Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538005 | 2lrg RC | 18364 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrg
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 1492
_Distance_constraint_stats_list.Viol_count 3770
_Distance_constraint_stats_list.Viol_total 12448.984
_Distance_constraint_stats_list.Viol_max 1.741
_Distance_constraint_stats_list.Viol_rms 0.1060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.1651
_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 3 SER 0.205 0.059 9 0 "[ . 1 . 2]"
1 4 ASP 0.250 0.059 9 0 "[ . 1 . 2]"
1 5 PHE 9.550 0.600 3 8 "[* + - * * ** *2]"
1 6 GLN 7.909 0.361 1 0 "[ . 1 . 2]"
1 7 THR 5.287 0.126 8 0 "[ . 1 . 2]"
1 8 GLY 0.944 0.096 7 0 "[ . 1 . 2]"
1 9 ILE 3.941 0.106 11 0 "[ . 1 . 2]"
1 10 HIS 17.547 1.178 8 11 "[ ** . + 1***-.*** *]"
1 11 LYS 14.628 1.003 4 5 "[ -+. 1* . **]"
1 12 ILE 31.897 1.741 10 18 "[* **.****+*-********]"
1 13 VAL 5.928 0.474 2 0 "[ . 1 . 2]"
1 14 ILE 28.421 1.115 2 20 [*+*******-**********]
1 15 GLN 57.813 1.115 2 20 [*+******-***********]
1 16 GLN 24.057 1.109 2 14 "[*+ *.** *** -***** 2]"
1 17 SER 4.327 0.320 9 0 "[ . 1 . 2]"
1 18 GLY 0.683 0.079 9 0 "[ . 1 . 2]"
1 19 ASP 11.213 1.217 5 7 "[* **+ 1 * *- 2]"
1 20 THR 3.730 0.141 13 0 "[ . 1 . 2]"
1 21 ASP 3.992 1.129 16 3 "[* . - 1 .+ 2]"
1 22 SER 8.705 1.129 16 5 "[* .- * 1 *.+ 2]"
1 23 PHE 2.643 0.327 14 0 "[ . 1 . 2]"
1 24 GLU 2.645 0.398 9 0 "[ . 1 . 2]"
1 25 VAL 2.902 0.280 17 0 "[ . 1 . 2]"
1 26 SER 3.302 0.292 10 0 "[ . 1 . 2]"
1 27 VAL 7.834 0.707 6 2 "[ .+ 1 . -]"
1 28 SER 1.603 0.093 18 0 "[ . 1 . 2]"
1 29 ILE 5.532 0.097 10 0 "[ . 1 . 2]"
1 30 GLY 1.389 0.097 16 0 "[ . 1 . 2]"
1 31 GLY 1.256 0.079 7 0 "[ . 1 . 2]"
1 32 ALA 43.601 1.574 10 20 [*********+*****-****]
1 33 ASP 39.297 1.193 7 18 "[* ****+******** **-*]"
1 34 LYS 31.307 1.193 7 18 "[* ****+******** **-*]"
1 35 GLY 9.450 0.755 14 9 "[ -** *** +. * *]"
1 36 GLY 0.299 0.079 7 0 "[ . 1 . 2]"
1 37 PRO 1.774 0.144 19 0 "[ . 1 . 2]"
1 38 ALA 4.098 0.491 8 0 "[ . 1 . 2]"
1 39 LYS 23.496 1.646 4 16 "[** +* ***1*-*******2]"
1 40 LEU 4.182 0.088 13 0 "[ . 1 . 2]"
1 41 TYR 4.510 0.680 16 1 "[ . 1 .+ 2]"
1 42 ASN 5.096 0.683 2 2 "[ + . -1 . 2]"
1 43 ASP 24.933 1.452 20 18 "[** *-************* +]"
1 44 LYS 38.176 1.452 20 18 "[** *-************* +]"
1 45 GLY 1.672 0.087 7 0 "[ . 1 . 2]"
1 46 GLU 6.631 0.621 9 3 "[ *. +1 -. 2]"
1 47 TYR 8.872 0.698 4 4 "[ +. 1 - .* * 2]"
1 48 ILE 5.294 0.103 19 0 "[ . 1 . 2]"
1 49 GLY 0.465 0.082 11 0 "[ . 1 . 2]"
1 50 ASP 19.048 1.646 4 16 "[** +* ***1**-******2]"
1 51 SER 4.687 0.483 4 0 "[ . 1 . 2]"
1 52 TYR 14.285 0.483 4 0 "[ . 1 . 2]"
1 53 SER 2.656 0.087 2 0 "[ . 1 . 2]"
1 54 ALA 5.277 0.255 9 0 "[ . 1 . 2]"
1 55 GLN 11.098 0.398 9 0 "[ . 1 . 2]"
1 56 ILE 19.761 0.707 6 3 "[ .+ 1 . -*]"
1 57 ARG 1.049 0.117 19 0 "[ . 1 . 2]"
1 58 THR 2.961 0.286 19 0 "[ . 1 . 2]"
1 59 ALA 1.063 0.107 8 0 "[ . 1 . 2]"
1 60 THR 5.019 0.122 8 0 "[ . 1 . 2]"
1 61 MET 11.525 0.632 19 1 "[ . 1 . +2]"
1 62 SER 5.716 0.469 9 0 "[ . 1 . 2]"
1 63 CYS 1.650 0.097 10 0 "[ . 1 . 2]"
1 64 CYS 3.372 0.102 20 0 "[ . 1 . 2]"
1 65 THR 5.977 0.659 8 1 "[ . + 1 . 2]"
1 66 ASN 3.763 0.659 8 1 "[ . + 1 . 2]"
1 67 GLY 1.062 0.089 16 0 "[ . 1 . 2]"
1 69 ALA 4.347 0.121 8 0 "[ . 1 . 2]"
1 70 PHE 60.146 1.574 10 20 [****-****+**********]
1 71 PHE 23.365 1.254 7 13 "[ *****+**1 - *** *2]"
1 72 MET 3.662 0.118 14 0 "[ . 1 . 2]"
1 73 THR 4.890 1.440 11 2 "[ . 1+ - . 2]"
1 74 CYS 24.463 1.741 10 18 "[- **.****+**********]"
1 75 ALA 0.540 0.093 18 0 "[ . 1 . 2]"
1 76 GLY 4.555 0.107 18 0 "[ . 1 . 2]"
1 77 SER 4.106 0.589 5 1 "[ + 1 . 2]"
1 78 VAL 6.657 0.398 11 0 "[ . 1 . 2]"
1 79 SER 4.194 0.190 2 0 "[ . 1 . 2]"
1 80 SER 2.185 0.190 2 0 "[ . 1 . 2]"
1 81 ILE 4.472 0.320 14 0 "[ . 1 . 2]"
1 82 SER 4.442 0.320 14 0 "[ . 1 . 2]"
1 83 GLU 4.017 0.273 1 0 "[ . 1 . 2]"
1 84 ALA 4.728 0.273 1 0 "[ . 1 . 2]"
1 85 GLY 0.658 0.108 4 0 "[ . 1 . 2]"
1 86 LYS 26.558 1.597 14 18 "[******-***** +*****2]"
1 87 ARG 25.453 1.597 14 18 "[************ +-****2]"
1 88 LEU 29.474 1.395 15 19 "[*** ********-*+*****]"
1 89 HIS 4.833 0.103 19 0 "[ . 1 . 2]"
1 90 ILE 4.137 0.120 20 0 "[ . 1 . 2]"
1 91 THR 17.438 0.597 10 13 "[****.** -+** *. **2]"
1 92 VAL 3.120 0.326 15 0 "[ . 1 . 2]"
1 93 ILE 3.943 0.121 18 0 "[ . 1 . 2]"
1 94 GLY 6.144 0.587 3 3 "[ + . 1 -* . 2]"
1 95 TYR 14.496 1.003 4 5 "[ -+. 1* . **]"
1 96 ILE 18.198 1.178 8 11 "[ ** . + 1***-.*** *]"
1 97 ASP 1.099 0.093 3 0 "[ . 1 . 2]"
1 98 ASP 0.406 0.086 14 0 "[ . 1 . 2]"
1 99 LYS 4.913 0.220 11 0 "[ . 1 . 2]"
1 100 GLU 5.555 0.294 17 0 "[ . 1 . 2]"
1 101 VAL 1.415 0.294 17 0 "[ . 1 . 2]"
1 102 ASN 7.921 0.493 7 0 "[ . 1 . 2]"
1 103 ARG 2.653 0.093 4 0 "[ . 1 . 2]"
1 104 LEU 5.122 0.124 15 0 "[ . 1 . 2]"
1 105 GLU 7.576 0.456 4 0 "[ . 1 . 2]"
1 106 LYS 2.653 0.124 15 0 "[ . 1 . 2]"
1 107 GLU 8.411 1.377 14 3 "[ - . 1 +. * 2]"
1 108 TYR 36.874 1.395 15 19 "[*** ******-***+*****]"
1 109 ILE 4.608 0.108 4 0 "[ . 1 . 2]"
1 110 THR 6.555 0.289 20 0 "[ . 1 . 2]"
1 111 ASP 1.130 0.289 20 0 "[ . 1 . 2]"
1 112 GLY 0.697 0.082 19 0 "[ . 1 . 2]"
1 113 ASN 12.451 0.428 18 0 "[ . 1 . 2]"
1 114 THR 2.799 0.175 16 0 "[ . 1 . 2]"
1 115 LEU 2.403 0.106 14 0 "[ . 1 . 2]"
1 116 ILE 6.413 0.259 15 0 "[ . 1 . 2]"
1 117 GLU 5.584 0.397 15 0 "[ . 1 . 2]"
1 118 THR 3.099 0.397 15 0 "[ . 1 . 2]"
1 119 PHE 9.467 0.589 5 1 "[ + 1 . 2]"
1 120 SER 1.086 0.110 10 0 "[ . 1 . 2]"
1 121 VAL 1.537 0.173 3 0 "[ . 1 . 2]"
1 122 SER 5.182 1.440 11 2 "[ . 1+ - . 2]"
1 123 THR 12.282 1.254 7 9 "[ * **+ *1 - * * *2]"
1 124 LYS 13.623 0.740 4 5 "[ - +. ** 1 .* 2]"
1 125 GLU 10.663 0.774 20 9 "[ * *. * -*. ***+]"
1 126 ILE 1.569 0.088 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 4 ASP H . . 4.300 3.727 2.076 4.359 0.059 9 0 "[ . 1 . 2]" 1
2 1 3 SER HA 1 4 ASP H . . 3.440 2.607 2.203 3.485 0.045 7 0 "[ . 1 . 2]" 1
3 1 4 ASP HA 1 5 PHE H . . 3.020 2.306 2.103 3.066 0.046 8 0 "[ . 1 . 2]" 1
4 1 5 PHE H 1 5 PHE HB3 . . 3.290 3.547 2.709 3.890 0.600 3 8 "[* + - * * ** *2]" 1
5 1 5 PHE H 1 5 PHE QD . . 4.060 3.379 2.348 4.163 0.103 11 0 "[ . 1 . 2]" 1
6 1 5 PHE H 1 6 GLN H . . 3.860 3.622 2.133 3.944 0.084 19 0 "[ . 1 . 2]" 1
7 1 5 PHE HA 1 5 PHE QD . . 3.460 2.786 2.103 3.577 0.117 20 0 "[ . 1 . 2]" 1
8 1 5 PHE HA 1 6 GLN H . . 2.840 2.304 2.092 2.919 0.079 12 0 "[ . 1 . 2]" 1
9 1 5 PHE HA 1 7 THR H . . 5.500 5.359 4.897 5.581 0.081 1 0 "[ . 1 . 2]" 1
10 1 5 PHE HB3 1 6 GLN H . . 4.430 4.031 3.750 4.469 0.039 18 0 "[ . 1 . 2]" 1
11 1 5 PHE QD 1 6 GLN H . . 4.580 4.546 4.158 4.685 0.105 12 0 "[ . 1 . 2]" 1
12 1 6 GLN H 1 6 GLN HB3 . . 3.260 3.496 3.091 3.621 0.361 1 0 "[ . 1 . 2]" 1
13 1 6 GLN H 1 6 GLN HG3 . . 4.180 3.409 2.154 4.319 0.139 20 0 "[ . 1 . 2]" 1
14 1 6 GLN H 1 7 THR H . . 4.010 4.015 3.724 4.093 0.083 20 0 "[ . 1 . 2]" 1
15 1 6 GLN HA 1 6 GLN HE21 . . 5.500 4.232 2.646 5.361 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLN HA 1 6 GLN HG3 . . 3.950 3.442 2.900 3.803 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLN HA 1 7 THR H . . 2.700 2.112 1.996 2.235 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLN HB3 1 7 THR H . . 4.710 3.803 3.055 4.337 . 0 0 "[ . 1 . 2]" 1
19 1 7 THR H 1 7 THR HB . . 3.790 3.673 3.407 3.863 0.073 5 0 "[ . 1 . 2]" 1
20 1 7 THR H 1 7 THR MG . . 3.420 3.072 2.385 3.499 0.079 20 0 "[ . 1 . 2]" 1
21 1 7 THR H 1 8 GLY H . . 4.770 4.383 4.191 4.657 . 0 0 "[ . 1 . 2]" 1
22 1 7 THR HA 1 7 THR MG . . 3.090 2.586 2.155 3.205 0.115 13 0 "[ . 1 . 2]" 1
23 1 7 THR HA 1 9 ILE H . . 5.210 5.225 4.886 5.296 0.086 11 0 "[ . 1 . 2]" 1
24 1 7 THR HB 1 8 GLY H . . 3.550 2.697 1.925 3.625 0.075 3 0 "[ . 1 . 2]" 1
25 1 7 THR MG 1 8 GLY H . . 4.180 3.334 2.663 3.904 . 0 0 "[ . 1 . 2]" 1
26 1 7 THR MG 1 69 ALA H . . 5.160 4.778 3.480 5.281 0.121 8 0 "[ . 1 . 2]" 1
27 1 7 THR MG 1 70 PHE H . . 5.220 4.798 4.262 5.103 . 0 0 "[ . 1 . 2]" 1
28 1 7 THR MG 1 70 PHE HA . . 4.760 2.478 2.024 3.181 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR MG 1 70 PHE HB3 . . 4.990 3.865 3.105 4.452 . 0 0 "[ . 1 . 2]" 1
30 1 7 THR MG 1 70 PHE QD . . 3.230 2.284 1.934 2.823 . 0 0 "[ . 1 . 2]" 1
31 1 7 THR MG 1 70 PHE QE . . 3.470 2.986 2.340 3.596 0.126 8 0 "[ . 1 . 2]" 1
32 1 8 GLY H 1 9 ILE H . . 4.990 3.612 2.868 4.113 . 0 0 "[ . 1 . 2]" 1
33 1 8 GLY H 1 10 HIS HD2 . . 4.410 3.675 2.801 4.456 0.046 16 0 "[ . 1 . 2]" 1
34 1 8 GLY H 1 69 ALA H . . 5.500 4.845 3.862 5.553 0.053 13 0 "[ . 1 . 2]" 1
35 1 8 GLY HA3 1 9 ILE H . . 3.250 2.233 2.098 2.374 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLY HA3 1 96 ILE MG . . 4.420 4.278 3.654 4.516 0.096 7 0 "[ . 1 . 2]" 1
37 1 9 ILE H 1 9 ILE HB . . 3.290 2.682 2.313 3.075 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE H 1 9 ILE MD . . 3.950 3.092 2.094 4.056 0.106 11 0 "[ . 1 . 2]" 1
39 1 9 ILE H 1 9 ILE HG13 . . 4.510 3.344 2.386 3.893 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE H 1 96 ILE MG . . 4.370 3.980 3.206 4.422 0.052 2 0 "[ . 1 . 2]" 1
41 1 9 ILE H 1 97 ASP H . . 4.020 3.159 2.633 4.072 0.052 14 0 "[ . 1 . 2]" 1
42 1 9 ILE H 1 97 ASP HA . . 4.290 3.030 1.989 4.358 0.068 14 0 "[ . 1 . 2]" 1
43 1 9 ILE HA 1 9 ILE MD . . 4.100 3.679 3.073 3.961 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HA 1 9 ILE MG . . 3.380 2.403 2.190 2.735 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 10 HIS H . . 3.020 2.238 2.104 2.475 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE HA 1 10 HIS HD2 . . 3.690 3.560 3.037 3.762 0.072 19 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 65 THR H . . 4.990 4.520 3.794 5.025 0.035 13 0 "[ . 1 . 2]" 1
48 1 9 ILE HB 1 9 ILE MD . . 3.280 2.304 2.205 2.391 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE HB 1 97 ASP H . . 4.100 3.896 3.177 4.170 0.070 19 0 "[ . 1 . 2]" 1
50 1 9 ILE HB 1 97 ASP HA . . 3.890 3.278 2.294 3.957 0.067 16 0 "[ . 1 . 2]" 1
51 1 9 ILE MD 1 67 GLY HA3 . . 4.740 3.994 3.270 4.506 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE MD 1 97 ASP HA . . 4.830 3.917 2.609 4.884 0.054 15 0 "[ . 1 . 2]" 1
53 1 9 ILE HG13 1 67 GLY HA2 . . 4.440 2.784 2.172 3.920 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HG13 1 67 GLY HA3 . . 4.920 3.472 2.685 4.088 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE MG 1 10 HIS H . . 3.510 2.855 2.102 3.607 0.097 20 0 "[ . 1 . 2]" 1
56 1 9 ILE MG 1 10 HIS HA . . 4.710 4.076 3.668 4.572 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE MG 1 10 HIS HD2 . . 5.400 4.928 4.597 5.466 0.066 20 0 "[ . 1 . 2]" 1
58 1 9 ILE MG 1 64 CYS HA . . 4.560 4.332 3.803 4.639 0.079 12 0 "[ . 1 . 2]" 1
59 1 9 ILE MG 1 64 CYS HB3 . . 4.010 3.962 3.682 4.109 0.099 7 0 "[ . 1 . 2]" 1
60 1 9 ILE MG 1 65 THR H . . 3.880 2.761 2.273 3.593 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE MG 1 97 ASP H . . 5.060 4.454 3.919 5.045 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MG 1 97 ASP HA . . 5.010 4.519 3.499 5.103 0.093 3 0 "[ . 1 . 2]" 1
63 1 10 HIS H 1 10 HIS HB3 . . 4.180 3.651 3.492 3.818 . 0 0 "[ . 1 . 2]" 1
64 1 10 HIS H 1 10 HIS HD2 . . 3.250 2.685 2.161 3.296 0.046 13 0 "[ . 1 . 2]" 1
65 1 10 HIS H 1 65 THR HB . . 5.200 4.390 3.797 5.266 0.066 16 0 "[ . 1 . 2]" 1
66 1 10 HIS H 1 65 THR MG . . 4.000 3.147 2.111 4.086 0.086 17 0 "[ . 1 . 2]" 1
67 1 10 HIS H 1 69 ALA MB . . 5.050 3.818 3.136 4.593 . 0 0 "[ . 1 . 2]" 1
68 1 10 HIS HA 1 10 HIS HD2 . . 4.160 3.821 3.545 4.131 . 0 0 "[ . 1 . 2]" 1
69 1 10 HIS HA 1 11 LYS H . . 2.850 2.302 2.164 2.409 . 0 0 "[ . 1 . 2]" 1
70 1 10 HIS HA 1 96 ILE HA . . 3.540 2.437 2.108 2.794 . 0 0 "[ . 1 . 2]" 1
71 1 10 HIS HA 1 96 ILE HG13 . . 4.710 4.586 4.105 5.022 0.312 18 0 "[ . 1 . 2]" 1
72 1 10 HIS HA 1 96 ILE MG . . 4.520 3.802 3.214 4.564 0.044 7 0 "[ . 1 . 2]" 1
73 1 10 HIS HA 1 97 ASP H . . 4.480 3.345 2.347 4.179 . 0 0 "[ . 1 . 2]" 1
74 1 10 HIS HA 1 123 THR MG . . 4.730 4.398 3.896 4.794 0.064 7 0 "[ . 1 . 2]" 1
75 1 10 HIS HB3 1 11 LYS H . . 3.610 2.856 2.604 3.337 . 0 0 "[ . 1 . 2]" 1
76 1 10 HIS HB3 1 65 THR MG . . 4.260 3.722 3.247 4.340 0.080 12 0 "[ . 1 . 2]" 1
77 1 10 HIS HB3 1 69 ALA MB . . 5.500 4.913 4.126 5.571 0.071 2 0 "[ . 1 . 2]" 1
78 1 10 HIS HD2 1 65 THR MG . . 5.370 4.088 3.039 5.236 . 0 0 "[ . 1 . 2]" 1
79 1 10 HIS HD2 1 69 ALA MB . . 3.050 2.601 2.120 3.136 0.086 9 0 "[ . 1 . 2]" 1
80 1 10 HIS HD2 1 71 PHE HA . . 4.940 4.765 4.128 5.009 0.069 13 0 "[ . 1 . 2]" 1
81 1 10 HIS HD2 1 96 ILE MD . . 5.500 5.282 4.719 5.580 0.080 20 0 "[ . 1 . 2]" 1
82 1 10 HIS HD2 1 96 ILE MG . . 4.620 4.147 3.293 4.733 0.113 7 0 "[ . 1 . 2]" 1
83 1 10 HIS HE1 1 71 PHE HA . . 3.370 2.594 2.213 2.991 . 0 0 "[ . 1 . 2]" 1
84 1 10 HIS HE1 1 71 PHE HB3 . . 4.650 4.537 4.140 4.993 0.343 19 0 "[ . 1 . 2]" 1
85 1 10 HIS HE1 1 72 MET H . . 5.500 4.389 3.802 4.927 . 0 0 "[ . 1 . 2]" 1
86 1 10 HIS HE1 1 96 ILE MD . . 3.090 2.418 2.116 2.651 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS HE1 1 96 ILE HG13 . . 3.940 4.541 3.981 5.118 1.178 8 11 "[ ** . + 1***-.*** *]" 1
88 1 10 HIS HE1 1 96 ILE MG . . 4.420 3.445 2.729 4.170 . 0 0 "[ . 1 . 2]" 1
89 1 11 LYS H 1 11 LYS HB3 . . 3.750 3.403 2.774 3.997 0.247 13 0 "[ . 1 . 2]" 1
90 1 11 LYS H 1 12 ILE H . . 4.920 4.360 4.289 4.473 . 0 0 "[ . 1 . 2]" 1
91 1 11 LYS H 1 64 CYS HA . . 5.480 4.763 4.647 5.071 . 0 0 "[ . 1 . 2]" 1
92 1 11 LYS H 1 72 MET ME . . 5.230 5.156 4.886 5.324 0.094 16 0 "[ . 1 . 2]" 1
93 1 11 LYS H 1 95 TYR H . . 3.690 2.973 2.743 3.452 . 0 0 "[ . 1 . 2]" 1
94 1 11 LYS H 1 95 TYR HB3 . . 5.430 4.158 3.514 4.733 . 0 0 "[ . 1 . 2]" 1
95 1 11 LYS H 1 95 TYR QR . . 5.030 4.596 4.007 5.068 0.038 5 0 "[ . 1 . 2]" 1
96 1 11 LYS H 1 96 ILE HA . . 4.300 3.765 3.172 4.160 . 0 0 "[ . 1 . 2]" 1
97 1 11 LYS H 1 96 ILE HG13 . . 5.500 5.051 4.535 5.662 0.162 4 0 "[ . 1 . 2]" 1
98 1 11 LYS H 1 123 THR MG . . 4.370 3.655 2.902 4.293 . 0 0 "[ . 1 . 2]" 1
99 1 11 LYS HA 1 12 ILE H . . 2.880 2.343 2.252 2.473 . 0 0 "[ . 1 . 2]" 1
100 1 11 LYS HA 1 63 CYS H . . 5.170 4.517 4.352 4.765 . 0 0 "[ . 1 . 2]" 1
101 1 11 LYS HA 1 64 CYS HA . . 3.170 2.178 2.002 2.474 . 0 0 "[ . 1 . 2]" 1
102 1 11 LYS HA 1 64 CYS HB3 . . 4.170 2.979 2.238 3.691 . 0 0 "[ . 1 . 2]" 1
103 1 11 LYS HA 1 65 THR H . . 4.220 4.049 3.658 4.296 0.076 11 0 "[ . 1 . 2]" 1
104 1 11 LYS HA 1 72 MET ME . . 3.420 3.296 3.015 3.495 0.075 19 0 "[ . 1 . 2]" 1
105 1 11 LYS HB3 1 64 CYS HB3 . . 4.160 3.290 2.134 4.232 0.072 9 0 "[ . 1 . 2]" 1
106 1 11 LYS HB3 1 95 TYR H . . 4.870 4.676 3.466 5.790 0.920 20 4 "[ * . 1* . -+]" 1
107 1 11 LYS HB3 1 95 TYR HB3 . . 4.900 4.471 3.476 5.903 1.003 4 3 "[ -+. 1 . *]" 1
108 1 11 LYS HB3 1 95 TYR QR . . 4.600 4.150 3.156 4.996 0.396 19 0 "[ . 1 . 2]" 1
109 1 12 ILE H 1 12 ILE HB . . 3.360 2.691 2.482 2.929 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE H 1 12 ILE MD . . 4.880 4.322 3.973 4.554 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE H 1 12 ILE HG13 . . 4.640 4.344 4.139 4.445 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE H 1 12 ILE MG . . 4.200 3.479 2.389 3.979 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE H 1 13 VAL H . . 4.710 4.307 4.132 4.436 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE H 1 13 VAL QG . . 4.230 3.881 3.428 4.220 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE H 1 64 CYS HA . . 3.980 3.617 3.457 3.792 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE H 1 64 CYS HB3 . . 4.980 4.175 3.742 4.530 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE H 1 72 MET ME . . 3.280 3.280 3.024 3.374 0.094 3 0 "[ . 1 . 2]" 1
118 1 12 ILE HA 1 12 ILE MD . . 3.310 2.570 2.219 3.385 0.075 19 0 "[ . 1 . 2]" 1
119 1 12 ILE HA 1 12 ILE HG13 . . 3.810 3.432 2.093 3.979 0.169 13 0 "[ . 1 . 2]" 1
120 1 12 ILE HA 1 12 ILE MG . . 3.420 2.735 2.331 3.295 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE HA 1 13 VAL H . . 2.880 2.258 1.961 2.381 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE HA 1 13 VAL HB . . 4.800 4.565 4.229 4.907 0.107 11 0 "[ . 1 . 2]" 1
123 1 12 ILE HA 1 13 VAL QG . . 4.890 3.411 2.524 3.866 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE HA 1 93 ILE H . . 4.880 4.812 4.523 4.946 0.066 16 0 "[ . 1 . 2]" 1
125 1 12 ILE HA 1 94 GLY HA3 . . 4.400 3.822 3.479 4.194 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE HA 1 95 TYR H . . 4.290 3.420 2.787 3.646 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE HA 1 95 TYR QR . . 4.670 3.350 2.809 3.881 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE HB 1 13 VAL H . . 4.460 4.105 3.789 4.321 . 0 0 "[ . 1 . 2]" 1
129 1 12 ILE HB 1 63 CYS H . . 4.280 3.802 3.261 4.370 0.090 15 0 "[ . 1 . 2]" 1
130 1 12 ILE HB 1 74 CYS HB3 . . 4.550 5.509 4.557 6.291 1.741 10 18 "[* **.*-**+**********]" 1
131 1 12 ILE MD 1 74 CYS H . . 4.390 4.044 3.275 4.459 0.069 7 0 "[ . 1 . 2]" 1
132 1 12 ILE MD 1 74 CYS HB3 . . 3.750 3.271 2.295 3.565 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE MD 1 94 GLY HA2 . . 4.230 2.380 2.027 3.197 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE MD 1 94 GLY HA3 . . 4.020 2.509 2.098 3.407 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE MD 1 95 TYR H . . 4.730 3.558 3.001 4.319 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE MD 1 122 SER HA . . 4.230 3.991 3.489 4.320 0.090 17 0 "[ . 1 . 2]" 1
137 1 12 ILE MD 1 123 THR H . . 4.880 4.191 3.484 4.953 0.073 18 0 "[ . 1 . 2]" 1
138 1 12 ILE MD 1 123 THR MG . . 3.310 2.353 1.946 2.856 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE HG13 1 13 VAL H . . 5.100 4.550 2.092 5.574 0.474 2 0 "[ . 1 . 2]" 1
140 1 12 ILE HG13 1 94 GLY HA3 . . 5.160 4.972 3.391 5.747 0.587 3 3 "[ + . 1 -* . 2]" 1
141 1 12 ILE MG 1 13 VAL H . . 3.410 2.665 2.198 3.451 0.041 1 0 "[ . 1 . 2]" 1
142 1 12 ILE MG 1 62 SER HA . . 4.980 3.790 3.010 4.726 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE MG 1 74 CYS HB3 . . 3.580 3.369 2.495 4.169 0.589 15 5 "[- *. 1 + * *2]" 1
144 1 13 VAL H 1 13 VAL HB . . 3.420 2.742 2.386 3.385 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL H 1 13 VAL QG . . 3.600 2.736 1.911 3.037 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL H 1 14 ILE HA . . 5.130 4.693 4.520 4.869 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL H 1 93 ILE H . . 3.920 3.127 2.897 3.515 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL H 1 93 ILE HB . . 4.280 3.656 3.135 4.224 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL H 1 94 GLY HA2 . . 5.170 3.559 3.346 3.708 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL H 1 94 GLY HA3 . . 5.020 4.963 4.684 5.091 0.071 3 0 "[ . 1 . 2]" 1
151 1 13 VAL H 1 95 TYR H . . 5.500 5.204 4.657 5.498 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL H 1 95 TYR QR . . 3.810 3.628 2.675 3.930 0.120 11 0 "[ . 1 . 2]" 1
153 1 13 VAL HA 1 13 VAL QG . . 3.300 2.206 2.167 2.298 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL HA 1 14 ILE H . . 2.770 2.295 2.254 2.343 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HA 1 14 ILE HB . . 4.800 4.609 4.455 4.802 0.002 18 0 "[ . 1 . 2]" 1
156 1 13 VAL HA 1 62 SER H . . 4.420 4.490 4.443 4.509 0.089 2 0 "[ . 1 . 2]" 1
157 1 13 VAL HA 1 62 SER HA . . 3.210 2.150 2.014 2.287 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL HA 1 63 CYS H . . 4.600 3.860 3.550 4.083 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL HB 1 14 ILE HA . . 5.500 4.758 4.465 4.954 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL HB 1 93 ILE H . . 4.210 3.748 3.319 4.267 0.057 13 0 "[ . 1 . 2]" 1
161 1 13 VAL HB 1 93 ILE HB . . 3.600 2.662 2.113 3.674 0.074 11 0 "[ . 1 . 2]" 1
162 1 13 VAL HB 1 93 ILE MG . . 5.070 3.889 3.329 4.689 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL HB 1 95 TYR QR . . 3.550 2.917 2.235 3.657 0.107 13 0 "[ . 1 . 2]" 1
164 1 13 VAL QG 1 62 SER HA . . 4.100 3.209 2.880 3.379 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL QG 1 62 SER HB3 . . 3.340 2.264 1.982 2.680 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL QG 1 63 CYS H . . 4.320 3.992 3.701 4.214 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL QG 1 93 ILE H . . 5.500 3.923 2.340 4.397 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL QG 1 95 TYR QR . . 3.080 2.234 1.758 2.792 . 0 0 "[ . 1 . 2]" 1
169 1 14 ILE H 1 14 ILE HB . . 3.320 2.726 2.593 2.897 . 0 0 "[ . 1 . 2]" 1
170 1 14 ILE H 1 14 ILE MD . . 4.210 3.830 2.780 4.279 0.069 1 0 "[ . 1 . 2]" 1
171 1 14 ILE H 1 14 ILE HG13 . . 4.790 3.127 2.784 3.748 . 0 0 "[ . 1 . 2]" 1
172 1 14 ILE H 1 14 ILE MG . . 4.220 3.900 3.816 3.995 . 0 0 "[ . 1 . 2]" 1
173 1 14 ILE H 1 61 MET H . . 3.780 2.822 2.587 3.091 . 0 0 "[ . 1 . 2]" 1
174 1 14 ILE H 1 61 MET HB3 . . 5.040 3.125 2.587 3.473 . 0 0 "[ . 1 . 2]" 1
175 1 14 ILE H 1 61 MET ME . . 4.710 4.507 3.844 4.826 0.116 19 0 "[ . 1 . 2]" 1
176 1 14 ILE H 1 61 MET HG3 . . 5.500 5.444 3.973 5.674 0.174 4 0 "[ . 1 . 2]" 1
177 1 14 ILE H 1 62 SER HA . . 3.850 3.323 3.120 3.572 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE H 1 62 SER HB3 . . 5.500 4.158 3.758 4.943 . 0 0 "[ . 1 . 2]" 1
179 1 14 ILE HA 1 14 ILE MD . . 4.120 3.899 3.653 4.018 . 0 0 "[ . 1 . 2]" 1
180 1 14 ILE HA 1 14 ILE HG13 . . 3.730 2.936 2.421 3.277 . 0 0 "[ . 1 . 2]" 1
181 1 14 ILE HA 1 14 ILE MG . . 3.190 2.399 2.283 2.646 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE HA 1 15 GLN H . . 2.750 2.297 2.161 2.404 . 0 0 "[ . 1 . 2]" 1
183 1 14 ILE HA 1 15 GLN HB3 . . 4.660 5.702 5.573 5.775 1.115 2 20 [*+*******-**********] 1
184 1 14 ILE HA 1 15 GLN HG3 . . 5.410 3.902 3.337 4.725 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE HB 1 14 ILE MD . . 3.590 2.301 2.183 2.433 . 0 0 "[ . 1 . 2]" 1
186 1 14 ILE HB 1 15 GLN H . . 4.220 3.985 3.830 4.132 . 0 0 "[ . 1 . 2]" 1
187 1 14 ILE HB 1 15 GLN HA . . 4.630 4.622 4.388 4.695 0.065 9 0 "[ . 1 . 2]" 1
188 1 14 ILE HB 1 61 MET H . . 4.090 3.711 3.256 3.955 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE HB 1 61 MET HB3 . . 4.840 2.473 2.029 2.983 . 0 0 "[ . 1 . 2]" 1
190 1 14 ILE MD 1 61 MET HB3 . . 4.650 3.015 2.459 3.616 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE MD 1 92 VAL QG . . 4.020 3.218 2.696 3.578 . 0 0 "[ . 1 . 2]" 1
192 1 14 ILE MD 1 119 PHE QE . . 4.490 3.847 2.908 4.429 . 0 0 "[ . 1 . 2]" 1
193 1 14 ILE MD 1 119 PHE HZ . . 4.580 4.502 3.861 4.677 0.097 7 0 "[ . 1 . 2]" 1
194 1 14 ILE HG13 1 15 GLN H . . 4.840 4.957 4.383 5.297 0.457 17 0 "[ . 1 . 2]" 1
195 1 14 ILE HG13 1 92 VAL QG . . 4.360 3.342 2.199 4.113 . 0 0 "[ . 1 . 2]" 1
196 1 14 ILE MG 1 15 GLN H . . 3.390 2.357 2.172 2.656 . 0 0 "[ . 1 . 2]" 1
197 1 14 ILE MG 1 15 GLN HA . . 4.860 3.514 2.997 3.851 . 0 0 "[ . 1 . 2]" 1
198 1 14 ILE MG 1 61 MET H . . 4.480 4.363 3.891 4.568 0.088 19 0 "[ . 1 . 2]" 1
199 1 14 ILE MG 1 91 THR H . . 5.480 3.758 3.506 4.255 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLN H 1 15 GLN HB3 . . 3.690 3.881 3.759 3.956 0.266 6 0 "[ . 1 . 2]" 1
201 1 15 GLN H 1 15 GLN HG3 . . 4.180 3.281 2.862 3.808 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLN H 1 56 ILE MG . . 4.740 4.593 3.891 4.830 0.090 13 0 "[ . 1 . 2]" 1
203 1 15 GLN H 1 90 ILE HA . . 4.910 4.474 4.223 4.764 . 0 0 "[ . 1 . 2]" 1
204 1 15 GLN H 1 90 ILE MD . . 5.500 4.549 4.038 5.561 0.061 15 0 "[ . 1 . 2]" 1
205 1 15 GLN H 1 91 THR H . . 3.700 2.838 2.577 3.275 . 0 0 "[ . 1 . 2]" 1
206 1 15 GLN H 1 91 THR HB . . 4.000 3.233 2.699 3.663 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLN HA 1 15 GLN QE . . 5.500 4.996 4.081 5.166 . 0 0 "[ . 1 . 2]" 1
208 1 15 GLN HA 1 15 GLN HG3 . . 3.870 3.108 2.433 3.406 . 0 0 "[ . 1 . 2]" 1
209 1 15 GLN HA 1 16 GLN H . . 2.760 2.410 2.288 2.553 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLN HA 1 16 GLN HG3 . . 4.650 5.259 4.686 5.759 1.109 2 13 "[*+ *.** *-* ***** 2]" 1
211 1 15 GLN HA 1 56 ILE MD . . 5.090 5.172 5.034 5.201 0.111 19 0 "[ . 1 . 2]" 1
212 1 15 GLN HA 1 56 ILE MG . . 5.080 3.932 3.641 4.318 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLN HA 1 60 THR HB . . 4.940 4.182 2.702 5.009 0.069 19 0 "[ . 1 . 2]" 1
214 1 15 GLN HA 1 60 THR MG . . 4.440 3.493 2.882 4.562 0.122 8 0 "[ . 1 . 2]" 1
215 1 15 GLN HA 1 61 MET H . . 4.350 3.436 3.093 3.758 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLN HB3 1 16 GLN H . . 4.830 2.467 2.229 2.839 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLN HB3 1 91 THR H . . 4.470 4.624 4.251 5.067 0.597 10 1 "[ . + . 2]" 1
218 1 15 GLN HB3 1 91 THR HB . . 3.240 3.736 3.663 3.756 0.516 11 12 "[****.** -1+* *. **2]" 1
219 1 15 GLN HB3 1 91 THR MG . . 5.330 4.777 4.297 4.965 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLN QE 1 60 THR HB . . 5.500 4.628 3.754 5.337 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLN QE 1 60 THR MG . . 5.020 3.758 2.707 4.440 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLN QE 1 91 THR HB . . 5.500 4.165 3.281 4.977 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN QE 1 93 ILE MD . . 3.710 2.872 1.767 3.678 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLN HG3 1 60 THR HB . . 4.760 4.137 3.431 4.830 0.070 15 0 "[ . 1 . 2]" 1
225 1 15 GLN HG3 1 60 THR MG . . 4.570 3.537 2.062 4.663 0.093 13 0 "[ . 1 . 2]" 1
226 1 15 GLN HG3 1 91 THR HB . . 4.900 3.718 3.033 4.740 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLN H 1 16 GLN HE21 . . 5.290 4.969 4.525 5.368 0.078 16 0 "[ . 1 . 2]" 1
228 1 16 GLN H 1 16 GLN HG3 . . 3.800 3.352 2.886 3.722 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLN H 1 56 ILE MG . . 5.360 4.362 3.982 4.767 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLN H 1 59 ALA HA . . 3.850 3.665 3.322 3.923 0.073 20 0 "[ . 1 . 2]" 1
231 1 16 GLN H 1 60 THR H . . 5.500 5.271 4.852 5.572 0.072 19 0 "[ . 1 . 2]" 1
232 1 16 GLN HA 1 17 SER H . . 2.810 2.338 2.217 2.476 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLN HA 1 88 LEU QD . . 4.850 4.047 3.176 4.496 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLN HA 1 89 HIS H . . 4.910 4.338 3.979 4.817 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLN HA 1 90 ILE HA . . 3.420 2.496 2.203 2.707 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLN HA 1 90 ILE HB . . 5.500 5.359 4.960 5.573 0.073 6 0 "[ . 1 . 2]" 1
237 1 16 GLN HA 1 90 ILE MD . . 4.290 3.218 2.518 4.387 0.097 13 0 "[ . 1 . 2]" 1
238 1 16 GLN HA 1 90 ILE MG . . 4.560 4.278 3.852 4.662 0.102 11 0 "[ . 1 . 2]" 1
239 1 16 GLN HA 1 91 THR H . . 4.270 3.550 3.151 3.903 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLN HB3 1 17 SER H . . 3.800 3.932 3.668 4.120 0.320 9 0 "[ . 1 . 2]" 1
241 1 16 GLN HB3 1 20 THR MG . . 4.680 4.181 3.656 4.821 0.141 13 0 "[ . 1 . 2]" 1
242 1 16 GLN HB3 1 88 LEU QD . . 3.500 3.755 2.887 4.322 0.822 7 7 "[* .*+ *1 - * * 2]" 1
243 1 16 GLN HE21 1 20 THR HB . . 4.840 3.850 2.146 4.898 0.058 4 0 "[ . 1 . 2]" 1
244 1 16 GLN HE21 1 20 THR MG . . 4.970 3.533 2.581 4.266 . 0 0 "[ . 1 . 2]" 1
245 1 16 GLN HE21 1 56 ILE HB . . 4.970 4.442 3.577 5.042 0.072 20 0 "[ . 1 . 2]" 1
246 1 16 GLN HE21 1 56 ILE MG . . 3.570 2.698 1.913 3.538 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLN HE21 1 57 ARG HA . . 5.330 3.918 3.361 4.517 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLN HE21 1 58 THR H . . 5.000 2.934 2.145 4.054 . 0 0 "[ . 1 . 2]" 1
249 1 16 GLN HE21 1 59 ALA HA . . 4.570 3.726 2.998 4.642 0.072 10 0 "[ . 1 . 2]" 1
250 1 16 GLN HE22 1 20 THR HB . . 5.180 3.729 2.685 5.247 0.067 8 0 "[ . 1 . 2]" 1
251 1 16 GLN HE22 1 20 THR MG . . 4.570 3.810 2.972 4.571 0.001 2 0 "[ . 1 . 2]" 1
252 1 16 GLN HE22 1 25 VAL QG . . 5.120 3.914 2.331 5.015 . 0 0 "[ . 1 . 2]" 1
253 1 16 GLN HE22 1 56 ILE HB . . 4.640 3.842 2.961 4.690 0.050 13 0 "[ . 1 . 2]" 1
254 1 16 GLN HE22 1 56 ILE MG . . 3.720 2.940 2.552 3.505 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLN HE22 1 57 ARG H . . 5.500 4.692 3.995 5.550 0.050 1 0 "[ . 1 . 2]" 1
256 1 16 GLN HE22 1 57 ARG HA . . 3.760 3.036 2.317 3.708 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLN HE22 1 58 THR H . . 4.620 3.250 2.491 4.180 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLN HG3 1 17 SER HA . . 4.600 3.672 3.119 4.675 0.075 3 0 "[ . 1 . 2]" 1
259 1 16 GLN HG3 1 20 THR MG . . 4.300 2.276 1.961 3.007 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLN HG3 1 59 ALA HA . . 3.900 3.160 2.431 3.912 0.012 1 0 "[ . 1 . 2]" 1
261 1 17 SER H 1 20 THR MG . . 3.830 3.691 3.025 3.943 0.113 12 0 "[ . 1 . 2]" 1
262 1 17 SER H 1 88 LEU QD . . 3.770 3.414 2.404 3.800 0.030 3 0 "[ . 1 . 2]" 1
263 1 17 SER H 1 89 HIS HB3 . . 4.300 3.344 2.628 3.593 . 0 0 "[ . 1 . 2]" 1
264 1 17 SER H 1 89 HIS HD2 . . 5.500 4.693 3.855 5.112 . 0 0 "[ . 1 . 2]" 1
265 1 17 SER H 1 90 ILE HA . . 4.180 4.025 3.793 4.255 0.075 19 0 "[ . 1 . 2]" 1
266 1 17 SER HA 1 18 GLY H . . 2.810 2.471 2.196 2.739 . 0 0 "[ . 1 . 2]" 1
267 1 17 SER HA 1 20 THR MG . . 3.330 2.741 2.222 3.393 0.063 10 0 "[ . 1 . 2]" 1
268 1 18 GLY H 1 19 ASP H . . 4.470 4.359 3.961 4.532 0.062 5 0 "[ . 1 . 2]" 1
269 1 18 GLY H 1 20 THR H . . 5.370 4.417 3.719 5.415 0.045 7 0 "[ . 1 . 2]" 1
270 1 18 GLY H 1 20 THR MG . . 4.260 3.168 2.312 4.054 . 0 0 "[ . 1 . 2]" 1
271 1 18 GLY H 1 88 LEU QD . . 5.500 4.522 3.924 4.985 . 0 0 "[ . 1 . 2]" 1
272 1 18 GLY HA2 1 19 ASP H . . 3.450 3.107 2.752 3.432 . 0 0 "[ . 1 . 2]" 1
273 1 18 GLY HA3 1 19 ASP H . . 3.010 2.211 2.134 2.350 . 0 0 "[ . 1 . 2]" 1
274 1 18 GLY HA3 1 20 THR H . . 5.360 4.642 3.818 5.439 0.079 9 0 "[ . 1 . 2]" 1
275 1 19 ASP H 1 19 ASP HB3 . . 3.970 2.919 2.320 3.772 . 0 0 "[ . 1 . 2]" 1
276 1 19 ASP H 1 20 THR H . . 4.460 3.722 3.046 4.268 . 0 0 "[ . 1 . 2]" 1
277 1 19 ASP H 1 20 THR MG . . 4.680 4.105 3.424 4.771 0.091 20 0 "[ . 1 . 2]" 1
278 1 19 ASP H 1 86 LYS HB3 . . 5.160 4.519 4.244 4.903 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASP H 1 87 ARG H . . 4.210 3.266 2.822 3.828 . 0 0 "[ . 1 . 2]" 1
280 1 19 ASP H 1 87 ARG HB3 . . 5.080 5.129 4.501 5.767 0.687 1 3 "[+ . 1 * - 2]" 1
281 1 19 ASP H 1 88 LEU HA . . 3.950 3.219 2.832 3.497 . 0 0 "[ . 1 . 2]" 1
282 1 19 ASP H 1 88 LEU HB3 . . 5.500 5.516 5.220 5.828 0.328 7 0 "[ . 1 . 2]" 1
283 1 19 ASP H 1 88 LEU QD . . 4.400 2.794 1.930 3.350 . 0 0 "[ . 1 . 2]" 1
284 1 19 ASP H 1 89 HIS H . . 5.170 5.092 4.698 5.253 0.083 10 0 "[ . 1 . 2]" 1
285 1 19 ASP HA 1 20 THR H . . 2.880 2.397 2.129 2.829 . 0 0 "[ . 1 . 2]" 1
286 1 19 ASP HA 1 20 THR MG . . 4.890 4.111 3.566 4.922 0.032 3 0 "[ . 1 . 2]" 1
287 1 19 ASP HA 1 21 ASP H . . 4.110 3.593 3.228 3.961 . 0 0 "[ . 1 . 2]" 1
288 1 19 ASP HB3 1 20 THR H . . 5.400 4.426 3.907 4.699 . 0 0 "[ . 1 . 2]" 1
289 1 19 ASP HB3 1 86 LYS HA . . 4.990 3.998 3.229 4.817 . 0 0 "[ . 1 . 2]" 1
290 1 19 ASP HB3 1 86 LYS HB3 . . 4.620 2.683 2.340 3.585 . 0 0 "[ . 1 . 2]" 1
291 1 19 ASP HB3 1 86 LYS HD3 . . 4.630 4.548 3.330 5.847 1.217 5 4 "[ **+ 1 -. 2]" 1
292 1 19 ASP HB3 1 87 ARG H . . 4.180 3.495 1.868 4.250 0.070 7 0 "[ . 1 . 2]" 1
293 1 20 THR H 1 20 THR MG . . 2.920 2.331 1.901 2.906 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR H 1 21 ASP H . . 3.470 3.025 2.356 3.544 0.074 20 0 "[ . 1 . 2]" 1
295 1 20 THR H 1 88 LEU QD . . 4.440 3.928 3.054 4.486 0.046 9 0 "[ . 1 . 2]" 1
296 1 20 THR HA 1 20 THR MG . . 3.160 2.397 2.222 3.250 0.090 8 0 "[ . 1 . 2]" 1
297 1 20 THR HA 1 22 SER H . . 4.220 3.916 3.034 4.294 0.074 15 0 "[ . 1 . 2]" 1
298 1 20 THR HA 1 23 PHE H . . 4.550 4.204 3.230 4.639 0.089 20 0 "[ . 1 . 2]" 1
299 1 20 THR HA 1 88 LEU QD . . 3.210 2.873 2.133 3.291 0.081 13 0 "[ . 1 . 2]" 1
300 1 20 THR HB 1 88 LEU QD . . 5.420 4.314 2.024 5.065 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR MG 1 21 ASP H . . 4.590 4.302 3.451 4.460 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR MG 1 59 ALA HA . . 4.940 3.927 2.774 4.989 0.049 10 0 "[ . 1 . 2]" 1
303 1 20 THR MG 1 59 ALA MB . . 5.500 4.438 3.098 5.595 0.095 10 0 "[ . 1 . 2]" 1
304 1 20 THR MG 1 88 LEU QD . . 3.320 2.773 1.995 3.423 0.103 13 0 "[ . 1 . 2]" 1
305 1 21 ASP H 1 22 SER H . . 3.470 2.149 1.805 2.799 . 0 0 "[ . 1 . 2]" 1
306 1 21 ASP H 1 22 SER HB3 . . 5.050 5.126 4.100 6.179 1.129 16 3 "[* . - 1 .+ 2]" 1
307 1 21 ASP H 1 23 PHE H . . 4.570 4.075 3.398 4.602 0.032 10 0 "[ . 1 . 2]" 1
308 1 21 ASP H 1 88 LEU QD . . 5.500 4.636 4.103 5.155 . 0 0 "[ . 1 . 2]" 1
309 1 22 SER H 1 22 SER HB3 . . 3.220 3.283 2.530 3.736 0.516 14 2 "[ .- 1 +. 2]" 1
310 1 22 SER H 1 23 PHE H . . 3.180 2.552 1.940 3.125 . 0 0 "[ . 1 . 2]" 1
311 1 22 SER HB3 1 23 PHE H . . 4.250 4.253 3.669 4.577 0.327 14 0 "[ . 1 . 2]" 1
312 1 23 PHE H 1 24 GLU H . . 4.740 4.348 4.024 4.646 . 0 0 "[ . 1 . 2]" 1
313 1 23 PHE H 1 25 VAL QG . . 5.500 5.042 4.231 5.516 0.016 20 0 "[ . 1 . 2]" 1
314 1 23 PHE H 1 88 LEU QD . . 5.500 4.480 3.764 4.975 . 0 0 "[ . 1 . 2]" 1
315 1 23 PHE HA 1 24 GLU H . . 2.960 2.226 1.923 2.573 . 0 0 "[ . 1 . 2]" 1
316 1 23 PHE HA 1 24 GLU HB3 . . 5.500 5.225 4.624 5.684 0.184 1 0 "[ . 1 . 2]" 1
317 1 23 PHE HA 1 78 VAL QG . . 5.410 4.390 3.963 4.987 . 0 0 "[ . 1 . 2]" 1
318 1 23 PHE HA 1 79 SER H . . 4.860 4.493 4.173 4.831 . 0 0 "[ . 1 . 2]" 1
319 1 23 PHE HA 1 80 SER HA . . 4.390 3.041 2.661 3.698 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE HA 1 81 ILE H . . 5.500 4.747 4.175 5.350 . 0 0 "[ . 1 . 2]" 1
321 1 23 PHE HA 1 88 LEU QD . . 5.500 4.452 3.848 5.113 . 0 0 "[ . 1 . 2]" 1
322 1 24 GLU H 1 24 GLU HB3 . . 3.750 3.305 2.531 3.591 . 0 0 "[ . 1 . 2]" 1
323 1 24 GLU H 1 25 VAL H . . 4.640 4.142 3.387 4.611 . 0 0 "[ . 1 . 2]" 1
324 1 24 GLU H 1 78 VAL QG . . 5.130 3.853 2.782 4.946 . 0 0 "[ . 1 . 2]" 1
325 1 24 GLU H 1 79 SER H . . 3.590 3.025 2.587 3.661 0.071 2 0 "[ . 1 . 2]" 1
326 1 24 GLU H 1 80 SER HA . . 4.630 3.691 3.066 4.023 . 0 0 "[ . 1 . 2]" 1
327 1 24 GLU HA 1 25 VAL H . . 2.810 2.264 2.122 2.437 . 0 0 "[ . 1 . 2]" 1
328 1 24 GLU HA 1 25 VAL HB . . 5.040 4.801 4.623 5.124 0.084 18 0 "[ . 1 . 2]" 1
329 1 24 GLU HA 1 55 GLN HE21 . . 4.030 3.311 2.271 4.096 0.066 19 0 "[ . 1 . 2]" 1
330 1 24 GLU HA 1 55 GLN HE22 . . 4.750 3.904 2.870 4.813 0.063 7 0 "[ . 1 . 2]" 1
331 1 24 GLU HA 1 55 GLN HG3 . . 4.330 4.052 3.368 4.728 0.398 9 0 "[ . 1 . 2]" 1
332 1 24 GLU HB3 1 25 VAL H . . 4.460 3.907 3.063 4.426 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLU HB3 1 79 SER H . . 4.710 4.166 2.878 4.803 0.093 4 0 "[ . 1 . 2]" 1
334 1 25 VAL H 1 25 VAL HB . . 3.350 2.868 2.645 3.435 0.085 17 0 "[ . 1 . 2]" 1
335 1 25 VAL H 1 25 VAL QG . . 3.530 2.551 1.662 3.089 . 0 0 "[ . 1 . 2]" 1
336 1 25 VAL H 1 26 SER H . . 4.760 4.020 3.468 4.508 . 0 0 "[ . 1 . 2]" 1
337 1 25 VAL H 1 55 GLN HE21 . . 4.430 3.592 2.730 4.350 . 0 0 "[ . 1 . 2]" 1
338 1 25 VAL H 1 55 GLN HE22 . . 5.370 4.738 3.802 5.442 0.072 16 0 "[ . 1 . 2]" 1
339 1 25 VAL H 1 55 GLN HG3 . . 4.730 3.080 2.072 4.220 . 0 0 "[ . 1 . 2]" 1
340 1 25 VAL H 1 56 ILE H . . 4.140 3.883 3.513 4.224 0.084 18 0 "[ . 1 . 2]" 1
341 1 25 VAL H 1 78 VAL QG . . 5.500 4.610 3.153 5.168 . 0 0 "[ . 1 . 2]" 1
342 1 25 VAL HA 1 25 VAL QG . . 3.300 2.207 2.141 2.382 . 0 0 "[ . 1 . 2]" 1
343 1 25 VAL HA 1 26 SER H . . 2.870 2.276 2.192 2.355 . 0 0 "[ . 1 . 2]" 1
344 1 25 VAL HA 1 78 VAL QG . . 4.740 3.187 2.516 3.655 . 0 0 "[ . 1 . 2]" 1
345 1 25 VAL HA 1 79 SER H . . 3.890 3.861 3.434 3.981 0.091 16 0 "[ . 1 . 2]" 1
346 1 25 VAL HB 1 26 SER H . . 5.060 4.401 4.246 4.515 . 0 0 "[ . 1 . 2]" 1
347 1 25 VAL HB 1 56 ILE H . . 4.020 3.067 2.254 4.140 0.120 19 0 "[ . 1 . 2]" 1
348 1 25 VAL HB 1 56 ILE HB . . 3.650 2.526 2.038 3.743 0.093 17 0 "[ . 1 . 2]" 1
349 1 25 VAL HB 1 56 ILE HG13 . . 4.900 3.514 2.552 5.180 0.280 17 0 "[ . 1 . 2]" 1
350 1 25 VAL QG 1 26 SER H . . 3.450 3.210 2.838 3.424 . 0 0 "[ . 1 . 2]" 1
351 1 25 VAL QG 1 26 SER HA . . 5.290 3.894 3.280 4.188 . 0 0 "[ . 1 . 2]" 1
352 1 25 VAL QG 1 56 ILE H . . 4.390 3.047 1.767 3.621 . 0 0 "[ . 1 . 2]" 1
353 1 25 VAL QG 1 56 ILE HB . . 3.590 2.563 1.839 3.093 . 0 0 "[ . 1 . 2]" 1
354 1 25 VAL QG 1 77 SER H . . 4.600 4.078 3.518 4.600 0.000 12 0 "[ . 1 . 2]" 1
355 1 25 VAL QG 1 78 VAL HA . . 4.340 3.100 2.334 3.805 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL QG 1 78 VAL QG . . 4.180 2.194 1.718 3.065 . 0 0 "[ . 1 . 2]" 1
357 1 25 VAL QG 1 79 SER H . . 4.670 3.940 3.227 4.442 . 0 0 "[ . 1 . 2]" 1
358 1 25 VAL QG 1 88 LEU QD . . 3.230 2.791 2.218 3.162 . 0 0 "[ . 1 . 2]" 1
359 1 25 VAL QG 1 90 ILE MD . . 3.160 2.051 1.839 2.370 . 0 0 "[ . 1 . 2]" 1
360 1 25 VAL QG 1 119 PHE QE . . 2.960 2.576 2.139 3.043 0.083 16 0 "[ . 1 . 2]" 1
361 1 25 VAL QG 1 119 PHE HZ . . 4.220 2.486 2.157 3.182 . 0 0 "[ . 1 . 2]" 1
362 1 26 SER H 1 26 SER HB3 . . 3.500 3.299 2.420 3.792 0.292 10 0 "[ . 1 . 2]" 1
363 1 26 SER H 1 27 VAL H . . 5.380 4.339 3.973 4.510 . 0 0 "[ . 1 . 2]" 1
364 1 26 SER H 1 27 VAL QG . . 4.880 4.089 3.641 4.453 . 0 0 "[ . 1 . 2]" 1
365 1 26 SER H 1 76 GLY QA . . 5.110 4.560 4.155 5.070 . 0 0 "[ . 1 . 2]" 1
366 1 26 SER H 1 77 SER H . . 3.610 3.179 2.774 3.680 0.070 16 0 "[ . 1 . 2]" 1
367 1 26 SER H 1 78 VAL HA . . 3.970 3.684 3.051 4.043 0.073 7 0 "[ . 1 . 2]" 1
368 1 26 SER HA 1 27 VAL H . . 2.760 2.126 2.048 2.300 . 0 0 "[ . 1 . 2]" 1
369 1 26 SER HA 1 27 VAL QG . . 4.240 3.395 3.197 3.593 . 0 0 "[ . 1 . 2]" 1
370 1 26 SER HA 1 55 GLN H . . 4.630 4.560 4.127 4.725 0.095 2 0 "[ . 1 . 2]" 1
371 1 26 SER HA 1 55 GLN HA . . 3.120 2.210 1.945 2.470 . 0 0 "[ . 1 . 2]" 1
372 1 26 SER HA 1 56 ILE H . . 3.760 3.593 3.150 3.840 0.080 16 0 "[ . 1 . 2]" 1
373 1 26 SER HB3 1 27 VAL H . . 4.000 3.750 3.130 4.054 0.054 2 0 "[ . 1 . 2]" 1
374 1 27 VAL H 1 27 VAL QG . . 4.010 2.278 1.994 2.630 . 0 0 "[ . 1 . 2]" 1
375 1 27 VAL H 1 28 SER H . . 4.470 4.409 4.200 4.522 0.052 5 0 "[ . 1 . 2]" 1
376 1 27 VAL H 1 53 SER HA . . 4.770 4.670 4.303 4.837 0.067 3 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 54 ALA H . . 4.040 3.196 2.838 4.094 0.054 16 0 "[ . 1 . 2]" 1
378 1 27 VAL H 1 54 ALA MB . . 5.190 4.312 3.838 4.965 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 55 GLN HA . . 3.830 3.155 2.771 3.641 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL H 1 56 ILE H . . 4.360 4.437 4.419 4.453 0.093 18 0 "[ . 1 . 2]" 1
381 1 27 VAL H 1 56 ILE MD . . 5.100 4.430 3.929 5.098 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL H 1 56 ILE HG13 . . 5.500 5.693 4.969 6.207 0.707 6 2 "[ .+ 1 . -]" 1
383 1 27 VAL HA 1 27 VAL QG . . 3.180 2.222 2.126 2.399 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HA 1 28 SER H . . 2.770 2.206 2.102 2.415 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HA 1 76 GLY QA . . 3.760 2.076 1.972 2.176 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL HA 1 77 SER H . . 3.910 3.593 3.169 3.921 0.011 7 0 "[ . 1 . 2]" 1
387 1 27 VAL HB 1 28 SER H . . 3.410 3.226 2.727 3.493 0.083 20 0 "[ . 1 . 2]" 1
388 1 27 VAL HB 1 54 ALA H . . 5.500 4.589 3.492 5.575 0.075 19 0 "[ . 1 . 2]" 1
389 1 27 VAL HB 1 76 GLY QA . . 4.760 3.864 2.910 4.342 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL QG 1 28 SER H . . 3.760 3.163 1.933 3.595 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL QG 1 76 GLY H . . 5.500 3.783 3.126 4.382 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL QG 1 76 GLY QA . . 4.150 2.247 1.943 2.763 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL QG 1 77 SER H . . 4.410 3.642 3.056 3.996 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL QG 1 119 PHE QE . . 3.910 2.237 1.997 2.586 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL QG 1 119 PHE HZ . . 2.950 2.102 1.972 2.401 . 0 0 "[ . 1 . 2]" 1
396 1 28 SER H 1 28 SER HB3 . . 3.570 2.813 2.081 3.612 0.042 4 0 "[ . 1 . 2]" 1
397 1 28 SER H 1 29 ILE H . . 4.750 4.521 4.293 4.652 . 0 0 "[ . 1 . 2]" 1
398 1 28 SER H 1 29 ILE HG13 . . 5.220 4.384 3.601 4.899 . 0 0 "[ . 1 . 2]" 1
399 1 28 SER H 1 74 CYS HA . . 4.510 4.368 3.854 4.585 0.075 10 0 "[ . 1 . 2]" 1
400 1 28 SER H 1 75 ALA MB . . 4.740 4.140 3.618 4.833 0.093 18 0 "[ . 1 . 2]" 1
401 1 28 SER H 1 76 GLY H . . 5.500 4.739 4.431 5.063 . 0 0 "[ . 1 . 2]" 1
402 1 28 SER H 1 76 GLY QA . . 5.450 2.838 2.232 3.237 . 0 0 "[ . 1 . 2]" 1
403 1 28 SER HA 1 29 ILE H . . 2.840 2.273 2.179 2.382 . 0 0 "[ . 1 . 2]" 1
404 1 28 SER HA 1 29 ILE HB . . 4.520 4.385 4.177 4.584 0.064 18 0 "[ . 1 . 2]" 1
405 1 28 SER HA 1 29 ILE HG13 . . 4.300 3.831 3.210 4.197 . 0 0 "[ . 1 . 2]" 1
406 1 28 SER HB3 1 29 ILE H . . 4.390 3.788 2.908 4.342 . 0 0 "[ . 1 . 2]" 1
407 1 29 ILE H 1 29 ILE HB . . 3.300 2.538 2.379 2.677 . 0 0 "[ . 1 . 2]" 1
408 1 29 ILE H 1 29 ILE MD . . 4.480 3.935 3.578 4.234 . 0 0 "[ . 1 . 2]" 1
409 1 29 ILE H 1 29 ILE HG13 . . 4.230 3.160 2.729 3.354 . 0 0 "[ . 1 . 2]" 1
410 1 29 ILE H 1 29 ILE MG . . 4.190 3.796 3.684 3.885 . 0 0 "[ . 1 . 2]" 1
411 1 29 ILE H 1 30 GLY HA2 . . 5.500 5.013 4.791 5.243 . 0 0 "[ . 1 . 2]" 1
412 1 29 ILE H 1 40 LEU QD . . 5.500 4.723 4.179 5.195 . 0 0 "[ . 1 . 2]" 1
413 1 29 ILE H 1 52 TYR H . . 3.650 3.221 2.946 3.405 . 0 0 "[ . 1 . 2]" 1
414 1 29 ILE H 1 52 TYR QD . . 3.880 3.960 3.938 3.971 0.091 13 0 "[ . 1 . 2]" 1
415 1 29 ILE H 1 53 SER H . . 5.500 4.731 4.602 4.889 . 0 0 "[ . 1 . 2]" 1
416 1 29 ILE H 1 54 ALA H . . 5.090 4.580 4.143 5.011 . 0 0 "[ . 1 . 2]" 1
417 1 29 ILE HA 1 29 ILE MD . . 4.090 3.877 3.817 3.971 . 0 0 "[ . 1 . 2]" 1
418 1 29 ILE HA 1 29 ILE HG13 . . 3.650 2.805 2.634 3.030 . 0 0 "[ . 1 . 2]" 1
419 1 29 ILE HA 1 29 ILE MG . . 3.200 2.523 2.429 2.628 . 0 0 "[ . 1 . 2]" 1
420 1 29 ILE HA 1 30 GLY H . . 2.800 2.192 2.114 2.367 . 0 0 "[ . 1 . 2]" 1
421 1 29 ILE HA 1 30 GLY HA3 . . 4.690 4.370 4.271 4.468 . 0 0 "[ . 1 . 2]" 1
422 1 29 ILE HA 1 52 TYR H . . 5.470 5.364 5.075 5.535 0.065 19 0 "[ . 1 . 2]" 1
423 1 29 ILE HA 1 73 THR H . . 5.500 4.461 4.227 4.977 . 0 0 "[ . 1 . 2]" 1
424 1 29 ILE HB 1 40 LEU QD . . 4.510 3.896 3.081 4.260 . 0 0 "[ . 1 . 2]" 1
425 1 29 ILE HB 1 52 TYR H . . 3.970 3.953 3.728 4.046 0.076 15 0 "[ . 1 . 2]" 1
426 1 29 ILE HB 1 52 TYR QD . . 3.070 2.959 2.639 3.141 0.071 2 0 "[ . 1 . 2]" 1
427 1 29 ILE HB 1 54 ALA H . . 5.010 4.596 3.688 5.071 0.061 2 0 "[ . 1 . 2]" 1
428 1 29 ILE MD 1 52 TYR QD . . 3.870 2.968 2.438 3.304 . 0 0 "[ . 1 . 2]" 1
429 1 29 ILE MD 1 52 TYR HE1 . . 4.770 2.080 1.970 2.150 . 0 0 "[ . 1 . 2]" 1
430 1 29 ILE MD 1 54 ALA H . . 5.010 3.071 1.963 3.979 . 0 0 "[ . 1 . 2]" 1
431 1 29 ILE MD 1 63 CYS HB3 . . 3.700 3.534 2.958 3.797 0.097 10 0 "[ . 1 . 2]" 1
432 1 29 ILE HG13 1 52 TYR QD . . 4.870 4.491 4.158 4.789 . 0 0 "[ . 1 . 2]" 1
433 1 29 ILE HG13 1 74 CYS HA . . 4.300 4.066 2.940 4.373 0.073 18 0 "[ . 1 . 2]" 1
434 1 29 ILE MG 1 30 GLY H . . 3.200 2.899 2.248 3.272 0.072 7 0 "[ . 1 . 2]" 1
435 1 29 ILE MG 1 30 GLY HA2 . . 4.540 3.557 3.059 4.004 . 0 0 "[ . 1 . 2]" 1
436 1 29 ILE MG 1 30 GLY HA3 . . 4.790 4.474 4.055 4.805 0.015 15 0 "[ . 1 . 2]" 1
437 1 29 ILE MG 1 40 LEU QD . . 3.460 2.307 1.827 2.698 . 0 0 "[ . 1 . 2]" 1
438 1 29 ILE MG 1 52 TYR H . . 5.160 4.504 4.130 4.820 . 0 0 "[ . 1 . 2]" 1
439 1 29 ILE MG 1 52 TYR QD . . 4.070 3.973 3.537 4.162 0.092 18 0 "[ . 1 . 2]" 1
440 1 29 ILE MG 1 52 TYR HE1 . . 4.100 2.805 2.332 3.055 . 0 0 "[ . 1 . 2]" 1
441 1 29 ILE MG 1 52 TYR QE . . 2.900 2.763 2.319 2.994 0.094 2 0 "[ . 1 . 2]" 1
442 1 29 ILE MG 1 72 MET ME . . 2.860 2.311 1.991 2.760 . 0 0 "[ . 1 . 2]" 1
443 1 29 ILE MG 1 73 THR H . . 5.420 4.593 3.943 5.343 . 0 0 "[ . 1 . 2]" 1
444 1 30 GLY H 1 31 GLY H . . 4.670 4.344 4.267 4.410 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLY H 1 40 LEU QD . . 5.090 3.328 2.972 3.921 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLY H 1 72 MET ME . . 4.510 4.226 3.842 4.591 0.081 10 0 "[ . 1 . 2]" 1
447 1 30 GLY H 1 73 THR H . . 4.100 3.003 2.708 3.702 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLY H 1 73 THR HB . . 5.500 5.317 4.585 5.555 0.055 13 0 "[ . 1 . 2]" 1
449 1 30 GLY H 1 73 THR MG . . 4.320 2.930 2.613 3.507 . 0 0 "[ . 1 . 2]" 1
450 1 30 GLY HA2 1 31 GLY H . . 3.020 2.474 2.318 2.596 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLY HA2 1 40 LEU QD . . 3.330 2.046 1.927 2.267 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLY HA2 1 40 LEU HG . . 5.150 3.675 3.158 4.197 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLY HA2 1 72 MET ME . . 5.270 5.218 4.803 5.367 0.097 16 0 "[ . 1 . 2]" 1
454 1 30 GLY HA3 1 31 GLY H . . 3.280 2.652 2.549 2.849 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLY HA3 1 40 LEU QD . . 4.130 3.396 3.245 3.720 . 0 0 "[ . 1 . 2]" 1
456 1 31 GLY H 1 32 ALA H . . 4.830 4.311 4.210 4.364 . 0 0 "[ . 1 . 2]" 1
457 1 31 GLY H 1 38 ALA H . . 4.060 3.656 3.261 4.138 0.078 19 0 "[ . 1 . 2]" 1
458 1 31 GLY H 1 38 ALA MB . . 4.120 3.643 2.784 4.199 0.079 7 0 "[ . 1 . 2]" 1
459 1 31 GLY H 1 40 LEU QD . . 4.220 3.103 2.625 3.433 . 0 0 "[ . 1 . 2]" 1
460 1 31 GLY H 1 40 LEU HG . . 5.500 5.218 4.204 5.569 0.069 13 0 "[ . 1 . 2]" 1
461 1 31 GLY HA2 1 32 ALA H . . 3.490 2.585 2.502 2.706 . 0 0 "[ . 1 . 2]" 1
462 1 31 GLY HA2 1 32 ALA MB . . 4.480 3.962 3.790 4.102 . 0 0 "[ . 1 . 2]" 1
463 1 31 GLY HA2 1 71 PHE QD . . 4.230 3.555 3.202 3.879 . 0 0 "[ . 1 . 2]" 1
464 1 31 GLY HA2 1 72 MET HA . . 3.450 3.004 2.662 3.522 0.072 18 0 "[ . 1 . 2]" 1
465 1 31 GLY HA2 1 72 MET HG3 . . 5.340 4.863 4.172 5.164 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLY HA2 1 73 THR H . . 4.060 3.950 3.471 4.127 0.067 18 0 "[ . 1 . 2]" 1
467 1 31 GLY HA2 1 73 THR MG . . 5.500 3.515 2.987 3.894 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLY HA3 1 32 ALA H . . 3.410 2.723 2.579 2.840 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLY HA3 1 38 ALA MB . . 3.720 2.835 2.413 3.649 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLY HA3 1 40 LEU QD . . 4.790 3.399 2.684 3.725 . 0 0 "[ . 1 . 2]" 1
471 1 31 GLY HA3 1 72 MET HA . . 3.560 2.730 2.250 3.418 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLY HA3 1 72 MET HG3 . . 5.150 3.829 3.441 4.075 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLY HA3 1 73 THR H . . 4.510 4.248 3.887 4.574 0.064 11 0 "[ . 1 . 2]" 1
474 1 32 ALA H 1 32 ALA MB . . 3.400 2.621 2.443 2.735 . 0 0 "[ . 1 . 2]" 1
475 1 32 ALA H 1 33 ASP H . . 4.970 4.408 4.216 4.484 . 0 0 "[ . 1 . 2]" 1
476 1 32 ALA H 1 38 ALA MB . . 4.020 3.286 2.993 3.719 . 0 0 "[ . 1 . 2]" 1
477 1 32 ALA H 1 69 ALA MB . . 5.240 3.602 3.048 4.428 . 0 0 "[ . 1 . 2]" 1
478 1 32 ALA H 1 70 PHE H . . 4.920 3.522 3.252 4.081 . 0 0 "[ . 1 . 2]" 1
479 1 32 ALA H 1 70 PHE HB3 . . 5.370 6.078 5.751 6.881 1.511 7 17 "[*** .*+********-***2]" 1
480 1 32 ALA H 1 71 PHE H . . 4.450 3.315 2.989 4.005 . 0 0 "[ . 1 . 2]" 1
481 1 32 ALA H 1 72 MET HA . . 4.820 4.518 4.073 4.836 0.016 11 0 "[ . 1 . 2]" 1
482 1 32 ALA HA 1 33 ASP H . . 2.750 2.327 2.178 2.434 . 0 0 "[ . 1 . 2]" 1
483 1 32 ALA HA 1 33 ASP HA . . 4.650 4.471 4.364 4.549 . 0 0 "[ . 1 . 2]" 1
484 1 32 ALA HA 1 36 GLY H . . 5.400 4.993 4.179 5.439 0.039 1 0 "[ . 1 . 2]" 1
485 1 32 ALA HA 1 37 PRO HA . . 3.560 2.348 2.029 3.488 . 0 0 "[ . 1 . 2]" 1
486 1 32 ALA HA 1 38 ALA H . . 3.330 2.462 1.984 3.052 . 0 0 "[ . 1 . 2]" 1
487 1 32 ALA HA 1 38 ALA HA . . 4.840 4.273 3.917 4.751 . 0 0 "[ . 1 . 2]" 1
488 1 32 ALA MB 1 33 ASP H . . 3.290 2.481 2.303 3.063 . 0 0 "[ . 1 . 2]" 1
489 1 32 ALA MB 1 35 GLY H . . 5.500 4.843 3.108 5.590 0.090 12 0 "[ . 1 . 2]" 1
490 1 32 ALA MB 1 36 GLY H . . 5.060 4.236 2.761 4.851 . 0 0 "[ . 1 . 2]" 1
491 1 32 ALA MB 1 36 GLY HA2 . . 5.420 4.553 3.103 5.190 . 0 0 "[ . 1 . 2]" 1
492 1 32 ALA MB 1 37 PRO HA . . 4.060 3.295 2.710 4.133 0.073 19 0 "[ . 1 . 2]" 1
493 1 32 ALA MB 1 70 PHE H . . 5.160 4.176 3.912 4.338 . 0 0 "[ . 1 . 2]" 1
494 1 32 ALA MB 1 70 PHE HB3 . . 3.960 5.325 4.808 5.534 1.574 10 20 [*********+*-********] 1
495 1 32 ALA MB 1 70 PHE QD . . 4.010 4.051 3.838 4.120 0.110 7 0 "[ . 1 . 2]" 1
496 1 32 ALA MB 1 71 PHE H . . 5.350 4.638 4.074 5.006 . 0 0 "[ . 1 . 2]" 1
497 1 32 ALA MB 1 71 PHE QD . . 3.540 3.379 2.701 3.647 0.107 18 0 "[ . 1 . 2]" 1
498 1 32 ALA MB 1 71 PHE QE . . 3.410 2.081 1.994 2.285 . 0 0 "[ . 1 . 2]" 1
499 1 33 ASP H 1 34 LYS H . . 5.130 4.320 4.174 4.399 . 0 0 "[ . 1 . 2]" 1
500 1 33 ASP H 1 35 GLY H . . 5.280 3.903 3.059 4.256 . 0 0 "[ . 1 . 2]" 1
501 1 33 ASP H 1 36 GLY H . . 3.580 3.156 2.771 3.648 0.068 1 0 "[ . 1 . 2]" 1
502 1 33 ASP H 1 36 GLY HA2 . . 4.960 4.527 3.449 4.773 . 0 0 "[ . 1 . 2]" 1
503 1 33 ASP H 1 37 PRO HA . . 4.280 3.651 3.334 4.273 . 0 0 "[ . 1 . 2]" 1
504 1 33 ASP H 1 38 ALA H . . 4.270 4.061 3.453 4.347 0.077 16 0 "[ . 1 . 2]" 1
505 1 33 ASP H 1 38 ALA HA . . 4.850 4.431 3.798 4.895 0.045 8 0 "[ . 1 . 2]" 1
506 1 33 ASP H 1 38 ALA MB . . 4.270 3.649 2.723 4.141 . 0 0 "[ . 1 . 2]" 1
507 1 33 ASP HA 1 34 LYS H . . 3.370 2.608 2.129 2.889 . 0 0 "[ . 1 . 2]" 1
508 1 33 ASP HA 1 38 ALA MB . . 4.590 3.971 3.235 4.678 0.088 16 0 "[ . 1 . 2]" 1
509 1 33 ASP HA 1 69 ALA HA . . 3.580 2.308 1.956 2.711 . 0 0 "[ . 1 . 2]" 1
510 1 33 ASP HA 1 69 ALA MB . . 4.500 3.947 3.515 4.296 . 0 0 "[ . 1 . 2]" 1
511 1 33 ASP HA 1 70 PHE H . . 3.550 3.161 2.834 3.623 0.073 11 0 "[ . 1 . 2]" 1
512 1 33 ASP HA 1 70 PHE QD . . 3.530 2.627 2.298 3.022 . 0 0 "[ . 1 . 2]" 1
513 1 33 ASP HA 1 70 PHE QE . . 4.100 3.717 3.341 4.145 0.045 5 0 "[ . 1 . 2]" 1
514 1 33 ASP HA 1 71 PHE H . . 5.500 5.058 4.777 5.563 0.063 11 0 "[ . 1 . 2]" 1
515 1 33 ASP HB3 1 34 LYS H . . 3.150 3.570 2.946 3.699 0.549 7 9 "[ ** + * * ** *-2]" 1
516 1 33 ASP HB3 1 34 LYS HA . . 4.790 5.822 4.865 5.983 1.193 7 18 "[* ****+-******* ****]" 1
517 1 33 ASP HB3 1 35 GLY H . . 4.820 5.061 2.555 5.575 0.755 14 9 "[ -** *** +. * *]" 1
518 1 33 ASP HB3 1 38 ALA MB . . 4.920 2.791 2.129 4.448 . 0 0 "[ . 1 . 2]" 1
519 1 33 ASP HB3 1 69 ALA HA . . 3.580 2.666 2.073 3.675 0.095 16 0 "[ . 1 . 2]" 1
520 1 33 ASP HB3 1 69 ALA MB . . 4.760 3.681 3.004 4.842 0.082 2 0 "[ . 1 . 2]" 1
521 1 34 LYS H 1 34 LYS HB3 . . 3.310 2.678 2.341 3.390 0.080 7 0 "[ . 1 . 2]" 1
522 1 34 LYS H 1 35 GLY H . . 3.700 3.485 2.657 3.760 0.060 11 0 "[ . 1 . 2]" 1
523 1 34 LYS H 1 36 GLY H . . 5.030 4.577 4.137 5.052 0.022 11 0 "[ . 1 . 2]" 1
524 1 34 LYS H 1 69 ALA HA . . 4.670 4.289 3.583 4.737 0.067 19 0 "[ . 1 . 2]" 1
525 1 34 LYS H 1 70 PHE QD . . 4.620 3.770 2.195 4.180 . 0 0 "[ . 1 . 2]" 1
526 1 34 LYS H 1 70 PHE QE . . 3.860 3.008 1.989 3.511 . 0 0 "[ . 1 . 2]" 1
527 1 34 LYS HA 1 34 LYS HB3 . . 2.990 3.044 2.985 3.064 0.074 16 0 "[ . 1 . 2]" 1
528 1 34 LYS HA 1 36 GLY H . . 4.660 4.359 4.068 4.739 0.079 7 0 "[ . 1 . 2]" 1
529 1 34 LYS HA 1 70 PHE QE . . 3.030 2.420 2.065 3.101 0.071 1 0 "[ . 1 . 2]" 1
530 1 34 LYS HB3 1 70 PHE QE . . 4.150 3.822 3.547 4.290 0.140 7 0 "[ . 1 . 2]" 1
531 1 35 GLY H 1 36 GLY H . . 3.010 2.112 1.708 2.684 . 0 0 "[ . 1 . 2]" 1
532 1 37 PRO HA 1 38 ALA H . . 2.900 2.245 2.028 2.483 . 0 0 "[ . 1 . 2]" 1
533 1 37 PRO HB3 1 38 ALA H . . 3.970 3.850 3.559 3.975 0.005 9 0 "[ . 1 . 2]" 1
534 1 37 PRO HG3 1 38 ALA H . . 5.390 5.427 5.006 5.534 0.144 19 0 "[ . 1 . 2]" 1
535 1 38 ALA H 1 38 ALA MB . . 3.180 2.287 2.180 2.487 . 0 0 "[ . 1 . 2]" 1
536 1 38 ALA H 1 39 LYS H . . 5.490 4.475 4.270 4.639 . 0 0 "[ . 1 . 2]" 1
537 1 38 ALA HA 1 39 LYS H . . 2.850 2.240 2.077 2.346 . 0 0 "[ . 1 . 2]" 1
538 1 38 ALA HA 1 39 LYS HG3 . . 5.240 4.425 3.950 5.731 0.491 8 0 "[ . 1 . 2]" 1
539 1 38 ALA MB 1 39 LYS H . . 3.680 3.221 2.801 3.567 . 0 0 "[ . 1 . 2]" 1
540 1 38 ALA MB 1 40 LEU QD . . 4.450 2.994 2.439 3.641 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA MB 1 66 ASN HD21 . . 5.500 4.458 2.668 5.598 0.098 17 0 "[ . 1 . 2]" 1
542 1 38 ALA MB 1 66 ASN HD22 . . 5.400 4.188 2.701 5.384 . 0 0 "[ . 1 . 2]" 1
543 1 38 ALA MB 1 69 ALA HA . . 5.500 2.983 2.446 3.850 . 0 0 "[ . 1 . 2]" 1
544 1 38 ALA MB 1 69 ALA MB . . 3.650 2.288 1.859 3.748 0.098 19 0 "[ . 1 . 2]" 1
545 1 39 LYS H 1 39 LYS HD3 . . 5.090 4.841 4.348 5.161 0.071 19 0 "[ . 1 . 2]" 1
546 1 39 LYS H 1 39 LYS HG3 . . 3.470 2.539 2.070 3.582 0.112 14 0 "[ . 1 . 2]" 1
547 1 39 LYS HA 1 39 LYS HD3 . . 4.840 4.017 2.373 4.769 . 0 0 "[ . 1 . 2]" 1
548 1 39 LYS HA 1 39 LYS HG3 . . 3.840 3.199 2.769 3.706 . 0 0 "[ . 1 . 2]" 1
549 1 39 LYS HA 1 40 LEU H . . 3.030 2.219 2.076 2.352 . 0 0 "[ . 1 . 2]" 1
550 1 39 LYS HA 1 40 LEU QD . . 5.500 3.280 2.576 4.199 . 0 0 "[ . 1 . 2]" 1
551 1 39 LYS HA 1 47 TYR QD . . 5.230 4.514 3.455 5.293 0.063 12 0 "[ . 1 . 2]" 1
552 1 39 LYS HA 1 50 ASP HA . . 3.850 2.396 2.099 2.993 . 0 0 "[ . 1 . 2]" 1
553 1 39 LYS HD3 1 47 TYR QD . . 4.720 3.436 2.604 4.818 0.098 6 0 "[ . 1 . 2]" 1
554 1 39 LYS HG3 1 47 TYR QD . . 5.190 5.235 4.646 5.888 0.698 4 4 "[ +. 1 - .* * 2]" 1
555 1 39 LYS HG3 1 50 ASP H . . 5.500 6.414 5.573 7.146 1.646 4 16 "[** +* ***1**-******2]" 1
556 1 40 LEU H 1 40 LEU HB3 . . 4.120 3.634 3.508 3.722 . 0 0 "[ . 1 . 2]" 1
557 1 40 LEU H 1 40 LEU QD . . 4.240 2.388 1.975 3.283 . 0 0 "[ . 1 . 2]" 1
558 1 40 LEU H 1 40 LEU HG . . 3.980 3.621 2.388 4.063 0.083 1 0 "[ . 1 . 2]" 1
559 1 40 LEU H 1 41 TYR H . . 5.310 4.513 4.380 4.639 . 0 0 "[ . 1 . 2]" 1
560 1 40 LEU H 1 41 TYR QE . . 5.450 4.875 4.424 5.272 . 0 0 "[ . 1 . 2]" 1
561 1 40 LEU H 1 50 ASP HA . . 4.000 2.647 2.182 3.042 . 0 0 "[ . 1 . 2]" 1
562 1 40 LEU H 1 52 TYR HE2 . . 3.710 3.724 3.562 3.792 0.082 6 0 "[ . 1 . 2]" 1
563 1 40 LEU HA 1 40 LEU QD . . 3.160 2.409 2.182 2.954 . 0 0 "[ . 1 . 2]" 1
564 1 40 LEU HA 1 40 LEU HG . . 4.140 3.551 2.703 3.911 . 0 0 "[ . 1 . 2]" 1
565 1 40 LEU HA 1 41 TYR H . . 3.040 2.370 2.255 2.491 . 0 0 "[ . 1 . 2]" 1
566 1 40 LEU HA 1 41 TYR QD . . 3.400 2.745 2.543 3.061 . 0 0 "[ . 1 . 2]" 1
567 1 40 LEU HA 1 41 TYR QE . . 4.250 4.215 3.958 4.338 0.088 13 0 "[ . 1 . 2]" 1
568 1 40 LEU HA 1 65 THR HA . . 4.090 2.453 2.012 3.003 . 0 0 "[ . 1 . 2]" 1
569 1 40 LEU HA 1 66 ASN H . . 4.670 4.275 3.293 4.750 0.080 1 0 "[ . 1 . 2]" 1
570 1 40 LEU HB3 1 40 LEU QD . . 3.130 2.326 2.087 2.459 . 0 0 "[ . 1 . 2]" 1
571 1 40 LEU HB3 1 41 TYR H . . 3.890 2.536 2.209 2.971 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU HB3 1 63 CYS HB3 . . 5.020 3.807 2.985 4.609 . 0 0 "[ . 1 . 2]" 1
573 1 40 LEU HB3 1 64 CYS H . . 5.160 4.452 3.797 5.115 . 0 0 "[ . 1 . 2]" 1
574 1 40 LEU QD 1 41 TYR H . . 4.140 3.645 3.432 3.846 . 0 0 "[ . 1 . 2]" 1
575 1 40 LEU QD 1 41 TYR QD . . 5.500 4.416 4.173 4.819 . 0 0 "[ . 1 . 2]" 1
576 1 40 LEU QD 1 50 ASP H . . 5.500 3.873 3.580 4.134 . 0 0 "[ . 1 . 2]" 1
577 1 40 LEU QD 1 50 ASP HA . . 4.340 2.106 1.965 2.279 . 0 0 "[ . 1 . 2]" 1
578 1 40 LEU QD 1 51 SER H . . 4.170 3.081 2.899 3.357 . 0 0 "[ . 1 . 2]" 1
579 1 40 LEU QD 1 51 SER HA . . 3.510 2.669 2.207 3.132 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU QD 1 51 SER HB3 . . 5.250 4.479 3.415 4.990 . 0 0 "[ . 1 . 2]" 1
581 1 40 LEU QD 1 52 TYR H . . 3.900 3.659 3.399 3.949 0.049 11 0 "[ . 1 . 2]" 1
582 1 40 LEU QD 1 52 TYR QD . . 3.620 3.309 2.897 3.688 0.068 19 0 "[ . 1 . 2]" 1
583 1 40 LEU QD 1 52 TYR QE . . 4.850 2.745 2.253 3.203 . 0 0 "[ . 1 . 2]" 1
584 1 40 LEU QD 1 63 CYS HB3 . . 4.230 4.148 3.648 4.246 0.016 19 0 "[ . 1 . 2]" 1
585 1 40 LEU QD 1 64 CYS H . . 5.500 4.763 4.339 5.288 . 0 0 "[ . 1 . 2]" 1
586 1 40 LEU QD 1 65 THR HA . . 4.000 3.499 2.691 3.948 . 0 0 "[ . 1 . 2]" 1
587 1 40 LEU QD 1 65 THR MG . . 3.450 2.397 1.957 3.414 . 0 0 "[ . 1 . 2]" 1
588 1 40 LEU HG 1 51 SER H . . 5.500 5.489 5.053 5.579 0.079 10 0 "[ . 1 . 2]" 1
589 1 41 TYR H 1 41 TYR HB3 . . 4.100 3.741 3.672 3.829 . 0 0 "[ . 1 . 2]" 1
590 1 41 TYR H 1 41 TYR QD . . 2.960 2.780 2.569 2.946 . 0 0 "[ . 1 . 2]" 1
591 1 41 TYR H 1 41 TYR QE . . 5.150 4.966 4.782 5.101 . 0 0 "[ . 1 . 2]" 1
592 1 41 TYR H 1 42 ASN H . . 5.440 4.361 4.243 4.462 . 0 0 "[ . 1 . 2]" 1
593 1 41 TYR H 1 48 ILE MD . . 5.140 4.805 4.208 5.192 0.052 7 0 "[ . 1 . 2]" 1
594 1 41 TYR H 1 64 CYS H . . 3.480 3.033 2.654 3.547 0.067 12 0 "[ . 1 . 2]" 1
595 1 41 TYR H 1 65 THR HA . . 4.390 3.301 2.936 3.759 . 0 0 "[ . 1 . 2]" 1
596 1 41 TYR HA 1 41 TYR QD . . 3.320 3.178 3.042 3.254 . 0 0 "[ . 1 . 2]" 1
597 1 41 TYR HA 1 41 TYR QE . . 4.730 4.686 4.543 4.796 0.066 1 0 "[ . 1 . 2]" 1
598 1 41 TYR HA 1 42 ASN H . . 3.120 2.197 2.072 2.358 . 0 0 "[ . 1 . 2]" 1
599 1 41 TYR HA 1 46 GLU H . . 5.330 4.771 4.484 5.061 . 0 0 "[ . 1 . 2]" 1
600 1 41 TYR HA 1 47 TYR H . . 5.500 4.621 4.390 5.113 . 0 0 "[ . 1 . 2]" 1
601 1 41 TYR HA 1 47 TYR HA . . 3.740 2.287 1.940 3.102 . 0 0 "[ . 1 . 2]" 1
602 1 41 TYR HA 1 48 ILE H . . 4.010 3.015 2.648 3.464 . 0 0 "[ . 1 . 2]" 1
603 1 41 TYR HA 1 48 ILE MG . . 4.730 3.972 3.271 4.484 . 0 0 "[ . 1 . 2]" 1
604 1 41 TYR HB3 1 42 ASN H . . 3.960 2.720 2.403 3.044 . 0 0 "[ . 1 . 2]" 1
605 1 41 TYR HB3 1 45 GLY H . . 5.500 4.091 3.690 4.700 . 0 0 "[ . 1 . 2]" 1
606 1 41 TYR HB3 1 45 GLY HA2 . . 4.440 3.254 2.584 3.867 . 0 0 "[ . 1 . 2]" 1
607 1 41 TYR HB3 1 45 GLY HA3 . . 5.320 4.809 4.176 5.406 0.086 4 0 "[ . 1 . 2]" 1
608 1 41 TYR HB3 1 46 GLU H . . 5.260 3.841 3.683 3.927 . 0 0 "[ . 1 . 2]" 1
609 1 41 TYR HB3 1 47 TYR HA . . 5.480 3.856 3.537 4.267 . 0 0 "[ . 1 . 2]" 1
610 1 41 TYR HB3 1 64 CYS H . . 4.890 4.604 4.122 4.965 0.075 6 0 "[ . 1 . 2]" 1
611 1 41 TYR QD 1 42 ASN H . . 3.990 3.964 3.614 4.072 0.082 4 0 "[ . 1 . 2]" 1
612 1 41 TYR QD 1 45 GLY H . . 5.500 4.971 4.136 5.483 . 0 0 "[ . 1 . 2]" 1
613 1 41 TYR QD 1 45 GLY HA2 . . 4.070 3.706 2.874 4.143 0.073 8 0 "[ . 1 . 2]" 1
614 1 41 TYR QD 1 46 GLU H . . 5.310 3.847 3.209 4.317 . 0 0 "[ . 1 . 2]" 1
615 1 41 TYR QD 1 46 GLU HA . . 3.630 3.104 2.615 3.655 0.025 4 0 "[ . 1 . 2]" 1
616 1 41 TYR QD 1 47 TYR H . . 3.780 3.417 2.923 3.831 0.051 13 0 "[ . 1 . 2]" 1
617 1 41 TYR QD 1 64 CYS H . . 5.320 4.891 4.359 5.318 . 0 0 "[ . 1 . 2]" 1
618 1 41 TYR QD 1 65 THR HA . . 3.300 2.320 2.012 2.890 . 0 0 "[ . 1 . 2]" 1
619 1 41 TYR QD 1 65 THR MG . . 4.790 4.329 3.603 4.911 0.121 11 0 "[ . 1 . 2]" 1
620 1 41 TYR QD 1 66 ASN H . . 3.770 3.408 2.923 3.817 0.047 12 0 "[ . 1 . 2]" 1
621 1 41 TYR QE 1 47 TYR H . . 3.990 3.475 2.982 4.075 0.085 20 0 "[ . 1 . 2]" 1
622 1 41 TYR QE 1 47 TYR HA . . 4.210 3.802 3.277 4.143 . 0 0 "[ . 1 . 2]" 1
623 1 41 TYR QE 1 47 TYR HB3 . . 3.960 3.242 2.551 4.640 0.680 16 1 "[ . 1 .+ 2]" 1
624 1 41 TYR QE 1 65 THR HA . . 3.860 3.719 3.211 3.946 0.086 11 0 "[ . 1 . 2]" 1
625 1 41 TYR QE 1 66 ASN H . . 3.640 2.920 2.555 3.484 . 0 0 "[ . 1 . 2]" 1
626 1 41 TYR QE 1 66 ASN HB3 . . 3.120 2.401 2.040 2.898 . 0 0 "[ . 1 . 2]" 1
627 1 41 TYR QE 1 66 ASN HD21 . . 3.960 2.586 1.711 4.008 0.048 16 0 "[ . 1 . 2]" 1
628 1 41 TYR QE 1 66 ASN HD22 . . 5.500 3.993 3.299 5.446 . 0 0 "[ . 1 . 2]" 1
629 1 42 ASN H 1 42 ASN HB3 . . 3.480 2.761 2.467 3.289 . 0 0 "[ . 1 . 2]" 1
630 1 42 ASN H 1 48 ILE H . . 4.780 4.383 3.995 4.842 0.062 13 0 "[ . 1 . 2]" 1
631 1 42 ASN H 1 48 ILE MD . . 4.500 3.708 3.374 4.118 . 0 0 "[ . 1 . 2]" 1
632 1 42 ASN H 1 48 ILE MG . . 3.920 3.366 3.048 3.743 . 0 0 "[ . 1 . 2]" 1
633 1 42 ASN HA 1 43 ASP H . . 3.370 2.590 2.323 3.137 . 0 0 "[ . 1 . 2]" 1
634 1 42 ASN HA 1 44 LYS H . . 5.290 4.304 4.111 4.564 . 0 0 "[ . 1 . 2]" 1
635 1 42 ASN HA 1 48 ILE MD . . 4.590 3.009 2.483 3.409 . 0 0 "[ . 1 . 2]" 1
636 1 42 ASN HA 1 48 ILE MG . . 4.810 4.509 4.050 4.845 0.035 4 0 "[ . 1 . 2]" 1
637 1 42 ASN HA 1 64 CYS H . . 4.570 4.445 3.625 4.658 0.088 19 0 "[ . 1 . 2]" 1
638 1 42 ASN HB3 1 43 ASP H . . 3.600 3.634 3.335 3.682 0.082 9 0 "[ . 1 . 2]" 1
639 1 42 ASN HB3 1 48 ILE MD . . 3.840 2.216 2.042 2.666 . 0 0 "[ . 1 . 2]" 1
640 1 42 ASN HB3 1 48 ILE MG . . 3.420 2.514 2.220 2.773 . 0 0 "[ . 1 . 2]" 1
641 1 42 ASN HD21 1 43 ASP H . . 5.400 4.622 3.533 4.986 . 0 0 "[ . 1 . 2]" 1
642 1 42 ASN HD21 1 44 LYS HB3 . . 5.500 5.260 2.460 6.183 0.683 2 2 "[ + . -1 . 2]" 1
643 1 42 ASN HD21 1 46 GLU HB3 . . 5.080 3.861 3.080 5.087 0.007 19 0 "[ . 1 . 2]" 1
644 1 42 ASN HD21 1 48 ILE MD . . 5.500 4.163 3.739 5.136 . 0 0 "[ . 1 . 2]" 1
645 1 42 ASN HD21 1 48 ILE MG . . 4.200 2.743 2.065 4.281 0.081 20 0 "[ . 1 . 2]" 1
646 1 42 ASN HD22 1 44 LYS H . . 5.400 3.406 2.771 4.340 . 0 0 "[ . 1 . 2]" 1
647 1 42 ASN HD22 1 44 LYS HB3 . . 4.850 3.917 2.954 4.745 . 0 0 "[ . 1 . 2]" 1
648 1 42 ASN HD22 1 46 GLU HA . . 5.500 4.513 3.979 5.161 . 0 0 "[ . 1 . 2]" 1
649 1 42 ASN HD22 1 46 GLU HB3 . . 3.670 3.292 1.906 3.755 0.085 12 0 "[ . 1 . 2]" 1
650 1 42 ASN HD22 1 48 ILE MG . . 4.860 3.434 2.861 4.282 . 0 0 "[ . 1 . 2]" 1
651 1 43 ASP H 1 44 LYS H . . 3.520 2.747 2.192 3.068 . 0 0 "[ . 1 . 2]" 1
652 1 43 ASP H 1 44 LYS HB3 . . 5.090 6.138 4.396 6.542 1.452 20 18 "[** *-************* +]" 1
653 1 43 ASP H 1 45 GLY H . . 5.500 4.235 3.928 4.473 . 0 0 "[ . 1 . 2]" 1
654 1 43 ASP H 1 48 ILE MD . . 5.500 4.697 4.406 5.107 . 0 0 "[ . 1 . 2]" 1
655 1 43 ASP H 1 48 ILE MG . . 5.500 5.497 5.257 5.603 0.103 19 0 "[ . 1 . 2]" 1
656 1 43 ASP HA 1 43 ASP HB3 . . 2.880 2.849 2.447 2.992 0.112 6 0 "[ . 1 . 2]" 1
657 1 43 ASP HA 1 45 GLY H . . 4.280 3.512 3.038 3.847 . 0 0 "[ . 1 . 2]" 1
658 1 43 ASP HB3 1 44 LYS H . . 5.180 3.835 3.165 4.439 . 0 0 "[ . 1 . 2]" 1
659 1 44 LYS H 1 44 LYS HB3 . . 3.260 3.589 1.995 3.795 0.535 15 1 "[ . 1 + 2]" 1
660 1 44 LYS H 1 44 LYS HG3 . . 3.980 3.559 2.985 4.169 0.189 19 0 "[ . 1 . 2]" 1
661 1 44 LYS H 1 45 GLY H . . 3.140 2.212 1.921 2.442 . 0 0 "[ . 1 . 2]" 1
662 1 44 LYS H 1 45 GLY HA2 . . 4.390 4.427 4.242 4.477 0.087 7 0 "[ . 1 . 2]" 1
663 1 44 LYS H 1 46 GLU H . . 4.060 3.412 3.078 3.863 . 0 0 "[ . 1 . 2]" 1
664 1 44 LYS HA 1 44 LYS HG3 . . 3.680 3.654 2.629 3.767 0.087 11 0 "[ . 1 . 2]" 1
665 1 44 LYS HA 1 45 GLY HA2 . . 5.150 5.051 4.676 5.212 0.062 20 0 "[ . 1 . 2]" 1
666 1 44 LYS HB3 1 45 GLY H . . 4.610 4.157 2.895 4.467 . 0 0 "[ . 1 . 2]" 1
667 1 44 LYS HB3 1 46 GLU H . . 4.030 4.131 2.881 4.651 0.621 9 3 "[ *. +1 -. 2]" 1
668 1 44 LYS HE3 1 44 LYS HG3 . . 3.910 2.617 2.106 3.758 . 0 0 "[ . 1 . 2]" 1
669 1 45 GLY H 1 46 GLU H . . 3.470 2.498 2.198 2.784 . 0 0 "[ . 1 . 2]" 1
670 1 46 GLU H 1 47 TYR H . . 4.900 4.516 4.326 4.627 . 0 0 "[ . 1 . 2]" 1
671 1 46 GLU H 1 48 ILE MG . . 5.500 4.606 4.080 5.167 . 0 0 "[ . 1 . 2]" 1
672 1 46 GLU HA 1 47 TYR H . . 2.850 2.274 2.049 2.477 . 0 0 "[ . 1 . 2]" 1
673 1 46 GLU HB3 1 47 TYR H . . 3.840 3.134 2.377 4.330 0.490 11 0 "[ . 1 . 2]" 1
674 1 46 GLU HB3 1 48 ILE MG . . 5.000 4.024 3.352 4.751 . 0 0 "[ . 1 . 2]" 1
675 1 47 TYR H 1 47 TYR HB3 . . 3.540 2.391 2.056 3.245 . 0 0 "[ . 1 . 2]" 1
676 1 47 TYR H 1 47 TYR QD . . 3.960 2.927 1.883 4.063 0.103 15 0 "[ . 1 . 2]" 1
677 1 47 TYR H 1 48 ILE MG . . 5.500 4.464 4.042 4.959 . 0 0 "[ . 1 . 2]" 1
678 1 47 TYR HA 1 47 TYR QD . . 4.090 3.340 2.365 3.729 . 0 0 "[ . 1 . 2]" 1
679 1 47 TYR HA 1 48 ILE H . . 3.070 2.288 2.156 2.426 . 0 0 "[ . 1 . 2]" 1
680 1 47 TYR HA 1 48 ILE MG . . 4.830 3.954 3.531 4.386 . 0 0 "[ . 1 . 2]" 1
681 1 47 TYR HA 1 49 GLY H . . 4.330 3.964 3.552 4.394 0.064 11 0 "[ . 1 . 2]" 1
682 1 47 TYR HB3 1 48 ILE H . . 4.960 4.211 3.717 4.420 . 0 0 "[ . 1 . 2]" 1
683 1 47 TYR QD 1 48 ILE H . . 3.140 3.142 2.982 3.230 0.090 2 0 "[ . 1 . 2]" 1
684 1 47 TYR QD 1 49 GLY H . . 3.190 2.655 1.866 3.246 0.056 12 0 "[ . 1 . 2]" 1
685 1 47 TYR QE 1 48 ILE H . . 5.100 4.910 4.324 5.187 0.087 13 0 "[ . 1 . 2]" 1
686 1 48 ILE H 1 48 ILE MD . . 4.380 4.097 3.932 4.236 . 0 0 "[ . 1 . 2]" 1
687 1 48 ILE H 1 48 ILE MG . . 3.900 3.359 3.148 3.562 . 0 0 "[ . 1 . 2]" 1
688 1 48 ILE H 1 49 GLY H . . 3.410 2.109 1.852 2.577 . 0 0 "[ . 1 . 2]" 1
689 1 48 ILE H 1 52 TYR HE2 . . 5.360 3.830 3.247 4.230 . 0 0 "[ . 1 . 2]" 1
690 1 48 ILE HA 1 48 ILE MD . . 4.560 4.147 4.066 4.199 . 0 0 "[ . 1 . 2]" 1
691 1 48 ILE HA 1 48 ILE MG . . 3.170 2.211 2.124 2.275 . 0 0 "[ . 1 . 2]" 1
692 1 48 ILE HB 1 48 ILE MD . . 3.370 2.262 2.133 2.321 . 0 0 "[ . 1 . 2]" 1
693 1 48 ILE HB 1 49 GLY H . . 4.610 4.340 3.988 4.486 . 0 0 "[ . 1 . 2]" 1
694 1 48 ILE HB 1 52 TYR QD . . 4.720 4.562 4.161 4.800 0.080 12 0 "[ . 1 . 2]" 1
695 1 48 ILE HB 1 52 TYR QE . . 3.950 4.004 3.721 4.051 0.101 7 0 "[ . 1 . 2]" 1
696 1 48 ILE HB 1 52 TYR HE2 . . 5.020 4.074 3.778 4.178 . 0 0 "[ . 1 . 2]" 1
697 1 48 ILE MD 1 48 ILE MG . . 3.390 2.132 2.039 2.197 . 0 0 "[ . 1 . 2]" 1
698 1 48 ILE MD 1 52 TYR HB3 . . 4.970 4.889 4.178 5.058 0.088 11 0 "[ . 1 . 2]" 1
699 1 48 ILE MD 1 52 TYR QD . . 3.970 3.669 3.293 3.839 . 0 0 "[ . 1 . 2]" 1
700 1 48 ILE MD 1 52 TYR HE1 . . 4.820 3.172 2.680 3.527 . 0 0 "[ . 1 . 2]" 1
701 1 48 ILE MD 1 52 TYR QE . . 3.600 2.799 2.606 2.910 . 0 0 "[ . 1 . 2]" 1
702 1 48 ILE MG 1 49 GLY H . . 5.470 4.489 4.384 4.569 . 0 0 "[ . 1 . 2]" 1
703 1 49 GLY H 1 51 SER H . . 5.500 5.320 4.759 5.582 0.082 11 0 "[ . 1 . 2]" 1
704 1 49 GLY H 1 52 TYR HE2 . . 5.140 3.671 2.977 4.593 . 0 0 "[ . 1 . 2]" 1
705 1 49 GLY HA2 1 50 ASP H . . 3.220 2.564 2.303 2.813 . 0 0 "[ . 1 . 2]" 1
706 1 49 GLY HA2 1 51 SER H . . 4.450 4.084 3.839 4.268 . 0 0 "[ . 1 . 2]" 1
707 1 49 GLY HA3 1 50 ASP H . . 3.390 2.594 2.355 2.877 . 0 0 "[ . 1 . 2]" 1
708 1 49 GLY HA3 1 51 SER H . . 4.240 3.087 2.833 3.332 . 0 0 "[ . 1 . 2]" 1
709 1 49 GLY HA3 1 52 TYR HE2 . . 4.900 3.589 3.011 4.114 . 0 0 "[ . 1 . 2]" 1
710 1 50 ASP H 1 51 SER H . . 2.960 2.141 1.789 2.498 . 0 0 "[ . 1 . 2]" 1
711 1 50 ASP H 1 52 TYR HE2 . . 5.100 5.020 4.286 5.175 0.075 13 0 "[ . 1 . 2]" 1
712 1 50 ASP HA 1 52 TYR HE2 . . 4.980 4.649 3.911 5.048 0.068 18 0 "[ . 1 . 2]" 1
713 1 51 SER H 1 52 TYR H . . 4.970 4.083 3.854 4.238 . 0 0 "[ . 1 . 2]" 1
714 1 51 SER H 1 52 TYR HA . . 5.360 4.979 4.805 5.112 . 0 0 "[ . 1 . 2]" 1
715 1 51 SER HA 1 52 TYR H . . 2.860 2.290 2.108 2.437 . 0 0 "[ . 1 . 2]" 1
716 1 51 SER HA 1 52 TYR HB3 . . 5.220 4.940 4.682 5.093 . 0 0 "[ . 1 . 2]" 1
717 1 51 SER HB3 1 52 TYR QD . . 5.280 5.431 4.919 5.763 0.483 4 0 "[ . 1 . 2]" 1
718 1 52 TYR H 1 52 TYR HB3 . . 3.940 3.720 3.581 3.808 . 0 0 "[ . 1 . 2]" 1
719 1 52 TYR H 1 52 TYR QD . . 4.000 3.539 3.333 3.721 . 0 0 "[ . 1 . 2]" 1
720 1 52 TYR H 1 53 SER H . . 4.820 4.311 4.256 4.381 . 0 0 "[ . 1 . 2]" 1
721 1 52 TYR HA 1 53 SER H . . 2.750 2.622 2.494 2.700 . 0 0 "[ . 1 . 2]" 1
722 1 52 TYR HB3 1 53 SER H . . 4.700 3.469 3.322 3.607 . 0 0 "[ . 1 . 2]" 1
723 1 52 TYR QD 1 53 SER H . . 3.460 3.102 2.967 3.186 . 0 0 "[ . 1 . 2]" 1
724 1 52 TYR QD 1 53 SER HA . . 3.720 3.106 2.840 3.298 . 0 0 "[ . 1 . 2]" 1
725 1 52 TYR QD 1 54 ALA H . . 5.500 3.732 2.868 4.134 . 0 0 "[ . 1 . 2]" 1
726 1 52 TYR QD 1 54 ALA MB . . 3.390 3.032 2.821 3.276 . 0 0 "[ . 1 . 2]" 1
727 1 52 TYR QE 1 54 ALA MB . . 2.880 2.954 2.677 2.998 0.118 14 0 "[ . 1 . 2]" 1
728 1 52 TYR HE1 1 53 SER H . . 5.500 5.552 5.430 5.587 0.087 2 0 "[ . 1 . 2]" 1
729 1 52 TYR HE1 1 54 ALA H . . 5.500 4.822 3.925 5.277 . 0 0 "[ . 1 . 2]" 1
730 1 53 SER H 1 54 ALA MB . . 5.110 4.751 4.461 5.019 . 0 0 "[ . 1 . 2]" 1
731 1 53 SER HA 1 54 ALA H . . 2.650 2.305 2.082 2.400 . 0 0 "[ . 1 . 2]" 1
732 1 53 SER HA 1 54 ALA HA . . 4.440 4.496 4.392 4.513 0.073 12 0 "[ . 1 . 2]" 1
733 1 53 SER HA 1 54 ALA MB . . 4.430 3.975 3.782 4.173 . 0 0 "[ . 1 . 2]" 1
734 1 54 ALA H 1 54 ALA MB . . 2.780 2.608 2.346 2.827 0.047 14 0 "[ . 1 . 2]" 1
735 1 54 ALA HA 1 55 GLN H . . 2.600 2.277 2.127 2.584 . 0 0 "[ . 1 . 2]" 1
736 1 54 ALA HA 1 55 GLN HB3 . . 4.590 4.654 4.415 4.845 0.255 9 0 "[ . 1 . 2]" 1
737 1 54 ALA MB 1 55 GLN H . . 3.330 2.936 2.364 3.418 0.088 5 0 "[ . 1 . 2]" 1
738 1 55 GLN H 1 55 GLN HB3 . . 3.260 2.526 2.331 2.732 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLN H 1 55 GLN HG3 . . 4.520 4.504 4.335 4.594 0.074 11 0 "[ . 1 . 2]" 1
740 1 55 GLN H 1 56 ILE H . . 4.600 4.529 4.335 4.691 0.091 19 0 "[ . 1 . 2]" 1
741 1 55 GLN HA 1 55 GLN HG3 . . 3.950 2.626 2.410 2.928 . 0 0 "[ . 1 . 2]" 1
742 1 55 GLN HA 1 56 ILE H . . 2.900 2.212 2.084 2.446 . 0 0 "[ . 1 . 2]" 1
743 1 55 GLN HA 1 56 ILE HG13 . . 4.950 5.260 5.252 5.278 0.328 18 0 "[ . 1 . 2]" 1
744 1 55 GLN HB3 1 55 GLN HE21 . . 4.530 3.938 3.159 4.558 0.028 2 0 "[ . 1 . 2]" 1
745 1 55 GLN HE21 1 55 GLN HG3 . . 3.510 2.820 2.134 3.449 . 0 0 "[ . 1 . 2]" 1
746 1 55 GLN HE21 1 56 ILE H . . 5.500 4.930 3.821 5.562 0.062 19 0 "[ . 1 . 2]" 1
747 1 55 GLN HG3 1 56 ILE H . . 3.890 3.326 2.920 3.943 0.053 18 0 "[ . 1 . 2]" 1
748 1 56 ILE H 1 56 ILE HB . . 3.320 2.692 2.505 2.805 . 0 0 "[ . 1 . 2]" 1
749 1 56 ILE H 1 56 ILE MD . . 4.060 3.280 2.972 3.756 . 0 0 "[ . 1 . 2]" 1
750 1 56 ILE H 1 56 ILE HG13 . . 3.610 3.564 3.384 3.681 0.071 16 0 "[ . 1 . 2]" 1
751 1 56 ILE HA 1 56 ILE MD . . 3.460 2.316 2.139 2.473 . 0 0 "[ . 1 . 2]" 1
752 1 56 ILE HA 1 56 ILE MG . . 3.320 2.332 2.247 2.451 . 0 0 "[ . 1 . 2]" 1
753 1 56 ILE HA 1 57 ARG H . . 2.850 2.232 2.137 2.426 . 0 0 "[ . 1 . 2]" 1
754 1 56 ILE HA 1 58 THR H . . 3.850 3.406 2.932 3.807 . 0 0 "[ . 1 . 2]" 1
755 1 56 ILE HA 1 61 MET ME . . 5.410 4.337 3.661 5.488 0.078 19 0 "[ . 1 . 2]" 1
756 1 56 ILE HB 1 56 ILE MD . . 3.590 3.267 3.231 3.314 . 0 0 "[ . 1 . 2]" 1
757 1 56 ILE HB 1 57 ARG H . . 5.050 4.366 4.019 4.599 . 0 0 "[ . 1 . 2]" 1
758 1 56 ILE HB 1 58 THR H . . 4.730 4.427 3.962 4.806 0.076 17 0 "[ . 1 . 2]" 1
759 1 56 ILE MD 1 56 ILE MG . . 2.990 2.089 2.016 2.169 . 0 0 "[ . 1 . 2]" 1
760 1 56 ILE MD 1 57 ARG H . . 5.240 4.188 3.958 4.371 . 0 0 "[ . 1 . 2]" 1
761 1 56 ILE MD 1 58 THR H . . 5.070 4.750 4.268 5.112 0.042 11 0 "[ . 1 . 2]" 1
762 1 56 ILE MD 1 61 MET HG3 . . 4.070 2.468 2.036 3.412 . 0 0 "[ . 1 . 2]" 1
763 1 56 ILE MG 1 57 ARG H . . 4.570 3.387 2.746 3.970 . 0 0 "[ . 1 . 2]" 1
764 1 56 ILE MG 1 58 THR H . . 3.280 2.508 2.119 2.920 . 0 0 "[ . 1 . 2]" 1
765 1 56 ILE MG 1 58 THR HA . . 5.300 4.801 4.438 5.156 . 0 0 "[ . 1 . 2]" 1
766 1 56 ILE MG 1 61 MET H . . 4.450 4.444 4.084 4.553 0.103 13 0 "[ . 1 . 2]" 1
767 1 56 ILE MG 1 61 MET HG3 . . 4.350 3.156 2.284 4.982 0.632 19 1 "[ . 1 . +2]" 1
768 1 57 ARG H 1 57 ARG HB3 . . 3.850 3.700 3.233 3.912 0.062 6 0 "[ . 1 . 2]" 1
769 1 57 ARG H 1 58 THR H . . 2.990 2.561 1.938 3.051 0.061 19 0 "[ . 1 . 2]" 1
770 1 57 ARG H 1 58 THR HA . . 5.440 4.729 4.268 5.193 . 0 0 "[ . 1 . 2]" 1
771 1 57 ARG H 1 58 THR MG . . 4.330 3.362 2.848 3.790 . 0 0 "[ . 1 . 2]" 1
772 1 57 ARG HA 1 58 THR H . . 3.520 2.888 2.674 3.211 . 0 0 "[ . 1 . 2]" 1
773 1 57 ARG HB3 1 58 THR H . . 4.620 4.476 4.358 4.686 0.066 15 0 "[ . 1 . 2]" 1
774 1 57 ARG HB3 1 58 THR MG . . 4.560 4.284 3.539 4.677 0.117 19 0 "[ . 1 . 2]" 1
775 1 58 THR H 1 58 THR HB . . 4.210 3.717 3.495 3.876 . 0 0 "[ . 1 . 2]" 1
776 1 58 THR H 1 58 THR MG . . 3.400 3.233 2.908 3.492 0.092 3 0 "[ . 1 . 2]" 1
777 1 58 THR H 1 59 ALA H . . 4.840 4.389 4.257 4.510 . 0 0 "[ . 1 . 2]" 1
778 1 58 THR HA 1 58 THR MG . . 2.640 2.271 2.190 2.393 . 0 0 "[ . 1 . 2]" 1
779 1 58 THR HA 1 59 ALA H . . 2.720 2.416 2.200 2.606 . 0 0 "[ . 1 . 2]" 1
780 1 58 THR HA 1 59 ALA MB . . 4.990 4.158 4.000 4.314 . 0 0 "[ . 1 . 2]" 1
781 1 58 THR HB 1 59 ALA H . . 3.450 2.746 2.288 3.486 0.036 19 0 "[ . 1 . 2]" 1
782 1 58 THR HB 1 60 THR H . . 3.330 2.581 2.127 2.738 . 0 0 "[ . 1 . 2]" 1
783 1 58 THR MG 1 59 ALA H . . 3.960 3.610 3.335 4.031 0.071 19 0 "[ . 1 . 2]" 1
784 1 58 THR MG 1 60 THR H . . 4.180 4.178 3.759 4.291 0.111 19 0 "[ . 1 . 2]" 1
785 1 58 THR MG 1 61 MET HG3 . . 5.500 4.754 3.679 5.786 0.286 19 0 "[ . 1 . 2]" 1
786 1 59 ALA H 1 59 ALA MB . . 3.050 2.219 2.172 2.298 . 0 0 "[ . 1 . 2]" 1
787 1 59 ALA H 1 60 THR H . . 3.200 2.685 2.361 2.902 . 0 0 "[ . 1 . 2]" 1
788 1 59 ALA MB 1 60 THR H . . 3.310 2.737 2.383 3.392 0.082 8 0 "[ . 1 . 2]" 1
789 1 59 ALA MB 1 60 THR HA . . 4.670 4.323 4.120 4.716 0.046 8 0 "[ . 1 . 2]" 1
790 1 59 ALA MB 1 60 THR MG . . 3.430 2.840 2.398 3.537 0.107 8 0 "[ . 1 . 2]" 1
791 1 60 THR H 1 60 THR HB . . 3.730 3.759 3.548 3.808 0.078 15 0 "[ . 1 . 2]" 1
792 1 60 THR H 1 60 THR MG . . 3.570 3.105 2.553 3.435 . 0 0 "[ . 1 . 2]" 1
793 1 60 THR H 1 61 MET H . . 4.700 4.295 4.104 4.451 . 0 0 "[ . 1 . 2]" 1
794 1 60 THR HA 1 60 THR MG . . 3.250 2.493 2.145 3.276 0.026 20 0 "[ . 1 . 2]" 1
795 1 60 THR HA 1 61 MET H . . 2.760 2.270 2.029 2.471 . 0 0 "[ . 1 . 2]" 1
796 1 60 THR HB 1 61 MET H . . 3.660 3.086 2.612 3.682 0.022 20 0 "[ . 1 . 2]" 1
797 1 60 THR MG 1 61 MET H . . 3.700 3.759 3.369 3.812 0.112 14 0 "[ . 1 . 2]" 1
798 1 61 MET H 1 61 MET HG3 . . 4.560 4.693 4.453 4.751 0.191 15 0 "[ . 1 . 2]" 1
799 1 61 MET H 1 62 SER H . . 4.760 4.365 4.306 4.486 . 0 0 "[ . 1 . 2]" 1
800 1 61 MET HA 1 61 MET HG3 . . 3.640 3.494 3.172 3.601 . 0 0 "[ . 1 . 2]" 1
801 1 61 MET HA 1 62 SER H . . 2.790 2.398 2.286 2.520 . 0 0 "[ . 1 . 2]" 1
802 1 61 MET HB3 1 61 MET ME . . 3.330 2.206 2.054 3.456 0.126 19 0 "[ . 1 . 2]" 1
803 1 61 MET HB3 1 62 SER H . . 3.750 2.776 2.412 3.600 . 0 0 "[ . 1 . 2]" 1
804 1 61 MET ME 1 62 SER H . . 3.920 2.744 1.592 3.533 . 0 0 "[ . 1 . 2]" 1
805 1 61 MET ME 1 62 SER HA . . 4.310 3.686 3.160 4.163 . 0 0 "[ . 1 . 2]" 1
806 1 61 MET ME 1 63 CYS H . . 4.490 4.387 3.906 4.586 0.096 12 0 "[ . 1 . 2]" 1
807 1 61 MET HG3 1 62 SER H . . 3.910 3.960 2.441 4.053 0.143 1 0 "[ . 1 . 2]" 1
808 1 62 SER H 1 62 SER HB3 . . 3.600 3.662 3.412 4.069 0.469 9 0 "[ . 1 . 2]" 1
809 1 62 SER H 1 63 CYS H . . 5.000 4.258 4.098 4.335 . 0 0 "[ . 1 . 2]" 1
810 1 62 SER HA 1 63 CYS H . . 2.830 2.368 2.269 2.456 . 0 0 "[ . 1 . 2]" 1
811 1 63 CYS H 1 64 CYS H . . 4.540 4.326 4.241 4.462 . 0 0 "[ . 1 . 2]" 1
812 1 63 CYS HA 1 64 CYS H . . 2.800 2.411 2.300 2.505 . 0 0 "[ . 1 . 2]" 1
813 1 63 CYS HA 1 72 MET ME . . 4.230 3.980 3.782 4.292 0.062 7 0 "[ . 1 . 2]" 1
814 1 63 CYS HB3 1 64 CYS H . . 3.690 2.745 2.409 3.022 . 0 0 "[ . 1 . 2]" 1
815 1 63 CYS HB3 1 72 MET ME . . 3.930 2.572 2.110 3.128 . 0 0 "[ . 1 . 2]" 1
816 1 64 CYS H 1 72 MET ME . . 4.080 3.249 2.953 3.617 . 0 0 "[ . 1 . 2]" 1
817 1 64 CYS HA 1 65 THR H . . 3.070 2.609 2.459 2.795 . 0 0 "[ . 1 . 2]" 1
818 1 64 CYS HA 1 65 THR MG . . 4.450 3.147 2.652 3.570 . 0 0 "[ . 1 . 2]" 1
819 1 64 CYS HA 1 72 MET ME . . 3.160 2.562 2.243 2.913 . 0 0 "[ . 1 . 2]" 1
820 1 64 CYS HB3 1 65 THR H . . 3.820 3.500 3.306 3.638 . 0 0 "[ . 1 . 2]" 1
821 1 64 CYS HB3 1 65 THR MG . . 4.910 4.927 4.475 5.012 0.102 20 0 "[ . 1 . 2]" 1
822 1 65 THR H 1 65 THR MG . . 3.420 2.612 2.215 3.057 . 0 0 "[ . 1 . 2]" 1
823 1 65 THR H 1 66 ASN H . . 4.720 4.375 4.188 4.504 . 0 0 "[ . 1 . 2]" 1
824 1 65 THR H 1 72 MET ME . . 4.710 4.129 3.675 4.651 . 0 0 "[ . 1 . 2]" 1
825 1 65 THR HA 1 65 THR MG . . 3.410 2.561 2.190 3.246 . 0 0 "[ . 1 . 2]" 1
826 1 65 THR HA 1 66 ASN H . . 3.300 2.573 2.340 2.767 . 0 0 "[ . 1 . 2]" 1
827 1 65 THR HA 1 72 MET ME . . 5.100 4.322 3.752 4.945 . 0 0 "[ . 1 . 2]" 1
828 1 65 THR HB 1 66 ASN H . . 3.510 2.567 2.072 3.579 0.069 6 0 "[ . 1 . 2]" 1
829 1 65 THR HB 1 66 ASN HD22 . . 5.500 5.263 3.963 6.159 0.659 8 1 "[ . + 1 . 2]" 1
830 1 65 THR HB 1 69 ALA MB . . 3.550 3.196 2.475 3.671 0.121 8 0 "[ . 1 . 2]" 1
831 1 65 THR MG 1 66 ASN H . . 4.140 3.714 3.138 4.152 0.012 8 0 "[ . 1 . 2]" 1
832 1 65 THR MG 1 69 ALA MB . . 3.390 2.897 2.040 3.466 0.076 9 0 "[ . 1 . 2]" 1
833 1 65 THR MG 1 72 MET ME . . 3.240 2.621 2.086 3.358 0.118 14 0 "[ . 1 . 2]" 1
834 1 65 THR MG 1 72 MET HG3 . . 4.530 2.869 2.195 3.679 . 0 0 "[ . 1 . 2]" 1
835 1 66 ASN H 1 66 ASN HB3 . . 4.160 2.955 2.525 3.125 . 0 0 "[ . 1 . 2]" 1
836 1 66 ASN H 1 66 ASN HD21 . . 5.500 2.605 1.877 4.421 . 0 0 "[ . 1 . 2]" 1
837 1 66 ASN H 1 66 ASN HD22 . . 5.500 3.652 3.121 4.256 . 0 0 "[ . 1 . 2]" 1
838 1 66 ASN H 1 67 GLY H . . 4.840 4.432 4.163 4.614 . 0 0 "[ . 1 . 2]" 1
839 1 66 ASN H 1 69 ALA MB . . 4.480 4.324 3.637 4.569 0.089 19 0 "[ . 1 . 2]" 1
840 1 66 ASN HA 1 67 GLY H . . 3.490 2.618 2.163 3.019 . 0 0 "[ . 1 . 2]" 1
841 1 66 ASN HA 1 67 GLY HA3 . . 4.920 4.596 4.323 4.824 . 0 0 "[ . 1 . 2]" 1
842 1 66 ASN HB3 1 67 GLY H . . 3.680 3.688 3.547 3.769 0.089 16 0 "[ . 1 . 2]" 1
843 1 66 ASN HD21 1 67 GLY H . . 5.140 4.902 4.143 5.210 0.070 11 0 "[ . 1 . 2]" 1
844 1 66 ASN HD22 1 67 GLY H . . 5.500 5.082 4.116 5.561 0.061 11 0 "[ . 1 . 2]" 1
845 1 69 ALA H 1 69 ALA MB . . 3.300 2.732 2.158 3.009 . 0 0 "[ . 1 . 2]" 1
846 1 69 ALA HA 1 70 PHE H . . 3.120 2.364 2.264 2.503 . 0 0 "[ . 1 . 2]" 1
847 1 69 ALA HA 1 70 PHE QD . . 4.110 4.096 3.392 4.212 0.102 2 0 "[ . 1 . 2]" 1
848 1 69 ALA HA 1 71 PHE H . . 4.240 3.964 3.763 4.197 . 0 0 "[ . 1 . 2]" 1
849 1 69 ALA MB 1 70 PHE H . . 3.430 2.414 2.166 2.895 . 0 0 "[ . 1 . 2]" 1
850 1 69 ALA MB 1 71 PHE H . . 3.950 2.589 2.307 2.902 . 0 0 "[ . 1 . 2]" 1
851 1 70 PHE H 1 70 PHE HB3 . . 3.060 3.714 3.569 3.837 0.777 19 20 [****-*************+*] 1
852 1 70 PHE H 1 70 PHE QD . . 3.600 3.409 2.752 3.648 0.048 12 0 "[ . 1 . 2]" 1
853 1 70 PHE H 1 71 PHE H . . 3.140 1.983 1.849 2.323 . 0 0 "[ . 1 . 2]" 1
854 1 70 PHE HA 1 70 PHE QD . . 2.760 2.435 2.073 2.834 0.074 5 0 "[ . 1 . 2]" 1
855 1 70 PHE HB3 1 71 PHE H . . 4.060 4.100 3.732 4.279 0.219 1 0 "[ . 1 . 2]" 1
856 1 71 PHE H 1 72 MET H . . 5.190 4.268 4.164 4.338 . 0 0 "[ . 1 . 2]" 1
857 1 71 PHE HA 1 71 PHE QD . . 4.020 3.782 3.736 3.834 . 0 0 "[ . 1 . 2]" 1
858 1 71 PHE HA 1 72 MET H . . 3.210 2.509 2.403 2.640 . 0 0 "[ . 1 . 2]" 1
859 1 71 PHE HA 1 123 THR H . . 5.180 4.522 3.984 5.157 . 0 0 "[ . 1 . 2]" 1
860 1 71 PHE HA 1 123 THR MG . . 5.300 5.158 4.049 5.398 0.098 3 0 "[ . 1 . 2]" 1
861 1 71 PHE HB3 1 72 MET H . . 3.890 3.800 3.585 3.912 0.022 8 0 "[ . 1 . 2]" 1
862 1 71 PHE HB3 1 123 THR H . . 4.770 5.187 4.169 6.024 1.254 7 9 "[ * **+ *1 - * * *2]" 1
863 1 71 PHE HB3 1 124 LYS H . . 4.340 4.609 3.707 5.080 0.740 4 5 "[ - +. ** 1 .* 2]" 1
864 1 71 PHE HB3 1 124 LYS HA . . 4.750 4.880 4.173 5.239 0.489 9 0 "[ . 1 . 2]" 1
865 1 71 PHE HB3 1 124 LYS HB3 . . 5.070 2.383 2.116 2.821 . 0 0 "[ . 1 . 2]" 1
866 1 71 PHE QD 1 72 MET H . . 4.190 2.900 2.665 3.081 . 0 0 "[ . 1 . 2]" 1
867 1 71 PHE QD 1 73 THR H . . 4.350 3.861 3.317 4.220 . 0 0 "[ . 1 . 2]" 1
868 1 71 PHE QD 1 73 THR MG . . 4.000 3.524 2.483 3.932 . 0 0 "[ . 1 . 2]" 1
869 1 71 PHE QD 1 124 LYS HB3 . . 4.880 4.141 3.880 4.337 . 0 0 "[ . 1 . 2]" 1
870 1 71 PHE QE 1 72 MET HA . . 4.660 4.275 3.952 4.630 . 0 0 "[ . 1 . 2]" 1
871 1 71 PHE QE 1 73 THR HB . . 4.290 3.010 2.366 4.384 0.094 2 0 "[ . 1 . 2]" 1
872 1 71 PHE QE 1 73 THR MG . . 3.660 2.518 1.957 3.233 . 0 0 "[ . 1 . 2]" 1
873 1 72 MET H 1 72 MET HG3 . . 4.960 4.766 4.652 4.912 . 0 0 "[ . 1 . 2]" 1
874 1 72 MET H 1 123 THR H . . 3.860 2.854 2.517 3.721 . 0 0 "[ . 1 . 2]" 1
875 1 72 MET H 1 123 THR MG . . 4.520 4.078 2.640 4.596 0.076 15 0 "[ . 1 . 2]" 1
876 1 72 MET H 1 124 LYS H . . 4.890 4.399 3.414 4.961 0.071 18 0 "[ . 1 . 2]" 1
877 1 72 MET HA 1 72 MET HG3 . . 4.150 2.591 2.390 2.881 . 0 0 "[ . 1 . 2]" 1
878 1 72 MET HA 1 73 THR H . . 3.000 2.402 2.217 2.503 . 0 0 "[ . 1 . 2]" 1
879 1 72 MET HA 1 73 THR MG . . 4.620 3.809 3.344 4.076 . 0 0 "[ . 1 . 2]" 1
880 1 72 MET HG3 1 73 THR H . . 4.140 3.323 2.900 3.920 . 0 0 "[ . 1 . 2]" 1
881 1 73 THR H 1 73 THR HB . . 3.610 3.243 2.898 3.678 0.068 2 0 "[ . 1 . 2]" 1
882 1 73 THR H 1 73 THR MG . . 3.760 2.355 2.157 2.571 . 0 0 "[ . 1 . 2]" 1
883 1 73 THR HA 1 73 THR MG . . 3.400 3.218 2.418 3.271 . 0 0 "[ . 1 . 2]" 1
884 1 73 THR HA 1 74 CYS H . . 2.830 2.304 2.164 2.487 . 0 0 "[ . 1 . 2]" 1
885 1 73 THR HA 1 122 SER H . . 5.170 4.733 4.349 5.032 . 0 0 "[ . 1 . 2]" 1
886 1 73 THR HA 1 122 SER HA . . 3.150 2.194 1.960 2.398 . 0 0 "[ . 1 . 2]" 1
887 1 73 THR HA 1 122 SER HB3 . . 4.830 3.769 2.766 5.008 0.178 11 0 "[ . 1 . 2]" 1
888 1 73 THR HA 1 123 THR H . . 4.260 3.715 3.142 4.321 0.061 18 0 "[ . 1 . 2]" 1
889 1 73 THR HB 1 74 CYS H . . 3.990 3.777 2.374 4.029 0.039 14 0 "[ . 1 . 2]" 1
890 1 73 THR HB 1 122 SER HA . . 4.470 3.475 2.676 4.353 . 0 0 "[ . 1 . 2]" 1
891 1 73 THR MG 1 74 CYS H . . 3.710 3.551 3.213 3.796 0.086 2 0 "[ . 1 . 2]" 1
892 1 73 THR MG 1 74 CYS HA . . 4.660 3.913 3.455 4.779 0.119 2 0 "[ . 1 . 2]" 1
893 1 73 THR MG 1 75 ALA H . . 4.560 3.456 2.766 4.165 . 0 0 "[ . 1 . 2]" 1
894 1 73 THR MG 1 122 SER HB3 . . 4.780 4.821 3.982 6.220 1.440 11 2 "[ . 1+ - . 2]" 1
895 1 74 CYS H 1 74 CYS HB3 . . 3.940 3.138 2.567 3.400 . 0 0 "[ . 1 . 2]" 1
896 1 74 CYS H 1 120 SER HA . . 5.020 4.422 4.228 4.773 . 0 0 "[ . 1 . 2]" 1
897 1 74 CYS H 1 121 VAL HB . . 5.000 4.497 3.276 5.089 0.089 10 0 "[ . 1 . 2]" 1
898 1 74 CYS H 1 122 SER H . . 5.500 4.869 4.066 5.460 . 0 0 "[ . 1 . 2]" 1
899 1 74 CYS H 1 122 SER HA . . 3.920 3.545 3.227 3.870 . 0 0 "[ . 1 . 2]" 1
900 1 74 CYS HA 1 75 ALA H . . 2.880 2.559 2.208 2.960 0.080 4 0 "[ . 1 . 2]" 1
901 1 74 CYS HB3 1 75 ALA H . . 4.940 4.305 4.049 4.454 . 0 0 "[ . 1 . 2]" 1
902 1 74 CYS HB3 1 121 VAL H . . 5.410 3.424 2.407 4.096 . 0 0 "[ . 1 . 2]" 1
903 1 74 CYS HB3 1 121 VAL HB . . 4.820 3.177 2.411 3.917 . 0 0 "[ . 1 . 2]" 1
904 1 74 CYS HB3 1 121 VAL QG . . 4.090 2.958 1.749 3.824 . 0 0 "[ . 1 . 2]" 1
905 1 75 ALA H 1 75 ALA MB . . 3.100 2.334 2.150 2.608 . 0 0 "[ . 1 . 2]" 1
906 1 75 ALA HA 1 76 GLY H . . 2.800 2.341 2.265 2.449 . 0 0 "[ . 1 . 2]" 1
907 1 75 ALA HA 1 76 GLY QA . . 4.440 3.900 3.766 3.988 . 0 0 "[ . 1 . 2]" 1
908 1 75 ALA HA 1 119 PHE H . . 4.740 4.639 4.449 4.811 0.071 11 0 "[ . 1 . 2]" 1
909 1 75 ALA HA 1 120 SER HA . . 3.130 2.180 1.889 2.822 . 0 0 "[ . 1 . 2]" 1
910 1 75 ALA HA 1 121 VAL H . . 3.880 3.522 3.129 3.831 . 0 0 "[ . 1 . 2]" 1
911 1 75 ALA MB 1 76 GLY H . . 3.550 3.102 2.757 3.458 . 0 0 "[ . 1 . 2]" 1
912 1 75 ALA MB 1 119 PHE H . . 5.500 5.016 4.541 5.496 . 0 0 "[ . 1 . 2]" 1
913 1 75 ALA MB 1 120 SER HA . . 4.450 3.239 2.717 4.001 . 0 0 "[ . 1 . 2]" 1
914 1 75 ALA MB 1 121 VAL H . . 5.500 3.917 3.358 4.543 . 0 0 "[ . 1 . 2]" 1
915 1 76 GLY H 1 77 SER H . . 4.930 4.243 4.087 4.388 . 0 0 "[ . 1 . 2]" 1
916 1 76 GLY H 1 118 THR HA . . 4.520 4.599 4.561 4.615 0.095 11 0 "[ . 1 . 2]" 1
917 1 76 GLY H 1 118 THR HB . . 4.870 4.345 4.025 4.622 . 0 0 "[ . 1 . 2]" 1
918 1 76 GLY H 1 118 THR MG . . 5.200 4.753 4.232 5.196 . 0 0 "[ . 1 . 2]" 1
919 1 76 GLY H 1 119 PHE H . . 3.550 3.023 2.830 3.314 . 0 0 "[ . 1 . 2]" 1
920 1 76 GLY H 1 119 PHE QD . . 4.120 4.029 3.707 4.212 0.092 6 0 "[ . 1 . 2]" 1
921 1 76 GLY H 1 119 PHE QE . . 4.260 4.251 4.028 4.346 0.086 17 0 "[ . 1 . 2]" 1
922 1 76 GLY H 1 120 SER HA . . 3.950 3.765 3.373 4.035 0.085 7 0 "[ . 1 . 2]" 1
923 1 76 GLY QA 1 77 SER H . . 3.290 2.239 2.134 2.315 . 0 0 "[ . 1 . 2]" 1
924 1 76 GLY QA 1 77 SER HA . . 4.450 3.878 3.675 4.008 . 0 0 "[ . 1 . 2]" 1
925 1 76 GLY QA 1 119 PHE H . . 4.660 4.279 3.917 4.705 0.045 6 0 "[ . 1 . 2]" 1
926 1 76 GLY QA 1 119 PHE QE . . 3.710 3.500 2.956 3.817 0.107 18 0 "[ . 1 . 2]" 1
927 1 76 GLY QA 1 119 PHE HZ . . 3.740 3.461 3.003 3.831 0.091 18 0 "[ . 1 . 2]" 1
928 1 77 SER H 1 119 PHE QE . . 4.330 3.868 2.972 4.411 0.081 19 0 "[ . 1 . 2]" 1
929 1 77 SER H 1 119 PHE HZ . . 5.340 4.263 3.805 4.740 . 0 0 "[ . 1 . 2]" 1
930 1 77 SER HA 1 78 VAL H . . 2.810 2.385 2.127 2.600 . 0 0 "[ . 1 . 2]" 1
931 1 77 SER HA 1 78 VAL HB . . 5.100 4.519 4.322 4.706 . 0 0 "[ . 1 . 2]" 1
932 1 77 SER HA 1 78 VAL QG . . 4.290 3.419 3.128 3.780 . 0 0 "[ . 1 . 2]" 1
933 1 77 SER HA 1 118 THR HA . . 3.200 2.069 1.888 2.274 . 0 0 "[ . 1 . 2]" 1
934 1 77 SER HA 1 118 THR MG . . 4.090 2.537 2.242 3.038 . 0 0 "[ . 1 . 2]" 1
935 1 77 SER HA 1 119 PHE QE . . 3.990 3.779 3.250 4.086 0.096 10 0 "[ . 1 . 2]" 1
936 1 77 SER HB3 1 78 VAL H . . 3.640 3.589 2.503 4.003 0.363 5 0 "[ . 1 . 2]" 1
937 1 77 SER HB3 1 119 PHE H . . 5.340 5.020 4.388 5.929 0.589 5 1 "[ + 1 . 2]" 1
938 1 78 VAL H 1 78 VAL HB . . 3.300 2.986 2.453 3.395 0.095 4 0 "[ . 1 . 2]" 1
939 1 78 VAL H 1 78 VAL QG . . 3.560 2.545 2.175 2.932 . 0 0 "[ . 1 . 2]" 1
940 1 78 VAL H 1 117 GLU HB3 . . 5.250 4.428 3.651 5.279 0.029 4 0 "[ . 1 . 2]" 1
941 1 78 VAL H 1 118 THR HA . . 3.810 3.360 2.895 3.521 . 0 0 "[ . 1 . 2]" 1
942 1 78 VAL H 1 118 THR HB . . 5.500 5.523 5.296 5.583 0.083 19 0 "[ . 1 . 2]" 1
943 1 78 VAL H 1 118 THR MG . . 4.490 3.611 3.345 3.864 . 0 0 "[ . 1 . 2]" 1
944 1 78 VAL H 1 119 PHE H . . 5.300 5.286 4.769 5.379 0.079 5 0 "[ . 1 . 2]" 1
945 1 78 VAL H 1 119 PHE QD . . 5.500 4.504 3.579 4.905 . 0 0 "[ . 1 . 2]" 1
946 1 78 VAL H 1 119 PHE QE . . 4.460 4.196 3.684 4.546 0.086 14 0 "[ . 1 . 2]" 1
947 1 78 VAL HA 1 79 SER H . . 2.920 2.328 2.244 2.381 . 0 0 "[ . 1 . 2]" 1
948 1 78 VAL HB 1 79 SER H . . 4.700 4.067 3.797 4.288 . 0 0 "[ . 1 . 2]" 1
949 1 78 VAL HB 1 108 TYR QE . . 5.400 4.210 3.445 4.975 . 0 0 "[ . 1 . 2]" 1
950 1 78 VAL HB 1 119 PHE QD . . 5.410 4.364 3.925 5.094 . 0 0 "[ . 1 . 2]" 1
951 1 78 VAL QG 1 79 SER H . . 3.600 2.459 2.162 2.815 . 0 0 "[ . 1 . 2]" 1
952 1 78 VAL QG 1 79 SER HA . . 4.600 3.225 2.741 3.513 . 0 0 "[ . 1 . 2]" 1
953 1 78 VAL QG 1 80 SER H . . 5.500 4.538 3.807 4.907 . 0 0 "[ . 1 . 2]" 1
954 1 78 VAL QG 1 108 TYR HB3 . . 4.400 4.202 3.289 4.798 0.398 11 0 "[ . 1 . 2]" 1
955 1 78 VAL QG 1 108 TYR QD . . 3.840 3.109 2.658 3.534 . 0 0 "[ . 1 . 2]" 1
956 1 78 VAL QG 1 108 TYR QE . . 3.110 2.564 2.151 2.914 . 0 0 "[ . 1 . 2]" 1
957 1 78 VAL QG 1 117 GLU H . . 5.500 3.351 2.404 4.270 . 0 0 "[ . 1 . 2]" 1
958 1 78 VAL QG 1 117 GLU HB3 . . 4.530 3.086 2.411 3.981 . 0 0 "[ . 1 . 2]" 1
959 1 78 VAL QG 1 119 PHE QE . . 3.310 2.401 1.905 3.315 0.005 20 0 "[ . 1 . 2]" 1
960 1 79 SER HA 1 80 SER H . . 2.880 2.384 2.193 2.595 . 0 0 "[ . 1 . 2]" 1
961 1 79 SER HA 1 80 SER HA . . 4.940 4.540 4.428 4.670 . 0 0 "[ . 1 . 2]" 1
962 1 79 SER HA 1 115 LEU H . . 5.130 4.914 4.479 5.197 0.067 19 0 "[ . 1 . 2]" 1
963 1 79 SER HA 1 115 LEU HB3 . . 5.050 3.587 3.415 3.995 . 0 0 "[ . 1 . 2]" 1
964 1 79 SER HA 1 115 LEU QD . . 3.570 2.764 2.104 3.375 . 0 0 "[ . 1 . 2]" 1
965 1 79 SER HA 1 116 ILE H . . 5.500 4.213 3.499 4.456 . 0 0 "[ . 1 . 2]" 1
966 1 79 SER HA 1 116 ILE HA . . 3.450 2.315 2.075 2.515 . 0 0 "[ . 1 . 2]" 1
967 1 79 SER HA 1 116 ILE HB . . 5.100 5.119 4.950 5.185 0.085 2 0 "[ . 1 . 2]" 1
968 1 79 SER HA 1 116 ILE MD . . 4.790 4.732 3.427 4.908 0.118 4 0 "[ . 1 . 2]" 1
969 1 79 SER HA 1 116 ILE MG . . 4.710 4.035 3.702 4.483 . 0 0 "[ . 1 . 2]" 1
970 1 79 SER HA 1 117 GLU H . . 4.620 3.804 3.541 4.432 . 0 0 "[ . 1 . 2]" 1
971 1 79 SER HB3 1 80 SER H . . 3.620 3.036 2.288 3.810 0.190 2 0 "[ . 1 . 2]" 1
972 1 79 SER HB3 1 116 ILE MD . . 5.210 4.124 3.490 5.293 0.083 19 0 "[ . 1 . 2]" 1
973 1 80 SER H 1 80 SER HB3 . . 3.970 3.107 2.759 3.945 . 0 0 "[ . 1 . 2]" 1
974 1 80 SER H 1 81 ILE H . . 5.120 4.246 4.084 4.385 . 0 0 "[ . 1 . 2]" 1
975 1 80 SER H 1 114 THR HA . . 5.060 4.778 4.198 5.141 0.081 19 0 "[ . 1 . 2]" 1
976 1 80 SER H 1 115 LEU H . . 3.940 3.160 2.733 3.604 . 0 0 "[ . 1 . 2]" 1
977 1 80 SER H 1 115 LEU HA . . 4.480 4.491 4.303 4.561 0.081 7 0 "[ . 1 . 2]" 1
978 1 80 SER H 1 115 LEU HB3 . . 4.070 2.389 2.039 2.709 . 0 0 "[ . 1 . 2]" 1
979 1 80 SER H 1 115 LEU QD . . 4.460 3.269 2.823 3.706 . 0 0 "[ . 1 . 2]" 1
980 1 80 SER H 1 116 ILE HA . . 4.770 4.043 3.871 4.247 . 0 0 "[ . 1 . 2]" 1
981 1 80 SER HA 1 81 ILE H . . 2.890 2.302 2.101 2.403 . 0 0 "[ . 1 . 2]" 1
982 1 80 SER HA 1 81 ILE MD . . 5.340 4.073 2.412 5.432 0.092 13 0 "[ . 1 . 2]" 1
983 1 80 SER HB3 1 81 ILE H . . 4.770 3.803 2.565 4.212 . 0 0 "[ . 1 . 2]" 1
984 1 80 SER HB3 1 110 THR MG . . 3.600 2.886 2.358 3.697 0.097 20 0 "[ . 1 . 2]" 1
985 1 80 SER HB3 1 115 LEU H . . 4.990 3.924 2.718 5.060 0.070 20 0 "[ . 1 . 2]" 1
986 1 80 SER HB3 1 115 LEU HB3 . . 4.360 2.323 1.950 3.817 . 0 0 "[ . 1 . 2]" 1
987 1 80 SER HB3 1 115 LEU QD . . 3.930 2.877 1.935 4.036 0.106 14 0 "[ . 1 . 2]" 1
988 1 81 ILE H 1 81 ILE MD . . 3.900 3.165 1.722 3.993 0.093 10 0 "[ . 1 . 2]" 1
989 1 81 ILE H 1 81 ILE HG13 . . 3.830 3.162 2.294 3.910 0.080 12 0 "[ . 1 . 2]" 1
990 1 81 ILE H 1 81 ILE MG . . 3.890 3.184 2.884 3.934 0.044 7 0 "[ . 1 . 2]" 1
991 1 81 ILE H 1 82 SER H . . 3.190 2.236 1.797 2.758 . 0 0 "[ . 1 . 2]" 1
992 1 81 ILE H 1 82 SER HA . . 4.660 4.335 4.156 4.563 . 0 0 "[ . 1 . 2]" 1
993 1 81 ILE H 1 82 SER HB3 . . 4.880 4.459 3.601 5.200 0.320 14 0 "[ . 1 . 2]" 1
994 1 81 ILE HA 1 81 ILE MD . . 4.470 3.920 2.703 4.219 . 0 0 "[ . 1 . 2]" 1
995 1 81 ILE HA 1 81 ILE MG . . 3.020 2.309 2.228 2.374 . 0 0 "[ . 1 . 2]" 1
996 1 81 ILE HA 1 82 SER H . . 3.340 3.047 2.661 3.296 . 0 0 "[ . 1 . 2]" 1
997 1 81 ILE HA 1 114 THR HA . . 3.610 3.248 2.950 3.675 0.065 15 0 "[ . 1 . 2]" 1
998 1 81 ILE HB 1 81 ILE MD . . 3.160 2.739 2.198 3.263 0.103 17 0 "[ . 1 . 2]" 1
999 1 81 ILE HB 1 82 SER H . . 4.900 4.434 4.012 4.547 . 0 0 "[ . 1 . 2]" 1
1000 1 81 ILE HB 1 82 SER HA . . 4.950 4.860 3.972 5.019 0.069 8 0 "[ . 1 . 2]" 1
1001 1 81 ILE MD 1 82 SER H . . 4.900 4.588 3.663 5.005 0.105 3 0 "[ . 1 . 2]" 1
1002 1 81 ILE MG 1 114 THR HA . . 3.900 3.651 3.200 3.974 0.074 3 0 "[ . 1 . 2]" 1
1003 1 81 ILE MG 1 115 LEU H . . 5.110 4.225 3.689 4.853 . 0 0 "[ . 1 . 2]" 1
1004 1 82 SER H 1 82 SER HB3 . . 3.430 2.930 2.485 3.745 0.315 6 0 "[ . 1 . 2]" 1
1005 1 82 SER H 1 83 GLU HA . . 5.500 5.538 5.327 5.579 0.079 7 0 "[ . 1 . 2]" 1
1006 1 82 SER H 1 110 THR MG . . 3.850 3.277 2.621 3.738 . 0 0 "[ . 1 . 2]" 1
1007 1 82 SER HA 1 83 GLU H . . 2.840 2.541 2.365 2.847 0.007 15 0 "[ . 1 . 2]" 1
1008 1 82 SER HB3 1 83 GLU H . . 3.460 2.845 2.058 3.537 0.077 18 0 "[ . 1 . 2]" 1
1009 1 82 SER HB3 1 110 THR MG . . 4.380 3.610 2.562 4.468 0.088 13 0 "[ . 1 . 2]" 1
1010 1 83 GLU H 1 110 THR MG . . 5.500 4.608 4.371 4.834 . 0 0 "[ . 1 . 2]" 1
1011 1 83 GLU HA 1 84 ALA H . . 2.740 2.364 2.200 2.507 . 0 0 "[ . 1 . 2]" 1
1012 1 83 GLU HA 1 84 ALA MB . . 4.070 4.093 3.977 4.148 0.078 3 0 "[ . 1 . 2]" 1
1013 1 83 GLU HA 1 112 GLY H . . 5.500 4.889 4.420 5.540 0.040 10 0 "[ . 1 . 2]" 1
1014 1 83 GLU HA 1 112 GLY HA2 . . 4.180 3.808 3.164 4.259 0.079 10 0 "[ . 1 . 2]" 1
1015 1 83 GLU HB3 1 84 ALA HA . . 5.200 5.039 4.641 5.473 0.273 1 0 "[ . 1 . 2]" 1
1016 1 83 GLU HB3 1 84 ALA MB . . 5.200 4.110 3.632 4.915 . 0 0 "[ . 1 . 2]" 1
1017 1 84 ALA H 1 84 ALA MB . . 2.910 2.187 2.161 2.224 . 0 0 "[ . 1 . 2]" 1
1018 1 84 ALA H 1 85 GLY H . . 5.210 4.629 4.582 4.670 . 0 0 "[ . 1 . 2]" 1
1019 1 84 ALA H 1 110 THR HB . . 4.050 4.125 4.108 4.138 0.088 16 0 "[ . 1 . 2]" 1
1020 1 84 ALA H 1 112 GLY HA2 . . 4.340 3.314 2.435 3.986 . 0 0 "[ . 1 . 2]" 1
1021 1 84 ALA HA 1 85 GLY H . . 3.060 2.360 2.300 2.452 . 0 0 "[ . 1 . 2]" 1
1022 1 84 ALA HA 1 110 THR H . . 5.040 4.293 4.114 4.519 . 0 0 "[ . 1 . 2]" 1
1023 1 84 ALA HA 1 110 THR HB . . 3.850 2.141 2.014 2.296 . 0 0 "[ . 1 . 2]" 1
1024 1 84 ALA HA 1 110 THR MG . . 3.750 3.779 3.660 3.840 0.090 13 0 "[ . 1 . 2]" 1
1025 1 84 ALA HA 1 111 ASP H . . 4.810 3.839 3.599 4.208 . 0 0 "[ . 1 . 2]" 1
1026 1 84 ALA HA 1 111 ASP HA . . 3.810 3.268 2.576 3.882 0.072 18 0 "[ . 1 . 2]" 1
1027 1 84 ALA MB 1 85 GLY H . . 3.400 2.497 2.323 2.644 . 0 0 "[ . 1 . 2]" 1
1028 1 84 ALA MB 1 85 GLY HA2 . . 5.210 3.969 3.776 4.121 . 0 0 "[ . 1 . 2]" 1
1029 1 84 ALA MB 1 85 GLY HA3 . . 5.280 3.795 3.679 3.890 . 0 0 "[ . 1 . 2]" 1
1030 1 84 ALA MB 1 111 ASP H . . 4.900 4.133 3.954 4.404 . 0 0 "[ . 1 . 2]" 1
1031 1 84 ALA MB 1 111 ASP HA . . 3.300 2.343 2.049 2.851 . 0 0 "[ . 1 . 2]" 1
1032 1 84 ALA MB 1 111 ASP HB3 . . 4.980 4.611 4.271 5.017 0.037 8 0 "[ . 1 . 2]" 1
1033 1 84 ALA MB 1 112 GLY H . . 4.220 2.844 2.185 3.395 . 0 0 "[ . 1 . 2]" 1
1034 1 84 ALA MB 1 112 GLY HA2 . . 4.580 2.989 2.433 3.757 . 0 0 "[ . 1 . 2]" 1
1035 1 84 ALA MB 1 112 GLY HA3 . . 4.290 3.252 2.764 3.943 . 0 0 "[ . 1 . 2]" 1
1036 1 85 GLY H 1 86 LYS H . . 3.450 2.751 2.575 2.968 . 0 0 "[ . 1 . 2]" 1
1037 1 85 GLY H 1 109 ILE MG . . 4.090 3.043 2.469 3.590 . 0 0 "[ . 1 . 2]" 1
1038 1 85 GLY H 1 110 THR H . . 4.490 3.658 3.312 4.216 . 0 0 "[ . 1 . 2]" 1
1039 1 85 GLY H 1 110 THR MG . . 4.870 4.673 4.505 4.945 0.075 18 0 "[ . 1 . 2]" 1
1040 1 85 GLY H 1 111 ASP H . . 5.500 4.804 4.477 5.117 . 0 0 "[ . 1 . 2]" 1
1041 1 85 GLY H 1 111 ASP HA . . 3.900 3.468 2.978 3.960 0.060 4 0 "[ . 1 . 2]" 1
1042 1 85 GLY HA2 1 109 ILE MD . . 5.130 4.848 4.007 5.220 0.090 12 0 "[ . 1 . 2]" 1
1043 1 85 GLY HA2 1 109 ILE MG . . 3.710 2.886 2.215 3.409 . 0 0 "[ . 1 . 2]" 1
1044 1 85 GLY HA2 1 110 THR H . . 5.500 4.593 4.097 5.218 . 0 0 "[ . 1 . 2]" 1
1045 1 85 GLY HA3 1 109 ILE MG . . 4.740 4.261 3.568 4.848 0.108 4 0 "[ . 1 . 2]" 1
1046 1 86 LYS H 1 86 LYS HD3 . . 4.980 3.919 3.213 4.364 . 0 0 "[ . 1 . 2]" 1
1047 1 86 LYS H 1 87 ARG H . . 5.000 4.519 4.333 4.664 . 0 0 "[ . 1 . 2]" 1
1048 1 86 LYS H 1 109 ILE HA . . 5.440 4.906 4.603 5.378 . 0 0 "[ . 1 . 2]" 1
1049 1 86 LYS H 1 110 THR H . . 3.790 3.231 2.886 3.832 0.042 12 0 "[ . 1 . 2]" 1
1050 1 86 LYS H 1 110 THR MG . . 4.780 3.737 3.457 4.586 . 0 0 "[ . 1 . 2]" 1
1051 1 86 LYS HA 1 87 ARG H . . 3.060 2.316 2.116 2.579 . 0 0 "[ . 1 . 2]" 1
1052 1 86 LYS HA 1 87 ARG HB3 . . 4.930 5.191 3.822 5.736 0.806 1 14 "[+** .*- **** ** ***2]" 1
1053 1 86 LYS HB3 1 87 ARG H . . 3.390 2.992 2.390 3.467 0.077 1 0 "[ . 1 . 2]" 1
1054 1 86 LYS HD3 1 87 ARG H . . 4.180 4.692 3.789 5.777 1.597 14 7 "[ *** * 1 +.*- 2]" 1
1055 1 87 ARG H 1 87 ARG HB3 . . 3.870 3.594 2.750 3.892 0.022 12 0 "[ . 1 . 2]" 1
1056 1 87 ARG H 1 87 ARG HG3 . . 4.130 3.172 2.431 3.767 . 0 0 "[ . 1 . 2]" 1
1057 1 87 ARG H 1 88 LEU H . . 4.950 4.535 4.389 4.697 . 0 0 "[ . 1 . 2]" 1
1058 1 87 ARG HA 1 88 LEU H . . 2.870 2.455 2.227 2.658 . 0 0 "[ . 1 . 2]" 1
1059 1 87 ARG HA 1 88 LEU HB3 . . 4.830 4.743 4.471 4.883 0.053 11 0 "[ . 1 . 2]" 1
1060 1 87 ARG HA 1 108 TYR H . . 5.100 4.672 4.442 5.010 . 0 0 "[ . 1 . 2]" 1
1061 1 87 ARG HA 1 109 ILE HA . . 3.430 2.364 1.948 2.678 . 0 0 "[ . 1 . 2]" 1
1062 1 87 ARG HA 1 109 ILE HB . . 5.020 4.821 4.424 5.103 0.083 7 0 "[ . 1 . 2]" 1
1063 1 87 ARG HA 1 109 ILE MG . . 4.460 3.157 2.355 4.029 . 0 0 "[ . 1 . 2]" 1
1064 1 87 ARG HA 1 110 THR H . . 4.460 3.834 3.276 4.256 . 0 0 "[ . 1 . 2]" 1
1065 1 87 ARG HB3 1 88 LEU H . . 4.330 3.081 2.571 4.065 . 0 0 "[ . 1 . 2]" 1
1066 1 88 LEU H 1 88 LEU HB3 . . 3.970 3.071 2.774 3.277 . 0 0 "[ . 1 . 2]" 1
1067 1 88 LEU H 1 108 TYR H . . 3.840 2.855 2.595 3.109 . 0 0 "[ . 1 . 2]" 1
1068 1 88 LEU H 1 108 TYR HB3 . . 4.380 5.303 4.863 5.775 1.395 15 19 "[*** ******-***+*****]" 1
1069 1 88 LEU H 1 108 TYR QD . . 4.760 4.599 4.188 4.843 0.083 1 0 "[ . 1 . 2]" 1
1070 1 88 LEU H 1 109 ILE MD . . 5.500 4.889 4.272 5.415 . 0 0 "[ . 1 . 2]" 1
1071 1 88 LEU HA 1 88 LEU QD . . 3.140 2.083 1.897 2.361 . 0 0 "[ . 1 . 2]" 1
1072 1 88 LEU HA 1 89 HIS H . . 2.950 2.262 2.137 2.433 . 0 0 "[ . 1 . 2]" 1
1073 1 88 LEU HA 1 89 HIS HB3 . . 4.830 4.636 4.334 4.816 . 0 0 "[ . 1 . 2]" 1
1074 1 88 LEU HB3 1 89 HIS H . . 4.730 3.891 3.456 4.402 . 0 0 "[ . 1 . 2]" 1
1075 1 88 LEU HB3 1 108 TYR H . . 5.400 3.117 2.503 3.759 . 0 0 "[ . 1 . 2]" 1
1076 1 88 LEU HB3 1 108 TYR HB3 . . 4.580 4.152 3.715 4.605 0.025 16 0 "[ . 1 . 2]" 1
1077 1 88 LEU HB3 1 108 TYR QD . . 3.870 2.238 2.045 2.372 . 0 0 "[ . 1 . 2]" 1
1078 1 88 LEU HB3 1 115 LEU QD . . 4.530 4.029 3.164 4.617 0.087 16 0 "[ . 1 . 2]" 1
1079 1 88 LEU QD 1 89 HIS H . . 3.550 2.773 1.836 3.249 . 0 0 "[ . 1 . 2]" 1
1080 1 88 LEU QD 1 90 ILE HA . . 5.020 4.087 3.558 4.738 . 0 0 "[ . 1 . 2]" 1
1081 1 88 LEU QD 1 90 ILE HB . . 5.100 3.998 3.368 4.416 . 0 0 "[ . 1 . 2]" 1
1082 1 88 LEU QD 1 90 ILE MD . . 3.520 2.293 2.003 2.608 . 0 0 "[ . 1 . 2]" 1
1083 1 88 LEU QD 1 90 ILE HG13 . . 4.380 2.725 2.073 3.542 . 0 0 "[ . 1 . 2]" 1
1084 1 88 LEU QD 1 108 TYR H . . 5.500 4.268 3.772 4.676 . 0 0 "[ . 1 . 2]" 1
1085 1 88 LEU QD 1 108 TYR HB3 . . 4.850 4.724 4.136 5.273 0.423 4 0 "[ . 1 . 2]" 1
1086 1 88 LEU QD 1 108 TYR QD . . 3.120 2.311 1.992 2.942 . 0 0 "[ . 1 . 2]" 1
1087 1 88 LEU QD 1 108 TYR QE . . 4.990 3.007 2.613 3.919 . 0 0 "[ . 1 . 2]" 1
1088 1 89 HIS H 1 89 HIS HB3 . . 3.610 2.744 2.444 3.000 . 0 0 "[ . 1 . 2]" 1
1089 1 89 HIS H 1 89 HIS HD2 . . 4.800 4.843 4.571 4.884 0.084 9 0 "[ . 1 . 2]" 1
1090 1 89 HIS HA 1 89 HIS HD2 . . 3.950 3.719 3.452 4.009 0.059 4 0 "[ . 1 . 2]" 1
1091 1 89 HIS HA 1 90 ILE H . . 2.820 2.214 2.128 2.298 . 0 0 "[ . 1 . 2]" 1
1092 1 89 HIS HA 1 90 ILE HB . . 4.800 4.409 4.049 4.611 . 0 0 "[ . 1 . 2]" 1
1093 1 89 HIS HA 1 107 GLU H . . 5.280 4.757 4.326 5.109 . 0 0 "[ . 1 . 2]" 1
1094 1 89 HIS HA 1 108 TYR H . . 4.300 3.709 3.370 4.046 . 0 0 "[ . 1 . 2]" 1
1095 1 89 HIS HB3 1 89 HIS HD2 . . 3.520 3.007 2.907 3.187 . 0 0 "[ . 1 . 2]" 1
1096 1 89 HIS HB3 1 90 ILE H . . 4.820 4.217 3.894 4.478 . 0 0 "[ . 1 . 2]" 1
1097 1 89 HIS HD2 1 90 ILE H . . 4.860 3.347 2.646 4.072 . 0 0 "[ . 1 . 2]" 1
1098 1 89 HIS HD2 1 90 ILE HA . . 4.330 3.749 3.259 4.337 0.007 9 0 "[ . 1 . 2]" 1
1099 1 89 HIS HD2 1 91 THR H . . 5.500 4.056 3.165 4.658 . 0 0 "[ . 1 . 2]" 1
1100 1 89 HIS HD2 1 91 THR HB . . 4.440 4.508 4.370 4.530 0.090 20 0 "[ . 1 . 2]" 1
1101 1 89 HIS HD2 1 91 THR MG . . 4.590 4.521 3.710 4.693 0.103 19 0 "[ . 1 . 2]" 1
1102 1 89 HIS HD2 1 106 LYS H . . 4.310 4.244 3.847 4.386 0.076 11 0 "[ . 1 . 2]" 1
1103 1 90 ILE H 1 90 ILE HB . . 3.330 2.479 2.274 2.691 . 0 0 "[ . 1 . 2]" 1
1104 1 90 ILE H 1 90 ILE HG13 . . 4.270 3.878 2.552 4.338 0.068 19 0 "[ . 1 . 2]" 1
1105 1 90 ILE H 1 90 ILE MG . . 4.500 3.752 3.617 3.869 . 0 0 "[ . 1 . 2]" 1
1106 1 90 ILE H 1 108 TYR QE . . 5.390 4.062 3.122 4.958 . 0 0 "[ . 1 . 2]" 1
1107 1 90 ILE HA 1 90 ILE MD . . 3.690 2.578 2.088 3.713 0.023 15 0 "[ . 1 . 2]" 1
1108 1 90 ILE HA 1 90 ILE HG13 . . 4.230 3.654 3.230 3.839 . 0 0 "[ . 1 . 2]" 1
1109 1 90 ILE HA 1 90 ILE MG . . 3.350 2.586 2.479 2.718 . 0 0 "[ . 1 . 2]" 1
1110 1 90 ILE HA 1 91 THR H . . 2.700 2.172 1.995 2.265 . 0 0 "[ . 1 . 2]" 1
1111 1 90 ILE HB 1 91 THR H . . 4.690 4.187 4.035 4.321 . 0 0 "[ . 1 . 2]" 1
1112 1 90 ILE HB 1 106 LYS H . . 4.480 3.578 2.642 4.525 0.045 18 0 "[ . 1 . 2]" 1
1113 1 90 ILE HB 1 108 TYR QD . . 5.080 4.559 4.067 4.891 . 0 0 "[ . 1 . 2]" 1
1114 1 90 ILE HB 1 108 TYR QE . . 3.860 2.852 2.140 3.306 . 0 0 "[ . 1 . 2]" 1
1115 1 90 ILE MD 1 91 THR H . . 4.860 3.727 3.087 4.826 . 0 0 "[ . 1 . 2]" 1
1116 1 90 ILE MD 1 108 TYR QE . . 4.130 3.717 2.257 4.184 0.054 7 0 "[ . 1 . 2]" 1
1117 1 90 ILE MD 1 119 PHE QE . . 3.980 3.958 3.081 4.100 0.120 20 0 "[ . 1 . 2]" 1
1118 1 90 ILE MD 1 119 PHE HZ . . 4.580 4.176 3.520 4.671 0.091 12 0 "[ . 1 . 2]" 1
1119 1 90 ILE HG13 1 90 ILE MG . . 3.470 2.629 2.300 3.229 . 0 0 "[ . 1 . 2]" 1
1120 1 90 ILE HG13 1 91 THR H . . 5.310 5.287 4.999 5.400 0.090 5 0 "[ . 1 . 2]" 1
1121 1 90 ILE HG13 1 108 TYR QD . . 5.170 3.873 3.393 4.390 . 0 0 "[ . 1 . 2]" 1
1122 1 90 ILE HG13 1 108 TYR QE . . 3.410 2.423 2.128 2.807 . 0 0 "[ . 1 . 2]" 1
1123 1 90 ILE MG 1 91 THR H . . 3.460 2.563 2.374 2.884 . 0 0 "[ . 1 . 2]" 1
1124 1 90 ILE MG 1 106 LYS H . . 4.710 3.984 2.840 4.524 . 0 0 "[ . 1 . 2]" 1
1125 1 90 ILE MG 1 108 TYR QE . . 3.990 3.819 3.332 4.073 0.083 6 0 "[ . 1 . 2]" 1
1126 1 91 THR H 1 91 THR HB . . 3.400 2.656 2.439 2.924 . 0 0 "[ . 1 . 2]" 1
1127 1 91 THR H 1 92 VAL H . . 5.120 4.359 4.133 4.533 . 0 0 "[ . 1 . 2]" 1
1128 1 91 THR H 1 92 VAL QG . . 4.680 3.807 3.523 4.544 . 0 0 "[ . 1 . 2]" 1
1129 1 91 THR HA 1 91 THR MG . . 3.090 2.413 2.237 2.562 . 0 0 "[ . 1 . 2]" 1
1130 1 91 THR HA 1 92 VAL H . . 2.740 2.246 2.111 2.327 . 0 0 "[ . 1 . 2]" 1
1131 1 91 THR HA 1 105 GLU H . . 5.500 4.980 4.607 5.280 . 0 0 "[ . 1 . 2]" 1
1132 1 91 THR HA 1 105 GLU HA . . 3.330 2.359 2.167 2.519 . 0 0 "[ . 1 . 2]" 1
1133 1 91 THR HA 1 105 GLU HB3 . . 5.380 3.659 2.177 4.401 . 0 0 "[ . 1 . 2]" 1
1134 1 91 THR HA 1 105 GLU HG3 . . 4.660 3.182 2.052 4.795 0.135 15 0 "[ . 1 . 2]" 1
1135 1 91 THR HB 1 92 VAL H . . 4.750 4.140 3.923 4.347 . 0 0 "[ . 1 . 2]" 1
1136 1 91 THR HB 1 92 VAL QG . . 5.270 4.709 4.522 5.000 . 0 0 "[ . 1 . 2]" 1
1137 1 91 THR HB 1 93 ILE MD . . 4.310 4.141 2.960 4.411 0.101 17 0 "[ . 1 . 2]" 1
1138 1 91 THR MG 1 92 VAL H . . 3.510 2.738 2.392 3.045 . 0 0 "[ . 1 . 2]" 1
1139 1 91 THR MG 1 93 ILE HA . . 5.500 4.960 4.455 5.482 . 0 0 "[ . 1 . 2]" 1
1140 1 91 THR MG 1 93 ILE HG13 . . 4.160 2.514 2.075 3.166 . 0 0 "[ . 1 . 2]" 1
1141 1 91 THR MG 1 105 GLU HG3 . . 4.380 2.710 2.088 4.199 . 0 0 "[ . 1 . 2]" 1
1142 1 92 VAL H 1 92 VAL HB . . 3.590 3.523 2.528 3.672 0.082 17 0 "[ . 1 . 2]" 1
1143 1 92 VAL H 1 92 VAL QG . . 3.600 2.290 2.159 2.539 . 0 0 "[ . 1 . 2]" 1
1144 1 92 VAL H 1 93 ILE HG13 . . 3.940 3.481 3.155 3.923 . 0 0 "[ . 1 . 2]" 1
1145 1 92 VAL H 1 105 GLU HA . . 4.260 3.271 2.941 3.511 . 0 0 "[ . 1 . 2]" 1
1146 1 92 VAL H 1 105 GLU HG3 . . 5.220 3.960 2.903 5.546 0.326 15 0 "[ . 1 . 2]" 1
1147 1 92 VAL H 1 106 LYS H . . 5.400 5.346 4.890 5.477 0.077 12 0 "[ . 1 . 2]" 1
1148 1 92 VAL HA 1 92 VAL QG . . 3.100 2.152 2.027 2.217 . 0 0 "[ . 1 . 2]" 1
1149 1 92 VAL HA 1 93 ILE H . . 2.850 2.186 2.118 2.311 . 0 0 "[ . 1 . 2]" 1
1150 1 92 VAL HA 1 93 ILE HB . . 4.760 4.603 4.381 4.823 0.063 6 0 "[ . 1 . 2]" 1
1151 1 92 VAL HA 1 93 ILE MD . . 5.500 4.558 2.473 5.207 . 0 0 "[ . 1 . 2]" 1
1152 1 92 VAL HA 1 93 ILE HG13 . . 4.570 3.676 2.989 4.231 . 0 0 "[ . 1 . 2]" 1
1153 1 92 VAL HB 1 93 ILE H . . 4.900 3.753 3.301 4.603 . 0 0 "[ . 1 . 2]" 1
1154 1 92 VAL HB 1 104 LEU H . . 4.060 4.099 3.883 4.159 0.099 11 0 "[ . 1 . 2]" 1
1155 1 92 VAL QG 1 104 LEU H . . 4.650 2.732 1.940 3.304 . 0 0 "[ . 1 . 2]" 1
1156 1 92 VAL QG 1 104 LEU HA . . 4.380 4.300 4.052 4.418 0.038 9 0 "[ . 1 . 2]" 1
1157 1 92 VAL QG 1 104 LEU QD . . 2.940 2.082 1.900 2.688 . 0 0 "[ . 1 . 2]" 1
1158 1 92 VAL QG 1 104 LEU HG . . 3.360 2.052 1.903 2.141 . 0 0 "[ . 1 . 2]" 1
1159 1 92 VAL QG 1 105 GLU H . . 4.510 4.201 3.567 4.538 0.028 9 0 "[ . 1 . 2]" 1
1160 1 92 VAL QG 1 105 GLU HA . . 4.850 3.245 2.514 3.957 . 0 0 "[ . 1 . 2]" 1
1161 1 92 VAL QG 1 119 PHE QD . . 3.840 2.667 2.265 3.007 . 0 0 "[ . 1 . 2]" 1
1162 1 92 VAL QG 1 119 PHE QE . . 3.080 2.725 2.228 3.142 0.062 8 0 "[ . 1 . 2]" 1
1163 1 92 VAL QG 1 119 PHE HZ . . 4.480 4.098 3.533 4.414 . 0 0 "[ . 1 . 2]" 1
1164 1 92 VAL QG 1 120 SER H . . 4.380 4.250 4.124 4.346 . 0 0 "[ . 1 . 2]" 1
1165 1 92 VAL QG 1 121 VAL HB . . 5.260 3.417 2.725 4.477 . 0 0 "[ . 1 . 2]" 1
1166 1 92 VAL QG 1 121 VAL QG . . 3.420 2.224 1.718 2.494 . 0 0 "[ . 1 . 2]" 1
1167 1 93 ILE H 1 93 ILE HB . . 3.630 2.713 2.486 2.896 . 0 0 "[ . 1 . 2]" 1
1168 1 93 ILE H 1 93 ILE MD . . 4.080 3.771 2.178 4.161 0.081 17 0 "[ . 1 . 2]" 1
1169 1 93 ILE H 1 93 ILE HG13 . . 3.950 2.932 2.569 3.379 . 0 0 "[ . 1 . 2]" 1
1170 1 93 ILE H 1 93 ILE MG . . 4.330 3.904 3.778 3.984 . 0 0 "[ . 1 . 2]" 1
1171 1 93 ILE H 1 94 GLY H . . 5.050 4.389 4.238 4.515 . 0 0 "[ . 1 . 2]" 1
1172 1 93 ILE H 1 95 TYR QR . . 5.110 4.858 4.216 5.231 0.121 18 0 "[ . 1 . 2]" 1
1173 1 93 ILE HA 1 93 ILE MG . . 3.280 2.386 2.267 2.537 . 0 0 "[ . 1 . 2]" 1
1174 1 93 ILE HA 1 94 GLY H . . 2.930 2.273 2.155 2.408 . 0 0 "[ . 1 . 2]" 1
1175 1 93 ILE HA 1 94 GLY HA2 . . 5.120 4.507 4.444 4.576 . 0 0 "[ . 1 . 2]" 1
1176 1 93 ILE HA 1 94 GLY HA3 . . 4.580 4.325 4.206 4.487 . 0 0 "[ . 1 . 2]" 1
1177 1 93 ILE HA 1 103 ARG HA . . 3.370 2.357 2.132 2.669 . 0 0 "[ . 1 . 2]" 1
1178 1 93 ILE HB 1 93 ILE MD . . 3.290 2.353 2.151 2.548 . 0 0 "[ . 1 . 2]" 1
1179 1 93 ILE HB 1 94 GLY H . . 4.810 3.908 3.558 4.143 . 0 0 "[ . 1 . 2]" 1
1180 1 93 ILE HB 1 95 TYR QR . . 3.520 2.972 2.385 3.596 0.076 13 0 "[ . 1 . 2]" 1
1181 1 93 ILE MD 1 93 ILE MG . . 3.230 2.225 2.063 3.147 . 0 0 "[ . 1 . 2]" 1
1182 1 93 ILE MD 1 94 GLY H . . 4.970 5.041 4.973 5.076 0.106 8 0 "[ . 1 . 2]" 1
1183 1 93 ILE MD 1 95 TYR QR . . 4.430 3.793 3.100 4.493 0.063 15 0 "[ . 1 . 2]" 1
1184 1 93 ILE MG 1 94 GLY H . . 3.380 2.346 2.114 2.580 . 0 0 "[ . 1 . 2]" 1
1185 1 93 ILE MG 1 94 GLY HA3 . . 5.020 4.275 4.131 4.375 . 0 0 "[ . 1 . 2]" 1
1186 1 93 ILE MG 1 95 TYR QR . . 3.600 2.441 2.172 2.774 . 0 0 "[ . 1 . 2]" 1
1187 1 93 ILE MG 1 100 GLU HA . . 4.210 3.952 3.675 4.212 0.002 10 0 "[ . 1 . 2]" 1
1188 1 93 ILE MG 1 100 GLU HG3 . . 4.030 2.557 2.006 3.506 . 0 0 "[ . 1 . 2]" 1
1189 1 93 ILE MG 1 101 VAL H . . 4.560 4.343 3.918 4.633 0.073 18 0 "[ . 1 . 2]" 1
1190 1 93 ILE MG 1 102 ASN H . . 4.490 3.874 3.497 4.126 . 0 0 "[ . 1 . 2]" 1
1191 1 93 ILE MG 1 103 ARG HA . . 4.300 3.515 2.802 4.178 . 0 0 "[ . 1 . 2]" 1
1192 1 93 ILE MG 1 103 ARG HB3 . . 5.500 2.831 2.126 4.348 . 0 0 "[ . 1 . 2]" 1
1193 1 94 GLY H 1 95 TYR H . . 4.630 4.414 4.316 4.544 . 0 0 "[ . 1 . 2]" 1
1194 1 94 GLY H 1 95 TYR QR . . 5.500 4.043 3.712 4.510 . 0 0 "[ . 1 . 2]" 1
1195 1 94 GLY H 1 101 VAL QG . . 4.990 4.530 3.785 4.902 . 0 0 "[ . 1 . 2]" 1
1196 1 94 GLY H 1 102 ASN H . . 3.820 3.158 2.817 3.676 . 0 0 "[ . 1 . 2]" 1
1197 1 94 GLY H 1 102 ASN HB3 . . 5.280 3.194 2.631 3.881 . 0 0 "[ . 1 . 2]" 1
1198 1 94 GLY H 1 103 ARG HA . . 3.950 3.743 3.488 4.012 0.062 8 0 "[ . 1 . 2]" 1
1199 1 94 GLY H 1 121 VAL QG . . 4.690 3.670 2.838 4.512 . 0 0 "[ . 1 . 2]" 1
1200 1 94 GLY H 1 123 THR MG . . 4.620 4.321 3.875 4.720 0.100 8 0 "[ . 1 . 2]" 1
1201 1 94 GLY HA2 1 95 TYR H . . 3.040 2.235 2.130 2.565 . 0 0 "[ . 1 . 2]" 1
1202 1 94 GLY HA2 1 95 TYR QR . . 4.700 3.070 2.531 3.734 . 0 0 "[ . 1 . 2]" 1
1203 1 94 GLY HA2 1 123 THR MG . . 3.810 3.216 2.880 3.476 . 0 0 "[ . 1 . 2]" 1
1204 1 94 GLY HA3 1 95 TYR H . . 3.450 2.991 2.746 3.259 . 0 0 "[ . 1 . 2]" 1
1205 1 94 GLY HA3 1 95 TYR QR . . 5.330 4.389 4.002 5.009 . 0 0 "[ . 1 . 2]" 1
1206 1 94 GLY HA3 1 102 ASN H . . 4.790 4.177 3.692 4.799 0.009 18 0 "[ . 1 . 2]" 1
1207 1 94 GLY HA3 1 123 THR HA . . 4.850 4.701 4.220 4.925 0.075 3 0 "[ . 1 . 2]" 1
1208 1 94 GLY HA3 1 123 THR MG . . 3.250 2.381 2.152 2.669 . 0 0 "[ . 1 . 2]" 1
1209 1 95 TYR H 1 95 TYR QR . . 3.730 2.965 2.547 3.798 0.068 18 0 "[ . 1 . 2]" 1
1210 1 95 TYR H 1 96 ILE H . . 5.180 4.451 4.383 4.635 . 0 0 "[ . 1 . 2]" 1
1211 1 95 TYR H 1 101 VAL H . . 5.500 4.761 4.499 5.206 . 0 0 "[ . 1 . 2]" 1
1212 1 95 TYR H 1 101 VAL QG . . 5.150 4.018 3.110 4.599 . 0 0 "[ . 1 . 2]" 1
1213 1 95 TYR H 1 123 THR MG . . 3.700 2.733 2.215 3.592 . 0 0 "[ . 1 . 2]" 1
1214 1 95 TYR HA 1 95 TYR QR . . 3.370 3.029 2.572 3.204 . 0 0 "[ . 1 . 2]" 1
1215 1 95 TYR HA 1 96 ILE H . . 2.940 2.303 2.218 2.451 . 0 0 "[ . 1 . 2]" 1
1216 1 95 TYR HA 1 96 ILE HB . . 5.040 4.608 4.284 4.999 . 0 0 "[ . 1 . 2]" 1
1217 1 95 TYR HA 1 99 LYS H . . 4.660 4.532 4.360 4.731 0.071 1 0 "[ . 1 . 2]" 1
1218 1 95 TYR HA 1 100 GLU HA . . 3.450 2.326 1.937 3.171 . 0 0 "[ . 1 . 2]" 1
1219 1 95 TYR HA 1 101 VAL H . . 3.630 2.844 2.461 3.381 . 0 0 "[ . 1 . 2]" 1
1220 1 95 TYR HA 1 101 VAL QG . . 3.650 2.890 2.509 3.441 . 0 0 "[ . 1 . 2]" 1
1221 1 95 TYR HA 1 102 ASN H . . 5.100 4.512 4.002 5.162 0.062 17 0 "[ . 1 . 2]" 1
1222 1 95 TYR HB3 1 96 ILE H . . 3.810 2.763 2.538 3.143 . 0 0 "[ . 1 . 2]" 1
1223 1 95 TYR HB3 1 99 LYS H . . 4.160 3.757 3.094 4.215 0.055 17 0 "[ . 1 . 2]" 1
1224 1 95 TYR QR 1 96 ILE H . . 3.770 3.723 3.161 3.878 0.108 2 0 "[ . 1 . 2]" 1
1225 1 95 TYR QR 1 99 LYS H . . 3.850 3.686 3.040 3.954 0.104 2 0 "[ . 1 . 2]" 1
1226 1 95 TYR QR 1 99 LYS HA . . 3.810 3.414 2.804 3.883 0.073 2 0 "[ . 1 . 2]" 1
1227 1 95 TYR QR 1 100 GLU H . . 3.700 3.319 2.941 3.777 0.077 18 0 "[ . 1 . 2]" 1
1228 1 95 TYR QR 1 100 GLU HA . . 3.380 2.770 2.424 3.401 0.021 17 0 "[ . 1 . 2]" 1
1229 1 95 TYR QR 1 100 GLU HB3 . . 4.410 3.595 2.416 4.261 . 0 0 "[ . 1 . 2]" 1
1230 1 95 TYR QR 1 100 GLU HG3 . . 5.390 3.616 2.895 4.698 . 0 0 "[ . 1 . 2]" 1
1231 1 95 TYR QR 1 101 VAL H . . 5.140 4.417 3.922 4.894 . 0 0 "[ . 1 . 2]" 1
1232 1 96 ILE H 1 96 ILE HB . . 3.430 2.795 2.588 2.988 . 0 0 "[ . 1 . 2]" 1
1233 1 96 ILE H 1 96 ILE MD . . 4.860 4.370 4.221 4.498 . 0 0 "[ . 1 . 2]" 1
1234 1 96 ILE H 1 96 ILE HG13 . . 4.960 3.151 2.939 3.365 . 0 0 "[ . 1 . 2]" 1
1235 1 96 ILE H 1 96 ILE MG . . 4.420 3.923 3.776 4.005 . 0 0 "[ . 1 . 2]" 1
1236 1 96 ILE H 1 97 ASP H . . 5.010 4.035 3.405 4.226 . 0 0 "[ . 1 . 2]" 1
1237 1 96 ILE H 1 99 LYS H . . 3.920 2.883 2.657 3.095 . 0 0 "[ . 1 . 2]" 1
1238 1 96 ILE H 1 99 LYS HB3 . . 4.520 4.480 3.352 4.655 0.135 17 0 "[ . 1 . 2]" 1
1239 1 96 ILE H 1 100 GLU HA . . 4.510 3.848 3.422 4.564 0.054 20 0 "[ . 1 . 2]" 1
1240 1 96 ILE H 1 101 VAL H . . 4.520 4.357 4.071 4.589 0.069 11 0 "[ . 1 . 2]" 1
1241 1 96 ILE H 1 101 VAL QG . . 3.680 2.969 2.625 3.403 . 0 0 "[ . 1 . 2]" 1
1242 1 96 ILE HA 1 96 ILE HG13 . . 4.080 3.164 2.926 3.349 . 0 0 "[ . 1 . 2]" 1
1243 1 96 ILE HA 1 96 ILE MG . . 3.320 2.460 2.227 2.677 . 0 0 "[ . 1 . 2]" 1
1244 1 96 ILE HA 1 97 ASP H . . 2.920 2.170 2.073 2.316 . 0 0 "[ . 1 . 2]" 1
1245 1 96 ILE HB 1 96 ILE MD . . 3.500 2.463 2.329 2.609 . 0 0 "[ . 1 . 2]" 1
1246 1 96 ILE HB 1 97 ASP H . . 5.050 4.288 3.964 4.522 . 0 0 "[ . 1 . 2]" 1
1247 1 96 ILE HB 1 99 LYS H . . 4.810 4.372 3.913 4.704 . 0 0 "[ . 1 . 2]" 1
1248 1 96 ILE HB 1 101 VAL QG . . 3.400 2.633 2.123 3.275 . 0 0 "[ . 1 . 2]" 1
1249 1 96 ILE HB 1 123 THR HB . . 5.150 5.060 4.640 5.227 0.077 12 0 "[ . 1 . 2]" 1
1250 1 96 ILE MD 1 96 ILE MG . . 3.220 2.055 1.993 2.080 . 0 0 "[ . 1 . 2]" 1
1251 1 96 ILE MD 1 101 VAL HB . . 4.910 3.829 3.502 4.559 . 0 0 "[ . 1 . 2]" 1
1252 1 96 ILE MD 1 123 THR HB . . 3.630 2.406 2.034 3.465 . 0 0 "[ . 1 . 2]" 1
1253 1 96 ILE MD 1 124 LYS H . . 5.140 4.759 3.942 5.188 0.048 6 0 "[ . 1 . 2]" 1
1254 1 96 ILE MD 1 124 LYS HB3 . . 5.420 5.175 3.525 5.525 0.105 8 0 "[ . 1 . 2]" 1
1255 1 96 ILE HG13 1 96 ILE MG . . 3.610 3.232 3.201 3.274 . 0 0 "[ . 1 . 2]" 1
1256 1 96 ILE HG13 1 97 ASP H . . 5.500 5.180 5.003 5.309 . 0 0 "[ . 1 . 2]" 1
1257 1 96 ILE HG13 1 101 VAL QG . . 3.910 2.081 1.854 2.418 . 0 0 "[ . 1 . 2]" 1
1258 1 96 ILE HG13 1 123 THR HB . . 4.910 2.820 2.318 3.124 . 0 0 "[ . 1 . 2]" 1
1259 1 96 ILE HG13 1 123 THR MG . . 4.680 3.240 2.584 4.177 . 0 0 "[ . 1 . 2]" 1
1260 1 96 ILE MG 1 97 ASP H . . 3.720 2.951 2.468 3.766 0.046 14 0 "[ . 1 . 2]" 1
1261 1 96 ILE MG 1 99 LYS H . . 5.500 4.739 4.390 5.130 . 0 0 "[ . 1 . 2]" 1
1262 1 97 ASP H 1 98 ASP HA . . 5.500 5.326 4.725 5.586 0.086 14 0 "[ . 1 . 2]" 1
1263 1 97 ASP H 1 99 LYS H . . 5.460 4.474 4.227 4.761 . 0 0 "[ . 1 . 2]" 1
1264 1 97 ASP HA 1 98 ASP HA . . 4.770 4.596 4.361 4.740 . 0 0 "[ . 1 . 2]" 1
1265 1 98 ASP H 1 98 ASP HB3 . . 3.950 3.350 2.725 4.030 0.080 13 0 "[ . 1 . 2]" 1
1266 1 98 ASP HB3 1 99 LYS H . . 4.550 4.062 3.126 4.618 0.068 4 0 "[ . 1 . 2]" 1
1267 1 99 LYS H 1 99 LYS HB3 . . 3.760 3.475 2.722 3.813 0.053 10 0 "[ . 1 . 2]" 1
1268 1 99 LYS H 1 99 LYS HG3 . . 4.530 3.929 3.131 4.591 0.061 14 0 "[ . 1 . 2]" 1
1269 1 99 LYS H 1 100 GLU H . . 5.080 4.452 4.325 4.655 . 0 0 "[ . 1 . 2]" 1
1270 1 99 LYS HA 1 99 LYS HG3 . . 4.200 3.186 2.229 3.896 . 0 0 "[ . 1 . 2]" 1
1271 1 99 LYS HA 1 100 GLU H . . 2.880 2.287 2.151 2.434 . 0 0 "[ . 1 . 2]" 1
1272 1 99 LYS HA 1 100 GLU HA . . 4.430 4.437 4.277 4.498 0.068 12 0 "[ . 1 . 2]" 1
1273 1 99 LYS HA 1 100 GLU HB3 . . 4.780 4.640 4.401 4.970 0.190 9 0 "[ . 1 . 2]" 1
1274 1 99 LYS HB3 1 100 GLU H . . 4.370 2.914 2.289 4.109 . 0 0 "[ . 1 . 2]" 1
1275 1 99 LYS HG3 1 100 GLU H . . 4.510 4.397 3.463 4.730 0.220 11 0 "[ . 1 . 2]" 1
1276 1 100 GLU H 1 100 GLU HB3 . . 3.280 2.554 2.191 2.752 . 0 0 "[ . 1 . 2]" 1
1277 1 100 GLU H 1 100 GLU HG3 . . 4.770 4.474 3.969 4.805 0.035 3 0 "[ . 1 . 2]" 1
1278 1 100 GLU HA 1 100 GLU HG3 . . 4.090 3.086 2.381 4.172 0.082 19 0 "[ . 1 . 2]" 1
1279 1 100 GLU HA 1 101 VAL H . . 3.020 2.271 2.107 2.363 . 0 0 "[ . 1 . 2]" 1
1280 1 100 GLU HA 1 101 VAL QG . . 4.200 3.402 3.139 4.026 . 0 0 "[ . 1 . 2]" 1
1281 1 100 GLU HA 1 102 ASN H . . 3.980 3.812 3.491 4.043 0.063 10 0 "[ . 1 . 2]" 1
1282 1 100 GLU HG3 1 101 VAL H . . 4.330 3.888 3.114 4.624 0.294 17 0 "[ . 1 . 2]" 1
1283 1 100 GLU HG3 1 102 ASN H . . 3.980 3.913 2.954 4.164 0.184 5 0 "[ . 1 . 2]" 1
1284 1 101 VAL H 1 101 VAL HB . . 4.200 3.738 2.444 3.986 . 0 0 "[ . 1 . 2]" 1
1285 1 101 VAL H 1 101 VAL QG . . 3.160 2.281 2.096 2.452 . 0 0 "[ . 1 . 2]" 1
1286 1 101 VAL H 1 102 ASN H . . 2.900 2.021 1.819 2.401 . 0 0 "[ . 1 . 2]" 1
1287 1 101 VAL HA 1 101 VAL HB . . 2.930 2.425 2.357 2.698 . 0 0 "[ . 1 . 2]" 1
1288 1 101 VAL HA 1 101 VAL QG . . 2.940 2.322 2.130 2.383 . 0 0 "[ . 1 . 2]" 1
1289 1 101 VAL QG 1 102 ASN H . . 3.790 2.995 2.600 3.235 . 0 0 "[ . 1 . 2]" 1
1290 1 101 VAL QG 1 123 THR HA . . 3.470 2.907 2.238 3.539 0.069 12 0 "[ . 1 . 2]" 1
1291 1 101 VAL QG 1 123 THR HB . . 3.330 2.869 2.094 3.376 0.046 12 0 "[ . 1 . 2]" 1
1292 1 102 ASN H 1 103 ARG H . . 4.280 4.182 3.572 4.353 0.073 10 0 "[ . 1 . 2]" 1
1293 1 102 ASN HA 1 103 ARG H . . 2.800 2.252 2.052 2.322 . 0 0 "[ . 1 . 2]" 1
1294 1 102 ASN HA 1 103 ARG HB3 . . 5.270 4.773 4.141 5.093 . 0 0 "[ . 1 . 2]" 1
1295 1 102 ASN HB3 1 102 ASN HD22 . . 3.570 3.805 3.540 4.063 0.493 7 0 "[ . 1 . 2]" 1
1296 1 102 ASN HB3 1 103 ARG H . . 4.010 3.838 3.030 4.087 0.077 17 0 "[ . 1 . 2]" 1
1297 1 102 ASN HB3 1 121 VAL QG . . 3.680 2.700 2.393 3.084 . 0 0 "[ . 1 . 2]" 1
1298 1 102 ASN HD21 1 103 ARG H . . 5.500 5.084 3.152 5.527 0.027 2 0 "[ . 1 . 2]" 1
1299 1 102 ASN HD21 1 121 VAL HA . . 4.870 3.728 2.762 4.480 . 0 0 "[ . 1 . 2]" 1
1300 1 102 ASN HD21 1 121 VAL QG . . 4.230 2.920 2.002 3.721 . 0 0 "[ . 1 . 2]" 1
1301 1 102 ASN HD21 1 122 SER H . . 4.350 3.268 2.241 4.086 . 0 0 "[ . 1 . 2]" 1
1302 1 102 ASN HD21 1 123 THR HA . . 4.790 3.503 3.007 4.950 0.160 18 0 "[ . 1 . 2]" 1
1303 1 102 ASN HD22 1 103 ARG H . . 5.500 4.968 4.074 5.562 0.062 6 0 "[ . 1 . 2]" 1
1304 1 102 ASN HD22 1 121 VAL HA . . 5.050 3.269 2.731 4.795 . 0 0 "[ . 1 . 2]" 1
1305 1 102 ASN HD22 1 121 VAL QG . . 3.900 3.181 2.507 4.073 0.173 3 0 "[ . 1 . 2]" 1
1306 1 102 ASN HD22 1 122 SER H . . 4.030 3.099 2.268 4.383 0.353 3 0 "[ . 1 . 2]" 1
1307 1 102 ASN HD22 1 123 THR HA . . 4.870 4.761 2.911 4.887 0.017 12 0 "[ . 1 . 2]" 1
1308 1 103 ARG H 1 103 ARG HB3 . . 3.750 3.433 2.810 3.806 0.056 6 0 "[ . 1 . 2]" 1
1309 1 103 ARG H 1 104 LEU H . . 4.490 4.116 3.701 4.388 . 0 0 "[ . 1 . 2]" 1
1310 1 103 ARG H 1 104 LEU HA . . 5.280 4.832 4.653 5.049 . 0 0 "[ . 1 . 2]" 1
1311 1 103 ARG H 1 121 VAL QG . . 5.500 4.235 3.426 4.762 . 0 0 "[ . 1 . 2]" 1
1312 1 103 ARG HA 1 104 LEU H . . 2.870 2.151 2.022 2.427 . 0 0 "[ . 1 . 2]" 1
1313 1 103 ARG HA 1 104 LEU HG . . 4.240 4.320 4.301 4.333 0.093 4 0 "[ . 1 . 2]" 1
1314 1 103 ARG HB3 1 104 LEU H . . 4.430 4.102 3.636 4.502 0.072 20 0 "[ . 1 . 2]" 1
1315 1 104 LEU H 1 104 LEU MD1 . . 4.640 3.850 3.633 4.250 . 0 0 "[ . 1 . 2]" 1
1316 1 104 LEU H 1 104 LEU HG . . 4.060 2.615 2.443 2.840 . 0 0 "[ . 1 . 2]" 1
1317 1 104 LEU H 1 105 GLU H . . 4.680 4.322 3.854 4.421 . 0 0 "[ . 1 . 2]" 1
1318 1 104 LEU H 1 121 VAL QG . . 4.530 3.512 3.106 4.197 . 0 0 "[ . 1 . 2]" 1
1319 1 104 LEU HA 1 104 LEU QD . . 3.610 3.448 3.395 3.491 . 0 0 "[ . 1 . 2]" 1
1320 1 104 LEU HA 1 104 LEU HG . . 3.720 3.689 3.605 3.767 0.047 19 0 "[ . 1 . 2]" 1
1321 1 104 LEU HA 1 105 GLU H . . 2.760 2.451 2.112 2.638 . 0 0 "[ . 1 . 2]" 1
1322 1 104 LEU QD 1 106 LYS HA . . 4.320 4.293 3.885 4.444 0.124 15 0 "[ . 1 . 2]" 1
1323 1 104 LEU MD1 1 105 GLU H . . 3.980 2.965 2.516 4.081 0.101 17 0 "[ . 1 . 2]" 1
1324 1 104 LEU HG 1 105 GLU HA . . 4.780 4.754 4.210 4.871 0.091 9 0 "[ . 1 . 2]" 1
1325 1 105 GLU H 1 105 GLU HB3 . . 3.440 3.729 3.519 3.896 0.456 4 0 "[ . 1 . 2]" 1
1326 1 105 GLU H 1 106 LYS H . . 4.540 4.372 4.190 4.601 0.061 5 0 "[ . 1 . 2]" 1
1327 1 105 GLU HA 1 105 GLU HG3 . . 4.140 2.768 2.233 3.690 . 0 0 "[ . 1 . 2]" 1
1328 1 105 GLU HA 1 106 LYS H . . 2.730 2.429 2.258 2.596 . 0 0 "[ . 1 . 2]" 1
1329 1 105 GLU HB3 1 106 LYS H . . 4.500 2.716 2.260 3.508 . 0 0 "[ . 1 . 2]" 1
1330 1 106 LYS H 1 106 LYS HB3 . . 3.810 3.408 2.946 3.889 0.079 11 0 "[ . 1 . 2]" 1
1331 1 106 LYS H 1 107 GLU H . . 4.660 4.331 4.206 4.497 . 0 0 "[ . 1 . 2]" 1
1332 1 106 LYS HA 1 107 GLU H . . 2.640 2.450 2.187 2.614 . 0 0 "[ . 1 . 2]" 1
1333 1 106 LYS HB3 1 107 GLU H . . 3.970 2.844 2.019 3.460 . 0 0 "[ . 1 . 2]" 1
1334 1 106 LYS HB3 1 108 TYR QE . . 4.320 3.069 2.295 3.679 . 0 0 "[ . 1 . 2]" 1
1335 1 107 GLU H 1 107 GLU HB3 . . 3.450 2.957 2.679 3.425 . 0 0 "[ . 1 . 2]" 1
1336 1 107 GLU H 1 108 TYR H . . 4.870 4.266 4.047 4.443 . 0 0 "[ . 1 . 2]" 1
1337 1 107 GLU HA 1 108 TYR H . . 2.900 2.278 2.171 2.379 . 0 0 "[ . 1 . 2]" 1
1338 1 107 GLU HA 1 108 TYR HB3 . . 5.500 5.658 5.313 5.850 0.350 9 0 "[ . 1 . 2]" 1
1339 1 107 GLU HB3 1 108 TYR H . . 4.460 4.021 3.672 4.206 . 0 0 "[ . 1 . 2]" 1
1340 1 107 GLU HB3 1 108 TYR HA . . 4.540 4.780 4.550 5.917 1.377 14 3 "[ - . 1 +. * 2]" 1
1341 1 108 TYR H 1 108 TYR HB3 . . 3.860 3.854 3.744 3.969 0.109 15 0 "[ . 1 . 2]" 1
1342 1 108 TYR H 1 108 TYR QD . . 3.150 3.088 2.835 3.249 0.099 5 0 "[ . 1 . 2]" 1
1343 1 108 TYR H 1 108 TYR QE . . 4.890 4.864 4.642 4.969 0.079 9 0 "[ . 1 . 2]" 1
1344 1 108 TYR HA 1 108 TYR QD . . 2.930 2.908 2.668 3.039 0.109 11 0 "[ . 1 . 2]" 1
1345 1 108 TYR HA 1 109 ILE H . . 2.840 2.340 2.239 2.420 . 0 0 "[ . 1 . 2]" 1
1346 1 108 TYR HA 1 109 ILE HA . . 4.460 4.518 4.475 4.537 0.077 5 0 "[ . 1 . 2]" 1
1347 1 108 TYR HA 1 109 ILE HB . . 4.830 4.631 4.163 4.906 0.076 11 0 "[ . 1 . 2]" 1
1348 1 108 TYR HA 1 109 ILE HG13 . . 3.880 3.695 3.316 3.927 0.047 11 0 "[ . 1 . 2]" 1
1349 1 108 TYR HB3 1 115 LEU QD . . 3.460 2.007 1.859 2.288 . 0 0 "[ . 1 . 2]" 1
1350 1 108 TYR QD 1 109 ILE H . . 4.470 4.328 4.035 4.553 0.083 19 0 "[ . 1 . 2]" 1
1351 1 108 TYR QD 1 115 LEU QD . . 3.540 2.916 2.078 3.307 . 0 0 "[ . 1 . 2]" 1
1352 1 108 TYR QD 1 117 GLU HG3 . . 4.600 2.883 2.174 4.647 0.047 15 0 "[ . 1 . 2]" 1
1353 1 108 TYR QE 1 115 LEU QD . . 5.050 4.012 2.817 4.497 . 0 0 "[ . 1 . 2]" 1
1354 1 108 TYR QE 1 117 GLU HA . . 4.550 4.645 4.627 4.665 0.115 15 0 "[ . 1 . 2]" 1
1355 1 108 TYR QE 1 117 GLU HB3 . . 4.100 2.411 2.122 3.463 . 0 0 "[ . 1 . 2]" 1
1356 1 108 TYR QE 1 117 GLU HG3 . . 4.420 2.320 1.910 3.678 . 0 0 "[ . 1 . 2]" 1
1357 1 108 TYR QE 1 118 THR H . . 5.500 4.424 3.874 5.596 0.096 11 0 "[ . 1 . 2]" 1
1358 1 109 ILE H 1 109 ILE HB . . 3.430 2.876 2.534 3.060 . 0 0 "[ . 1 . 2]" 1
1359 1 109 ILE H 1 109 ILE MD . . 4.540 4.390 4.137 4.597 0.057 12 0 "[ . 1 . 2]" 1
1360 1 109 ILE H 1 109 ILE HG13 . . 4.220 3.162 2.807 3.406 . 0 0 "[ . 1 . 2]" 1
1361 1 109 ILE H 1 109 ILE MG . . 4.000 3.945 3.780 4.040 0.040 8 0 "[ . 1 . 2]" 1
1362 1 109 ILE H 1 110 THR H . . 5.230 4.232 3.999 4.420 . 0 0 "[ . 1 . 2]" 1
1363 1 109 ILE H 1 115 LEU QD . . 4.520 2.834 2.369 3.652 . 0 0 "[ . 1 . 2]" 1
1364 1 109 ILE HA 1 109 ILE MD . . 4.360 3.899 3.704 3.997 . 0 0 "[ . 1 . 2]" 1
1365 1 109 ILE HA 1 109 ILE HG13 . . 3.870 3.232 2.931 3.392 . 0 0 "[ . 1 . 2]" 1
1366 1 109 ILE HA 1 109 ILE MG . . 3.220 2.442 2.251 2.703 . 0 0 "[ . 1 . 2]" 1
1367 1 109 ILE HA 1 110 THR H . . 2.930 2.270 2.139 2.408 . 0 0 "[ . 1 . 2]" 1
1368 1 109 ILE HA 1 110 THR HA . . 4.920 4.482 4.398 4.544 . 0 0 "[ . 1 . 2]" 1
1369 1 109 ILE HA 1 110 THR MG . . 4.580 4.106 3.744 4.644 0.064 18 0 "[ . 1 . 2]" 1
1370 1 109 ILE HB 1 110 THR H . . 4.590 4.050 3.753 4.385 . 0 0 "[ . 1 . 2]" 1
1371 1 109 ILE MD 1 110 THR H . . 5.040 5.059 4.770 5.142 0.102 11 0 "[ . 1 . 2]" 1
1372 1 109 ILE HG13 1 109 ILE MG . . 3.630 3.244 3.206 3.266 . 0 0 "[ . 1 . 2]" 1
1373 1 109 ILE HG13 1 110 THR H . . 5.210 5.215 4.950 5.289 0.079 18 0 "[ . 1 . 2]" 1
1374 1 109 ILE MG 1 110 THR H . . 3.510 2.509 2.182 3.137 . 0 0 "[ . 1 . 2]" 1
1375 1 110 THR H 1 110 THR MG . . 3.360 2.737 2.425 3.207 . 0 0 "[ . 1 . 2]" 1
1376 1 110 THR H 1 115 LEU QD . . 5.470 3.680 3.319 4.814 . 0 0 "[ . 1 . 2]" 1
1377 1 110 THR HA 1 110 THR MG . . 3.300 2.313 2.198 2.421 . 0 0 "[ . 1 . 2]" 1
1378 1 110 THR HA 1 111 ASP H . . 2.900 2.225 2.146 2.302 . 0 0 "[ . 1 . 2]" 1
1379 1 110 THR HA 1 111 ASP HB3 . . 5.420 5.035 4.506 5.709 0.289 20 0 "[ . 1 . 2]" 1
1380 1 110 THR HA 1 112 GLY H . . 4.090 3.802 3.456 4.163 0.073 17 0 "[ . 1 . 2]" 1
1381 1 110 THR HA 1 113 ASN H . . 4.930 4.785 4.151 5.000 0.070 8 0 "[ . 1 . 2]" 1
1382 1 110 THR HA 1 115 LEU HB3 . . 5.500 4.989 4.378 5.572 0.072 11 0 "[ . 1 . 2]" 1
1383 1 110 THR HB 1 111 ASP H . . 3.710 3.149 2.875 3.451 . 0 0 "[ . 1 . 2]" 1
1384 1 110 THR HB 1 112 GLY H . . 3.770 2.841 2.467 3.248 . 0 0 "[ . 1 . 2]" 1
1385 1 110 THR MG 1 111 ASP H . . 4.110 3.701 3.288 4.077 . 0 0 "[ . 1 . 2]" 1
1386 1 110 THR MG 1 112 GLY H . . 4.400 4.034 3.153 4.482 0.082 19 0 "[ . 1 . 2]" 1
1387 1 110 THR MG 1 115 LEU H . . 5.500 3.785 3.142 4.741 . 0 0 "[ . 1 . 2]" 1
1388 1 111 ASP H 1 112 GLY H . . 3.190 2.326 2.004 2.968 . 0 0 "[ . 1 . 2]" 1
1389 1 111 ASP H 1 112 GLY HA2 . . 5.080 4.596 4.347 4.969 . 0 0 "[ . 1 . 2]" 1
1390 1 111 ASP H 1 113 ASN H . . 3.850 2.992 2.623 3.259 . 0 0 "[ . 1 . 2]" 1
1391 1 111 ASP HB3 1 112 GLY H . . 5.500 4.293 3.989 4.546 . 0 0 "[ . 1 . 2]" 1
1392 1 113 ASN H 1 113 ASN HB3 . . 3.170 3.554 3.075 3.598 0.428 18 0 "[ . 1 . 2]" 1
1393 1 113 ASN H 1 113 ASN HD21 . . 4.130 3.184 2.058 4.191 0.061 14 0 "[ . 1 . 2]" 1
1394 1 113 ASN H 1 113 ASN HD22 . . 4.890 4.060 3.185 4.978 0.088 8 0 "[ . 1 . 2]" 1
1395 1 113 ASN HA 1 113 ASN HD22 . . 5.500 4.330 3.637 4.975 . 0 0 "[ . 1 . 2]" 1
1396 1 113 ASN HA 1 114 THR H . . 3.130 2.526 2.261 2.953 . 0 0 "[ . 1 . 2]" 1
1397 1 113 ASN HB3 1 113 ASN HD21 . . 3.380 3.184 2.273 3.659 0.279 19 0 "[ . 1 . 2]" 1
1398 1 113 ASN HB3 1 113 ASN HD22 . . 3.960 3.941 3.532 4.166 0.206 12 0 "[ . 1 . 2]" 1
1399 1 113 ASN HB3 1 114 THR H . . 3.780 2.453 1.975 2.946 . 0 0 "[ . 1 . 2]" 1
1400 1 113 ASN HB3 1 114 THR HA . . 5.220 4.770 4.464 5.395 0.175 16 0 "[ . 1 . 2]" 1
1401 1 113 ASN HD21 1 114 THR H . . 5.500 5.174 3.865 5.571 0.071 9 0 "[ . 1 . 2]" 1
1402 1 114 THR H 1 114 THR HB . . 3.590 3.065 2.550 3.497 . 0 0 "[ . 1 . 2]" 1
1403 1 114 THR H 1 114 THR MG . . 4.260 3.357 2.489 3.923 . 0 0 "[ . 1 . 2]" 1
1404 1 114 THR HA 1 114 THR MG . . 3.180 2.210 2.105 2.318 . 0 0 "[ . 1 . 2]" 1
1405 1 114 THR HA 1 115 LEU H . . 2.920 2.201 2.052 2.519 . 0 0 "[ . 1 . 2]" 1
1406 1 114 THR HB 1 115 LEU H . . 4.270 3.828 2.635 4.334 0.064 14 0 "[ . 1 . 2]" 1
1407 1 114 THR HB 1 116 ILE HB . . 5.050 5.029 4.694 5.136 0.086 3 0 "[ . 1 . 2]" 1
1408 1 114 THR HB 1 116 ILE HG13 . . 5.360 3.354 2.641 4.755 . 0 0 "[ . 1 . 2]" 1
1409 1 114 THR MG 1 115 LEU H . . 3.500 3.186 2.207 3.606 0.106 18 0 "[ . 1 . 2]" 1
1410 1 115 LEU H 1 115 LEU HB3 . . 3.740 2.562 2.187 2.840 . 0 0 "[ . 1 . 2]" 1
1411 1 115 LEU H 1 115 LEU QD . . 5.080 3.812 3.635 3.961 . 0 0 "[ . 1 . 2]" 1
1412 1 115 LEU HA 1 115 LEU QD . . 3.990 2.662 2.151 3.098 . 0 0 "[ . 1 . 2]" 1
1413 1 115 LEU HA 1 116 ILE H . . 2.740 2.219 2.031 2.370 . 0 0 "[ . 1 . 2]" 1
1414 1 115 LEU HA 1 116 ILE HB . . 4.770 4.641 4.359 4.842 0.072 19 0 "[ . 1 . 2]" 1
1415 1 115 LEU QD 1 116 ILE H . . 4.070 2.546 1.698 3.274 . 0 0 "[ . 1 . 2]" 1
1416 1 115 LEU QD 1 116 ILE HA . . 3.900 3.079 2.635 3.747 . 0 0 "[ . 1 . 2]" 1
1417 1 115 LEU QD 1 117 GLU H . . 4.640 3.783 3.333 4.601 . 0 0 "[ . 1 . 2]" 1
1418 1 115 LEU QD 1 117 GLU HG3 . . 4.480 4.004 3.386 4.378 . 0 0 "[ . 1 . 2]" 1
1419 1 116 ILE H 1 116 ILE HB . . 3.580 3.039 2.650 3.372 . 0 0 "[ . 1 . 2]" 1
1420 1 116 ILE H 1 116 ILE MD . . 5.340 4.580 2.847 4.870 . 0 0 "[ . 1 . 2]" 1
1421 1 116 ILE H 1 116 ILE HG13 . . 4.420 3.526 3.250 4.486 0.066 8 0 "[ . 1 . 2]" 1
1422 1 116 ILE H 1 117 GLU H . . 4.780 4.053 3.889 4.206 . 0 0 "[ . 1 . 2]" 1
1423 1 116 ILE H 1 117 GLU HG3 . . 5.130 5.211 5.184 5.389 0.259 15 0 "[ . 1 . 2]" 1
1424 1 116 ILE HA 1 116 ILE MD . . 3.870 3.746 2.520 3.959 0.089 15 0 "[ . 1 . 2]" 1
1425 1 116 ILE HA 1 116 ILE HG13 . . 4.080 3.121 2.547 3.716 . 0 0 "[ . 1 . 2]" 1
1426 1 116 ILE HA 1 116 ILE MG . . 3.330 2.448 2.327 2.715 . 0 0 "[ . 1 . 2]" 1
1427 1 116 ILE HA 1 117 GLU H . . 3.100 2.190 2.085 2.308 . 0 0 "[ . 1 . 2]" 1
1428 1 116 ILE HB 1 117 GLU H . . 4.450 3.981 3.594 4.203 . 0 0 "[ . 1 . 2]" 1
1429 1 116 ILE HG13 1 116 ILE MG . . 3.490 3.140 2.391 3.230 . 0 0 "[ . 1 . 2]" 1
1430 1 116 ILE HG13 1 117 GLU H . . 4.920 4.976 4.536 5.013 0.093 4 0 "[ . 1 . 2]" 1
1431 1 116 ILE MG 1 117 GLU H . . 3.730 2.372 2.088 2.759 . 0 0 "[ . 1 . 2]" 1
1432 1 117 GLU H 1 117 GLU HB3 . . 4.130 3.688 3.534 3.894 . 0 0 "[ . 1 . 2]" 1
1433 1 117 GLU H 1 117 GLU HG3 . . 5.140 4.892 2.872 5.156 0.016 7 0 "[ . 1 . 2]" 1
1434 1 117 GLU H 1 118 THR H . . 4.900 4.394 4.281 4.511 . 0 0 "[ . 1 . 2]" 1
1435 1 117 GLU HA 1 117 GLU HG3 . . 4.090 3.515 3.418 4.082 . 0 0 "[ . 1 . 2]" 1
1436 1 117 GLU HA 1 118 THR H . . 2.760 2.527 2.393 2.623 . 0 0 "[ . 1 . 2]" 1
1437 1 117 GLU HA 1 118 THR MG . . 4.500 3.670 3.393 4.079 . 0 0 "[ . 1 . 2]" 1
1438 1 117 GLU HB3 1 118 THR H . . 3.480 2.731 2.470 3.877 0.397 15 0 "[ . 1 . 2]" 1
1439 1 117 GLU HG3 1 118 THR H . . 4.490 4.201 3.673 4.499 0.009 4 0 "[ . 1 . 2]" 1
1440 1 118 THR H 1 118 THR MG . . 3.470 3.257 3.071 3.398 . 0 0 "[ . 1 . 2]" 1
1441 1 118 THR H 1 119 PHE H . . 4.720 4.346 4.237 4.414 . 0 0 "[ . 1 . 2]" 1
1442 1 118 THR HA 1 118 THR MG . . 3.140 2.355 2.272 2.435 . 0 0 "[ . 1 . 2]" 1
1443 1 118 THR HA 1 119 PHE H . . 2.830 2.260 2.155 2.364 . 0 0 "[ . 1 . 2]" 1
1444 1 118 THR HA 1 119 PHE QD . . 4.340 3.223 2.749 3.797 . 0 0 "[ . 1 . 2]" 1
1445 1 118 THR HB 1 119 PHE H . . 3.040 2.543 2.220 2.926 . 0 0 "[ . 1 . 2]" 1
1446 1 118 THR MG 1 119 PHE H . . 3.830 3.619 3.314 3.849 0.019 9 0 "[ . 1 . 2]" 1
1447 1 119 PHE H 1 119 PHE QD . . 3.630 3.012 2.296 3.411 . 0 0 "[ . 1 . 2]" 1
1448 1 119 PHE H 1 119 PHE QE . . 4.590 4.336 4.118 4.505 . 0 0 "[ . 1 . 2]" 1
1449 1 119 PHE H 1 120 SER H . . 5.450 4.426 4.321 4.506 . 0 0 "[ . 1 . 2]" 1
1450 1 119 PHE H 1 120 SER HA . . 5.050 4.800 4.615 5.054 0.004 15 0 "[ . 1 . 2]" 1
1451 1 119 PHE HA 1 119 PHE QD . . 4.010 3.758 3.716 3.788 . 0 0 "[ . 1 . 2]" 1
1452 1 119 PHE HA 1 120 SER H . . 2.910 2.519 2.440 2.660 . 0 0 "[ . 1 . 2]" 1
1453 1 119 PHE QD 1 120 SER H . . 3.990 3.391 3.010 3.976 . 0 0 "[ . 1 . 2]" 1
1454 1 119 PHE QD 1 120 SER HA . . 3.640 3.411 2.733 3.737 0.097 4 0 "[ . 1 . 2]" 1
1455 1 119 PHE QD 1 121 VAL H . . 4.760 4.299 3.324 4.723 . 0 0 "[ . 1 . 2]" 1
1456 1 119 PHE QD 1 121 VAL QG . . 3.760 3.264 2.603 3.734 . 0 0 "[ . 1 . 2]" 1
1457 1 120 SER H 1 121 VAL QG . . 4.840 3.622 2.951 4.590 . 0 0 "[ . 1 . 2]" 1
1458 1 120 SER HA 1 121 VAL H . . 2.800 2.137 2.000 2.247 . 0 0 "[ . 1 . 2]" 1
1459 1 120 SER HA 1 121 VAL HB . . 4.810 4.310 3.797 4.920 0.110 10 0 "[ . 1 . 2]" 1
1460 1 120 SER HA 1 121 VAL QG . . 5.340 3.631 3.082 4.011 . 0 0 "[ . 1 . 2]" 1
1461 1 121 VAL H 1 121 VAL HB . . 3.490 2.828 2.437 3.579 0.089 10 0 "[ . 1 . 2]" 1
1462 1 121 VAL H 1 121 VAL QG . . 3.960 2.839 2.253 3.133 . 0 0 "[ . 1 . 2]" 1
1463 1 121 VAL H 1 122 SER H . . 4.880 3.870 3.515 4.471 . 0 0 "[ . 1 . 2]" 1
1464 1 121 VAL HA 1 121 VAL QG . . 3.230 2.178 2.056 2.471 . 0 0 "[ . 1 . 2]" 1
1465 1 121 VAL HA 1 122 SER H . . 2.680 2.216 2.134 2.389 . 0 0 "[ . 1 . 2]" 1
1466 1 121 VAL HA 1 122 SER HA . . 5.150 4.487 4.426 4.568 . 0 0 "[ . 1 . 2]" 1
1467 1 121 VAL HB 1 122 SER H . . 4.540 4.456 3.031 4.614 0.074 1 0 "[ . 1 . 2]" 1
1468 1 121 VAL QG 1 122 SER H . . 3.500 3.264 2.513 3.463 . 0 0 "[ . 1 . 2]" 1
1469 1 121 VAL QG 1 122 SER HA . . 4.570 3.955 3.525 4.329 . 0 0 "[ . 1 . 2]" 1
1470 1 122 SER H 1 122 SER HB3 . . 4.110 3.540 2.485 3.895 . 0 0 "[ . 1 . 2]" 1
1471 1 122 SER HA 1 123 THR H . . 3.000 2.405 2.168 2.828 . 0 0 "[ . 1 . 2]" 1
1472 1 122 SER HA 1 123 THR MG . . 5.080 3.980 3.369 4.667 . 0 0 "[ . 1 . 2]" 1
1473 1 122 SER HA 1 124 LYS H . . 4.360 4.085 3.631 4.448 0.088 20 0 "[ . 1 . 2]" 1
1474 1 122 SER HB3 1 123 THR H . . 4.280 3.205 2.363 3.743 . 0 0 "[ . 1 . 2]" 1
1475 1 122 SER HB3 1 124 LYS H . . 4.260 3.329 2.712 4.076 . 0 0 "[ . 1 . 2]" 1
1476 1 123 THR H 1 123 THR MG . . 3.490 2.973 2.408 3.403 . 0 0 "[ . 1 . 2]" 1
1477 1 123 THR H 1 124 LYS H . . 3.340 2.687 1.709 3.290 . 0 0 "[ . 1 . 2]" 1
1478 1 123 THR HA 1 123 THR MG . . 3.210 2.321 2.080 2.659 . 0 0 "[ . 1 . 2]" 1
1479 1 123 THR HB 1 124 LYS H . . 4.980 4.401 3.929 4.621 . 0 0 "[ . 1 . 2]" 1
1480 1 123 THR MG 1 124 LYS H . . 4.510 4.510 4.324 4.591 0.081 9 0 "[ . 1 . 2]" 1
1481 1 124 LYS H 1 124 LYS HB3 . . 3.650 3.379 2.813 3.647 . 0 0 "[ . 1 . 2]" 1
1482 1 124 LYS H 1 125 GLU H . . 4.000 3.847 2.959 4.082 0.082 15 0 "[ . 1 . 2]" 1
1483 1 124 LYS HA 1 125 GLU H . . 2.730 2.183 2.066 2.305 . 0 0 "[ . 1 . 2]" 1
1484 1 124 LYS HB3 1 125 GLU H . . 3.930 3.865 3.396 4.409 0.479 20 0 "[ . 1 . 2]" 1
1485 1 125 GLU H 1 125 GLU HB3 . . 3.220 3.618 3.226 3.994 0.774 20 9 "[ * *. * -*. ***+]" 1
1486 1 125 GLU H 1 126 ILE H . . 4.270 4.082 2.651 4.358 0.088 18 0 "[ . 1 . 2]" 1
1487 1 125 GLU HA 1 126 ILE H . . 2.720 2.369 1.904 2.799 0.079 8 0 "[ . 1 . 2]" 1
1488 1 125 GLU HA 1 126 ILE HG13 . . 5.500 4.310 3.224 5.551 0.051 5 0 "[ . 1 . 2]" 1
1489 1 126 ILE H 1 126 ILE HB . . 3.640 3.396 2.432 3.724 0.084 10 0 "[ . 1 . 2]" 1
1490 1 126 ILE H 1 126 ILE MD . . 4.550 3.638 1.894 4.601 0.051 10 0 "[ . 1 . 2]" 1
1491 1 126 ILE H 1 126 ILE HG13 . . 4.090 2.899 1.963 4.172 0.082 19 0 "[ . 1 . 2]" 1
1492 1 126 ILE HA 1 126 ILE MD . . 4.780 3.760 2.279 4.206 . 0 0 "[ . 1 . 2]" 1
stop_
save_