 2.000 2.066 2.029 2.111 0.111 5 0 "[ . 1 . 2]" 2
46 1 57 ALA O 1 61 PHE N . . 3.000 2.935 2.808 3.012 0.012 5 0 "[ . 1 . 2]" 2
47 1 58 ARG O 1 62 GLN H . . 2.000 2.087 2.043 2.112 0.112 1 0 "[ . 1 . 2]" 2
48 1 58 ARG O 1 62 GLN N . . 3.000 3.062 3.035 3.102 0.102 1 0 "[ . 1 . 2]" 2
49 1 60 LEU O 1 64 VAL H . . 2.000 1.823 1.768 1.943 . 0 0 "[ . 1 . 2]" 2
50 1 60 LEU O 1 64 VAL N . . 3.000 2.726 2.675 2.817 . 0 0 "[ . 1 . 2]" 2
51 1 61 PHE O 1 65 MET H . . 2.000 2.028 1.973 2.079 0.079 4 0 "[ . 1 . 2]" 2
52 1 61 PHE O 1 65 MET N . . 3.000 2.754 2.692 2.802 . 0 0 "[ . 1 . 2]" 2
53 1 62 GLN O 1 66 THR H . . 2.000 2.287 2.225 2.329 0.329 8 0 "[ . 1 . 2]" 2
54 1 62 GLN O 1 66 THR N . . 3.000 3.052 2.972 3.105 0.105 16 0 "[ . 1 . 2]" 2
55 1 75 TYR H 1 87 ALA O . . 2.000 2.067 1.992 2.164 0.164 18 0 "[ . 1 . 2]" 2
56 1 75 TYR N 1 87 ALA O . . 3.000 3.001 2.884 3.072 0.072 5 0 "[ . 1 . 2]" 2
57 1 77 PHE H 1 85 LEU O . . 2.000 1.969 1.851 2.043 0.043 2 0 "[ . 1 . 2]" 2
58 1 77 PHE N 1 85 LEU O . . 3.000 2.878 2.764 2.925 . 0 0 "[ . 1 . 2]" 2
59 1 77 PHE O 1 85 LEU H . . 2.000 2.023 1.998 2.050 0.050 5 0 "[ . 1 . 2]" 2
60 1 77 PHE O 1 85 LEU N . . 3.000 2.979 2.949 3.011 0.011 5 0 "[ . 1 . 2]" 2
61 1 86 SER H 1 112 ASP O . . 2.000 2.044 1.987 2.087 0.087 9 0 "[ . 1 . 2]" 2
62 1 86 SER N 1 112 ASP O . . 3.000 2.939 2.855 3.005 0.005 12 0 "[ . 1 . 2]" 2
63 1 75 TYR O 1 87 ALA H . . 2.000 2.027 1.907 2.152 0.152 15 0 "[ . 1 . 2]" 2
64 1 75 TYR O 1 87 ALA N . . 3.000 2.912 2.811 3.012 0.012 15 0 "[ . 1 . 2]" 2
65 1 88 HIS H 1 110 ILE O . . 2.000 2.011 1.822 2.070 0.070 9 0 "[ . 1 . 2]" 2
66 1 88 HIS N 1 110 ILE O . . 3.000 2.953 2.741 3.018 0.018 9 0 "[ . 1 . 2]" 2
67 1 90 ARG H 1 108 ILE O . . 2.000 1.953 1.853 2.084 0.084 20 0 "[ . 1 . 2]" 2
68 1 90 ARG N 1 108 ILE O . . 3.000 2.847 2.769 2.970 . 0 0 "[ . 1 . 2]" 2
69 1 70 ALA O 1 91 CYS H . . 2.000 1.903 1.757 2.025 0.025 16 0 "[ . 1 . 2]" 2
70 1 70 ALA O 1 91 CYS N . . 3.000 2.777 2.680 2.870 . 0 0 "[ . 1 . 2]" 2
71 1 92 LYS H 1 106 MET O . . 2.000 2.027 1.909 2.075 0.075 8 0 "[ . 1 . 2]" 2
72 1 92 LYS N 1 106 MET O . . 3.000 2.817 2.697 2.897 . 0 0 "[ . 1 . 2]" 2
73 1 94 CYS O 1 104 PHE H . . 2.000 1.858 1.768 2.107 0.107 16 0 "[ . 1 . 2]" 2
74 1 94 CYS O 1 104 PHE N . . 3.000 2.786 2.708 3.022 0.022 16 0 "[ . 1 . 2]" 2
75 1 92 LYS O 1 106 MET H . . 2.000 1.983 1.760 2.038 0.038 2 0 "[ . 1 . 2]" 2
76 1 92 LYS O 1 106 MET N . . 3.000 2.970 2.758 3.025 0.025 2 0 "[ . 1 . 2]" 2
77 1 90 ARG O 1 108 ILE H . . 2.000 1.856 1.769 1.980 . 0 0 "[ . 1 . 2]" 2
78 1 90 ARG O 1 108 ILE N . . 3.000 2.738 2.673 2.856 . 0 0 "[ . 1 . 2]" 2
79 1 88 HIS O 1 110 ILE H . . 2.000 2.039 1.990 2.082 0.082 20 0 "[ . 1 . 2]" 2
80 1 88 HIS O 1 110 ILE N . . 3.000 2.930 2.877 3.002 0.002 5 0 "[ . 1 . 2]" 2
stop_
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