NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575468 |
2mmb   |
19851 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mmb
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 1457
_Distance_constraint_stats_list.Viol_count 3659
_Distance_constraint_stats_list.Viol_total 15685.680
_Distance_constraint_stats_list.Viol_max 1.823
_Distance_constraint_stats_list.Viol_rms 0.1322
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0269
_Distance_constraint_stats_list.Viol_average_violations_only 0.2143
_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 ASP 0.061 0.054 13 0 "[ . 1 . 2]"
1 4 PHE 0.061 0.054 13 0 "[ . 1 . 2]"
1 5 GLY 0.339 0.082 5 0 "[ . 1 . 2]"
1 6 THR 1.247 0.090 18 0 "[ . 1 . 2]"
1 7 THR 1.245 0.100 1 0 "[ . 1 . 2]"
1 8 ASN 1.071 0.100 1 0 "[ . 1 . 2]"
1 9 ASN 0.837 0.091 6 0 "[ . 1 . 2]"
1 10 PHE 0.654 0.091 6 0 "[ . 1 . 2]"
1 11 VAL 0.729 0.075 11 0 "[ . 1 . 2]"
1 12 SER 0.893 0.397 17 0 "[ . 1 . 2]"
1 13 PRO 0.987 0.397 17 0 "[ . 1 . 2]"
1 14 ASN 7.414 1.064 18 4 "[ - . 1 * .* + 2]"
1 15 LEU 9.684 1.412 18 7 "[ * * ** 1 * . + -]"
1 16 GLN 2.867 0.826 13 1 "[ . 1 + . 2]"
1 17 LEU 10.430 1.064 18 4 "[ - . 1 * .* + 2]"
1 18 LYS 20.352 1.412 18 8 "[* * * ** 1 * . + -]"
1 19 GLN 1.933 0.091 2 0 "[ . 1 . 2]"
1 20 ASN 4.609 0.098 1 0 "[ . 1 . 2]"
1 21 VAL 2.274 0.098 1 0 "[ . 1 . 2]"
1 22 LEU 2.739 0.609 5 1 "[ + 1 . 2]"
1 23 PRO 0.481 0.100 16 0 "[ . 1 . 2]"
1 24 PRO 20.959 1.361 4 15 "[***+* ***- * **** *2]"
1 25 THR 3.857 0.150 11 0 "[ . 1 . 2]"
1 26 PRO 35.813 1.415 14 20 [***********-*+******]
1 27 LYS 36.211 1.415 14 20 [-************+******]
1 28 ASN 43.132 1.253 20 20 [***********-*******+]
1 29 ILE 38.665 1.050 12 20 [**-********+********]
1 30 PRO 60.065 1.748 3 20 [**+*********-*******]
1 31 LEU 3.107 0.609 5 1 "[ + 1 . 2]"
1 32 PRO 66.956 1.748 3 20 [**+*********-*******]
1 33 ALA 12.940 0.440 1 0 "[ . 1 . 2]"
1 34 PHE 13.268 0.350 18 0 "[ . 1 . 2]"
1 35 GLY 4.061 0.488 4 0 "[ . 1 . 2]"
1 36 GLN 4.071 0.527 10 1 "[ . + . 2]"
1 37 ARG 1.163 0.527 10 1 "[ . + . 2]"
1 38 ILE 4.288 0.431 16 0 "[ . 1 . 2]"
1 39 ILE 2.866 0.086 15 0 "[ . 1 . 2]"
1 40 GLY 1.226 0.085 8 0 "[ . 1 . 2]"
1 41 TRP 7.382 0.101 20 0 "[ . 1 . 2]"
1 42 GLY 1.541 0.338 17 0 "[ . 1 . 2]"
1 43 THR 7.975 0.338 17 0 "[ . 1 . 2]"
1 44 GLY 2.598 0.100 1 0 "[ . 1 . 2]"
1 45 ALA 27.937 1.511 19 16 "[*** * **-**** ** *+*]"
1 46 GLU 13.666 1.511 19 9 "[*** * **1 - . *+2]"
1 47 GLY 4.004 0.357 12 0 "[ . 1 . 2]"
1 48 ALA 10.501 0.670 12 13 "[*** ** * +*** -**]"
1 49 ARG 21.489 0.763 3 14 "[**+*** * **** -**]"
1 50 GLN 12.241 0.607 4 1 "[ +. 1 . 2]"
1 51 ARG 2.811 0.089 20 0 "[ . 1 . 2]"
1 52 LEU 1.891 0.107 7 0 "[ . 1 . 2]"
1 53 GLU 4.828 0.107 7 0 "[ . 1 . 2]"
1 54 ASN 6.210 0.537 2 1 "[ + . 1 . 2]"
1 55 ILE 11.004 0.513 4 1 "[ +. 1 . 2]"
1 56 GLN 8.788 0.537 2 1 "[ + . 1 . 2]"
1 57 PRO 26.939 0.942 19 20 [******************+*]
1 58 ALA 37.890 0.942 19 20 [******************+*]
1 59 ASP 21.162 0.876 17 7 "[ -*** 1 ** . + 2]"
1 60 VAL 10.892 0.876 17 4 "[ * 1 -* . + 2]"
1 61 SER 30.600 1.138 13 20 [******-*****+*******]
1 62 MET 37.647 1.138 13 20 [***********-+*******]
1 63 ILE 4.913 0.199 10 0 "[ . 1 . 2]"
1 64 LYS 5.298 0.227 16 0 "[ . 1 . 2]"
1 65 LYS 2.916 0.116 14 0 "[ . 1 . 2]"
1 66 GLN 25.834 0.841 4 13 "[** +*- *** ***.* *2]"
1 67 GLY 4.501 0.145 16 0 "[ . 1 . 2]"
1 68 THR 20.068 0.841 4 13 "[** +*- *** ***.* *2]"
1 69 THR 21.337 1.499 9 15 "[- * .** +********* *]"
1 70 LEU 11.610 0.771 6 9 "[ .+ ** -* *** *]"
1 71 GLU 33.799 1.499 9 15 "[* * .** +**-****** *]"
1 72 MET 7.674 0.359 6 0 "[ . 1 . 2]"
1 73 ILE 12.956 0.750 11 2 "[- . 1+ . 2]"
1 74 THR 36.130 1.823 17 20 [-***************+***]
1 75 ALA 17.557 1.361 4 15 "[***+* - ******** *2]"
1 76 TRP 18.269 1.231 15 9 "[ ***. * *- *+* 2]"
1 77 GLN 22.085 1.360 2 17 "[*+-*.********** * **]"
1 78 ASP 50.965 1.823 17 20 [*******-********+***]
1 79 PHE 3.484 0.097 6 0 "[ . 1 . 2]"
1 80 TYR 23.311 0.700 18 7 "[ - . * * * .* + *]"
1 81 GLU 2.788 0.205 16 0 "[ . 1 . 2]"
1 82 GLN 2.425 0.264 15 0 "[ . 1 . 2]"
1 83 GLU 3.449 0.474 18 0 "[ . 1 . 2]"
1 84 GLN 3.039 0.295 4 0 "[ . 1 . 2]"
1 85 GLN 0.613 0.083 12 0 "[ . 1 . 2]"
1 86 ARG 0.830 0.083 12 0 "[ . 1 . 2]"
1 87 ASN 6.921 0.270 8 0 "[ . 1 . 2]"
1 88 GLU 3.721 0.722 15 2 "[ . 1- + 2]"
1 89 ASN 3.463 0.722 15 2 "[ . 1- + 2]"
1 90 ASN 4.668 0.105 17 0 "[ . 1 . 2]"
1 91 PRO 18.590 0.709 20 12 "[ ** . * **** ** *-+]"
1 92 THR 36.007 1.461 19 20 [**************-***+*]
1 93 ALA 2.407 0.295 4 0 "[ . 1 . 2]"
1 94 LYS 25.636 1.480 18 19 "[************* -**+**]"
1 95 TYR 103.123 1.480 18 20 [*****************+-*]
1 96 ARG 30.074 1.419 5 11 "[* *+** *1 ***- * 2]"
1 97 ALA 10.672 0.700 18 6 "[ * . * - .* + *]"
1 98 ARG 4.799 0.298 7 0 "[ . 1 . 2]"
1 99 LEU 1.452 0.122 15 0 "[ . 1 . 2]"
1 100 MET 4.611 0.116 5 0 "[ . 1 . 2]"
1 101 LYS 3.234 1.211 9 2 "[ . +1 . -]"
1 102 LYS 4.453 0.790 8 4 "[ . + 1 .- * *]"
1 103 ILE 20.854 1.443 12 20 [***********+*****-**]
1 104 ALA 12.095 0.609 13 2 "[ . 1 + - 2]"
1 105 ASP 11.547 0.847 5 9 "[ * *+* -*1** . *]"
1 106 LEU 44.335 1.443 12 20 [***********+*****-**]
1 107 TRP 49.653 0.843 17 20 [***********-****+***]
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 ASP H 1 4 PHE QD . . 5.500 4.554 2.469 5.554 0.054 13 0 "[ . 1 . 2]" 1
2 1 3 ASP HA 1 4 PHE H . . 3.470 2.495 2.148 3.100 . 0 0 "[ . 1 . 2]" 1
3 1 4 PHE H 1 4 PHE HB3 . . 4.180 3.431 2.870 3.858 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLY H 1 6 THR H . . 4.390 3.253 2.023 4.472 0.082 5 0 "[ . 1 . 2]" 1
5 1 5 GLY H 1 6 THR MG . . 5.500 4.505 2.486 5.576 0.076 6 0 "[ . 1 . 2]" 1
6 1 5 GLY H 1 7 THR H . . 5.500 4.565 3.260 5.563 0.063 3 0 "[ . 1 . 2]" 1
7 1 6 THR H 1 7 THR H . . 4.090 2.502 1.797 3.285 . 0 0 "[ . 1 . 2]" 1
8 1 6 THR H 1 7 THR HA . . 4.290 4.142 3.619 4.374 0.084 11 0 "[ . 1 . 2]" 1
9 1 6 THR H 1 7 THR MG . . 5.310 4.454 3.382 5.238 . 0 0 "[ . 1 . 2]" 1
10 1 6 THR HA 1 8 ASN H . . 3.720 3.524 2.715 3.794 0.074 10 0 "[ . 1 . 2]" 1
11 1 6 THR HA 1 9 ASN H . . 5.500 5.032 3.805 5.590 0.090 18 0 "[ . 1 . 2]" 1
12 1 7 THR H 1 8 ASN H . . 4.290 2.946 1.902 3.390 . 0 0 "[ . 1 . 2]" 1
13 1 7 THR MG 1 8 ASN H . . 5.500 3.837 2.511 4.485 . 0 0 "[ . 1 . 2]" 1
14 1 7 THR MG 1 8 ASN HA . . 4.450 4.269 3.722 4.550 0.100 1 0 "[ . 1 . 2]" 1
15 1 9 ASN H 1 10 PHE H . . 3.980 3.700 2.503 4.071 0.091 6 0 "[ . 1 . 2]" 1
16 1 9 ASN HA 1 10 PHE H . . 3.340 2.393 2.050 3.317 . 0 0 "[ . 1 . 2]" 1
17 1 10 PHE H 1 10 PHE QD . . 5.500 3.375 1.807 4.592 . 0 0 "[ . 1 . 2]" 1
18 1 10 PHE H 1 11 VAL QG . . 5.500 4.456 2.648 5.489 . 0 0 "[ . 1 . 2]" 1
19 1 10 PHE HA 1 10 PHE QD . . 4.440 3.096 2.401 3.805 . 0 0 "[ . 1 . 2]" 1
20 1 10 PHE HA 1 11 VAL H . . 3.110 2.545 2.277 3.180 0.070 13 0 "[ . 1 . 2]" 1
21 1 10 PHE HA 1 11 VAL MG1 . . 5.410 4.023 3.004 5.461 0.051 14 0 "[ . 1 . 2]" 1
22 1 10 PHE HB3 1 11 VAL H . . 5.010 3.542 2.059 4.505 . 0 0 "[ . 1 . 2]" 1
23 1 10 PHE QD 1 11 VAL H . . 5.500 3.661 1.991 5.018 . 0 0 "[ . 1 . 2]" 1
24 1 11 VAL H 1 11 VAL HB . . 3.820 3.302 2.400 3.882 0.062 1 0 "[ . 1 . 2]" 1
25 1 11 VAL H 1 11 VAL QG . . 4.220 2.264 1.831 2.991 . 0 0 "[ . 1 . 2]" 1
26 1 11 VAL H 1 12 SER H . . 4.460 4.157 2.199 4.535 0.075 11 0 "[ . 1 . 2]" 1
27 1 11 VAL HA 1 12 SER H . . 2.990 2.402 2.177 3.043 0.053 10 0 "[ . 1 . 2]" 1
28 1 11 VAL HB 1 12 SER H . . 4.900 3.794 2.011 4.622 . 0 0 "[ . 1 . 2]" 1
29 1 11 VAL QG 1 12 SER H . . 4.540 2.768 1.761 3.717 . 0 0 "[ . 1 . 2]" 1
30 1 11 VAL MG2 1 12 SER H . . 5.230 2.934 1.774 4.366 . 0 0 "[ . 1 . 2]" 1
31 1 12 SER H 1 13 PRO HD3 . . 5.500 4.837 3.023 5.235 . 0 0 "[ . 1 . 2]" 1
32 1 12 SER HA 1 13 PRO HD3 . . 2.910 2.528 2.262 3.307 0.397 17 0 "[ . 1 . 2]" 1
33 1 13 PRO HA 1 14 ASN H . . 3.200 2.455 2.317 2.703 . 0 0 "[ . 1 . 2]" 1
34 1 13 PRO HB3 1 14 ASN H . . 4.420 3.834 3.247 4.503 0.083 6 0 "[ . 1 . 2]" 1
35 1 14 ASN H 1 15 LEU H . . 4.080 3.627 1.894 4.177 0.097 16 0 "[ . 1 . 2]" 1
36 1 14 ASN HA 1 15 LEU H . . 3.310 2.384 1.857 3.275 . 0 0 "[ . 1 . 2]" 1
37 1 14 ASN HA 1 16 GLN H . . 5.210 4.556 3.932 5.275 0.065 15 0 "[ . 1 . 2]" 1
38 1 14 ASN HB3 1 15 LEU H . . 5.180 4.080 3.333 4.527 . 0 0 "[ . 1 . 2]" 1
39 1 14 ASN HB3 1 16 GLN H . . 5.500 4.621 2.868 6.326 0.826 13 1 "[ . 1 + . 2]" 1
40 1 14 ASN HB3 1 17 LEU QD . . 5.500 5.417 4.346 6.564 1.064 18 4 "[ - . 1 * .* + 2]" 1
41 1 15 LEU HA 1 15 LEU QD . . 3.250 2.616 2.080 3.375 0.125 15 0 "[ . 1 . 2]" 1
42 1 15 LEU HA 1 15 LEU HG . . 4.140 2.616 2.259 3.688 . 0 0 "[ . 1 . 2]" 1
43 1 15 LEU HA 1 16 GLN H . . 3.060 2.460 2.082 2.920 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU HA 1 17 LEU QD . . 4.420 2.367 2.046 2.644 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU QD 1 16 GLN H . . 5.110 4.120 3.593 4.568 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU QD 1 17 LEU H . . 5.210 3.187 1.878 3.827 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU QD 1 18 LYS H . . 5.140 4.872 3.907 5.250 0.110 3 0 "[ . 1 . 2]" 1
48 1 15 LEU QD 1 18 LYS HG3 . . 3.970 4.012 2.126 5.382 1.412 18 7 "[ * * ** 1 * . + -]" 1
49 1 15 LEU HG 1 16 GLN H . . 5.500 4.134 3.438 4.640 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU HG 1 17 LEU H . . 3.250 2.803 2.102 3.302 0.052 7 0 "[ . 1 . 2]" 1
51 1 15 LEU HG 1 17 LEU QD . . 3.250 2.612 2.108 3.313 0.063 15 0 "[ . 1 . 2]" 1
52 1 16 GLN H 1 17 LEU H . . 3.450 3.076 2.494 3.437 . 0 0 "[ . 1 . 2]" 1
53 1 16 GLN HA 1 17 LEU H . . 2.990 2.897 2.311 3.079 0.089 10 0 "[ . 1 . 2]" 1
54 1 16 GLN HB3 1 17 LEU H . . 4.550 4.440 3.667 4.682 0.132 18 0 "[ . 1 . 2]" 1
55 1 17 LEU H 1 17 LEU HB3 . . 4.010 3.613 3.341 3.922 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU H 1 18 LYS H . . 3.800 3.685 3.007 3.893 0.093 15 0 "[ . 1 . 2]" 1
57 1 17 LEU HA 1 18 LYS H . . 2.870 2.201 2.054 2.310 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU HB3 1 18 LYS H . . 3.990 4.180 3.275 4.468 0.478 2 0 "[ . 1 . 2]" 1
59 1 18 LYS H 1 18 LYS HB3 . . 3.470 3.678 2.841 3.943 0.473 10 0 "[ . 1 . 2]" 1
60 1 18 LYS H 1 18 LYS HG3 . . 4.230 3.374 2.440 4.903 0.673 1 1 "[+ . 1 . 2]" 1
61 1 18 LYS HA 1 19 GLN H . . 2.870 2.376 2.126 2.602 . 0 0 "[ . 1 . 2]" 1
62 1 19 GLN H 1 19 GLN HB3 . . 4.000 3.058 2.447 3.780 . 0 0 "[ . 1 . 2]" 1
63 1 19 GLN H 1 19 GLN HE21 . . 5.500 4.041 2.360 5.092 . 0 0 "[ . 1 . 2]" 1
64 1 19 GLN H 1 19 GLN HE22 . . 5.500 5.214 3.785 5.590 0.090 14 0 "[ . 1 . 2]" 1
65 1 19 GLN H 1 20 ASN H . . 4.380 4.423 4.280 4.463 0.083 3 0 "[ . 1 . 2]" 1
66 1 19 GLN HA 1 19 GLN HE21 . . 5.500 4.867 2.193 5.591 0.091 2 0 "[ . 1 . 2]" 1
67 1 19 GLN HA 1 20 ASN H . . 3.050 2.533 2.232 2.761 . 0 0 "[ . 1 . 2]" 1
68 1 19 GLN HA 1 21 VAL QG . . 4.970 4.694 4.269 4.963 . 0 0 "[ . 1 . 2]" 1
69 1 19 GLN HB3 1 19 GLN HE22 . . 5.500 4.403 3.126 5.418 . 0 0 "[ . 1 . 2]" 1
70 1 19 GLN HB3 1 20 ASN H . . 4.390 3.278 2.114 3.885 . 0 0 "[ . 1 . 2]" 1
71 1 19 GLN HB3 1 21 VAL QG . . 5.500 4.496 3.643 5.258 . 0 0 "[ . 1 . 2]" 1
72 1 19 GLN HE21 1 21 VAL QG . . 5.500 3.770 1.976 5.493 . 0 0 "[ . 1 . 2]" 1
73 1 20 ASN H 1 20 ASN HB3 . . 3.740 2.604 2.380 2.813 . 0 0 "[ . 1 . 2]" 1
74 1 20 ASN H 1 21 VAL H . . 3.970 3.968 3.673 4.068 0.098 1 0 "[ . 1 . 2]" 1
75 1 20 ASN H 1 21 VAL QG . . 5.500 4.342 4.039 4.591 . 0 0 "[ . 1 . 2]" 1
76 1 20 ASN HA 1 21 VAL H . . 2.950 2.234 1.984 2.456 . 0 0 "[ . 1 . 2]" 1
77 1 20 ASN HA 1 21 VAL HA . . 4.490 4.482 4.307 4.563 0.073 2 0 "[ . 1 . 2]" 1
78 1 20 ASN HA 1 21 VAL HB . . 5.350 4.725 4.385 5.099 . 0 0 "[ . 1 . 2]" 1
79 1 20 ASN HA 1 21 VAL QG . . 4.660 3.862 3.597 4.120 . 0 0 "[ . 1 . 2]" 1
80 1 20 ASN HB3 1 20 ASN HD21 . . 3.650 2.958 2.398 3.611 . 0 0 "[ . 1 . 2]" 1
81 1 20 ASN HD21 1 21 VAL H . . 4.800 3.526 2.581 4.200 . 0 0 "[ . 1 . 2]" 1
82 1 20 ASN HD21 1 21 VAL HB . . 5.170 5.092 4.502 5.250 0.080 8 0 "[ . 1 . 2]" 1
83 1 20 ASN HD21 1 21 VAL QG . . 5.500 4.587 4.310 4.880 . 0 0 "[ . 1 . 2]" 1
84 1 20 ASN HD21 1 22 LEU H . . 4.920 4.849 4.449 4.998 0.078 5 0 "[ . 1 . 2]" 1
85 1 20 ASN HD21 1 22 LEU HG . . 5.500 4.900 4.395 5.566 0.066 4 0 "[ . 1 . 2]" 1
86 1 20 ASN HD22 1 79 PHE QE . . 4.170 3.025 2.023 4.267 0.097 6 0 "[ . 1 . 2]" 1
87 1 21 VAL H 1 21 VAL HB . . 3.350 2.823 2.232 3.404 0.054 17 0 "[ . 1 . 2]" 1
88 1 21 VAL H 1 21 VAL QG . . 3.380 2.216 1.929 2.694 . 0 0 "[ . 1 . 2]" 1
89 1 21 VAL HA 1 21 VAL QG . . 3.270 2.230 2.093 2.385 . 0 0 "[ . 1 . 2]" 1
90 1 21 VAL HA 1 22 LEU H . . 2.680 2.328 2.152 2.520 . 0 0 "[ . 1 . 2]" 1
91 1 21 VAL HB 1 22 LEU H . . 4.190 3.900 3.284 4.172 . 0 0 "[ . 1 . 2]" 1
92 1 21 VAL QG 1 22 LEU H . . 3.750 2.287 1.843 2.613 . 0 0 "[ . 1 . 2]" 1
93 1 22 LEU H 1 22 LEU HB3 . . 3.680 3.596 3.549 3.655 . 0 0 "[ . 1 . 2]" 1
94 1 22 LEU H 1 22 LEU MD1 . . 4.320 3.628 2.424 3.939 . 0 0 "[ . 1 . 2]" 1
95 1 22 LEU H 1 22 LEU MD2 . . 4.160 3.777 3.215 4.301 0.141 5 0 "[ . 1 . 2]" 1
96 1 22 LEU H 1 22 LEU HG . . 3.430 2.705 2.226 3.326 . 0 0 "[ . 1 . 2]" 1
97 1 22 LEU H 1 79 PHE QE . . 5.500 5.286 4.935 5.569 0.069 20 0 "[ . 1 . 2]" 1
98 1 22 LEU HA 1 22 LEU MD1 . . 4.100 3.868 3.312 3.942 . 0 0 "[ . 1 . 2]" 1
99 1 22 LEU HA 1 22 LEU MD2 . . 3.200 2.196 2.073 3.142 . 0 0 "[ . 1 . 2]" 1
100 1 22 LEU HA 1 22 LEU HG . . 4.090 2.955 2.080 3.313 . 0 0 "[ . 1 . 2]" 1
101 1 22 LEU HA 1 76 TRP HH2 . . 5.240 4.618 4.194 5.097 . 0 0 "[ . 1 . 2]" 1
102 1 22 LEU HA 1 79 PHE QD . . 5.500 4.084 3.595 4.625 . 0 0 "[ . 1 . 2]" 1
103 1 22 LEU HA 1 79 PHE QE . . 4.690 3.219 2.710 3.801 . 0 0 "[ . 1 . 2]" 1
104 1 22 LEU HB3 1 22 LEU MD2 . . 3.610 2.374 2.232 2.463 . 0 0 "[ . 1 . 2]" 1
105 1 22 LEU HB3 1 76 TRP HH2 . . 4.170 2.590 2.200 3.056 . 0 0 "[ . 1 . 2]" 1
106 1 22 LEU MD1 1 31 LEU H . . 5.500 5.474 5.057 6.109 0.609 5 1 "[ + 1 . 2]" 1
107 1 22 LEU MD1 1 31 LEU HB3 . . 4.460 4.072 3.714 4.559 0.099 5 0 "[ . 1 . 2]" 1
108 1 22 LEU MD1 1 31 LEU QD . . 4.120 3.376 2.865 3.967 . 0 0 "[ . 1 . 2]" 1
109 1 22 LEU MD1 1 76 TRP HH2 . . 3.690 2.601 2.207 3.761 0.071 5 0 "[ . 1 . 2]" 1
110 1 22 LEU MD1 1 76 TRP HZ3 . . 4.990 4.051 3.403 5.083 0.093 6 0 "[ . 1 . 2]" 1
111 1 22 LEU MD2 1 31 LEU QD . . 4.290 3.671 2.762 3.957 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU MD2 1 76 TRP HH2 . . 3.660 2.537 1.988 3.286 . 0 0 "[ . 1 . 2]" 1
113 1 22 LEU MD2 1 76 TRP HZ3 . . 4.450 2.587 2.031 3.330 . 0 0 "[ . 1 . 2]" 1
114 1 22 LEU MD2 1 79 PHE QD . . 4.680 3.931 2.580 4.506 . 0 0 "[ . 1 . 2]" 1
115 1 22 LEU MD2 1 79 PHE QE . . 3.510 2.812 2.093 3.536 0.026 6 0 "[ . 1 . 2]" 1
116 1 22 LEU MD2 1 79 PHE HZ . . 4.130 2.634 2.150 3.778 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU HG 1 79 PHE QE . . 5.220 4.756 2.661 5.293 0.073 16 0 "[ . 1 . 2]" 1
118 1 22 LEU HG 1 79 PHE HZ . . 5.500 4.649 3.152 5.569 0.069 6 0 "[ . 1 . 2]" 1
119 1 23 PRO HA 1 24 PRO HD3 . . 3.270 2.412 2.233 2.636 . 0 0 "[ . 1 . 2]" 1
120 1 23 PRO HA 1 24 PRO HG3 . . 4.660 4.665 4.508 4.760 0.100 16 0 "[ . 1 . 2]" 1
121 1 23 PRO HB3 1 24 PRO HD3 . . 4.080 3.734 3.494 3.797 . 0 0 "[ . 1 . 2]" 1
122 1 23 PRO HD3 1 79 PHE QE . . 5.430 3.426 2.620 4.364 . 0 0 "[ . 1 . 2]" 1
123 1 23 PRO HG3 1 76 TRP HA . . 4.610 2.744 2.305 3.289 . 0 0 "[ . 1 . 2]" 1
124 1 23 PRO HG3 1 79 PHE H . . 5.500 4.296 3.943 4.754 . 0 0 "[ . 1 . 2]" 1
125 1 23 PRO HG3 1 79 PHE HB3 . . 4.610 2.958 2.523 3.283 . 0 0 "[ . 1 . 2]" 1
126 1 23 PRO HG3 1 79 PHE QD . . 5.500 3.469 2.958 3.883 . 0 0 "[ . 1 . 2]" 1
127 1 23 PRO HG3 1 79 PHE QE . . 5.500 4.877 4.149 5.480 . 0 0 "[ . 1 . 2]" 1
128 1 24 PRO HA 1 25 THR H . . 2.760 2.527 2.362 2.736 . 0 0 "[ . 1 . 2]" 1
129 1 24 PRO HA 1 25 THR MG . . 4.710 4.180 3.441 4.720 0.010 13 0 "[ . 1 . 2]" 1
130 1 24 PRO HD3 1 75 ALA MB . . 3.610 4.131 3.439 4.971 1.361 4 12 "[* *+* * * - **** *2]" 1
131 1 24 PRO HD3 1 76 TRP HE1 . . 5.500 5.952 5.550 6.731 1.231 15 9 "[ ***. * *- *+* 2]" 1
132 1 24 PRO HG3 1 25 THR H . . 5.070 5.037 4.820 5.220 0.150 11 0 "[ . 1 . 2]" 1
133 1 25 THR H 1 25 THR MG . . 4.020 3.579 3.198 3.900 . 0 0 "[ . 1 . 2]" 1
134 1 25 THR H 1 26 PRO HA . . 4.930 4.892 4.596 4.985 0.055 4 0 "[ . 1 . 2]" 1
135 1 25 THR H 1 26 PRO HD3 . . 5.500 4.952 4.787 5.057 . 0 0 "[ . 1 . 2]" 1
136 1 25 THR H 1 72 MET ME . . 5.500 5.348 4.483 5.577 0.077 1 0 "[ . 1 . 2]" 1
137 1 25 THR H 1 76 TRP HE1 . . 5.500 4.763 4.558 5.336 . 0 0 "[ . 1 . 2]" 1
138 1 25 THR HA 1 25 THR MG . . 3.320 2.199 2.103 2.310 . 0 0 "[ . 1 . 2]" 1
139 1 25 THR HA 1 26 PRO HD3 . . 3.440 2.379 2.155 2.501 . 0 0 "[ . 1 . 2]" 1
140 1 25 THR HA 1 26 PRO HG3 . . 4.590 4.615 4.334 4.666 0.076 9 0 "[ . 1 . 2]" 1
141 1 25 THR HA 1 34 PHE QE . . 5.500 4.054 3.533 4.653 . 0 0 "[ . 1 . 2]" 1
142 1 25 THR HA 1 72 MET ME . . 4.570 4.311 3.619 4.634 0.064 4 0 "[ . 1 . 2]" 1
143 1 25 THR HA 1 76 TRP HD1 . . 5.330 4.749 4.288 5.173 . 0 0 "[ . 1 . 2]" 1
144 1 25 THR HA 1 76 TRP HE1 . . 4.480 2.984 2.698 3.346 . 0 0 "[ . 1 . 2]" 1
145 1 25 THR HA 1 76 TRP HZ2 . . 5.010 4.480 3.934 4.985 . 0 0 "[ . 1 . 2]" 1
146 1 25 THR HB 1 26 PRO HD3 . . 4.700 3.591 3.188 4.218 . 0 0 "[ . 1 . 2]" 1
147 1 25 THR HB 1 26 PRO HG3 . . 5.500 5.029 4.742 5.468 . 0 0 "[ . 1 . 2]" 1
148 1 25 THR MG 1 26 PRO HD3 . . 4.160 3.130 2.487 3.775 . 0 0 "[ . 1 . 2]" 1
149 1 25 THR MG 1 31 LEU H . . 5.500 3.247 2.505 4.318 . 0 0 "[ . 1 . 2]" 1
150 1 25 THR MG 1 31 LEU HA . . 3.930 2.540 2.093 3.040 . 0 0 "[ . 1 . 2]" 1
151 1 25 THR MG 1 34 PHE H . . 4.790 4.505 4.131 4.876 0.086 3 0 "[ . 1 . 2]" 1
152 1 25 THR MG 1 34 PHE HA . . 5.500 5.043 4.566 5.562 0.062 3 0 "[ . 1 . 2]" 1
153 1 25 THR MG 1 34 PHE HD2 . . 4.410 2.345 2.178 2.673 . 0 0 "[ . 1 . 2]" 1
154 1 25 THR MG 1 34 PHE QE . . 3.800 3.460 2.728 3.854 0.054 18 0 "[ . 1 . 2]" 1
155 1 25 THR MG 1 76 TRP HD1 . . 4.370 4.355 3.907 4.473 0.103 3 0 "[ . 1 . 2]" 1
156 1 25 THR MG 1 76 TRP HE1 . . 3.700 2.480 1.996 2.680 . 0 0 "[ . 1 . 2]" 1
157 1 25 THR MG 1 76 TRP HZ2 . . 3.140 2.181 2.062 2.360 . 0 0 "[ . 1 . 2]" 1
158 1 26 PRO HA 1 27 LYS H . . 2.880 2.269 2.142 2.396 . 0 0 "[ . 1 . 2]" 1
159 1 26 PRO HA 1 27 LYS HA . . 4.360 4.354 4.268 4.423 0.063 20 0 "[ . 1 . 2]" 1
160 1 26 PRO HA 1 27 LYS HG3 . . 4.450 5.061 4.287 5.865 1.415 14 13 "[-***** * * *+** * 2]" 1
161 1 26 PRO HA 1 72 MET ME . . 3.010 2.705 2.263 2.963 . 0 0 "[ . 1 . 2]" 1
162 1 26 PRO HB3 1 27 LYS H . . 3.720 3.680 3.422 3.827 0.107 16 0 "[ . 1 . 2]" 1
163 1 26 PRO HB3 1 28 ASN H . . 5.500 4.880 4.373 5.248 . 0 0 "[ . 1 . 2]" 1
164 1 26 PRO HB3 1 28 ASN HB3 . . 5.420 6.295 5.903 6.673 1.253 20 19 "[***********- ******+]" 1
165 1 26 PRO HB3 1 67 GLY HA2 . . 5.330 5.391 5.270 5.475 0.145 16 0 "[ . 1 . 2]" 1
166 1 26 PRO HB3 1 67 GLY HA3 . . 4.530 4.510 4.277 4.606 0.076 13 0 "[ . 1 . 2]" 1
167 1 26 PRO HB3 1 68 THR H . . 5.310 5.083 4.216 5.370 0.060 8 0 "[ . 1 . 2]" 1
168 1 26 PRO HB3 1 68 THR HA . . 4.540 2.946 2.292 3.285 . 0 0 "[ . 1 . 2]" 1
169 1 26 PRO HD3 1 34 PHE HD1 . . 4.250 4.308 4.055 4.386 0.136 12 0 "[ . 1 . 2]" 1
170 1 26 PRO HD3 1 34 PHE HD2 . . 5.230 4.093 3.692 4.649 . 0 0 "[ . 1 . 2]" 1
171 1 26 PRO HD3 1 72 MET ME . . 4.700 3.269 2.462 3.876 . 0 0 "[ . 1 . 2]" 1
172 1 26 PRO HD3 1 76 TRP HE1 . . 5.500 4.493 4.093 5.136 . 0 0 "[ . 1 . 2]" 1
173 1 26 PRO HG3 1 27 LYS H . . 5.490 5.429 5.248 5.528 0.038 12 0 "[ . 1 . 2]" 1
174 1 26 PRO HG3 1 29 ILE MD . . 4.220 3.335 3.005 3.846 . 0 0 "[ . 1 . 2]" 1
175 1 26 PRO HG3 1 68 THR HA . . 4.000 3.549 2.873 4.059 0.059 18 0 "[ . 1 . 2]" 1
176 1 27 LYS H 1 27 LYS HG3 . . 4.110 2.865 2.367 3.603 . 0 0 "[ . 1 . 2]" 1
177 1 27 LYS H 1 28 ASN H . . 3.620 3.500 3.197 3.680 0.060 20 0 "[ . 1 . 2]" 1
178 1 27 LYS H 1 28 ASN HA . . 5.320 5.308 5.178 5.393 0.073 12 0 "[ . 1 . 2]" 1
179 1 27 LYS H 1 29 ILE H . . 5.500 5.298 4.958 5.511 0.011 15 0 "[ . 1 . 2]" 1
180 1 27 LYS H 1 29 ILE MD . . 5.500 5.506 5.252 5.601 0.101 9 0 "[ . 1 . 2]" 1
181 1 27 LYS HA 1 27 LYS HG3 . . 3.780 3.698 3.562 3.778 . 0 0 "[ . 1 . 2]" 1
182 1 27 LYS HA 1 28 ASN H . . 3.400 2.724 2.464 3.032 . 0 0 "[ . 1 . 2]" 1
183 1 27 LYS HA 1 28 ASN HA . . 4.670 4.478 4.200 4.708 0.038 14 0 "[ . 1 . 2]" 1
184 1 27 LYS HA 1 28 ASN HB3 . . 5.060 6.124 6.001 6.273 1.213 13 20 [************+******-] 1
185 1 27 LYS HA 1 28 ASN QD . . 5.500 4.553 3.982 5.299 . 0 0 "[ . 1 . 2]" 1
186 1 27 LYS HA 1 29 ILE H . . 4.950 4.302 4.018 4.639 . 0 0 "[ . 1 . 2]" 1
187 1 28 ASN H 1 28 ASN HA . . 2.850 2.928 2.915 2.937 0.087 12 0 "[ . 1 . 2]" 1
188 1 28 ASN H 1 28 ASN HB3 . . 3.960 3.679 3.422 3.849 . 0 0 "[ . 1 . 2]" 1
189 1 28 ASN H 1 28 ASN QD . . 5.500 3.239 2.398 3.822 . 0 0 "[ . 1 . 2]" 1
190 1 28 ASN H 1 29 ILE H . . 3.570 1.974 1.784 2.362 . 0 0 "[ . 1 . 2]" 1
191 1 28 ASN H 1 29 ILE HA . . 4.760 4.455 4.243 4.820 0.060 14 0 "[ . 1 . 2]" 1
192 1 28 ASN H 1 29 ILE MD . . 5.500 3.254 3.048 3.512 . 0 0 "[ . 1 . 2]" 1
193 1 28 ASN H 1 29 ILE MG . . 4.070 4.176 4.167 4.182 0.112 6 0 "[ . 1 . 2]" 1
194 1 28 ASN HA 1 29 ILE MD . . 5.500 4.503 4.343 4.607 . 0 0 "[ . 1 . 2]" 1
195 1 28 ASN HA 1 29 ILE MG . . 5.360 3.813 3.557 3.972 . 0 0 "[ . 1 . 2]" 1
196 1 28 ASN HB3 1 29 ILE H . . 4.750 3.591 3.083 3.833 . 0 0 "[ . 1 . 2]" 1
197 1 28 ASN HB3 1 29 ILE HA . . 5.310 4.780 4.462 5.024 . 0 0 "[ . 1 . 2]" 1
198 1 29 ILE H 1 29 ILE MD . . 4.160 2.028 1.784 2.281 . 0 0 "[ . 1 . 2]" 1
199 1 29 ILE H 1 29 ILE HG13 . . 3.390 4.255 4.002 4.440 1.050 12 20 [***********+*-******] 1
200 1 29 ILE H 1 29 ILE MG . . 3.320 3.009 2.727 3.144 . 0 0 "[ . 1 . 2]" 1
201 1 29 ILE H 1 30 PRO HD3 . . 5.080 4.809 4.694 5.060 . 0 0 "[ . 1 . 2]" 1
202 1 29 ILE HA 1 29 ILE MD . . 4.030 3.730 3.677 3.798 . 0 0 "[ . 1 . 2]" 1
203 1 29 ILE HA 1 29 ILE HG13 . . 3.800 4.277 4.227 4.303 0.503 3 1 "[ + . 1 . 2]" 1
204 1 29 ILE HA 1 29 ILE MG . . 3.180 2.506 2.439 2.532 . 0 0 "[ . 1 . 2]" 1
205 1 29 ILE HA 1 30 PRO HD3 . . 2.940 2.363 2.205 2.424 . 0 0 "[ . 1 . 2]" 1
206 1 29 ILE HB 1 29 ILE MD . . 3.370 3.278 3.252 3.301 . 0 0 "[ . 1 . 2]" 1
207 1 29 ILE HB 1 30 PRO HD3 . . 3.870 3.317 3.226 3.387 . 0 0 "[ . 1 . 2]" 1
208 1 29 ILE HB 1 33 ALA MB . . 3.470 2.027 1.926 2.096 . 0 0 "[ . 1 . 2]" 1
209 1 29 ILE HB 1 34 PHE H . . 4.950 4.269 4.075 4.497 . 0 0 "[ . 1 . 2]" 1
210 1 29 ILE MD 1 29 ILE MG . . 3.150 2.078 2.011 2.160 . 0 0 "[ . 1 . 2]" 1
211 1 29 ILE MD 1 30 PRO HD3 . . 5.470 5.216 5.139 5.282 . 0 0 "[ . 1 . 2]" 1
212 1 29 ILE MD 1 33 ALA H . . 5.500 5.089 4.933 5.431 . 0 0 "[ . 1 . 2]" 1
213 1 29 ILE MD 1 33 ALA HA . . 5.460 5.565 5.554 5.575 0.115 13 0 "[ . 1 . 2]" 1
214 1 29 ILE MD 1 33 ALA MB . . 3.810 3.637 3.444 3.945 0.135 1 0 "[ . 1 . 2]" 1
215 1 29 ILE MD 1 34 PHE H . . 4.180 3.743 3.510 4.185 0.005 1 0 "[ . 1 . 2]" 1
216 1 29 ILE MD 1 34 PHE HA . . 3.580 2.316 2.135 2.593 . 0 0 "[ . 1 . 2]" 1
217 1 29 ILE MD 1 34 PHE HD1 . . 4.360 2.033 1.959 2.130 . 0 0 "[ . 1 . 2]" 1
218 1 29 ILE MD 1 35 GLY H . . 5.500 5.214 5.073 5.486 . 0 0 "[ . 1 . 2]" 1
219 1 29 ILE HG13 1 29 ILE MG . . 3.180 2.305 2.185 2.383 . 0 0 "[ . 1 . 2]" 1
220 1 29 ILE HG13 1 34 PHE HA . . 3.340 2.679 2.529 2.832 . 0 0 "[ . 1 . 2]" 1
221 1 29 ILE HG13 1 34 PHE HD1 . . 4.080 3.937 3.690 4.076 . 0 0 "[ . 1 . 2]" 1
222 1 29 ILE MG 1 30 PRO HD3 . . 3.920 4.151 4.118 4.163 0.243 6 0 "[ . 1 . 2]" 1
223 1 29 ILE MG 1 33 ALA MB . . 4.520 2.920 2.420 3.061 . 0 0 "[ . 1 . 2]" 1
224 1 29 ILE MG 1 34 PHE H . . 5.270 5.009 4.816 5.230 . 0 0 "[ . 1 . 2]" 1
225 1 29 ILE MG 1 34 PHE HD1 . . 4.860 4.944 4.742 4.975 0.115 10 0 "[ . 1 . 2]" 1
226 1 30 PRO HA 1 31 LEU H . . 2.890 2.454 2.328 2.525 . 0 0 "[ . 1 . 2]" 1
227 1 30 PRO HA 1 31 LEU HB3 . . 4.970 4.946 4.833 5.037 0.067 19 0 "[ . 1 . 2]" 1
228 1 30 PRO HA 1 32 PRO HD3 . . 4.630 5.699 5.542 5.812 1.182 1 20 [+***********-*******] 1
229 1 30 PRO HB3 1 31 LEU H . . 3.960 3.627 3.567 3.752 . 0 0 "[ . 1 . 2]" 1
230 1 30 PRO HB3 1 32 PRO HD3 . . 3.870 5.548 5.483 5.618 1.748 3 20 [**+*-***************] 1
231 1 30 PRO HB3 1 33 ALA MB . . 4.940 4.763 4.589 5.012 0.072 1 0 "[ . 1 . 2]" 1
232 1 30 PRO HD3 1 33 ALA MB . . 4.410 3.591 3.484 3.746 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU H 1 31 LEU HB3 . . 3.450 2.527 2.455 2.640 . 0 0 "[ . 1 . 2]" 1
234 1 31 LEU H 1 31 LEU QD . . 4.480 3.757 3.723 3.824 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU H 1 32 PRO HD3 . . 3.970 3.744 3.598 3.936 . 0 0 "[ . 1 . 2]" 1
236 1 31 LEU H 1 33 ALA H . . 5.500 4.298 4.142 4.564 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU HA 1 31 LEU QD . . 3.370 2.267 2.109 2.822 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU HA 1 31 LEU HG . . 4.060 3.581 2.437 3.756 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU HA 1 34 PHE H . . 4.110 3.259 2.805 3.513 . 0 0 "[ . 1 . 2]" 1
240 1 31 LEU HA 1 34 PHE HA . . 5.380 5.132 4.836 5.442 0.062 15 0 "[ . 1 . 2]" 1
241 1 31 LEU HA 1 35 GLY H . . 5.490 4.651 4.108 5.485 . 0 0 "[ . 1 . 2]" 1
242 1 31 LEU HA 1 76 TRP HH2 . . 5.200 5.174 4.326 5.275 0.075 20 0 "[ . 1 . 2]" 1
243 1 31 LEU HB3 1 32 PRO HD3 . . 3.090 2.229 2.183 2.276 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU HB3 1 76 TRP HH2 . . 5.210 4.651 4.093 5.257 0.047 16 0 "[ . 1 . 2]" 1
245 1 31 LEU HB3 1 76 TRP HZ2 . . 5.500 5.246 4.706 5.578 0.078 16 0 "[ . 1 . 2]" 1
246 1 31 LEU QD 1 32 PRO HA . . 4.730 2.704 2.335 3.353 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU QD 1 32 PRO HD3 . . 5.040 2.267 2.103 2.452 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU QD 1 34 PHE H . . 4.940 4.133 3.778 4.533 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU QD 1 34 PHE HD2 . . 5.180 3.127 2.619 3.643 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU QD 1 41 TRP HE1 . . 5.500 4.608 4.112 4.899 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU QD 1 41 TRP HH2 . . 3.790 3.436 2.892 3.804 0.014 10 0 "[ . 1 . 2]" 1
252 1 31 LEU QD 1 41 TRP HZ2 . . 3.300 3.021 2.608 3.249 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU QD 1 76 TRP HE3 . . 5.490 3.748 3.357 4.353 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU QD 1 76 TRP HH2 . . 3.840 2.689 2.133 3.088 . 0 0 "[ . 1 . 2]" 1
255 1 31 LEU QD 1 76 TRP HZ2 . . 4.240 2.928 2.554 3.557 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU QD 1 76 TRP HZ3 . . 4.190 2.947 2.356 3.347 . 0 0 "[ . 1 . 2]" 1
257 1 31 LEU HG 1 32 PRO HD3 . . 5.260 4.118 3.821 4.266 . 0 0 "[ . 1 . 2]" 1
258 1 31 LEU HG 1 76 TRP HH2 . . 5.090 2.782 2.221 4.890 . 0 0 "[ . 1 . 2]" 1
259 1 31 LEU HG 1 76 TRP HZ3 . . 4.980 3.975 3.075 5.060 0.080 1 0 "[ . 1 . 2]" 1
260 1 32 PRO HA 1 34 PHE H . . 5.050 4.541 4.048 4.743 . 0 0 "[ . 1 . 2]" 1
261 1 32 PRO HA 1 35 GLY H . . 4.900 4.201 3.718 4.697 . 0 0 "[ . 1 . 2]" 1
262 1 32 PRO HA 1 36 GLN H . . 4.680 4.058 3.749 4.499 . 0 0 "[ . 1 . 2]" 1
263 1 32 PRO HA 1 36 GLN HE21 . . 5.500 3.195 2.438 5.307 . 0 0 "[ . 1 . 2]" 1
264 1 32 PRO HB3 1 33 ALA H . . 4.660 4.651 4.437 4.714 0.054 18 0 "[ . 1 . 2]" 1
265 1 32 PRO HB3 1 36 GLN HE22 . . 5.500 3.613 2.803 5.578 0.078 17 0 "[ . 1 . 2]" 1
266 1 32 PRO HD3 1 33 ALA H . . 4.130 4.322 4.177 4.464 0.334 17 0 "[ . 1 . 2]" 1
267 1 32 PRO HD3 1 33 ALA MB . . 5.500 5.730 5.525 5.940 0.440 1 0 "[ . 1 . 2]" 1
268 1 32 PRO HD3 1 34 PHE H . . 5.500 5.624 5.282 5.850 0.350 18 0 "[ . 1 . 2]" 1
269 1 32 PRO HG3 1 33 ALA H . . 5.260 4.878 4.377 5.175 . 0 0 "[ . 1 . 2]" 1
270 1 33 ALA H 1 33 ALA MB . . 3.130 2.376 2.214 2.535 . 0 0 "[ . 1 . 2]" 1
271 1 33 ALA H 1 34 PHE H . . 3.530 1.948 1.853 2.027 . 0 0 "[ . 1 . 2]" 1
272 1 33 ALA H 1 34 PHE HA . . 4.520 4.579 4.499 4.612 0.092 9 0 "[ . 1 . 2]" 1
273 1 33 ALA H 1 35 GLY H . . 5.290 3.753 3.409 4.060 . 0 0 "[ . 1 . 2]" 1
274 1 33 ALA HA 1 37 ARG H . . 3.620 3.349 2.635 3.697 0.077 20 0 "[ . 1 . 2]" 1
275 1 33 ALA HA 1 37 ARG HG3 . . 4.050 3.368 2.082 4.102 0.052 16 0 "[ . 1 . 2]" 1
276 1 33 ALA MB 1 34 PHE H . . 3.590 2.663 2.396 3.450 . 0 0 "[ . 1 . 2]" 1
277 1 33 ALA MB 1 37 ARG H . . 4.630 4.302 3.814 4.752 0.122 6 0 "[ . 1 . 2]" 1
278 1 34 PHE H 1 34 PHE HD1 . . 4.740 4.627 4.533 4.724 . 0 0 "[ . 1 . 2]" 1
279 1 34 PHE H 1 34 PHE HD2 . . 5.500 4.882 4.724 5.027 . 0 0 "[ . 1 . 2]" 1
280 1 34 PHE H 1 35 GLY H . . 3.780 2.927 2.793 3.107 . 0 0 "[ . 1 . 2]" 1
281 1 34 PHE H 1 35 GLY HA3 . . 5.500 5.253 4.784 5.516 0.016 16 0 "[ . 1 . 2]" 1
282 1 34 PHE H 1 36 GLN H . . 5.410 4.750 4.528 5.096 . 0 0 "[ . 1 . 2]" 1
283 1 34 PHE HA 1 34 PHE HD1 . . 3.640 2.239 2.079 2.354 . 0 0 "[ . 1 . 2]" 1
284 1 34 PHE HA 1 38 ILE HB . . 3.630 3.302 2.597 3.702 0.072 1 0 "[ . 1 . 2]" 1
285 1 34 PHE HA 1 38 ILE HG13 . . 4.660 2.150 2.004 2.450 . 0 0 "[ . 1 . 2]" 1
286 1 34 PHE HD1 1 35 GLY H . . 5.460 5.222 5.090 5.374 . 0 0 "[ . 1 . 2]" 1
287 1 34 PHE HD1 1 38 ILE MD . . 3.720 3.793 3.632 3.825 0.105 12 0 "[ . 1 . 2]" 1
288 1 34 PHE HD1 1 38 ILE HG13 . . 4.740 2.816 2.441 3.134 . 0 0 "[ . 1 . 2]" 1
289 1 34 PHE HD2 1 39 ILE MD . . 5.500 5.471 5.239 5.582 0.082 10 0 "[ . 1 . 2]" 1
290 1 34 PHE HD2 1 73 ILE MD . . 5.410 5.475 5.323 5.513 0.103 14 0 "[ . 1 . 2]" 1
291 1 34 PHE HD2 1 76 TRP HD1 . . 5.170 4.361 3.955 4.768 . 0 0 "[ . 1 . 2]" 1
292 1 34 PHE HD2 1 76 TRP HZ2 . . 4.590 4.454 4.126 4.663 0.073 10 0 "[ . 1 . 2]" 1
293 1 34 PHE HD2 1 100 MET ME . . 5.500 4.583 3.894 5.571 0.071 7 0 "[ . 1 . 2]" 1
294 1 34 PHE QE 1 39 ILE MD . . 3.830 3.672 3.297 3.899 0.069 1 0 "[ . 1 . 2]" 1
295 1 34 PHE QE 1 68 THR H . . 5.460 5.397 4.861 5.555 0.095 1 0 "[ . 1 . 2]" 1
296 1 34 PHE QE 1 68 THR HA . . 4.800 4.281 3.616 4.816 0.016 16 0 "[ . 1 . 2]" 1
297 1 34 PHE QE 1 68 THR MG . . 3.460 2.298 2.134 2.734 . 0 0 "[ . 1 . 2]" 1
298 1 34 PHE QE 1 73 ILE HA . . 4.950 4.623 4.421 5.026 0.076 11 0 "[ . 1 . 2]" 1
299 1 34 PHE QE 1 76 TRP HD1 . . 4.510 2.610 2.355 2.931 . 0 0 "[ . 1 . 2]" 1
300 1 34 PHE QE 1 76 TRP HE1 . . 5.500 3.261 2.574 3.782 . 0 0 "[ . 1 . 2]" 1
301 1 34 PHE QE 1 100 MET ME . . 4.500 3.539 2.818 4.271 . 0 0 "[ . 1 . 2]" 1
302 1 35 GLY H 1 36 GLN H . . 3.740 2.275 1.987 2.608 . 0 0 "[ . 1 . 2]" 1
303 1 35 GLY H 1 36 GLN HA . . 5.500 4.832 4.511 5.000 . 0 0 "[ . 1 . 2]" 1
304 1 35 GLY H 1 36 GLN HG3 . . 5.500 4.156 3.404 5.988 0.488 4 0 "[ . 1 . 2]" 1
305 1 35 GLY H 1 38 ILE HG13 . . 4.710 4.649 4.198 4.790 0.080 15 0 "[ . 1 . 2]" 1
306 1 35 GLY H 1 39 ILE H . . 5.500 4.777 4.118 5.109 . 0 0 "[ . 1 . 2]" 1
307 1 35 GLY H 1 39 ILE HB . . 5.320 5.259 4.804 5.391 0.071 15 0 "[ . 1 . 2]" 1
308 1 35 GLY H 1 41 TRP HE1 . . 5.220 4.105 3.756 4.441 . 0 0 "[ . 1 . 2]" 1
309 1 35 GLY H 1 41 TRP HZ2 . . 4.650 4.388 4.077 4.730 0.080 1 0 "[ . 1 . 2]" 1
310 1 35 GLY HA2 1 39 ILE H . . 4.480 2.727 2.212 3.180 . 0 0 "[ . 1 . 2]" 1
311 1 35 GLY HA2 1 39 ILE HB . . 4.210 2.431 2.149 2.753 . 0 0 "[ . 1 . 2]" 1
312 1 35 GLY HA2 1 39 ILE MG . . 5.500 3.781 3.569 3.924 . 0 0 "[ . 1 . 2]" 1
313 1 35 GLY HA2 1 40 GLY H . . 5.030 4.538 3.998 4.871 . 0 0 "[ . 1 . 2]" 1
314 1 35 GLY HA2 1 41 TRP H . . 5.500 4.539 4.221 5.013 . 0 0 "[ . 1 . 2]" 1
315 1 35 GLY HA2 1 41 TRP HE1 . . 4.530 4.072 3.653 4.398 . 0 0 "[ . 1 . 2]" 1
316 1 35 GLY HA2 1 41 TRP HZ2 . . 4.820 4.380 3.478 4.886 0.066 5 0 "[ . 1 . 2]" 1
317 1 35 GLY HA3 1 36 GLN HA . . 5.250 4.196 3.948 4.463 . 0 0 "[ . 1 . 2]" 1
318 1 35 GLY HA3 1 37 ARG H . . 5.500 4.656 4.505 4.866 . 0 0 "[ . 1 . 2]" 1
319 1 35 GLY HA3 1 39 ILE H . . 5.500 4.149 3.504 4.485 . 0 0 "[ . 1 . 2]" 1
320 1 35 GLY HA3 1 39 ILE HB . . 4.170 3.464 2.412 3.917 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLY HA3 1 39 ILE MG . . 5.500 4.534 3.695 4.877 . 0 0 "[ . 1 . 2]" 1
322 1 35 GLY HA3 1 40 GLY H . . 5.500 5.462 4.964 5.585 0.085 8 0 "[ . 1 . 2]" 1
323 1 35 GLY HA3 1 41 TRP H . . 5.500 4.856 4.241 5.271 . 0 0 "[ . 1 . 2]" 1
324 1 35 GLY HA3 1 41 TRP HD1 . . 4.770 3.897 3.435 4.236 . 0 0 "[ . 1 . 2]" 1
325 1 35 GLY HA3 1 41 TRP HE1 . . 4.000 2.574 2.273 2.870 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLY HA3 1 41 TRP HH2 . . 5.260 4.496 4.178 4.903 . 0 0 "[ . 1 . 2]" 1
327 1 35 GLY HA3 1 41 TRP HZ2 . . 3.990 2.914 2.357 3.421 . 0 0 "[ . 1 . 2]" 1
328 1 35 GLY HA3 1 41 TRP HZ3 . . 5.500 5.387 5.066 5.576 0.076 4 0 "[ . 1 . 2]" 1
329 1 36 GLN H 1 36 GLN HE21 . . 5.500 4.177 3.553 4.939 . 0 0 "[ . 1 . 2]" 1
330 1 36 GLN H 1 36 GLN HG3 . . 3.790 2.301 1.752 3.774 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLN H 1 41 TRP H . . 5.500 5.458 4.904 5.574 0.074 13 0 "[ . 1 . 2]" 1
332 1 36 GLN H 1 41 TRP HE1 . . 5.100 2.680 2.351 3.304 . 0 0 "[ . 1 . 2]" 1
333 1 36 GLN HA 1 36 GLN HE21 . . 5.500 4.926 2.873 5.487 . 0 0 "[ . 1 . 2]" 1
334 1 36 GLN HA 1 37 ARG HG3 . . 5.500 4.879 4.532 6.027 0.527 10 1 "[ . + . 2]" 1
335 1 36 GLN HA 1 40 GLY H . . 5.000 4.377 3.799 5.069 0.069 16 0 "[ . 1 . 2]" 1
336 1 36 GLN HA 1 41 TRP H . . 4.250 3.936 3.541 4.326 0.076 16 0 "[ . 1 . 2]" 1
337 1 36 GLN HA 1 41 TRP HD1 . . 4.670 2.426 2.120 2.817 . 0 0 "[ . 1 . 2]" 1
338 1 36 GLN HA 1 42 GLY H . . 4.200 3.738 3.167 4.120 . 0 0 "[ . 1 . 2]" 1
339 1 36 GLN HB3 1 43 THR MG . . 5.500 4.613 3.987 5.583 0.083 17 0 "[ . 1 . 2]" 1
340 1 36 GLN HE21 1 41 TRP HE1 . . 5.190 3.815 2.354 4.370 . 0 0 "[ . 1 . 2]" 1
341 1 36 GLN HE21 1 41 TRP HZ2 . . 5.390 5.208 4.444 5.465 0.075 8 0 "[ . 1 . 2]" 1
342 1 36 GLN HE21 1 43 THR MG . . 5.500 3.579 2.064 5.107 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLN HE22 1 43 THR HA . . 5.500 4.975 2.836 5.584 0.084 9 0 "[ . 1 . 2]" 1
344 1 36 GLN HE22 1 43 THR MG . . 5.500 3.530 2.374 4.910 . 0 0 "[ . 1 . 2]" 1
345 1 36 GLN HG3 1 41 TRP HE1 . . 5.500 2.980 2.403 4.032 . 0 0 "[ . 1 . 2]" 1
346 1 37 ARG H 1 37 ARG HG3 . . 3.990 3.008 2.406 3.383 . 0 0 "[ . 1 . 2]" 1
347 1 37 ARG H 1 38 ILE H . . 3.450 2.372 2.004 2.765 . 0 0 "[ . 1 . 2]" 1
348 1 37 ARG H 1 38 ILE HB . . 5.190 3.920 3.555 4.299 . 0 0 "[ . 1 . 2]" 1
349 1 37 ARG H 1 38 ILE HG13 . . 5.380 4.504 4.196 4.901 . 0 0 "[ . 1 . 2]" 1
350 1 37 ARG H 1 39 ILE H . . 5.050 4.047 3.610 4.559 . 0 0 "[ . 1 . 2]" 1
351 1 37 ARG H 1 40 GLY H . . 5.030 4.563 4.271 4.926 . 0 0 "[ . 1 . 2]" 1
352 1 37 ARG HA 1 37 ARG HG3 . . 3.890 3.269 3.022 3.867 . 0 0 "[ . 1 . 2]" 1
353 1 37 ARG HA 1 38 ILE MD . . 5.500 4.884 4.613 5.177 . 0 0 "[ . 1 . 2]" 1
354 1 37 ARG HG3 1 38 ILE H . . 5.110 4.921 4.361 5.166 0.056 4 0 "[ . 1 . 2]" 1
355 1 38 ILE H 1 38 ILE HB . . 3.780 2.678 2.544 2.860 . 0 0 "[ . 1 . 2]" 1
356 1 38 ILE H 1 38 ILE MD . . 4.190 4.027 3.728 4.245 0.055 10 0 "[ . 1 . 2]" 1
357 1 38 ILE H 1 38 ILE HG13 . . 4.540 4.223 4.031 4.462 . 0 0 "[ . 1 . 2]" 1
358 1 38 ILE H 1 38 ILE MG . . 4.170 3.909 3.809 4.035 . 0 0 "[ . 1 . 2]" 1
359 1 38 ILE H 1 39 ILE H . . 3.880 2.121 1.848 2.502 . 0 0 "[ . 1 . 2]" 1
360 1 38 ILE H 1 39 ILE MD . . 5.500 5.007 4.687 5.377 . 0 0 "[ . 1 . 2]" 1
361 1 38 ILE HA 1 38 ILE MD . . 3.430 2.334 2.125 2.570 . 0 0 "[ . 1 . 2]" 1
362 1 38 ILE HA 1 38 ILE MG . . 3.220 2.468 2.369 2.566 . 0 0 "[ . 1 . 2]" 1
363 1 38 ILE HA 1 39 ILE MD . . 5.370 4.784 4.447 5.275 . 0 0 "[ . 1 . 2]" 1
364 1 38 ILE HA 1 66 GLN QE . . 4.710 3.229 2.752 4.141 . 0 0 "[ . 1 . 2]" 1
365 1 38 ILE HB 1 38 ILE MD . . 3.310 3.264 3.224 3.285 . 0 0 "[ . 1 . 2]" 1
366 1 38 ILE HB 1 39 ILE H . . 3.660 2.343 1.912 3.150 . 0 0 "[ . 1 . 2]" 1
367 1 38 ILE HB 1 39 ILE MD . . 5.180 3.626 3.248 4.273 . 0 0 "[ . 1 . 2]" 1
368 1 38 ILE HB 1 40 GLY H . . 5.430 4.477 4.152 5.065 . 0 0 "[ . 1 . 2]" 1
369 1 38 ILE MD 1 39 ILE H . . 5.260 4.749 4.524 5.031 . 0 0 "[ . 1 . 2]" 1
370 1 38 ILE MD 1 66 GLN HA . . 5.410 4.295 3.994 4.512 . 0 0 "[ . 1 . 2]" 1
371 1 38 ILE MD 1 66 GLN HB3 . . 3.340 2.292 2.070 2.629 . 0 0 "[ . 1 . 2]" 1
372 1 38 ILE MD 1 66 GLN QE . . 5.330 2.925 2.469 3.448 . 0 0 "[ . 1 . 2]" 1
373 1 38 ILE HG13 1 66 GLN QE . . 5.500 5.244 4.446 5.409 . 0 0 "[ . 1 . 2]" 1
374 1 38 ILE MG 1 39 ILE H . . 3.960 3.214 2.709 3.745 . 0 0 "[ . 1 . 2]" 1
375 1 38 ILE MG 1 39 ILE HA . . 5.010 3.611 3.300 3.963 . 0 0 "[ . 1 . 2]" 1
376 1 38 ILE MG 1 39 ILE MD . . 3.840 2.398 2.165 2.686 . 0 0 "[ . 1 . 2]" 1
377 1 38 ILE MG 1 63 ILE H . . 5.500 4.832 4.433 5.184 . 0 0 "[ . 1 . 2]" 1
378 1 38 ILE MG 1 63 ILE HA . . 3.490 2.782 2.501 3.153 . 0 0 "[ . 1 . 2]" 1
379 1 38 ILE MG 1 63 ILE MG . . 3.490 2.239 1.977 2.705 . 0 0 "[ . 1 . 2]" 1
380 1 38 ILE MG 1 66 GLN H . . 5.100 4.558 4.197 4.916 . 0 0 "[ . 1 . 2]" 1
381 1 38 ILE MG 1 66 GLN HB3 . . 3.460 3.337 2.375 3.891 0.431 16 0 "[ . 1 . 2]" 1
382 1 38 ILE MG 1 66 GLN QE . . 5.500 2.758 1.852 3.912 . 0 0 "[ . 1 . 2]" 1
383 1 39 ILE H 1 39 ILE HB . . 3.650 2.448 2.354 2.550 . 0 0 "[ . 1 . 2]" 1
384 1 39 ILE H 1 39 ILE MD . . 4.100 3.386 3.062 3.913 . 0 0 "[ . 1 . 2]" 1
385 1 39 ILE H 1 39 ILE MG . . 4.790 3.761 3.709 3.850 . 0 0 "[ . 1 . 2]" 1
386 1 39 ILE H 1 40 GLY HA2 . . 5.500 4.694 4.299 5.038 . 0 0 "[ . 1 . 2]" 1
387 1 39 ILE HA 1 39 ILE MD . . 3.310 2.291 2.127 2.393 . 0 0 "[ . 1 . 2]" 1
388 1 39 ILE HA 1 39 ILE MG . . 3.410 2.427 2.327 2.557 . 0 0 "[ . 1 . 2]" 1
389 1 39 ILE HA 1 63 ILE MD . . 3.700 2.780 2.257 3.320 . 0 0 "[ . 1 . 2]" 1
390 1 39 ILE HA 1 63 ILE HG13 . . 4.970 4.166 3.647 4.612 . 0 0 "[ . 1 . 2]" 1
391 1 39 ILE HA 1 63 ILE MG . . 5.500 4.457 3.961 4.829 . 0 0 "[ . 1 . 2]" 1
392 1 39 ILE HA 1 103 ILE MD . . 4.960 3.663 3.188 4.012 . 0 0 "[ . 1 . 2]" 1
393 1 39 ILE HB 1 40 GLY H . . 3.870 3.351 2.828 3.768 . 0 0 "[ . 1 . 2]" 1
394 1 39 ILE HB 1 41 TRP H . . 4.270 2.825 2.394 3.084 . 0 0 "[ . 1 . 2]" 1
395 1 39 ILE HB 1 41 TRP HE1 . . 4.890 4.861 4.537 4.958 0.068 2 0 "[ . 1 . 2]" 1
396 1 39 ILE MD 1 39 ILE MG . . 3.650 2.144 2.093 2.208 . 0 0 "[ . 1 . 2]" 1
397 1 39 ILE MD 1 40 GLY H . . 5.500 4.819 4.683 5.042 . 0 0 "[ . 1 . 2]" 1
398 1 39 ILE MD 1 63 ILE HA . . 4.920 4.417 4.026 4.654 . 0 0 "[ . 1 . 2]" 1
399 1 39 ILE MD 1 63 ILE HB . . 5.500 4.086 3.803 4.474 . 0 0 "[ . 1 . 2]" 1
400 1 39 ILE MD 1 63 ILE MD . . 3.380 2.032 1.955 2.144 . 0 0 "[ . 1 . 2]" 1
401 1 39 ILE MD 1 63 ILE HG13 . . 5.370 3.600 2.451 3.840 . 0 0 "[ . 1 . 2]" 1
402 1 39 ILE MD 1 63 ILE MG . . 3.950 2.328 2.123 2.629 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE MD 1 100 MET ME . . 3.320 2.469 2.109 3.003 . 0 0 "[ . 1 . 2]" 1
404 1 39 ILE MD 1 103 ILE MD . . 3.810 2.321 2.122 2.686 . 0 0 "[ . 1 . 2]" 1
405 1 39 ILE MD 1 103 ILE MG . . 4.780 3.325 2.848 3.660 . 0 0 "[ . 1 . 2]" 1
406 1 39 ILE MG 1 40 GLY H . . 4.180 4.076 3.602 4.247 0.067 19 0 "[ . 1 . 2]" 1
407 1 39 ILE MG 1 41 TRP H . . 4.720 3.099 2.658 3.488 . 0 0 "[ . 1 . 2]" 1
408 1 39 ILE MG 1 41 TRP HA . . 4.770 4.119 3.811 4.307 . 0 0 "[ . 1 . 2]" 1
409 1 39 ILE MG 1 41 TRP HB3 . . 4.580 2.255 2.148 2.412 . 0 0 "[ . 1 . 2]" 1
410 1 39 ILE MG 1 41 TRP HD1 . . 5.160 4.760 4.563 4.934 . 0 0 "[ . 1 . 2]" 1
411 1 39 ILE MG 1 41 TRP HE3 . . 3.370 2.932 2.554 3.389 0.019 20 0 "[ . 1 . 2]" 1
412 1 39 ILE MG 1 41 TRP HZ3 . . 4.670 4.046 3.259 4.756 0.086 15 0 "[ . 1 . 2]" 1
413 1 39 ILE MG 1 99 LEU QD . . 3.300 2.011 1.768 2.173 . 0 0 "[ . 1 . 2]" 1
414 1 39 ILE MG 1 99 LEU HG . . 4.360 3.195 2.464 4.397 0.037 10 0 "[ . 1 . 2]" 1
415 1 39 ILE MG 1 100 MET ME . . 3.570 2.894 2.076 3.645 0.075 13 0 "[ . 1 . 2]" 1
416 1 39 ILE MG 1 103 ILE MD . . 3.770 2.125 1.996 2.596 . 0 0 "[ . 1 . 2]" 1
417 1 39 ILE MG 1 103 ILE HG13 . . 5.450 4.382 4.136 4.844 . 0 0 "[ . 1 . 2]" 1
418 1 40 GLY H 1 41 TRP H . . 3.530 2.717 2.310 2.966 . 0 0 "[ . 1 . 2]" 1
419 1 40 GLY H 1 42 GLY H . . 5.100 4.621 4.204 4.983 . 0 0 "[ . 1 . 2]" 1
420 1 41 TRP H 1 41 TRP HD1 . . 3.930 2.793 2.591 3.106 . 0 0 "[ . 1 . 2]" 1
421 1 41 TRP H 1 41 TRP HE1 . . 5.500 4.838 4.564 5.017 . 0 0 "[ . 1 . 2]" 1
422 1 41 TRP H 1 42 GLY H . . 3.740 3.086 2.777 3.281 . 0 0 "[ . 1 . 2]" 1
423 1 41 TRP HA 1 43 THR H . . 5.500 5.565 5.415 5.594 0.094 9 0 "[ . 1 . 2]" 1
424 1 41 TRP HA 1 48 ALA HA . . 4.110 2.607 2.175 3.148 . 0 0 "[ . 1 . 2]" 1
425 1 41 TRP HA 1 48 ALA MB . . 5.500 3.814 3.486 4.258 . 0 0 "[ . 1 . 2]" 1
426 1 41 TRP HB3 1 41 TRP HE3 . . 4.010 2.962 2.652 3.112 . 0 0 "[ . 1 . 2]" 1
427 1 41 TRP HB3 1 42 GLY H . . 5.500 4.552 4.450 4.609 . 0 0 "[ . 1 . 2]" 1
428 1 41 TRP HB3 1 48 ALA HA . . 4.100 3.383 3.045 3.681 . 0 0 "[ . 1 . 2]" 1
429 1 41 TRP HB3 1 48 ALA MB . . 4.400 3.657 3.405 3.984 . 0 0 "[ . 1 . 2]" 1
430 1 41 TRP HB3 1 99 LEU QD . . 4.200 2.160 1.986 2.383 . 0 0 "[ . 1 . 2]" 1
431 1 41 TRP HD1 1 42 GLY H . . 3.840 3.094 2.805 3.185 . 0 0 "[ . 1 . 2]" 1
432 1 41 TRP HD1 1 43 THR H . . 5.070 4.644 4.030 4.957 . 0 0 "[ . 1 . 2]" 1
433 1 41 TRP HD1 1 43 THR HA . . 5.500 3.832 2.987 4.613 . 0 0 "[ . 1 . 2]" 1
434 1 41 TRP HD1 1 99 LEU QD . . 5.240 5.031 4.903 5.255 0.015 8 0 "[ . 1 . 2]" 1
435 1 41 TRP HE1 1 42 GLY H . . 5.500 5.525 5.251 5.584 0.084 20 0 "[ . 1 . 2]" 1
436 1 41 TRP HE3 1 96 ARG H . . 5.340 5.414 5.400 5.422 0.082 17 0 "[ . 1 . 2]" 1
437 1 41 TRP HE3 1 96 ARG HA . . 5.230 3.004 2.738 3.365 . 0 0 "[ . 1 . 2]" 1
438 1 41 TRP HE3 1 99 LEU QD . . 3.510 2.508 2.119 2.943 . 0 0 "[ . 1 . 2]" 1
439 1 41 TRP HE3 1 100 MET ME . . 4.360 4.086 3.341 4.461 0.101 20 0 "[ . 1 . 2]" 1
440 1 41 TRP HH2 1 96 ARG HD3 . . 5.500 3.230 2.478 5.496 . 0 0 "[ . 1 . 2]" 1
441 1 41 TRP HH2 1 100 MET ME . . 5.120 3.883 2.455 5.050 . 0 0 "[ . 1 . 2]" 1
442 1 41 TRP HZ3 1 99 LEU QD . . 4.900 4.385 3.868 4.738 . 0 0 "[ . 1 . 2]" 1
443 1 41 TRP HZ3 1 100 MET ME . . 3.950 3.110 2.223 4.015 0.065 7 0 "[ . 1 . 2]" 1
444 1 41 TRP HZ3 1 100 MET HG3 . . 5.500 3.804 2.570 4.724 . 0 0 "[ . 1 . 2]" 1
445 1 42 GLY H 1 43 THR H . . 4.670 4.410 4.287 4.480 . 0 0 "[ . 1 . 2]" 1
446 1 42 GLY HA2 1 43 THR H . . 3.420 3.319 3.211 3.437 0.017 14 0 "[ . 1 . 2]" 1
447 1 42 GLY HA2 1 43 THR MG . . 5.310 4.385 3.100 5.648 0.338 17 0 "[ . 1 . 2]" 1
448 1 42 GLY HA3 1 43 THR H . . 3.400 2.141 1.991 2.222 . 0 0 "[ . 1 . 2]" 1
449 1 43 THR H 1 43 THR MG . . 4.470 3.258 2.572 4.120 . 0 0 "[ . 1 . 2]" 1
450 1 43 THR H 1 47 GLY H . . 4.150 3.590 2.855 4.221 0.071 19 0 "[ . 1 . 2]" 1
451 1 43 THR H 1 47 GLY HA2 . . 4.090 4.176 4.035 4.299 0.209 12 0 "[ . 1 . 2]" 1
452 1 43 THR H 1 47 GLY HA3 . . 4.210 2.702 2.530 2.945 . 0 0 "[ . 1 . 2]" 1
453 1 43 THR H 1 48 ALA H . . 5.260 4.593 4.206 5.009 . 0 0 "[ . 1 . 2]" 1
454 1 43 THR HA 1 43 THR MG . . 3.300 2.881 2.133 3.288 . 0 0 "[ . 1 . 2]" 1
455 1 43 THR HA 1 44 GLY H . . 2.890 2.704 2.160 2.984 0.094 18 0 "[ . 1 . 2]" 1
456 1 43 THR HA 1 44 GLY HA3 . . 5.300 4.715 4.459 4.951 . 0 0 "[ . 1 . 2]" 1
457 1 43 THR MG 1 44 GLY H . . 4.190 3.720 1.865 4.290 0.100 1 0 "[ . 1 . 2]" 1
458 1 43 THR MG 1 44 GLY HA2 . . 5.300 4.364 3.608 5.155 . 0 0 "[ . 1 . 2]" 1
459 1 43 THR MG 1 44 GLY HA3 . . 5.220 4.098 3.525 5.202 . 0 0 "[ . 1 . 2]" 1
460 1 43 THR MG 1 45 ALA H . . 5.500 5.587 5.486 5.615 0.115 15 0 "[ . 1 . 2]" 1
461 1 44 GLY H 1 45 ALA H . . 4.660 3.586 1.918 4.601 . 0 0 "[ . 1 . 2]" 1
462 1 44 GLY H 1 47 GLY H . . 5.500 3.867 2.976 5.263 . 0 0 "[ . 1 . 2]" 1
463 1 44 GLY H 1 92 THR MG . . 4.900 4.198 3.041 4.959 0.059 19 0 "[ . 1 . 2]" 1
464 1 44 GLY HA2 1 45 ALA MB . . 5.310 4.149 3.824 4.406 . 0 0 "[ . 1 . 2]" 1
465 1 44 GLY HA2 1 47 GLY H . . 5.480 5.219 4.689 5.573 0.093 13 0 "[ . 1 . 2]" 1
466 1 44 GLY HA2 1 92 THR MG . . 4.750 2.765 2.161 3.450 . 0 0 "[ . 1 . 2]" 1
467 1 44 GLY HA3 1 45 ALA MB . . 5.220 4.195 3.902 4.429 . 0 0 "[ . 1 . 2]" 1
468 1 44 GLY HA3 1 46 GLU H . . 4.360 4.037 3.389 4.438 0.078 19 0 "[ . 1 . 2]" 1
469 1 44 GLY HA3 1 47 GLY H . . 5.350 4.176 3.341 5.007 . 0 0 "[ . 1 . 2]" 1
470 1 44 GLY HA3 1 92 THR MG . . 4.640 4.051 2.958 4.727 0.087 5 0 "[ . 1 . 2]" 1
471 1 45 ALA H 1 45 ALA MB . . 3.320 2.621 2.212 3.106 . 0 0 "[ . 1 . 2]" 1
472 1 45 ALA H 1 46 GLU HB3 . . 5.460 5.663 3.885 6.971 1.511 19 9 "[*** * **1 - . *+2]" 1
473 1 45 ALA H 1 47 GLY H . . 5.500 4.035 3.015 4.687 . 0 0 "[ . 1 . 2]" 1
474 1 45 ALA H 1 92 THR HA . . 5.500 3.579 2.855 4.469 . 0 0 "[ . 1 . 2]" 1
475 1 45 ALA H 1 92 THR MG . . 5.500 2.908 2.073 4.121 . 0 0 "[ . 1 . 2]" 1
476 1 45 ALA HA 1 49 ARG H . . 4.540 4.507 4.171 4.624 0.084 12 0 "[ . 1 . 2]" 1
477 1 45 ALA HA 1 92 THR H . . 4.640 4.638 4.411 4.720 0.080 3 0 "[ . 1 . 2]" 1
478 1 45 ALA HA 1 92 THR HA . . 3.970 2.199 2.026 2.447 . 0 0 "[ . 1 . 2]" 1
479 1 45 ALA HA 1 92 THR HB . . 5.360 5.096 4.852 5.386 0.026 8 0 "[ . 1 . 2]" 1
480 1 45 ALA HA 1 92 THR MG . . 3.810 3.278 2.814 3.740 . 0 0 "[ . 1 . 2]" 1
481 1 45 ALA HA 1 95 TYR HB3 . . 4.280 4.466 3.950 5.441 1.161 12 3 "[ . -1 + . *2]" 1
482 1 45 ALA HA 1 95 TYR QD . . 4.230 2.957 2.403 3.926 . 0 0 "[ . 1 . 2]" 1
483 1 45 ALA HA 1 95 TYR QE . . 5.340 4.861 4.289 5.413 0.073 7 0 "[ . 1 . 2]" 1
484 1 45 ALA MB 1 46 GLU H . . 3.680 2.260 2.090 2.496 . 0 0 "[ . 1 . 2]" 1
485 1 45 ALA MB 1 46 GLU HG3 . . 5.310 4.621 3.742 5.313 0.003 6 0 "[ . 1 . 2]" 1
486 1 45 ALA MB 1 47 GLY H . . 5.500 4.529 4.183 4.805 . 0 0 "[ . 1 . 2]" 1
487 1 45 ALA MB 1 91 PRO HB3 . . 3.470 4.007 3.780 4.179 0.709 20 12 "[ ** . * **** -* **+]" 1
488 1 45 ALA MB 1 91 PRO HD3 . . 5.500 5.090 4.737 5.454 . 0 0 "[ . 1 . 2]" 1
489 1 45 ALA MB 1 91 PRO HG3 . . 4.440 3.792 3.399 4.258 . 0 0 "[ . 1 . 2]" 1
490 1 45 ALA MB 1 92 THR H . . 4.170 3.131 2.864 3.334 . 0 0 "[ . 1 . 2]" 1
491 1 45 ALA MB 1 92 THR HA . . 4.700 2.346 2.018 2.773 . 0 0 "[ . 1 . 2]" 1
492 1 45 ALA MB 1 92 THR MG . . 4.910 3.253 2.491 3.801 . 0 0 "[ . 1 . 2]" 1
493 1 45 ALA MB 1 93 ALA H . . 5.500 5.044 4.816 5.485 . 0 0 "[ . 1 . 2]" 1
494 1 45 ALA MB 1 95 TYR QD . . 3.500 2.395 2.124 3.215 . 0 0 "[ . 1 . 2]" 1
495 1 45 ALA MB 1 95 TYR QE . . 4.040 3.058 2.442 3.593 . 0 0 "[ . 1 . 2]" 1
496 1 46 GLU H 1 46 GLU HB3 . . 3.230 3.107 2.461 3.445 0.215 8 0 "[ . 1 . 2]" 1
497 1 46 GLU H 1 46 GLU HG3 . . 3.920 3.619 2.916 4.013 0.093 4 0 "[ . 1 . 2]" 1
498 1 46 GLU H 1 47 GLY H . . 3.430 2.879 2.658 3.172 . 0 0 "[ . 1 . 2]" 1
499 1 46 GLU H 1 47 GLY HA2 . . 5.350 5.424 5.261 5.707 0.357 12 0 "[ . 1 . 2]" 1
500 1 46 GLU H 1 48 ALA H . . 4.870 4.392 4.165 4.837 . 0 0 "[ . 1 . 2]" 1
501 1 46 GLU H 1 49 ARG H . . 5.500 4.723 4.575 4.918 . 0 0 "[ . 1 . 2]" 1
502 1 46 GLU H 1 49 ARG HB3 . . 5.210 5.038 4.634 5.360 0.150 18 0 "[ . 1 . 2]" 1
503 1 46 GLU HA 1 46 GLU HG3 . . 3.720 3.192 2.440 3.786 0.066 8 0 "[ . 1 . 2]" 1
504 1 46 GLU HA 1 48 ALA H . . 5.340 4.455 4.089 4.798 . 0 0 "[ . 1 . 2]" 1
505 1 46 GLU HA 1 49 ARG HB3 . . 3.910 2.534 2.212 2.886 . 0 0 "[ . 1 . 2]" 1
506 1 46 GLU HA 1 49 ARG HD3 . . 5.330 3.913 2.858 5.391 0.061 12 0 "[ . 1 . 2]" 1
507 1 46 GLU HB3 1 47 GLY H . . 3.760 2.815 2.364 3.474 . 0 0 "[ . 1 . 2]" 1
508 1 47 GLY H 1 48 ALA H . . 3.480 2.873 2.509 3.157 . 0 0 "[ . 1 . 2]" 1
509 1 47 GLY H 1 48 ALA MB . . 5.410 4.554 4.237 4.858 . 0 0 "[ . 1 . 2]" 1
510 1 47 GLY H 1 49 ARG H . . 4.750 4.110 3.859 4.403 . 0 0 "[ . 1 . 2]" 1
511 1 47 GLY H 1 50 GLN H . . 5.500 4.979 4.681 5.456 . 0 0 "[ . 1 . 2]" 1
512 1 47 GLY HA2 1 48 ALA MB . . 5.500 5.059 5.002 5.109 . 0 0 "[ . 1 . 2]" 1
513 1 47 GLY HA2 1 50 GLN H . . 5.150 3.875 3.085 4.201 . 0 0 "[ . 1 . 2]" 1
514 1 47 GLY HA2 1 51 ARG H . . 5.500 4.767 3.881 5.560 0.060 19 0 "[ . 1 . 2]" 1
515 1 47 GLY HA3 1 48 ALA H . . 3.560 2.780 2.509 3.008 . 0 0 "[ . 1 . 2]" 1
516 1 47 GLY HA3 1 50 GLN H . . 5.500 4.981 4.371 5.508 0.008 11 0 "[ . 1 . 2]" 1
517 1 48 ALA H 1 48 ALA MB . . 3.380 2.248 2.181 2.303 . 0 0 "[ . 1 . 2]" 1
518 1 48 ALA H 1 49 ARG H . . 3.430 2.591 2.358 2.763 . 0 0 "[ . 1 . 2]" 1
519 1 48 ALA H 1 49 ARG HA . . 5.390 5.223 4.991 5.349 . 0 0 "[ . 1 . 2]" 1
520 1 48 ALA H 1 49 ARG HB3 . . 4.970 4.752 4.398 5.051 0.081 12 0 "[ . 1 . 2]" 1
521 1 48 ALA H 1 50 GLN H . . 4.910 4.328 3.917 4.670 . 0 0 "[ . 1 . 2]" 1
522 1 48 ALA MB 1 49 ARG H . . 3.730 2.905 2.482 3.259 . 0 0 "[ . 1 . 2]" 1
523 1 48 ALA MB 1 49 ARG HA . . 4.390 4.013 3.787 4.203 . 0 0 "[ . 1 . 2]" 1
524 1 48 ALA MB 1 49 ARG HB3 . . 4.360 4.853 4.468 5.030 0.670 12 13 "[*** ** * +*** -**]" 1
525 1 48 ALA MB 1 51 ARG H . . 5.500 4.738 4.457 5.057 . 0 0 "[ . 1 . 2]" 1
526 1 48 ALA MB 1 95 TYR H . . 4.610 4.278 4.032 4.604 . 0 0 "[ . 1 . 2]" 1
527 1 48 ALA MB 1 95 TYR HB3 . . 4.160 2.282 2.062 2.673 . 0 0 "[ . 1 . 2]" 1
528 1 48 ALA MB 1 96 ARG HB3 . . 4.300 3.561 2.361 4.442 0.142 5 0 "[ . 1 . 2]" 1
529 1 49 ARG H 1 49 ARG HB3 . . 3.390 2.417 2.218 2.628 . 0 0 "[ . 1 . 2]" 1
530 1 49 ARG H 1 49 ARG HD3 . . 5.500 4.720 4.274 5.066 . 0 0 "[ . 1 . 2]" 1
531 1 49 ARG H 1 49 ARG HG3 . . 4.740 4.563 4.445 4.679 . 0 0 "[ . 1 . 2]" 1
532 1 49 ARG H 1 50 GLN H . . 3.280 2.614 2.251 3.109 . 0 0 "[ . 1 . 2]" 1
533 1 49 ARG H 1 50 GLN QE . . 5.500 4.977 3.888 5.401 . 0 0 "[ . 1 . 2]" 1
534 1 49 ARG H 1 95 TYR QD . . 5.120 4.182 3.863 4.691 . 0 0 "[ . 1 . 2]" 1
535 1 49 ARG H 1 95 TYR QE . . 5.500 5.158 4.654 5.564 0.064 12 0 "[ . 1 . 2]" 1
536 1 49 ARG HA 1 49 ARG HD3 . . 4.820 4.416 3.607 4.901 0.081 13 0 "[ . 1 . 2]" 1
537 1 49 ARG HA 1 49 ARG HG3 . . 4.110 3.042 2.546 3.750 . 0 0 "[ . 1 . 2]" 1
538 1 49 ARG HA 1 51 ARG H . . 5.470 4.318 3.939 5.101 . 0 0 "[ . 1 . 2]" 1
539 1 49 ARG HA 1 52 LEU H . . 4.270 3.853 3.359 4.346 0.076 5 0 "[ . 1 . 2]" 1
540 1 49 ARG HA 1 52 LEU HB3 . . 4.310 2.770 2.318 3.128 . 0 0 "[ . 1 . 2]" 1
541 1 49 ARG HA 1 52 LEU QD . . 3.630 3.019 2.675 3.637 0.007 13 0 "[ . 1 . 2]" 1
542 1 49 ARG HA 1 52 LEU HG . . 4.550 4.459 3.697 4.637 0.087 13 0 "[ . 1 . 2]" 1
543 1 49 ARG HA 1 53 GLU H . . 4.820 4.123 3.715 4.862 0.042 12 0 "[ . 1 . 2]" 1
544 1 49 ARG HA 1 95 TYR HA . . 5.390 4.730 4.418 5.113 . 0 0 "[ . 1 . 2]" 1
545 1 49 ARG HA 1 95 TYR QD . . 3.740 2.844 2.372 3.341 . 0 0 "[ . 1 . 2]" 1
546 1 49 ARG HA 1 95 TYR QE . . 4.510 3.787 3.191 4.566 0.056 19 0 "[ . 1 . 2]" 1
547 1 49 ARG HB3 1 49 ARG HD3 . . 4.100 2.512 2.089 3.126 . 0 0 "[ . 1 . 2]" 1
548 1 49 ARG HB3 1 50 GLN H . . 4.030 2.562 2.262 2.952 . 0 0 "[ . 1 . 2]" 1
549 1 49 ARG HB3 1 95 TYR QD . . 5.500 4.556 4.153 4.977 . 0 0 "[ . 1 . 2]" 1
550 1 49 ARG HB3 1 95 TYR QE . . 5.430 4.538 4.236 4.742 . 0 0 "[ . 1 . 2]" 1
551 1 49 ARG HD3 1 50 GLN H . . 5.500 4.027 3.176 4.691 . 0 0 "[ . 1 . 2]" 1
552 1 49 ARG HD3 1 50 GLN QE . . 4.810 2.823 1.735 4.079 . 0 0 "[ . 1 . 2]" 1
553 1 49 ARG HD3 1 95 TYR QD . . 5.500 5.612 4.947 6.263 0.763 3 3 "[ + . * - . 2]" 1
554 1 49 ARG HG3 1 50 GLN H . . 4.800 4.844 4.415 5.202 0.402 12 0 "[ . 1 . 2]" 1
555 1 49 ARG HG3 1 50 GLN HA . . 5.210 5.262 4.387 5.817 0.607 4 1 "[ +. 1 . 2]" 1
556 1 49 ARG HG3 1 95 TYR QE . . 5.500 2.816 2.478 3.089 . 0 0 "[ . 1 . 2]" 1
557 1 50 GLN H 1 50 GLN HG3 . . 3.810 3.471 2.475 4.006 0.196 17 0 "[ . 1 . 2]" 1
558 1 50 GLN H 1 51 ARG H . . 3.560 2.701 2.624 2.818 . 0 0 "[ . 1 . 2]" 1
559 1 50 GLN H 1 51 ARG HA . . 5.200 5.280 5.267 5.288 0.088 15 0 "[ . 1 . 2]" 1
560 1 50 GLN HA 1 50 GLN HB3 . . 2.700 2.525 2.272 2.683 . 0 0 "[ . 1 . 2]" 1
561 1 50 GLN HA 1 50 GLN QE . . 5.150 3.787 2.037 4.610 . 0 0 "[ . 1 . 2]" 1
562 1 50 GLN HA 1 50 GLN HG3 . . 3.520 3.342 2.402 3.841 0.321 12 0 "[ . 1 . 2]" 1
563 1 50 GLN HA 1 53 GLU HG3 . . 4.870 4.789 3.838 4.953 0.083 5 0 "[ . 1 . 2]" 1
564 1 50 GLN HA 1 54 ASN HD22 . . 4.990 3.500 2.943 3.959 . 0 0 "[ . 1 . 2]" 1
565 1 51 ARG H 1 51 ARG HD3 . . 4.970 4.212 2.635 4.915 . 0 0 "[ . 1 . 2]" 1
566 1 51 ARG H 1 51 ARG HG3 . . 5.160 4.354 3.685 4.734 . 0 0 "[ . 1 . 2]" 1
567 1 51 ARG H 1 52 LEU H . . 3.520 2.538 1.972 3.474 . 0 0 "[ . 1 . 2]" 1
568 1 51 ARG H 1 99 LEU QD . . 5.300 3.809 3.380 4.382 . 0 0 "[ . 1 . 2]" 1
569 1 51 ARG HA 1 51 ARG HD3 . . 3.640 2.926 2.023 3.711 0.071 8 0 "[ . 1 . 2]" 1
570 1 51 ARG HA 1 54 ASN H . . 4.410 4.416 4.052 4.499 0.089 20 0 "[ . 1 . 2]" 1
571 1 51 ARG HA 1 54 ASN HD21 . . 5.120 3.532 2.722 5.182 0.062 9 0 "[ . 1 . 2]" 1
572 1 51 ARG HA 1 54 ASN HD22 . . 5.170 2.701 2.135 3.641 . 0 0 "[ . 1 . 2]" 1
573 1 52 LEU H 1 52 LEU HB3 . . 3.490 2.286 2.116 2.777 . 0 0 "[ . 1 . 2]" 1
574 1 52 LEU H 1 52 LEU QD . . 4.360 3.789 3.630 4.031 . 0 0 "[ . 1 . 2]" 1
575 1 52 LEU H 1 52 LEU HG . . 4.670 4.304 4.066 4.743 0.073 14 0 "[ . 1 . 2]" 1
576 1 52 LEU H 1 53 GLU H . . 3.640 2.644 2.190 3.123 . 0 0 "[ . 1 . 2]" 1
577 1 52 LEU H 1 53 GLU HG3 . . 5.470 4.213 3.611 4.816 . 0 0 "[ . 1 . 2]" 1
578 1 52 LEU H 1 54 ASN H . . 5.500 3.969 2.869 4.618 . 0 0 "[ . 1 . 2]" 1
579 1 52 LEU H 1 54 ASN HD21 . . 5.500 4.582 3.004 5.559 0.059 9 0 "[ . 1 . 2]" 1
580 1 52 LEU HA 1 52 LEU QD . . 3.100 2.374 2.169 2.571 . 0 0 "[ . 1 . 2]" 1
581 1 52 LEU HA 1 52 LEU HG . . 3.780 3.534 3.282 3.761 . 0 0 "[ . 1 . 2]" 1
582 1 52 LEU HA 1 54 ASN H . . 4.840 4.043 3.740 4.232 . 0 0 "[ . 1 . 2]" 1
583 1 52 LEU HA 1 55 ILE H . . 4.760 4.254 3.756 4.687 . 0 0 "[ . 1 . 2]" 1
584 1 52 LEU HA 1 55 ILE HB . . 4.910 3.241 2.602 3.743 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU HA 1 55 ILE MD . . 3.660 3.017 2.493 3.466 . 0 0 "[ . 1 . 2]" 1
586 1 52 LEU HA 1 55 ILE MG . . 5.380 4.401 3.449 5.008 . 0 0 "[ . 1 . 2]" 1
587 1 52 LEU HA 1 99 LEU HA . . 3.640 3.288 2.438 3.681 0.041 2 0 "[ . 1 . 2]" 1
588 1 52 LEU HA 1 99 LEU QD . . 3.200 2.391 1.970 3.077 . 0 0 "[ . 1 . 2]" 1
589 1 52 LEU HB3 1 53 GLU H . . 4.090 2.254 1.928 2.544 . 0 0 "[ . 1 . 2]" 1
590 1 52 LEU QD 1 53 GLU H . . 4.590 3.197 2.611 3.468 . 0 0 "[ . 1 . 2]" 1
591 1 52 LEU QD 1 53 GLU HA . . 5.150 2.798 1.947 3.447 . 0 0 "[ . 1 . 2]" 1
592 1 52 LEU QD 1 95 TYR HA . . 4.140 2.943 2.462 3.941 . 0 0 "[ . 1 . 2]" 1
593 1 52 LEU QD 1 95 TYR QD . . 3.260 2.266 1.999 2.942 . 0 0 "[ . 1 . 2]" 1
594 1 52 LEU QD 1 98 ARG H . . 4.960 4.086 3.616 4.592 . 0 0 "[ . 1 . 2]" 1
595 1 52 LEU QD 1 98 ARG HD3 . . 4.620 2.783 2.136 3.343 . 0 0 "[ . 1 . 2]" 1
596 1 52 LEU QD 1 99 LEU H . . 4.190 2.967 2.486 3.565 . 0 0 "[ . 1 . 2]" 1
597 1 52 LEU QD 1 99 LEU HA . . 3.100 2.048 1.957 2.251 . 0 0 "[ . 1 . 2]" 1
598 1 52 LEU QD 1 102 LYS H . . 4.350 3.742 3.334 4.255 . 0 0 "[ . 1 . 2]" 1
599 1 52 LEU QD 1 102 LYS HB3 . . 4.510 3.615 2.881 4.514 0.004 8 0 "[ . 1 . 2]" 1
600 1 52 LEU HG 1 53 GLU H . . 4.500 3.275 2.630 4.436 . 0 0 "[ . 1 . 2]" 1
601 1 52 LEU HG 1 53 GLU HA . . 4.360 3.368 2.449 4.467 0.107 7 0 "[ . 1 . 2]" 1
602 1 53 GLU H 1 53 GLU HG3 . . 3.730 2.134 1.928 2.441 . 0 0 "[ . 1 . 2]" 1
603 1 53 GLU H 1 54 ASN HA . . 5.500 5.415 5.253 5.518 0.018 6 0 "[ . 1 . 2]" 1
604 1 53 GLU H 1 54 ASN HD21 . . 5.360 4.228 2.938 4.950 . 0 0 "[ . 1 . 2]" 1
605 1 53 GLU H 1 95 TYR QD . . 5.500 5.558 5.431 5.589 0.089 7 0 "[ . 1 . 2]" 1
606 1 53 GLU HA 1 53 GLU HB3 . . 2.910 2.432 2.258 2.574 . 0 0 "[ . 1 . 2]" 1
607 1 53 GLU HA 1 53 GLU HG3 . . 3.760 3.420 3.039 3.807 0.047 18 0 "[ . 1 . 2]" 1
608 1 53 GLU HA 1 54 ASN HA . . 4.530 4.609 4.582 4.626 0.096 19 0 "[ . 1 . 2]" 1
609 1 53 GLU HA 1 55 ILE H . . 5.450 4.182 3.806 4.468 . 0 0 "[ . 1 . 2]" 1
610 1 53 GLU HB3 1 54 ASN HA . . 5.370 5.092 4.453 5.383 0.013 12 0 "[ . 1 . 2]" 1
611 1 53 GLU HG3 1 54 ASN H . . 5.500 4.566 4.186 4.766 . 0 0 "[ . 1 . 2]" 1
612 1 53 GLU HG3 1 54 ASN HD22 . . 5.500 5.180 4.129 5.591 0.091 8 0 "[ . 1 . 2]" 1
613 1 54 ASN H 1 54 ASN HB3 . . 3.630 3.386 3.186 3.571 . 0 0 "[ . 1 . 2]" 1
614 1 54 ASN H 1 54 ASN HD21 . . 4.290 2.694 2.117 3.679 . 0 0 "[ . 1 . 2]" 1
615 1 54 ASN H 1 54 ASN HD22 . . 4.580 3.098 2.727 3.502 . 0 0 "[ . 1 . 2]" 1
616 1 54 ASN H 1 55 ILE H . . 3.270 2.393 2.045 3.082 . 0 0 "[ . 1 . 2]" 1
617 1 54 ASN H 1 55 ILE HA . . 4.450 4.161 3.877 4.505 0.055 12 0 "[ . 1 . 2]" 1
618 1 54 ASN H 1 55 ILE HB . . 4.630 3.882 3.536 4.423 . 0 0 "[ . 1 . 2]" 1
619 1 54 ASN H 1 55 ILE MD . . 4.900 4.900 4.534 5.005 0.105 16 0 "[ . 1 . 2]" 1
620 1 54 ASN HA 1 54 ASN HD21 . . 4.430 3.958 3.716 4.379 . 0 0 "[ . 1 . 2]" 1
621 1 54 ASN HA 1 54 ASN HD22 . . 5.500 4.984 4.876 5.143 . 0 0 "[ . 1 . 2]" 1
622 1 54 ASN HB3 1 55 ILE H . . 4.630 4.662 4.600 4.697 0.067 13 0 "[ . 1 . 2]" 1
623 1 54 ASN HB3 1 56 GLN HE21 . . 5.500 5.401 4.838 6.037 0.537 2 1 "[ + . 1 . 2]" 1
624 1 54 ASN HD21 1 55 ILE H . . 5.500 4.087 3.207 5.552 0.052 9 0 "[ . 1 . 2]" 1
625 1 54 ASN HD22 1 55 ILE H . . 5.500 4.994 4.466 5.555 0.055 16 0 "[ . 1 . 2]" 1
626 1 55 ILE H 1 55 ILE HB . . 3.180 2.258 2.070 2.510 . 0 0 "[ . 1 . 2]" 1
627 1 55 ILE H 1 55 ILE HG13 . . 4.890 4.382 4.142 4.590 . 0 0 "[ . 1 . 2]" 1
628 1 55 ILE H 1 55 ILE MG . . 4.110 2.402 2.175 2.638 . 0 0 "[ . 1 . 2]" 1
629 1 55 ILE H 1 56 GLN H . . 4.640 4.679 4.622 4.702 0.062 16 0 "[ . 1 . 2]" 1
630 1 55 ILE HA 1 55 ILE MD . . 3.670 2.924 2.105 3.582 . 0 0 "[ . 1 . 2]" 1
631 1 55 ILE HA 1 55 ILE HG13 . . 3.660 2.403 2.162 2.802 . 0 0 "[ . 1 . 2]" 1
632 1 55 ILE HA 1 56 GLN H . . 2.870 2.446 2.303 2.546 . 0 0 "[ . 1 . 2]" 1
633 1 55 ILE HA 1 56 GLN HA . . 4.610 4.509 4.382 4.586 . 0 0 "[ . 1 . 2]" 1
634 1 55 ILE HA 1 56 GLN HE21 . . 5.500 3.348 2.306 4.426 . 0 0 "[ . 1 . 2]" 1
635 1 55 ILE HA 1 56 GLN HE22 . . 5.500 4.461 2.567 5.530 0.030 15 0 "[ . 1 . 2]" 1
636 1 55 ILE HA 1 59 ASP HB3 . . 4.450 4.458 4.082 4.724 0.274 17 0 "[ . 1 . 2]" 1
637 1 55 ILE HB 1 55 ILE MD . . 3.430 2.185 2.101 2.294 . 0 0 "[ . 1 . 2]" 1
638 1 55 ILE HB 1 56 GLN H . . 4.180 4.057 3.923 4.191 0.011 6 0 "[ . 1 . 2]" 1
639 1 55 ILE MD 1 56 GLN H . . 4.270 3.585 2.935 4.083 . 0 0 "[ . 1 . 2]" 1
640 1 55 ILE MD 1 59 ASP HB3 . . 4.940 2.896 2.151 3.560 . 0 0 "[ . 1 . 2]" 1
641 1 55 ILE HG13 1 55 ILE MG . . 3.660 2.939 2.465 3.233 . 0 0 "[ . 1 . 2]" 1
642 1 55 ILE HG13 1 56 GLN H . . 3.880 2.163 1.805 2.667 . 0 0 "[ . 1 . 2]" 1
643 1 55 ILE HG13 1 59 ASP H . . 5.500 4.519 4.006 4.994 . 0 0 "[ . 1 . 2]" 1
644 1 55 ILE HG13 1 59 ASP HB3 . . 3.970 2.819 2.136 3.283 . 0 0 "[ . 1 . 2]" 1
645 1 55 ILE HG13 1 60 VAL H . . 5.240 4.952 4.356 5.739 0.499 9 0 "[ . 1 . 2]" 1
646 1 55 ILE MG 1 56 GLN H . . 4.230 3.183 2.913 3.498 . 0 0 "[ . 1 . 2]" 1
647 1 55 ILE MG 1 59 ASP H . . 5.500 5.385 5.080 5.588 0.088 5 0 "[ . 1 . 2]" 1
648 1 55 ILE MG 1 59 ASP HB3 . . 4.890 4.893 4.248 5.403 0.513 4 1 "[ +. 1 . 2]" 1
649 1 55 ILE MG 1 60 VAL H . . 5.500 5.503 5.253 5.594 0.094 13 0 "[ . 1 . 2]" 1
650 1 56 GLN H 1 56 GLN HB3 . . 3.660 3.719 3.570 3.809 0.149 16 0 "[ . 1 . 2]" 1
651 1 56 GLN H 1 56 GLN HE21 . . 5.500 3.752 2.911 4.718 . 0 0 "[ . 1 . 2]" 1
652 1 56 GLN H 1 56 GLN HE22 . . 5.500 4.803 3.019 5.558 0.058 5 0 "[ . 1 . 2]" 1
653 1 56 GLN H 1 57 PRO HD3 . . 5.480 5.009 4.848 5.312 . 0 0 "[ . 1 . 2]" 1
654 1 56 GLN H 1 58 ALA H . . 5.500 4.733 4.449 5.002 . 0 0 "[ . 1 . 2]" 1
655 1 56 GLN H 1 59 ASP H . . 4.110 3.453 3.035 3.677 . 0 0 "[ . 1 . 2]" 1
656 1 56 GLN H 1 59 ASP HA . . 5.280 5.105 4.738 5.365 0.085 2 0 "[ . 1 . 2]" 1
657 1 56 GLN H 1 59 ASP HB3 . . 3.950 3.308 2.653 3.747 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLN H 1 60 VAL H . . 5.410 4.808 4.261 5.277 . 0 0 "[ . 1 . 2]" 1
659 1 56 GLN H 1 60 VAL QG . . 5.200 4.628 3.716 5.124 . 0 0 "[ . 1 . 2]" 1
660 1 56 GLN H 1 106 LEU QD . . 5.440 4.165 3.815 4.457 . 0 0 "[ . 1 . 2]" 1
661 1 56 GLN HA 1 56 GLN HE21 . . 4.810 3.897 2.926 4.878 0.068 16 0 "[ . 1 . 2]" 1
662 1 56 GLN HA 1 56 GLN HE22 . . 5.240 4.670 3.327 5.318 0.078 14 0 "[ . 1 . 2]" 1
663 1 56 GLN HA 1 56 GLN HG3 . . 3.730 3.262 2.160 3.958 0.228 2 0 "[ . 1 . 2]" 1
664 1 56 GLN HA 1 57 PRO HD3 . . 3.100 2.448 2.153 2.745 . 0 0 "[ . 1 . 2]" 1
665 1 56 GLN HA 1 58 ALA H . . 5.220 4.125 3.926 4.407 . 0 0 "[ . 1 . 2]" 1
666 1 56 GLN HA 1 59 ASP H . . 5.500 4.566 4.392 4.779 . 0 0 "[ . 1 . 2]" 1
667 1 56 GLN HA 1 106 LEU QD . . 4.340 3.929 3.623 4.164 . 0 0 "[ . 1 . 2]" 1
668 1 56 GLN HB3 1 57 PRO HD3 . . 4.260 3.551 3.216 4.273 0.013 2 0 "[ . 1 . 2]" 1
669 1 56 GLN HB3 1 58 ALA H . . 4.320 2.855 2.307 4.393 0.073 8 0 "[ . 1 . 2]" 1
670 1 56 GLN HG3 1 58 ALA H . . 5.210 4.786 3.273 5.267 0.057 6 0 "[ . 1 . 2]" 1
671 1 56 GLN HG3 1 58 ALA MB . . 5.500 4.580 2.567 5.859 0.359 13 0 "[ . 1 . 2]" 1
672 1 56 GLN HG3 1 59 ASP H . . 5.320 4.977 3.021 5.661 0.341 13 0 "[ . 1 . 2]" 1
673 1 57 PRO HA 1 60 VAL H . . 5.360 3.661 3.114 4.239 . 0 0 "[ . 1 . 2]" 1
674 1 57 PRO HA 1 60 VAL QG . . 3.820 2.603 2.074 3.837 0.017 9 0 "[ . 1 . 2]" 1
675 1 57 PRO HA 1 106 LEU HB3 . . 5.210 3.085 2.449 3.551 . 0 0 "[ . 1 . 2]" 1
676 1 57 PRO HA 1 106 LEU QD . . 3.980 2.443 2.164 2.800 . 0 0 "[ . 1 . 2]" 1
677 1 57 PRO HB3 1 58 ALA H . . 3.820 4.331 4.180 4.513 0.693 13 12 "[* *. **** +** *-*]" 1
678 1 57 PRO HB3 1 58 ALA HA . . 4.920 5.745 5.565 5.862 0.942 19 20 [***************-**+*] 1
679 1 57 PRO HB3 1 106 LEU QD . . 5.360 2.756 2.245 3.127 . 0 0 "[ . 1 . 2]" 1
680 1 57 PRO HD3 1 58 ALA H . . 5.000 3.950 3.715 4.164 . 0 0 "[ . 1 . 2]" 1
681 1 57 PRO HD3 1 58 ALA MB . . 5.500 5.353 5.141 5.575 0.075 13 0 "[ . 1 . 2]" 1
682 1 57 PRO HD3 1 106 LEU QD . . 4.930 3.491 2.928 3.752 . 0 0 "[ . 1 . 2]" 1
683 1 58 ALA H 1 58 ALA MB . . 3.200 2.222 2.133 2.373 . 0 0 "[ . 1 . 2]" 1
684 1 58 ALA H 1 59 ASP H . . 3.670 2.536 2.199 2.825 . 0 0 "[ . 1 . 2]" 1
685 1 58 ALA H 1 59 ASP HB3 . . 5.500 5.674 4.844 6.227 0.727 12 5 "[ **- 1 + . * 2]" 1
686 1 58 ALA H 1 60 VAL H . . 5.140 4.167 3.933 4.344 . 0 0 "[ . 1 . 2]" 1
687 1 58 ALA H 1 61 SER H . . 5.250 4.963 4.749 5.277 0.027 18 0 "[ . 1 . 2]" 1
688 1 58 ALA H 1 106 LEU QD . . 5.500 4.896 4.692 5.225 . 0 0 "[ . 1 . 2]" 1
689 1 58 ALA HA 1 60 VAL H . . 3.940 3.949 3.543 4.022 0.082 8 0 "[ . 1 . 2]" 1
690 1 58 ALA HA 1 61 SER H . . 3.540 3.314 2.868 3.601 0.061 6 0 "[ . 1 . 2]" 1
691 1 58 ALA HA 1 62 MET H . . 5.330 4.842 3.902 5.376 0.046 19 0 "[ . 1 . 2]" 1
692 1 58 ALA MB 1 59 ASP H . . 3.550 2.914 2.619 3.161 . 0 0 "[ . 1 . 2]" 1
693 1 58 ALA MB 1 59 ASP HA . . 4.700 3.901 3.666 4.117 . 0 0 "[ . 1 . 2]" 1
694 1 58 ALA MB 1 59 ASP HB3 . . 5.250 5.331 4.915 5.662 0.412 4 0 "[ . 1 . 2]" 1
695 1 58 ALA MB 1 60 VAL H . . 4.940 4.473 4.188 4.640 . 0 0 "[ . 1 . 2]" 1
696 1 58 ALA MB 1 61 SER H . . 4.790 4.611 4.092 4.862 0.072 3 0 "[ . 1 . 2]" 1
697 1 58 ALA MB 1 62 MET H . . 5.500 5.233 4.339 5.588 0.088 16 0 "[ . 1 . 2]" 1
698 1 59 ASP H 1 59 ASP HB3 . . 3.450 3.223 2.517 3.611 0.161 17 0 "[ . 1 . 2]" 1
699 1 59 ASP H 1 60 VAL H . . 3.250 2.501 2.219 2.687 . 0 0 "[ . 1 . 2]" 1
700 1 59 ASP H 1 60 VAL HA . . 5.350 5.189 4.931 5.357 0.007 1 0 "[ . 1 . 2]" 1
701 1 59 ASP H 1 60 VAL QG . . 4.600 3.647 3.260 3.999 . 0 0 "[ . 1 . 2]" 1
702 1 59 ASP H 1 61 SER H . . 4.860 4.179 3.893 4.437 . 0 0 "[ . 1 . 2]" 1
703 1 59 ASP HA 1 61 SER H . . 5.450 4.695 3.940 5.025 . 0 0 "[ . 1 . 2]" 1
704 1 59 ASP HA 1 62 MET H . . 4.530 4.136 3.642 4.517 . 0 0 "[ . 1 . 2]" 1
705 1 59 ASP HA 1 62 MET ME . . 4.560 4.227 3.704 4.643 0.083 19 0 "[ . 1 . 2]" 1
706 1 59 ASP HA 1 62 MET HG3 . . 4.800 4.212 3.651 4.795 . 0 0 "[ . 1 . 2]" 1
707 1 59 ASP HB3 1 60 VAL H . . 3.930 3.527 2.961 4.081 0.151 17 0 "[ . 1 . 2]" 1
708 1 59 ASP HB3 1 60 VAL HB . . 5.110 5.052 4.324 5.986 0.876 17 4 "[ * 1 -* . + 2]" 1
709 1 59 ASP HB3 1 60 VAL QG . . 4.390 4.109 3.096 4.719 0.329 18 0 "[ . 1 . 2]" 1
710 1 60 VAL H 1 60 VAL HB . . 3.340 2.793 2.330 3.095 . 0 0 "[ . 1 . 2]" 1
711 1 60 VAL H 1 60 VAL QG . . 3.190 2.101 1.790 2.506 . 0 0 "[ . 1 . 2]" 1
712 1 60 VAL H 1 61 SER H . . 3.390 2.393 2.185 2.664 . 0 0 "[ . 1 . 2]" 1
713 1 60 VAL H 1 62 MET H . . 4.650 4.089 3.823 4.339 . 0 0 "[ . 1 . 2]" 1
714 1 60 VAL H 1 106 LEU QD . . 5.500 4.207 3.705 4.676 . 0 0 "[ . 1 . 2]" 1
715 1 60 VAL HA 1 62 MET H . . 4.520 3.808 3.429 4.452 . 0 0 "[ . 1 . 2]" 1
716 1 60 VAL HA 1 62 MET HG3 . . 5.300 5.300 4.441 5.801 0.501 12 1 "[ . 1 + . 2]" 1
717 1 60 VAL HA 1 63 ILE MD . . 3.180 2.247 2.033 3.296 0.116 10 0 "[ . 1 . 2]" 1
718 1 60 VAL HA 1 103 ILE MG . . 4.120 2.756 2.408 3.261 . 0 0 "[ . 1 . 2]" 1
719 1 60 VAL HB 1 61 SER H . . 4.070 3.576 2.376 4.132 0.062 16 0 "[ . 1 . 2]" 1
720 1 60 VAL HB 1 107 TRP HA . . 5.320 4.884 4.216 5.351 0.031 8 0 "[ . 1 . 2]" 1
721 1 60 VAL QG 1 61 SER H . . 3.940 2.414 1.749 3.647 . 0 0 "[ . 1 . 2]" 1
722 1 60 VAL QG 1 61 SER HA . . 4.460 3.350 2.849 3.944 . 0 0 "[ . 1 . 2]" 1
723 1 60 VAL QG 1 103 ILE HA . . 3.070 2.644 1.874 3.035 . 0 0 "[ . 1 . 2]" 1
724 1 60 VAL QG 1 103 ILE MG . . 2.980 2.065 1.920 2.199 . 0 0 "[ . 1 . 2]" 1
725 1 60 VAL QG 1 106 LEU H . . 4.590 3.390 2.741 3.806 . 0 0 "[ . 1 . 2]" 1
726 1 60 VAL QG 1 106 LEU HA . . 5.280 3.883 3.684 4.182 . 0 0 "[ . 1 . 2]" 1
727 1 60 VAL QG 1 106 LEU HB3 . . 3.370 2.374 2.023 3.106 . 0 0 "[ . 1 . 2]" 1
728 1 60 VAL QG 1 106 LEU HG . . 5.500 3.953 3.399 4.238 . 0 0 "[ . 1 . 2]" 1
729 1 60 VAL QG 1 107 TRP H . . 4.640 3.529 3.112 3.750 . 0 0 "[ . 1 . 2]" 1
730 1 60 VAL QG 1 107 TRP HA . . 3.550 2.448 2.154 2.892 . 0 0 "[ . 1 . 2]" 1
731 1 60 VAL QG 1 107 TRP HB3 . . 5.200 4.553 4.350 4.833 . 0 0 "[ . 1 . 2]" 1
732 1 60 VAL QG 1 107 TRP HE3 . . 3.460 2.238 2.062 2.515 . 0 0 "[ . 1 . 2]" 1
733 1 60 VAL QG 1 107 TRP HZ3 . . 3.700 2.705 2.303 3.412 . 0 0 "[ . 1 . 2]" 1
734 1 61 SER H 1 62 MET H . . 3.480 3.035 2.296 3.315 . 0 0 "[ . 1 . 2]" 1
735 1 61 SER H 1 62 MET HG3 . . 5.500 6.147 5.486 6.545 1.045 15 16 "[* * ****-** **+ ****]" 1
736 1 61 SER HA 1 62 MET H . . 3.270 3.090 2.786 3.364 0.094 2 0 "[ . 1 . 2]" 1
737 1 61 SER HA 1 62 MET HA . . 4.880 4.519 4.193 4.891 0.011 1 0 "[ . 1 . 2]" 1
738 1 61 SER HA 1 62 MET HG3 . . 5.500 6.320 6.036 6.638 1.138 13 20 [******-*****+*******] 1
739 1 61 SER HA 1 63 ILE H . . 4.830 4.009 3.495 4.487 . 0 0 "[ . 1 . 2]" 1
740 1 61 SER HA 1 64 LYS H . . 4.140 3.637 3.215 4.120 . 0 0 "[ . 1 . 2]" 1
741 1 61 SER HA 1 64 LYS HD3 . . 4.090 2.218 1.986 2.883 . 0 0 "[ . 1 . 2]" 1
742 1 61 SER HA 1 64 LYS HG3 . . 4.740 4.470 3.813 4.818 0.078 9 0 "[ . 1 . 2]" 1
743 1 62 MET H 1 62 MET HG3 . . 3.980 3.459 3.079 3.831 . 0 0 "[ . 1 . 2]" 1
744 1 62 MET H 1 63 ILE H . . 3.490 2.103 1.712 2.831 . 0 0 "[ . 1 . 2]" 1
745 1 62 MET H 1 63 ILE HB . . 4.860 4.232 3.620 4.942 0.082 12 0 "[ . 1 . 2]" 1
746 1 62 MET H 1 63 ILE MD . . 5.110 4.315 3.809 4.904 . 0 0 "[ . 1 . 2]" 1
747 1 62 MET H 1 63 ILE HG13 . . 5.220 3.714 3.026 5.419 0.199 10 0 "[ . 1 . 2]" 1
748 1 62 MET H 1 64 LYS H . . 4.750 3.799 3.131 4.514 . 0 0 "[ . 1 . 2]" 1
749 1 62 MET H 1 64 LYS HD3 . . 5.500 4.449 3.606 5.533 0.033 20 0 "[ . 1 . 2]" 1
750 1 62 MET H 1 65 LYS H . . 5.380 4.871 4.462 5.321 . 0 0 "[ . 1 . 2]" 1
751 1 62 MET HA 1 62 MET ME . . 4.000 4.087 4.057 4.105 0.105 16 0 "[ . 1 . 2]" 1
752 1 62 MET HA 1 62 MET HG3 . . 3.910 3.758 3.665 3.811 . 0 0 "[ . 1 . 2]" 1
753 1 62 MET HA 1 64 LYS H . . 4.710 4.372 4.148 4.531 . 0 0 "[ . 1 . 2]" 1
754 1 62 MET HA 1 65 LYS H . . 3.740 3.571 3.374 3.767 0.027 5 0 "[ . 1 . 2]" 1
755 1 62 MET HA 1 65 LYS HG3 . . 4.810 4.771 4.369 4.926 0.116 14 0 "[ . 1 . 2]" 1
756 1 62 MET HA 1 66 GLN H . . 5.430 5.312 5.022 5.503 0.073 9 0 "[ . 1 . 2]" 1
757 1 62 MET HA 1 66 GLN QE . . 5.210 3.704 3.362 4.287 . 0 0 "[ . 1 . 2]" 1
758 1 62 MET ME 1 63 ILE H . . 4.850 4.835 4.428 4.949 0.099 9 0 "[ . 1 . 2]" 1
759 1 62 MET ME 1 63 ILE MD . . 5.500 5.220 3.957 5.592 0.092 14 0 "[ . 1 . 2]" 1
760 1 62 MET ME 1 66 GLN QE . . 4.610 2.891 2.207 3.617 . 0 0 "[ . 1 . 2]" 1
761 1 62 MET HG3 1 63 ILE H . . 4.990 2.864 2.487 3.092 . 0 0 "[ . 1 . 2]" 1
762 1 62 MET HG3 1 66 GLN QE . . 5.010 2.921 1.976 3.795 . 0 0 "[ . 1 . 2]" 1
763 1 63 ILE H 1 63 ILE HB . . 3.310 2.417 2.232 2.675 . 0 0 "[ . 1 . 2]" 1
764 1 63 ILE H 1 63 ILE MD . . 3.890 3.241 2.765 3.370 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE H 1 63 ILE HG13 . . 3.760 2.201 1.814 3.505 . 0 0 "[ . 1 . 2]" 1
766 1 63 ILE H 1 63 ILE MG . . 3.910 3.726 3.684 3.776 . 0 0 "[ . 1 . 2]" 1
767 1 63 ILE H 1 64 LYS H . . 3.300 2.657 2.554 2.834 . 0 0 "[ . 1 . 2]" 1
768 1 63 ILE H 1 64 LYS HD3 . . 5.450 4.406 3.571 5.480 0.030 20 0 "[ . 1 . 2]" 1
769 1 63 ILE H 1 66 GLN H . . 5.140 5.192 4.951 5.232 0.092 7 0 "[ . 1 . 2]" 1
770 1 63 ILE HA 1 63 ILE HG13 . . 3.730 2.960 2.699 3.921 0.191 10 0 "[ . 1 . 2]" 1
771 1 63 ILE HA 1 63 ILE MG . . 3.350 2.471 2.274 2.599 . 0 0 "[ . 1 . 2]" 1
772 1 63 ILE HA 1 64 LYS HG3 . . 5.500 5.519 5.247 5.589 0.089 13 0 "[ . 1 . 2]" 1
773 1 63 ILE HA 1 65 LYS H . . 5.270 4.034 3.897 4.196 . 0 0 "[ . 1 . 2]" 1
774 1 63 ILE HA 1 66 GLN H . . 4.610 3.444 3.195 3.554 . 0 0 "[ . 1 . 2]" 1
775 1 63 ILE HA 1 66 GLN QE . . 4.860 2.804 2.079 3.824 . 0 0 "[ . 1 . 2]" 1
776 1 63 ILE HB 1 63 ILE MD . . 3.660 2.365 2.245 3.284 . 0 0 "[ . 1 . 2]" 1
777 1 63 ILE HB 1 64 LYS H . . 3.770 2.761 2.479 3.025 . 0 0 "[ . 1 . 2]" 1
778 1 63 ILE HB 1 64 LYS HA . . 5.500 4.472 4.137 4.937 . 0 0 "[ . 1 . 2]" 1
779 1 63 ILE HB 1 103 ILE MG . . 5.500 3.732 3.379 4.061 . 0 0 "[ . 1 . 2]" 1
780 1 63 ILE HB 1 107 TRP HH2 . . 5.380 3.745 2.919 4.510 . 0 0 "[ . 1 . 2]" 1
781 1 63 ILE HB 1 107 TRP HZ3 . . 5.030 3.448 2.781 4.092 . 0 0 "[ . 1 . 2]" 1
782 1 63 ILE MD 1 63 ILE MG . . 3.250 2.100 2.062 2.171 . 0 0 "[ . 1 . 2]" 1
783 1 63 ILE HG13 1 64 LYS H . . 5.010 4.398 4.013 4.858 . 0 0 "[ . 1 . 2]" 1
784 1 63 ILE MG 1 64 LYS H . . 4.120 3.549 3.295 3.804 . 0 0 "[ . 1 . 2]" 1
785 1 63 ILE MG 1 64 LYS HA . . 4.400 3.676 3.425 3.972 . 0 0 "[ . 1 . 2]" 1
786 1 63 ILE MG 1 66 GLN H . . 5.240 4.293 4.073 4.434 . 0 0 "[ . 1 . 2]" 1
787 1 63 ILE MG 1 66 GLN HB3 . . 5.500 4.809 4.277 5.561 0.061 16 0 "[ . 1 . 2]" 1
788 1 63 ILE MG 1 68 THR H . . 4.380 4.284 4.051 4.448 0.068 13 0 "[ . 1 . 2]" 1
789 1 63 ILE MG 1 68 THR HA . . 5.500 4.587 4.420 4.752 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE MG 1 68 THR HB . . 3.230 2.247 2.103 2.456 . 0 0 "[ . 1 . 2]" 1
791 1 63 ILE MG 1 68 THR MG . . 3.480 2.141 2.087 2.308 . 0 0 "[ . 1 . 2]" 1
792 1 63 ILE MG 1 69 THR H . . 5.500 4.892 4.441 5.457 . 0 0 "[ . 1 . 2]" 1
793 1 63 ILE MG 1 103 ILE MG . . 4.340 3.397 3.033 3.853 . 0 0 "[ . 1 . 2]" 1
794 1 63 ILE MG 1 107 TRP HH2 . . 3.570 2.990 2.112 3.662 0.092 13 0 "[ . 1 . 2]" 1
795 1 64 LYS H 1 64 LYS HB3 . . 3.730 3.627 3.545 3.736 0.006 16 0 "[ . 1 . 2]" 1
796 1 64 LYS H 1 64 LYS HD3 . . 3.970 2.780 2.024 3.591 . 0 0 "[ . 1 . 2]" 1
797 1 64 LYS H 1 64 LYS HG3 . . 3.540 2.551 2.155 2.920 . 0 0 "[ . 1 . 2]" 1
798 1 64 LYS H 1 65 LYS H . . 3.550 2.719 2.474 2.889 . 0 0 "[ . 1 . 2]" 1
799 1 64 LYS H 1 66 GLN H . . 5.040 4.122 3.902 4.267 . 0 0 "[ . 1 . 2]" 1
800 1 64 LYS H 1 66 GLN QE . . 5.500 5.125 4.708 5.266 . 0 0 "[ . 1 . 2]" 1
801 1 64 LYS H 1 68 THR MG . . 5.500 5.185 4.778 5.585 0.085 16 0 "[ . 1 . 2]" 1
802 1 64 LYS H 1 107 TRP HH2 . . 5.500 4.385 3.957 5.080 . 0 0 "[ . 1 . 2]" 1
803 1 64 LYS HA 1 64 LYS HD3 . . 5.320 4.328 3.961 4.664 . 0 0 "[ . 1 . 2]" 1
804 1 64 LYS HA 1 64 LYS HG3 . . 3.620 2.486 2.304 2.811 . 0 0 "[ . 1 . 2]" 1
805 1 64 LYS HA 1 65 LYS HA . . 4.690 4.755 4.728 4.769 0.079 13 0 "[ . 1 . 2]" 1
806 1 64 LYS HA 1 68 THR H . . 3.640 2.748 2.420 3.360 . 0 0 "[ . 1 . 2]" 1
807 1 64 LYS HA 1 68 THR MG . . 5.500 4.128 3.665 4.537 . 0 0 "[ . 1 . 2]" 1
808 1 64 LYS HA 1 107 TRP HH2 . . 4.170 3.816 3.261 4.236 0.066 13 0 "[ . 1 . 2]" 1
809 1 64 LYS HA 1 107 TRP HZ2 . . 4.640 4.152 3.602 4.718 0.078 13 0 "[ . 1 . 2]" 1
810 1 64 LYS HB3 1 64 LYS HD3 . . 4.040 3.513 3.255 3.724 . 0 0 "[ . 1 . 2]" 1
811 1 64 LYS HB3 1 65 LYS H . . 4.170 3.878 3.580 4.237 0.067 9 0 "[ . 1 . 2]" 1
812 1 64 LYS HB3 1 65 LYS HA . . 5.200 4.516 4.268 4.894 . 0 0 "[ . 1 . 2]" 1
813 1 64 LYS HB3 1 66 GLN H . . 5.200 5.260 5.222 5.279 0.079 6 0 "[ . 1 . 2]" 1
814 1 64 LYS HB3 1 68 THR H . . 5.500 4.638 4.199 5.381 . 0 0 "[ . 1 . 2]" 1
815 1 64 LYS HB3 1 107 TRP HH2 . . 5.500 5.195 4.897 5.561 0.061 13 0 "[ . 1 . 2]" 1
816 1 64 LYS HD3 1 65 LYS H . . 5.500 4.570 4.056 5.103 . 0 0 "[ . 1 . 2]" 1
817 1 64 LYS HD3 1 107 TRP HZ2 . . 5.280 5.212 4.836 5.507 0.227 16 0 "[ . 1 . 2]" 1
818 1 64 LYS HG3 1 65 LYS H . . 4.820 4.652 4.523 4.799 . 0 0 "[ . 1 . 2]" 1
819 1 64 LYS HG3 1 107 TRP HH2 . . 3.870 2.752 2.312 3.120 . 0 0 "[ . 1 . 2]" 1
820 1 64 LYS HG3 1 107 TRP HZ2 . . 4.300 3.062 2.706 3.544 . 0 0 "[ . 1 . 2]" 1
821 1 65 LYS H 1 65 LYS HG3 . . 4.140 3.194 2.882 3.738 . 0 0 "[ . 1 . 2]" 1
822 1 65 LYS H 1 66 GLN H . . 3.410 2.588 2.433 2.720 . 0 0 "[ . 1 . 2]" 1
823 1 65 LYS H 1 66 GLN QE . . 5.180 4.245 3.867 4.562 . 0 0 "[ . 1 . 2]" 1
824 1 65 LYS H 1 67 GLY H . . 4.630 4.395 4.195 4.703 0.073 3 0 "[ . 1 . 2]" 1
825 1 65 LYS HA 1 65 LYS HB3 . . 2.870 2.568 2.468 2.668 . 0 0 "[ . 1 . 2]" 1
826 1 65 LYS HA 1 65 LYS HG3 . . 3.530 2.315 2.201 2.441 . 0 0 "[ . 1 . 2]" 1
827 1 65 LYS HA 1 67 GLY H . . 4.080 3.533 3.301 3.806 . 0 0 "[ . 1 . 2]" 1
828 1 65 LYS HA 1 68 THR H . . 5.200 5.129 4.769 5.269 0.069 9 0 "[ . 1 . 2]" 1
829 1 66 GLN H 1 66 GLN HB3 . . 3.360 3.563 3.454 3.606 0.246 6 0 "[ . 1 . 2]" 1
830 1 66 GLN H 1 66 GLN QE . . 4.660 3.661 2.915 3.891 . 0 0 "[ . 1 . 2]" 1
831 1 66 GLN H 1 67 GLY H . . 3.530 2.705 2.479 3.006 . 0 0 "[ . 1 . 2]" 1
832 1 66 GLN H 1 67 GLY HA2 . . 4.880 4.930 4.887 4.962 0.082 20 0 "[ . 1 . 2]" 1
833 1 66 GLN H 1 67 GLY HA3 . . 5.100 5.161 5.101 5.183 0.083 7 0 "[ . 1 . 2]" 1
834 1 66 GLN H 1 68 THR H . . 4.180 3.684 3.218 4.150 . 0 0 "[ . 1 . 2]" 1
835 1 66 GLN HA 1 66 GLN QE . . 5.380 4.378 3.209 4.682 . 0 0 "[ . 1 . 2]" 1
836 1 66 GLN HB3 1 67 GLY H . . 4.580 4.369 4.043 4.570 . 0 0 "[ . 1 . 2]" 1
837 1 66 GLN HB3 1 68 THR H . . 4.980 5.290 4.870 5.524 0.544 13 6 "[** .- 1 *+ .* 2]" 1
838 1 66 GLN HB3 1 68 THR HB . . 5.410 5.819 5.062 6.251 0.841 4 8 "[ * +* *** -. *2]" 1
839 1 67 GLY H 1 68 THR H . . 3.240 2.505 2.200 2.919 . 0 0 "[ . 1 . 2]" 1
840 1 67 GLY H 1 68 THR HA . . 5.350 5.130 4.753 5.431 0.081 20 0 "[ . 1 . 2]" 1
841 1 68 THR H 1 68 THR HB . . 3.400 2.611 2.378 2.799 . 0 0 "[ . 1 . 2]" 1
842 1 68 THR H 1 68 THR MG . . 4.230 3.845 3.730 3.960 . 0 0 "[ . 1 . 2]" 1
843 1 68 THR H 1 69 THR H . . 5.080 4.554 4.365 4.663 . 0 0 "[ . 1 . 2]" 1
844 1 68 THR HA 1 68 THR MG . . 3.300 2.355 2.227 2.588 . 0 0 "[ . 1 . 2]" 1
845 1 68 THR HA 1 69 THR H . . 3.000 2.432 2.278 2.625 . 0 0 "[ . 1 . 2]" 1
846 1 68 THR HA 1 69 THR MG . . 4.120 3.848 3.404 4.171 0.051 8 0 "[ . 1 . 2]" 1
847 1 68 THR HA 1 72 MET ME . . 3.640 2.458 1.992 3.018 . 0 0 "[ . 1 . 2]" 1
848 1 68 THR HB 1 69 THR H . . 4.550 3.691 3.398 4.067 . 0 0 "[ . 1 . 2]" 1
849 1 68 THR HB 1 73 ILE MD . . 5.500 4.190 3.899 4.465 . 0 0 "[ . 1 . 2]" 1
850 1 68 THR HB 1 107 TRP HH2 . . 3.690 3.207 2.499 3.577 . 0 0 "[ . 1 . 2]" 1
851 1 68 THR HB 1 107 TRP HZ2 . . 4.740 4.514 3.627 4.809 0.069 13 0 "[ . 1 . 2]" 1
852 1 68 THR MG 1 69 THR H . . 3.500 2.191 1.959 2.599 . 0 0 "[ . 1 . 2]" 1
853 1 68 THR MG 1 69 THR HA . . 4.840 3.892 3.626 4.114 . 0 0 "[ . 1 . 2]" 1
854 1 68 THR MG 1 69 THR HB . . 5.500 5.122 4.982 5.294 . 0 0 "[ . 1 . 2]" 1
855 1 68 THR MG 1 72 MET H . . 4.990 3.962 3.699 4.282 . 0 0 "[ . 1 . 2]" 1
856 1 68 THR MG 1 72 MET HB3 . . 3.790 2.479 2.144 2.916 . 0 0 "[ . 1 . 2]" 1
857 1 68 THR MG 1 72 MET ME . . 4.710 2.851 2.278 3.432 . 0 0 "[ . 1 . 2]" 1
858 1 68 THR MG 1 73 ILE H . . 4.920 4.004 3.522 4.435 . 0 0 "[ . 1 . 2]" 1
859 1 68 THR MG 1 73 ILE MD . . 3.410 2.244 1.999 2.499 . 0 0 "[ . 1 . 2]" 1
860 1 68 THR MG 1 73 ILE HG13 . . 3.780 3.714 2.509 4.168 0.388 14 0 "[ . 1 . 2]" 1
861 1 68 THR MG 1 107 TRP HH2 . . 3.780 2.694 2.144 3.015 . 0 0 "[ . 1 . 2]" 1
862 1 68 THR MG 1 107 TRP HZ2 . . 4.130 3.984 3.468 4.214 0.084 12 0 "[ . 1 . 2]" 1
863 1 68 THR MG 1 107 TRP HZ3 . . 5.080 4.228 3.765 4.644 . 0 0 "[ . 1 . 2]" 1
864 1 69 THR H 1 69 THR MG . . 3.370 3.205 2.914 3.434 0.064 12 0 "[ . 1 . 2]" 1
865 1 69 THR H 1 70 LEU H . . 5.480 4.378 4.325 4.425 . 0 0 "[ . 1 . 2]" 1
866 1 69 THR H 1 71 GLU H . . 5.360 4.803 4.572 5.057 . 0 0 "[ . 1 . 2]" 1
867 1 69 THR H 1 72 MET H . . 4.380 3.477 3.080 3.864 . 0 0 "[ . 1 . 2]" 1
868 1 69 THR H 1 72 MET HB3 . . 3.830 3.583 3.102 3.914 0.084 18 0 "[ . 1 . 2]" 1
869 1 69 THR H 1 72 MET ME . . 3.500 2.360 1.916 3.115 . 0 0 "[ . 1 . 2]" 1
870 1 69 THR H 1 73 ILE MD . . 5.370 4.585 3.959 4.952 . 0 0 "[ . 1 . 2]" 1
871 1 69 THR H 1 107 TRP HH2 . . 5.500 4.263 3.732 4.635 . 0 0 "[ . 1 . 2]" 1
872 1 69 THR HA 1 69 THR MG . . 3.160 2.270 2.149 2.353 . 0 0 "[ . 1 . 2]" 1
873 1 69 THR HA 1 70 LEU H . . 3.100 2.462 2.365 2.554 . 0 0 "[ . 1 . 2]" 1
874 1 69 THR HA 1 70 LEU HA . . 4.700 4.349 4.231 4.445 . 0 0 "[ . 1 . 2]" 1
875 1 69 THR HA 1 70 LEU HB3 . . 5.140 4.925 4.689 5.166 0.026 3 0 "[ . 1 . 2]" 1
876 1 69 THR HA 1 71 GLU H . . 4.500 4.373 4.117 4.562 0.062 12 0 "[ . 1 . 2]" 1
877 1 69 THR HA 1 72 MET H . . 5.420 4.792 4.555 5.030 . 0 0 "[ . 1 . 2]" 1
878 1 69 THR HA 1 107 TRP HE1 . . 4.710 3.969 3.437 4.384 . 0 0 "[ . 1 . 2]" 1
879 1 69 THR HA 1 107 TRP HH2 . . 4.360 3.921 3.483 4.175 . 0 0 "[ . 1 . 2]" 1
880 1 69 THR HA 1 107 TRP HZ2 . . 3.160 2.233 2.076 2.524 . 0 0 "[ . 1 . 2]" 1
881 1 69 THR HB 1 70 LEU H . . 3.400 2.371 2.223 2.545 . 0 0 "[ . 1 . 2]" 1
882 1 69 THR HB 1 70 LEU HA . . 4.760 4.739 4.651 4.812 0.052 13 0 "[ . 1 . 2]" 1
883 1 69 THR HB 1 70 LEU HB3 . . 5.160 4.048 3.813 4.279 . 0 0 "[ . 1 . 2]" 1
884 1 69 THR HB 1 71 GLU H . . 3.580 2.737 2.388 2.917 . 0 0 "[ . 1 . 2]" 1
885 1 69 THR HB 1 71 GLU HB3 . . 3.990 4.768 3.683 5.489 1.499 9 15 "[- * .** +********* *]" 1
886 1 69 THR HB 1 72 MET H . . 4.420 3.994 3.458 4.270 . 0 0 "[ . 1 . 2]" 1
887 1 69 THR HB 1 107 TRP HE1 . . 5.480 4.906 4.421 5.190 . 0 0 "[ . 1 . 2]" 1
888 1 69 THR HB 1 107 TRP HZ2 . . 4.300 4.361 4.240 4.387 0.087 11 0 "[ . 1 . 2]" 1
889 1 69 THR MG 1 70 LEU H . . 3.830 3.498 3.079 3.669 . 0 0 "[ . 1 . 2]" 1
890 1 69 THR MG 1 70 LEU HB3 . . 5.500 5.226 4.964 5.466 . 0 0 "[ . 1 . 2]" 1
891 1 69 THR MG 1 71 GLU H . . 4.340 4.337 4.032 4.450 0.110 15 0 "[ . 1 . 2]" 1
892 1 69 THR MG 1 72 MET H . . 5.180 4.874 4.196 5.164 . 0 0 "[ . 1 . 2]" 1
893 1 69 THR MG 1 72 MET ME . . 3.370 3.349 2.883 3.502 0.132 6 0 "[ . 1 . 2]" 1
894 1 69 THR MG 1 107 TRP HE1 . . 5.500 4.817 4.388 5.376 . 0 0 "[ . 1 . 2]" 1
895 1 69 THR MG 1 107 TRP HH2 . . 5.500 5.459 5.131 5.590 0.090 9 0 "[ . 1 . 2]" 1
896 1 69 THR MG 1 107 TRP HZ2 . . 4.350 4.042 3.743 4.401 0.051 4 0 "[ . 1 . 2]" 1
897 1 70 LEU H 1 70 LEU HB3 . . 3.370 2.473 2.289 2.705 . 0 0 "[ . 1 . 2]" 1
898 1 70 LEU H 1 70 LEU QD . . 4.250 3.699 3.618 3.789 . 0 0 "[ . 1 . 2]" 1
899 1 70 LEU H 1 70 LEU HG . . 4.660 4.373 4.109 4.514 . 0 0 "[ . 1 . 2]" 1
900 1 70 LEU H 1 71 GLU H . . 3.670 2.677 2.524 2.831 . 0 0 "[ . 1 . 2]" 1
901 1 70 LEU H 1 71 GLU HA . . 5.500 5.256 4.949 5.463 . 0 0 "[ . 1 . 2]" 1
902 1 70 LEU H 1 71 GLU HB3 . . 5.500 5.788 4.402 6.271 0.771 6 9 "[ .+ ** -* *** *]" 1
903 1 70 LEU H 1 107 TRP HD1 . . 5.000 4.858 4.333 5.069 0.069 19 0 "[ . 1 . 2]" 1
904 1 70 LEU H 1 107 TRP HE1 . . 4.060 2.922 2.428 3.128 . 0 0 "[ . 1 . 2]" 1
905 1 70 LEU H 1 107 TRP HH2 . . 5.330 4.736 4.319 5.117 . 0 0 "[ . 1 . 2]" 1
906 1 70 LEU H 1 107 TRP HZ2 . . 3.610 2.893 2.673 3.278 . 0 0 "[ . 1 . 2]" 1
907 1 70 LEU HA 1 70 LEU QD . . 3.070 2.148 1.985 2.288 . 0 0 "[ . 1 . 2]" 1
908 1 70 LEU HA 1 70 LEU HG . . 3.690 3.266 3.015 3.402 . 0 0 "[ . 1 . 2]" 1
909 1 70 LEU HA 1 73 ILE H . . 3.770 3.464 3.187 3.816 0.046 4 0 "[ . 1 . 2]" 1
910 1 70 LEU HA 1 73 ILE HB . . 3.470 3.071 2.130 3.532 0.062 10 0 "[ . 1 . 2]" 1
911 1 70 LEU HA 1 73 ILE MD . . 4.930 4.594 4.262 5.008 0.078 11 0 "[ . 1 . 2]" 1
912 1 70 LEU HA 1 73 ILE HG13 . . 4.210 3.669 3.297 4.132 . 0 0 "[ . 1 . 2]" 1
913 1 70 LEU HA 1 73 ILE MG . . 4.600 4.281 3.190 4.632 0.032 15 0 "[ . 1 . 2]" 1
914 1 70 LEU HA 1 74 THR MG . . 4.850 4.468 4.030 4.935 0.085 3 0 "[ . 1 . 2]" 1
915 1 70 LEU HA 1 107 TRP HE1 . . 5.110 4.037 3.500 4.523 . 0 0 "[ . 1 . 2]" 1
916 1 70 LEU HA 1 107 TRP HH2 . . 4.970 4.030 3.557 4.356 . 0 0 "[ . 1 . 2]" 1
917 1 70 LEU HA 1 107 TRP HZ2 . . 4.600 3.584 3.204 3.990 . 0 0 "[ . 1 . 2]" 1
918 1 70 LEU HB3 1 71 GLU H . . 3.920 2.584 2.034 2.936 . 0 0 "[ . 1 . 2]" 1
919 1 70 LEU HB3 1 107 TRP HD1 . . 5.270 4.399 4.021 4.682 . 0 0 "[ . 1 . 2]" 1
920 1 70 LEU HB3 1 107 TRP HE1 . . 3.750 3.762 3.460 4.050 0.300 9 0 "[ . 1 . 2]" 1
921 1 70 LEU HB3 1 107 TRP HZ2 . . 5.230 4.944 4.560 5.279 0.049 18 0 "[ . 1 . 2]" 1
922 1 70 LEU QD 1 71 GLU H . . 4.820 3.810 3.175 4.164 . 0 0 "[ . 1 . 2]" 1
923 1 70 LEU QD 1 71 GLU HA . . 5.170 3.988 2.771 4.638 . 0 0 "[ . 1 . 2]" 1
924 1 70 LEU QD 1 72 MET H . . 5.500 4.730 4.334 5.247 . 0 0 "[ . 1 . 2]" 1
925 1 70 LEU QD 1 73 ILE H . . 4.680 3.899 3.536 4.404 . 0 0 "[ . 1 . 2]" 1
926 1 70 LEU QD 1 73 ILE HB . . 3.560 2.632 2.142 3.078 . 0 0 "[ . 1 . 2]" 1
927 1 70 LEU QD 1 73 ILE MD . . 5.060 4.676 4.282 5.049 . 0 0 "[ . 1 . 2]" 1
928 1 70 LEU QD 1 73 ILE HG13 . . 5.320 3.849 3.245 4.633 . 0 0 "[ . 1 . 2]" 1
929 1 70 LEU QD 1 73 ILE MG . . 4.210 3.265 2.487 3.697 . 0 0 "[ . 1 . 2]" 1
930 1 70 LEU QD 1 74 THR H . . 4.860 3.590 2.949 4.786 . 0 0 "[ . 1 . 2]" 1
931 1 70 LEU QD 1 74 THR MG . . 3.610 2.485 2.037 3.515 . 0 0 "[ . 1 . 2]" 1
932 1 70 LEU QD 1 104 ALA H . . 4.810 4.278 3.918 4.588 . 0 0 "[ . 1 . 2]" 1
933 1 70 LEU QD 1 104 ALA HA . . 3.250 2.432 2.073 2.730 . 0 0 "[ . 1 . 2]" 1
934 1 70 LEU QD 1 104 ALA MB . . 3.360 2.164 2.004 2.457 . 0 0 "[ . 1 . 2]" 1
935 1 70 LEU QD 1 105 ASP H . . 5.500 4.941 4.443 5.262 . 0 0 "[ . 1 . 2]" 1
936 1 70 LEU QD 1 107 TRP H . . 4.890 4.351 3.833 4.805 . 0 0 "[ . 1 . 2]" 1
937 1 70 LEU QD 1 107 TRP HA . . 5.330 4.520 4.121 5.078 . 0 0 "[ . 1 . 2]" 1
938 1 70 LEU QD 1 107 TRP HB3 . . 3.730 2.938 2.410 3.655 . 0 0 "[ . 1 . 2]" 1
939 1 70 LEU QD 1 107 TRP HD1 . . 3.510 2.811 2.424 3.338 . 0 0 "[ . 1 . 2]" 1
940 1 70 LEU QD 1 107 TRP HE1 . . 4.620 3.604 3.279 3.820 . 0 0 "[ . 1 . 2]" 1
941 1 70 LEU QD 1 107 TRP HE3 . . 4.430 3.458 2.756 3.998 . 0 0 "[ . 1 . 2]" 1
942 1 70 LEU QD 1 107 TRP HH2 . . 5.500 4.888 4.482 5.127 . 0 0 "[ . 1 . 2]" 1
943 1 70 LEU QD 1 107 TRP HZ2 . . 4.710 4.491 4.298 4.636 . 0 0 "[ . 1 . 2]" 1
944 1 70 LEU HG 1 71 GLU H . . 4.540 4.136 3.640 4.624 0.084 3 0 "[ . 1 . 2]" 1
945 1 70 LEU HG 1 71 GLU HA . . 5.170 4.428 3.714 5.279 0.109 3 0 "[ . 1 . 2]" 1
946 1 71 GLU H 1 71 GLU HB3 . . 3.320 3.278 2.047 3.500 0.180 6 0 "[ . 1 . 2]" 1
947 1 71 GLU H 1 71 GLU HG3 . . 4.190 3.054 1.990 3.978 . 0 0 "[ . 1 . 2]" 1
948 1 71 GLU H 1 72 MET H . . 3.640 2.787 2.603 2.895 . 0 0 "[ . 1 . 2]" 1
949 1 71 GLU H 1 73 ILE H . . 5.480 4.286 3.948 4.538 . 0 0 "[ . 1 . 2]" 1
950 1 71 GLU H 1 107 TRP HE1 . . 5.500 5.363 4.804 5.579 0.079 10 0 "[ . 1 . 2]" 1
951 1 71 GLU HA 1 71 GLU HG3 . . 3.520 3.221 2.446 3.685 0.165 7 0 "[ . 1 . 2]" 1
952 1 71 GLU HA 1 74 THR HB . . 4.440 4.480 4.377 4.528 0.088 11 0 "[ . 1 . 2]" 1
953 1 71 GLU HA 1 74 THR MG . . 4.300 3.669 2.139 4.111 . 0 0 "[ . 1 . 2]" 1
954 1 71 GLU HB3 1 72 MET H . . 3.740 3.451 2.769 4.099 0.359 6 0 "[ . 1 . 2]" 1
955 1 71 GLU HG3 1 72 MET H . . 4.910 4.791 3.064 5.173 0.263 5 0 "[ . 1 . 2]" 1
956 1 72 MET H 1 72 MET HB3 . . 3.440 3.168 2.899 3.461 0.021 20 0 "[ . 1 . 2]" 1
957 1 72 MET H 1 72 MET ME . . 4.750 3.523 3.151 3.959 . 0 0 "[ . 1 . 2]" 1
958 1 72 MET H 1 73 ILE MD . . 5.500 4.522 4.082 5.215 . 0 0 "[ . 1 . 2]" 1
959 1 72 MET H 1 74 THR H . . 5.490 4.118 3.869 4.516 . 0 0 "[ . 1 . 2]" 1
960 1 72 MET HA 1 72 MET ME . . 5.060 3.895 3.407 4.502 . 0 0 "[ . 1 . 2]" 1
961 1 72 MET HA 1 75 ALA H . . 4.240 3.748 3.336 4.113 . 0 0 "[ . 1 . 2]" 1
962 1 72 MET HA 1 76 TRP HE1 . . 5.500 4.753 4.327 5.436 . 0 0 "[ . 1 . 2]" 1
963 1 72 MET HB3 1 72 MET ME . . 3.390 3.423 3.229 3.480 0.090 17 0 "[ . 1 . 2]" 1
964 1 72 MET HB3 1 73 ILE H . . 3.960 3.050 2.566 3.853 . 0 0 "[ . 1 . 2]" 1
965 1 72 MET HB3 1 73 ILE MD . . 5.140 2.711 2.177 3.226 . 0 0 "[ . 1 . 2]" 1
966 1 72 MET HB3 1 73 ILE HG13 . . 5.480 4.887 4.345 5.627 0.147 18 0 "[ . 1 . 2]" 1
967 1 72 MET HB3 1 74 THR H . . 5.500 5.251 4.686 5.574 0.074 18 0 "[ . 1 . 2]" 1
968 1 72 MET HB3 1 76 TRP HD1 . . 4.280 4.006 3.276 4.355 0.075 2 0 "[ . 1 . 2]" 1
969 1 72 MET HB3 1 76 TRP HE1 . . 5.500 5.374 4.629 5.575 0.075 14 0 "[ . 1 . 2]" 1
970 1 73 ILE H 1 73 ILE HB . . 3.460 2.440 2.263 2.609 . 0 0 "[ . 1 . 2]" 1
971 1 73 ILE H 1 73 ILE MD . . 3.860 3.084 2.674 3.486 . 0 0 "[ . 1 . 2]" 1
972 1 73 ILE H 1 73 ILE HG13 . . 3.710 3.677 3.502 3.969 0.259 20 0 "[ . 1 . 2]" 1
973 1 73 ILE H 1 73 ILE MG . . 4.110 3.760 3.694 3.905 . 0 0 "[ . 1 . 2]" 1
974 1 73 ILE H 1 74 THR H . . 3.760 2.540 2.088 3.101 . 0 0 "[ . 1 . 2]" 1
975 1 73 ILE H 1 74 THR MG . . 4.760 4.314 3.367 4.836 0.076 11 0 "[ . 1 . 2]" 1
976 1 73 ILE H 1 75 ALA H . . 4.950 4.060 3.597 4.390 . 0 0 "[ . 1 . 2]" 1
977 1 73 ILE H 1 107 TRP HH2 . . 5.500 5.321 4.707 5.572 0.072 18 0 "[ . 1 . 2]" 1
978 1 73 ILE HA 1 73 ILE MD . . 3.220 2.157 2.083 2.286 . 0 0 "[ . 1 . 2]" 1
979 1 73 ILE HA 1 73 ILE MG . . 3.240 2.503 2.405 2.622 . 0 0 "[ . 1 . 2]" 1
980 1 73 ILE HA 1 74 THR H . . 3.540 3.513 2.866 3.611 0.071 4 0 "[ . 1 . 2]" 1
981 1 73 ILE HA 1 76 TRP H . . 4.420 3.717 3.338 4.057 . 0 0 "[ . 1 . 2]" 1
982 1 73 ILE HA 1 76 TRP HD1 . . 4.200 4.034 3.277 4.295 0.095 3 0 "[ . 1 . 2]" 1
983 1 73 ILE HA 1 77 GLN HB3 . . 5.500 5.376 5.005 5.580 0.080 12 0 "[ . 1 . 2]" 1
984 1 73 ILE HA 1 100 MET ME . . 3.390 2.962 2.174 3.484 0.094 6 0 "[ . 1 . 2]" 1
985 1 73 ILE HB 1 74 THR H . . 4.200 2.832 2.446 4.236 0.036 11 0 "[ . 1 . 2]" 1
986 1 73 ILE HB 1 74 THR MG . . 4.440 3.582 3.120 4.461 0.021 11 0 "[ . 1 . 2]" 1
987 1 73 ILE HB 1 107 TRP HZ3 . . 5.290 4.635 3.522 5.034 . 0 0 "[ . 1 . 2]" 1
988 1 73 ILE MD 1 73 ILE MG . . 3.480 2.237 2.131 2.469 . 0 0 "[ . 1 . 2]" 1
989 1 73 ILE MD 1 74 THR H . . 5.500 4.604 4.485 4.842 . 0 0 "[ . 1 . 2]" 1
990 1 73 ILE MD 1 75 ALA H . . 5.500 5.582 5.490 5.602 0.102 5 0 "[ . 1 . 2]" 1
991 1 73 ILE MD 1 76 TRP H . . 5.500 5.040 4.791 5.340 . 0 0 "[ . 1 . 2]" 1
992 1 73 ILE MD 1 100 MET HA . . 4.660 4.105 3.860 4.477 . 0 0 "[ . 1 . 2]" 1
993 1 73 ILE MD 1 100 MET ME . . 3.390 2.428 1.989 2.965 . 0 0 "[ . 1 . 2]" 1
994 1 73 ILE MD 1 103 ILE MG . . 4.010 2.729 2.462 3.278 . 0 0 "[ . 1 . 2]" 1
995 1 73 ILE MD 1 104 ALA MB . . 5.500 5.028 4.549 5.356 . 0 0 "[ . 1 . 2]" 1
996 1 73 ILE HG13 1 74 THR H . . 5.190 5.138 4.865 5.940 0.750 11 2 "[- . 1+ . 2]" 1
997 1 73 ILE HG13 1 107 TRP HH2 . . 4.550 3.322 2.492 3.804 . 0 0 "[ . 1 . 2]" 1
998 1 73 ILE HG13 1 107 TRP HZ3 . . 4.970 2.482 2.074 2.799 . 0 0 "[ . 1 . 2]" 1
999 1 73 ILE MG 1 74 THR H . . 4.330 3.666 3.405 4.360 0.030 1 0 "[ . 1 . 2]" 1
1000 1 73 ILE MG 1 74 THR HA . . 4.900 3.809 3.414 4.312 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ILE MG 1 75 ALA H . . 5.500 5.274 5.073 5.609 0.109 1 0 "[ . 1 . 2]" 1
1002 1 73 ILE MG 1 77 GLN H . . 5.390 4.468 3.894 5.254 . 0 0 "[ . 1 . 2]" 1
1003 1 73 ILE MG 1 77 GLN QE . . 5.500 5.086 4.174 5.375 . 0 0 "[ . 1 . 2]" 1
1004 1 73 ILE MG 1 100 MET HA . . 3.990 2.637 2.365 4.001 0.011 11 0 "[ . 1 . 2]" 1
1005 1 73 ILE MG 1 100 MET HG3 . . 5.460 3.955 3.514 5.534 0.074 11 0 "[ . 1 . 2]" 1
1006 1 73 ILE MG 1 103 ILE HA . . 4.730 4.499 4.141 4.739 0.009 9 0 "[ . 1 . 2]" 1
1007 1 73 ILE MG 1 103 ILE MG . . 3.770 2.225 2.060 2.496 . 0 0 "[ . 1 . 2]" 1
1008 1 73 ILE MG 1 104 ALA H . . 3.660 2.722 2.434 2.976 . 0 0 "[ . 1 . 2]" 1
1009 1 73 ILE MG 1 104 ALA MB . . 3.550 2.390 2.125 2.823 . 0 0 "[ . 1 . 2]" 1
1010 1 73 ILE MG 1 105 ASP H . . 5.090 4.892 4.524 5.173 0.083 1 0 "[ . 1 . 2]" 1
1011 1 73 ILE MG 1 107 TRP HZ3 . . 3.840 3.716 2.299 3.934 0.094 6 0 "[ . 1 . 2]" 1
1012 1 74 THR H 1 74 THR HB . . 3.690 3.470 2.474 3.753 0.063 11 0 "[ . 1 . 2]" 1
1013 1 74 THR H 1 74 THR MG . . 3.730 2.551 1.845 3.645 . 0 0 "[ . 1 . 2]" 1
1014 1 74 THR H 1 75 ALA H . . 3.420 2.653 1.627 2.888 . 0 0 "[ . 1 . 2]" 1
1015 1 74 THR H 1 75 ALA MB . . 4.860 4.405 3.512 4.603 . 0 0 "[ . 1 . 2]" 1
1016 1 74 THR HA 1 74 THR MG . . 3.510 2.298 2.154 3.279 . 0 0 "[ . 1 . 2]" 1
1017 1 74 THR HA 1 77 GLN HB3 . . 3.630 2.884 2.328 3.717 0.087 11 0 "[ . 1 . 2]" 1
1018 1 74 THR HA 1 78 ASP H . . 4.550 3.940 3.780 4.169 . 0 0 "[ . 1 . 2]" 1
1019 1 74 THR HA 1 78 ASP HB3 . . 4.620 6.158 5.604 6.443 1.823 17 20 [****-***********+***] 1
1020 1 74 THR HA 1 104 ALA MB . . 4.940 4.069 3.440 4.758 . 0 0 "[ . 1 . 2]" 1
1021 1 74 THR HB 1 75 ALA H . . 3.760 3.606 3.300 3.858 0.098 10 0 "[ . 1 . 2]" 1
1022 1 74 THR MG 1 75 ALA H . . 4.260 4.094 2.178 4.332 0.072 1 0 "[ . 1 . 2]" 1
1023 1 74 THR MG 1 77 GLN H . . 5.500 5.184 4.969 5.440 . 0 0 "[ . 1 . 2]" 1
1024 1 74 THR MG 1 77 GLN HB3 . . 5.290 4.452 3.884 5.078 . 0 0 "[ . 1 . 2]" 1
1025 1 74 THR MG 1 78 ASP H . . 5.500 5.300 5.055 5.577 0.077 15 0 "[ . 1 . 2]" 1
1026 1 74 THR MG 1 104 ALA MB . . 3.830 2.915 2.157 3.977 0.147 10 0 "[ . 1 . 2]" 1
1027 1 75 ALA H 1 75 ALA MB . . 3.080 2.278 2.234 2.396 . 0 0 "[ . 1 . 2]" 1
1028 1 75 ALA H 1 76 TRP H . . 3.510 2.712 2.374 3.003 . 0 0 "[ . 1 . 2]" 1
1029 1 75 ALA H 1 77 GLN H . . 4.920 4.047 3.621 4.393 . 0 0 "[ . 1 . 2]" 1
1030 1 75 ALA MB 1 76 TRP H . . 3.710 2.663 2.387 3.181 . 0 0 "[ . 1 . 2]" 1
1031 1 75 ALA MB 1 76 TRP HA . . 4.730 3.946 3.797 4.167 . 0 0 "[ . 1 . 2]" 1
1032 1 75 ALA MB 1 76 TRP HB3 . . 5.500 5.310 5.163 5.463 . 0 0 "[ . 1 . 2]" 1
1033 1 75 ALA MB 1 76 TRP HD1 . . 3.900 3.549 3.119 3.993 0.093 14 0 "[ . 1 . 2]" 1
1034 1 75 ALA MB 1 76 TRP HE1 . . 5.040 4.385 3.846 4.835 . 0 0 "[ . 1 . 2]" 1
1035 1 75 ALA MB 1 77 GLN H . . 5.460 4.502 4.178 4.923 . 0 0 "[ . 1 . 2]" 1
1036 1 75 ALA MB 1 78 ASP H . . 5.500 4.948 4.703 5.357 . 0 0 "[ . 1 . 2]" 1
1037 1 75 ALA MB 1 78 ASP HB3 . . 5.000 5.086 4.286 6.169 1.169 2 4 "[ + . - 1* * . 2]" 1
1038 1 75 ALA MB 1 79 PHE H . . 5.500 4.728 4.353 5.207 . 0 0 "[ . 1 . 2]" 1
1039 1 76 TRP H 1 76 TRP HB3 . . 3.810 3.587 3.421 3.758 . 0 0 "[ . 1 . 2]" 1
1040 1 76 TRP H 1 76 TRP HD1 . . 3.940 2.987 2.618 3.509 . 0 0 "[ . 1 . 2]" 1
1041 1 76 TRP H 1 76 TRP HE1 . . 5.500 5.061 4.728 5.552 0.052 15 0 "[ . 1 . 2]" 1
1042 1 76 TRP H 1 76 TRP HE3 . . 5.500 5.305 5.114 5.559 0.059 2 0 "[ . 1 . 2]" 1
1043 1 76 TRP H 1 77 GLN H . . 3.580 2.584 2.243 2.718 . 0 0 "[ . 1 . 2]" 1
1044 1 76 TRP H 1 77 GLN HB3 . . 5.080 4.709 4.250 4.854 . 0 0 "[ . 1 . 2]" 1
1045 1 76 TRP H 1 78 ASP H . . 4.450 4.432 4.050 4.528 0.078 3 0 "[ . 1 . 2]" 1
1046 1 76 TRP H 1 79 PHE H . . 4.840 4.840 4.630 4.921 0.081 10 0 "[ . 1 . 2]" 1
1047 1 76 TRP H 1 100 MET ME . . 4.710 4.511 3.905 4.803 0.093 18 0 "[ . 1 . 2]" 1
1048 1 76 TRP H 1 100 MET HG3 . . 5.320 4.856 4.425 5.393 0.073 1 0 "[ . 1 . 2]" 1
1049 1 76 TRP HA 1 76 TRP HE3 . . 3.810 2.854 2.439 3.223 . 0 0 "[ . 1 . 2]" 1
1050 1 76 TRP HA 1 79 PHE HB3 . . 3.950 2.615 2.121 3.123 . 0 0 "[ . 1 . 2]" 1
1051 1 76 TRP HA 1 79 PHE QD . . 4.560 4.086 3.437 4.532 . 0 0 "[ . 1 . 2]" 1
1052 1 76 TRP HA 1 100 MET ME . . 5.500 4.984 4.364 5.583 0.083 10 0 "[ . 1 . 2]" 1
1053 1 76 TRP HB3 1 76 TRP HE3 . . 3.800 2.744 2.389 2.970 . 0 0 "[ . 1 . 2]" 1
1054 1 76 TRP HB3 1 77 GLN H . . 4.600 3.863 3.513 4.555 . 0 0 "[ . 1 . 2]" 1
1055 1 76 TRP HB3 1 100 MET ME . . 3.900 2.946 2.200 3.980 0.080 8 0 "[ . 1 . 2]" 1
1056 1 76 TRP HB3 1 100 MET HG3 . . 4.620 3.202 2.334 4.431 . 0 0 "[ . 1 . 2]" 1
1057 1 76 TRP HD1 1 77 GLN H . . 5.500 5.195 4.763 5.571 0.071 11 0 "[ . 1 . 2]" 1
1058 1 76 TRP HD1 1 100 MET ME . . 4.230 3.992 3.301 4.321 0.091 12 0 "[ . 1 . 2]" 1
1059 1 76 TRP HE3 1 79 PHE HB3 . . 5.100 3.651 2.867 4.011 . 0 0 "[ . 1 . 2]" 1
1060 1 76 TRP HE3 1 79 PHE QD . . 4.010 3.366 2.422 4.080 0.070 7 0 "[ . 1 . 2]" 1
1061 1 76 TRP HE3 1 79 PHE QE . . 5.160 4.701 3.625 5.243 0.083 2 0 "[ . 1 . 2]" 1
1062 1 76 TRP HE3 1 80 TYR H . . 5.330 5.095 4.564 5.389 0.059 3 0 "[ . 1 . 2]" 1
1063 1 76 TRP HE3 1 80 TYR QD . . 4.770 3.985 3.564 4.621 . 0 0 "[ . 1 . 2]" 1
1064 1 76 TRP HE3 1 80 TYR QE . . 3.560 2.651 2.202 3.407 . 0 0 "[ . 1 . 2]" 1
1065 1 76 TRP HZ3 1 79 PHE QE . . 5.140 3.790 2.506 4.955 . 0 0 "[ . 1 . 2]" 1
1066 1 76 TRP HZ3 1 80 TYR QE . . 3.960 3.797 3.149 4.054 0.094 7 0 "[ . 1 . 2]" 1
1067 1 77 GLN H 1 77 GLN HB3 . . 3.620 2.401 2.258 2.554 . 0 0 "[ . 1 . 2]" 1
1068 1 77 GLN H 1 77 GLN HG3 . . 4.660 4.148 2.546 4.660 . 5 0 "[ . 1 . 2]" 1
1069 1 77 GLN H 1 78 ASP H . . 3.660 2.651 2.284 2.921 . 0 0 "[ . 1 . 2]" 1
1070 1 77 GLN H 1 78 ASP HB3 . . 4.770 5.409 4.269 6.130 1.360 2 13 "[*+ -.*** ** *** * *2]" 1
1071 1 77 GLN H 1 79 PHE H . . 4.710 4.027 3.643 4.274 . 0 0 "[ . 1 . 2]" 1
1072 1 77 GLN H 1 97 ALA HA . . 5.500 5.066 4.771 5.373 . 0 0 "[ . 1 . 2]" 1
1073 1 77 GLN H 1 100 MET HG3 . . 5.170 3.645 3.230 4.160 . 0 0 "[ . 1 . 2]" 1
1074 1 77 GLN HA 1 77 GLN HG3 . . 3.840 2.966 2.367 3.879 0.039 11 0 "[ . 1 . 2]" 1
1075 1 77 GLN HA 1 80 TYR HB3 . . 5.040 5.248 4.921 5.676 0.636 20 3 "[ - . 1 * . +]" 1
1076 1 77 GLN HA 1 80 TYR QD . . 5.200 3.462 3.047 4.054 . 0 0 "[ . 1 . 2]" 1
1077 1 77 GLN HA 1 97 ALA HA . . 3.180 2.285 2.027 2.530 . 0 0 "[ . 1 . 2]" 1
1078 1 77 GLN HA 1 97 ALA MB . . 4.860 3.266 2.564 3.754 . 0 0 "[ . 1 . 2]" 1
1079 1 77 GLN HA 1 100 MET HG3 . . 4.290 3.119 2.307 3.709 . 0 0 "[ . 1 . 2]" 1
1080 1 77 GLN HB3 1 78 ASP H . . 3.610 2.574 2.129 3.671 0.061 13 0 "[ . 1 . 2]" 1
1081 1 77 GLN HB3 1 79 PHE H . . 5.500 5.006 4.684 5.589 0.089 20 0 "[ . 1 . 2]" 1
1082 1 77 GLN QE 1 78 ASP H . . 5.500 4.896 4.112 5.257 . 0 0 "[ . 1 . 2]" 1
1083 1 77 GLN QE 1 81 GLU HG3 . . 5.500 4.092 3.550 4.981 . 0 0 "[ . 1 . 2]" 1
1084 1 77 GLN QE 1 101 LYS H . . 5.500 3.597 2.175 4.013 . 0 0 "[ . 1 . 2]" 1
1085 1 77 GLN QE 1 101 LYS HA . . 4.910 2.417 1.900 3.169 . 0 0 "[ . 1 . 2]" 1
1086 1 77 GLN QE 1 101 LYS HB3 . . 5.160 3.734 3.277 4.191 . 0 0 "[ . 1 . 2]" 1
1087 1 77 GLN QE 1 101 LYS HD3 . . 4.870 2.999 1.996 4.081 . 0 0 "[ . 1 . 2]" 1
1088 1 77 GLN QE 1 102 LYS H . . 5.500 5.135 4.186 5.373 . 0 0 "[ . 1 . 2]" 1
1089 1 77 GLN HG3 1 78 ASP H . . 4.690 3.790 1.722 4.701 0.011 18 0 "[ . 1 . 2]" 1
1090 1 77 GLN HG3 1 101 LYS H . . 4.630 3.746 2.407 5.841 1.211 9 2 "[ . +1 . -]" 1
1091 1 78 ASP H 1 78 ASP HB3 . . 3.260 3.056 2.580 3.339 0.079 2 0 "[ . 1 . 2]" 1
1092 1 78 ASP H 1 79 PHE H . . 3.810 2.757 2.584 2.987 . 0 0 "[ . 1 . 2]" 1
1093 1 78 ASP HA 1 81 GLU H . . 3.890 3.160 2.780 3.583 . 0 0 "[ . 1 . 2]" 1
1094 1 78 ASP HA 1 81 GLU HB3 . . 3.720 3.766 3.370 3.809 0.089 7 0 "[ . 1 . 2]" 1
1095 1 78 ASP HA 1 81 GLU HG3 . . 5.500 3.227 2.839 4.018 . 0 0 "[ . 1 . 2]" 1
1096 1 78 ASP HB3 1 79 PHE H . . 3.700 2.913 2.448 3.363 . 0 0 "[ . 1 . 2]" 1
1097 1 79 PHE H 1 79 PHE HB3 . . 3.420 2.476 2.320 2.571 . 0 0 "[ . 1 . 2]" 1
1098 1 79 PHE H 1 79 PHE QD . . 4.570 4.207 4.072 4.286 . 0 0 "[ . 1 . 2]" 1
1099 1 79 PHE H 1 80 TYR H . . 3.660 2.875 2.708 3.008 . 0 0 "[ . 1 . 2]" 1
1100 1 79 PHE H 1 80 TYR QD . . 5.500 5.213 4.759 5.581 0.081 12 0 "[ . 1 . 2]" 1
1101 1 79 PHE HA 1 79 PHE QD . . 3.790 2.815 2.218 3.156 . 0 0 "[ . 1 . 2]" 1
1102 1 79 PHE HA 1 79 PHE QE . . 4.880 4.673 4.408 4.824 . 0 0 "[ . 1 . 2]" 1
1103 1 79 PHE HA 1 80 TYR HA . . 4.820 4.689 4.656 4.723 . 0 0 "[ . 1 . 2]" 1
1104 1 79 PHE HA 1 81 GLU H . . 5.220 4.610 4.336 4.983 . 0 0 "[ . 1 . 2]" 1
1105 1 79 PHE HB3 1 80 TYR H . . 4.300 2.608 2.325 2.958 . 0 0 "[ . 1 . 2]" 1
1106 1 79 PHE QD 1 80 TYR H . . 4.530 3.318 2.951 4.001 . 0 0 "[ . 1 . 2]" 1
1107 1 79 PHE QD 1 80 TYR HA . . 4.390 3.500 2.842 4.393 0.003 5 0 "[ . 1 . 2]" 1
1108 1 79 PHE QD 1 80 TYR QD . . 4.560 3.240 2.641 4.096 . 0 0 "[ . 1 . 2]" 1
1109 1 79 PHE QD 1 80 TYR QE . . 5.020 3.371 3.116 3.787 . 0 0 "[ . 1 . 2]" 1
1110 1 79 PHE QE 1 80 TYR H . . 5.500 5.398 5.120 5.584 0.084 4 0 "[ . 1 . 2]" 1
1111 1 79 PHE QE 1 80 TYR HA . . 4.990 4.520 3.888 5.079 0.089 19 0 "[ . 1 . 2]" 1
1112 1 79 PHE QE 1 83 GLU HG3 . . 5.300 4.776 3.576 5.374 0.074 18 0 "[ . 1 . 2]" 1
1113 1 80 TYR H 1 80 TYR HB3 . . 3.360 3.602 3.568 3.674 0.314 11 0 "[ . 1 . 2]" 1
1114 1 80 TYR H 1 80 TYR QD . . 4.140 3.195 2.694 3.483 . 0 0 "[ . 1 . 2]" 1
1115 1 80 TYR H 1 80 TYR QE . . 5.220 4.799 4.532 5.045 . 0 0 "[ . 1 . 2]" 1
1116 1 80 TYR H 1 81 GLU H . . 3.430 2.514 2.261 2.691 . 0 0 "[ . 1 . 2]" 1
1117 1 80 TYR H 1 97 ALA MB . . 4.120 3.746 3.361 4.038 . 0 0 "[ . 1 . 2]" 1
1118 1 80 TYR HA 1 80 TYR QD . . 3.260 2.297 2.077 2.719 . 0 0 "[ . 1 . 2]" 1
1119 1 80 TYR HA 1 80 TYR QE . . 4.560 4.370 4.197 4.542 . 0 0 "[ . 1 . 2]" 1
1120 1 80 TYR HA 1 81 GLU HA . . 5.240 4.857 4.719 4.982 . 0 0 "[ . 1 . 2]" 1
1121 1 80 TYR HA 1 82 GLN H . . 4.690 4.174 3.999 4.481 . 0 0 "[ . 1 . 2]" 1
1122 1 80 TYR HA 1 83 GLU HG3 . . 4.460 2.768 2.286 3.470 . 0 0 "[ . 1 . 2]" 1
1123 1 80 TYR HA 1 93 ALA HA . . 5.330 4.364 3.925 4.982 . 0 0 "[ . 1 . 2]" 1
1124 1 80 TYR HA 1 93 ALA MB . . 4.230 2.832 2.388 3.379 . 0 0 "[ . 1 . 2]" 1
1125 1 80 TYR HB3 1 81 GLU H . . 4.760 3.765 3.582 4.007 . 0 0 "[ . 1 . 2]" 1
1126 1 80 TYR HB3 1 93 ALA HA . . 4.800 2.784 2.516 3.303 . 0 0 "[ . 1 . 2]" 1
1127 1 80 TYR HB3 1 97 ALA H . . 4.160 3.245 2.847 3.706 . 0 0 "[ . 1 . 2]" 1
1128 1 80 TYR HB3 1 97 ALA HA . . 3.850 4.224 3.795 4.550 0.700 18 6 "[ * . * - .* + *]" 1
1129 1 80 TYR HB3 1 97 ALA MB . . 3.910 2.582 2.176 2.821 . 0 0 "[ . 1 . 2]" 1
1130 1 80 TYR QD 1 81 GLU H . . 5.140 4.585 4.395 4.730 . 0 0 "[ . 1 . 2]" 1
1131 1 80 TYR QD 1 83 GLU H . . 5.500 5.043 4.620 5.492 . 0 0 "[ . 1 . 2]" 1
1132 1 80 TYR QD 1 93 ALA HA . . 3.410 2.892 2.103 3.430 0.020 12 0 "[ . 1 . 2]" 1
1133 1 80 TYR QD 1 93 ALA MB . . 3.270 2.358 2.127 2.636 . 0 0 "[ . 1 . 2]" 1
1134 1 80 TYR QD 1 96 ARG HD3 . . 4.880 3.974 3.310 5.117 0.237 10 0 "[ . 1 . 2]" 1
1135 1 80 TYR QD 1 97 ALA H . . 5.370 3.868 3.036 4.476 . 0 0 "[ . 1 . 2]" 1
1136 1 80 TYR QD 1 97 ALA HA . . 4.720 3.359 3.024 3.798 . 0 0 "[ . 1 . 2]" 1
1137 1 80 TYR QE 1 83 GLU HG3 . . 5.420 4.713 3.955 5.894 0.474 18 0 "[ . 1 . 2]" 1
1138 1 80 TYR QE 1 93 ALA HA . . 4.030 4.006 3.587 4.136 0.106 3 0 "[ . 1 . 2]" 1
1139 1 80 TYR QE 1 93 ALA MB . . 4.040 3.847 3.305 4.104 0.064 17 0 "[ . 1 . 2]" 1
1140 1 80 TYR QE 1 96 ARG HB3 . . 5.200 3.990 2.555 5.282 0.082 11 0 "[ . 1 . 2]" 1
1141 1 80 TYR QE 1 96 ARG HD3 . . 4.160 2.990 2.233 4.544 0.384 11 0 "[ . 1 . 2]" 1
1142 1 80 TYR QE 1 96 ARG HG3 . . 5.500 4.180 2.882 5.288 . 0 0 "[ . 1 . 2]" 1
1143 1 80 TYR QE 1 97 ALA HA . . 5.500 5.447 5.120 5.593 0.093 20 0 "[ . 1 . 2]" 1
1144 1 81 GLU H 1 81 GLU HB3 . . 3.810 3.581 3.464 3.685 . 0 0 "[ . 1 . 2]" 1
1145 1 81 GLU H 1 81 GLU HG3 . . 4.030 2.532 2.279 3.684 . 0 0 "[ . 1 . 2]" 1
1146 1 81 GLU H 1 82 GLN H . . 3.670 2.734 2.537 2.986 . 0 0 "[ . 1 . 2]" 1
1147 1 81 GLU H 1 83 GLU H . . 5.340 4.134 3.875 4.304 . 0 0 "[ . 1 . 2]" 1
1148 1 81 GLU H 1 97 ALA H . . 5.500 5.529 5.404 5.581 0.081 16 0 "[ . 1 . 2]" 1
1149 1 81 GLU H 1 97 ALA HA . . 4.930 4.531 3.924 4.959 0.029 18 0 "[ . 1 . 2]" 1
1150 1 81 GLU H 1 97 ALA MB . . 4.010 2.798 2.531 2.970 . 0 0 "[ . 1 . 2]" 1
1151 1 81 GLU HA 1 81 GLU HG3 . . 3.240 3.106 2.744 3.445 0.205 16 0 "[ . 1 . 2]" 1
1152 1 81 GLU HA 1 84 GLN H . . 4.340 3.522 3.315 3.839 . 0 0 "[ . 1 . 2]" 1
1153 1 81 GLU HA 1 84 GLN HE21 . . 4.610 2.299 1.952 3.100 . 0 0 "[ . 1 . 2]" 1
1154 1 81 GLU HA 1 84 GLN HE22 . . 4.240 2.544 2.303 3.081 . 0 0 "[ . 1 . 2]" 1
1155 1 81 GLU HA 1 85 GLN H . . 5.380 4.870 3.641 5.430 0.050 1 0 "[ . 1 . 2]" 1
1156 1 81 GLU HA 1 97 ALA MB . . 4.120 3.120 2.524 3.481 . 0 0 "[ . 1 . 2]" 1
1157 1 81 GLU HB3 1 82 GLN H . . 4.110 3.647 3.385 3.946 . 0 0 "[ . 1 . 2]" 1
1158 1 81 GLU HG3 1 82 GLN H . . 5.440 4.608 4.322 5.270 . 0 0 "[ . 1 . 2]" 1
1159 1 81 GLU HG3 1 84 GLN HE22 . . 5.500 4.294 3.108 5.322 . 0 0 "[ . 1 . 2]" 1
1160 1 81 GLU HG3 1 97 ALA MB . . 3.700 2.168 1.963 3.294 . 0 0 "[ . 1 . 2]" 1
1161 1 82 GLN H 1 82 GLN HB3 . . 3.630 3.564 3.374 3.684 0.054 5 0 "[ . 1 . 2]" 1
1162 1 82 GLN H 1 82 GLN HG3 . . 4.010 3.865 2.957 4.274 0.264 15 0 "[ . 1 . 2]" 1
1163 1 82 GLN H 1 83 GLU H . . 3.740 2.786 2.526 2.956 . 0 0 "[ . 1 . 2]" 1
1164 1 82 GLN H 1 84 GLN H . . 5.480 4.307 3.966 4.538 . 0 0 "[ . 1 . 2]" 1
1165 1 82 GLN H 1 84 GLN HE21 . . 5.500 5.106 4.652 5.566 0.066 7 0 "[ . 1 . 2]" 1
1166 1 82 GLN H 1 85 GLN QE . . 5.500 4.833 3.797 5.370 . 0 0 "[ . 1 . 2]" 1
1167 1 82 GLN HA 1 82 GLN HE21 . . 4.110 3.553 2.205 4.310 0.200 14 0 "[ . 1 . 2]" 1
1168 1 82 GLN HA 1 82 GLN HG3 . . 3.700 2.890 2.114 3.746 0.046 10 0 "[ . 1 . 2]" 1
1169 1 82 GLN HA 1 84 GLN H . . 4.940 3.949 3.360 4.347 . 0 0 "[ . 1 . 2]" 1
1170 1 82 GLN HA 1 85 GLN QE . . 5.250 2.514 1.766 3.094 . 0 0 "[ . 1 . 2]" 1
1171 1 82 GLN HB3 1 82 GLN HG3 . . 2.830 2.483 2.197 2.920 0.090 20 0 "[ . 1 . 2]" 1
1172 1 82 GLN HB3 1 83 GLU H . . 4.010 3.949 3.423 4.095 0.085 4 0 "[ . 1 . 2]" 1
1173 1 82 GLN HB3 1 85 GLN QE . . 4.900 3.134 2.281 4.529 . 0 0 "[ . 1 . 2]" 1
1174 1 83 GLU H 1 83 GLU HG3 . . 3.910 3.448 2.636 3.833 . 0 0 "[ . 1 . 2]" 1
1175 1 83 GLU H 1 84 GLN H . . 3.710 2.410 2.050 2.551 . 0 0 "[ . 1 . 2]" 1
1176 1 83 GLU H 1 84 GLN HA . . 4.990 5.005 4.725 5.075 0.085 9 0 "[ . 1 . 2]" 1
1177 1 83 GLU H 1 86 ARG H . . 5.500 5.370 5.078 5.574 0.074 6 0 "[ . 1 . 2]" 1
1178 1 83 GLU H 1 93 ALA MB . . 4.970 4.025 3.651 4.529 . 0 0 "[ . 1 . 2]" 1
1179 1 83 GLU HG3 1 84 GLN H . . 5.140 4.611 2.925 5.229 0.089 20 0 "[ . 1 . 2]" 1
1180 1 83 GLU HG3 1 93 ALA MB . . 4.610 2.585 2.004 4.120 . 0 0 "[ . 1 . 2]" 1
1181 1 84 GLN H 1 84 GLN HE22 . . 5.500 3.974 2.863 5.129 . 0 0 "[ . 1 . 2]" 1
1182 1 84 GLN H 1 84 GLN HG3 . . 4.050 3.553 2.644 4.113 0.063 17 0 "[ . 1 . 2]" 1
1183 1 84 GLN H 1 85 GLN H . . 3.570 2.550 1.968 2.830 . 0 0 "[ . 1 . 2]" 1
1184 1 84 GLN H 1 86 ARG H . . 5.000 4.175 3.637 4.686 . 0 0 "[ . 1 . 2]" 1
1185 1 84 GLN H 1 87 ASN H . . 5.120 4.882 4.539 5.200 0.080 20 0 "[ . 1 . 2]" 1
1186 1 84 GLN HA 1 84 GLN HG3 . . 3.800 2.671 2.262 3.836 0.036 14 0 "[ . 1 . 2]" 1
1187 1 84 GLN HA 1 87 ASN H . . 4.110 3.354 2.994 3.884 . 0 0 "[ . 1 . 2]" 1
1188 1 84 GLN HA 1 87 ASN HD22 . . 5.500 4.492 2.857 5.529 0.029 12 0 "[ . 1 . 2]" 1
1189 1 84 GLN HE21 1 94 LYS H . . 5.500 4.553 4.123 5.413 . 0 0 "[ . 1 . 2]" 1
1190 1 84 GLN HE21 1 94 LYS HA . . 4.370 3.103 2.513 3.705 . 0 0 "[ . 1 . 2]" 1
1191 1 84 GLN HE21 1 94 LYS HG3 . . 5.500 4.266 3.263 4.949 . 0 0 "[ . 1 . 2]" 1
1192 1 84 GLN HE21 1 97 ALA MB . . 4.440 3.109 2.674 3.652 . 0 0 "[ . 1 . 2]" 1
1193 1 84 GLN HE22 1 93 ALA HA . . 5.500 5.094 4.219 5.795 0.295 4 0 "[ . 1 . 2]" 1
1194 1 84 GLN HE22 1 93 ALA MB . . 4.520 3.414 2.301 4.314 . 0 0 "[ . 1 . 2]" 1
1195 1 84 GLN HE22 1 94 LYS HA . . 4.760 2.850 2.481 3.435 . 0 0 "[ . 1 . 2]" 1
1196 1 85 GLN HB3 1 86 ARG H . . 4.640 3.916 3.321 4.556 . 0 0 "[ . 1 . 2]" 1
1197 1 85 GLN QE 1 86 ARG H . . 4.600 4.191 2.786 4.550 . 0 0 "[ . 1 . 2]" 1
1198 1 85 GLN HG3 1 86 ARG H . . 4.040 3.337 2.075 4.123 0.083 12 0 "[ . 1 . 2]" 1
1199 1 86 ARG H 1 86 ARG HG3 . . 3.830 3.147 2.941 3.456 . 0 0 "[ . 1 . 2]" 1
1200 1 86 ARG H 1 87 ASN H . . 3.350 2.600 2.017 3.141 . 0 0 "[ . 1 . 2]" 1
1201 1 86 ARG H 1 87 ASN HA . . 5.380 5.115 4.622 5.455 0.075 14 0 "[ . 1 . 2]" 1
1202 1 86 ARG HA 1 86 ARG HG3 . . 3.960 3.797 3.704 3.906 . 0 0 "[ . 1 . 2]" 1
1203 1 86 ARG HG3 1 87 ASN H . . 4.730 2.601 2.123 3.368 . 0 0 "[ . 1 . 2]" 1
1204 1 86 ARG HG3 1 87 ASN HA . . 5.300 4.362 3.804 4.568 . 0 0 "[ . 1 . 2]" 1
1205 1 87 ASN H 1 87 ASN HB3 . . 3.790 3.551 3.279 3.776 . 0 0 "[ . 1 . 2]" 1
1206 1 87 ASN H 1 87 ASN HD22 . . 5.500 3.880 3.400 4.879 . 0 0 "[ . 1 . 2]" 1
1207 1 87 ASN H 1 88 GLU H . . 4.050 3.799 3.069 4.153 0.103 20 0 "[ . 1 . 2]" 1
1208 1 87 ASN H 1 89 ASN H . . 5.370 5.028 4.518 5.450 0.080 12 0 "[ . 1 . 2]" 1
1209 1 87 ASN HA 1 88 GLU H . . 3.100 2.186 2.004 2.413 . 0 0 "[ . 1 . 2]" 1
1210 1 87 ASN HA 1 88 GLU HA . . 4.710 4.479 4.284 4.609 . 0 0 "[ . 1 . 2]" 1
1211 1 87 ASN HB3 1 87 ASN HD21 . . 3.490 3.353 2.291 3.631 0.141 11 0 "[ . 1 . 2]" 1
1212 1 87 ASN HB3 1 87 ASN HD22 . . 3.890 3.999 3.504 4.160 0.270 8 0 "[ . 1 . 2]" 1
1213 1 87 ASN HB3 1 88 GLU H . . 4.620 4.229 3.617 4.554 . 0 0 "[ . 1 . 2]" 1
1214 1 87 ASN HD21 1 88 GLU H . . 5.500 4.764 4.157 5.575 0.075 5 0 "[ . 1 . 2]" 1
1215 1 87 ASN HD21 1 89 ASN H . . 5.500 4.406 3.212 5.122 . 0 0 "[ . 1 . 2]" 1
1216 1 87 ASN HD21 1 90 ASN HA . . 5.500 5.201 4.777 5.584 0.084 2 0 "[ . 1 . 2]" 1
1217 1 87 ASN HD21 1 90 ASN HD22 . . 5.500 5.167 4.025 5.572 0.072 9 0 "[ . 1 . 2]" 1
1218 1 87 ASN HD22 1 90 ASN HD21 . . 5.500 4.011 2.669 5.578 0.078 8 0 "[ . 1 . 2]" 1
1219 1 88 GLU H 1 88 GLU HB3 . . 3.770 3.367 2.447 3.741 . 0 0 "[ . 1 . 2]" 1
1220 1 88 GLU H 1 89 ASN H . . 3.700 2.738 2.494 3.183 . 0 0 "[ . 1 . 2]" 1
1221 1 88 GLU H 1 89 ASN HD21 . . 5.500 4.589 3.697 5.581 0.081 19 0 "[ . 1 . 2]" 1
1222 1 88 GLU HA 1 89 ASN H . . 3.570 3.416 3.104 3.527 . 0 0 "[ . 1 . 2]" 1
1223 1 88 GLU HA 1 90 ASN H . . 4.580 3.753 3.069 4.645 0.065 12 0 "[ . 1 . 2]" 1
1224 1 88 GLU HB3 1 89 ASN H . . 4.350 3.921 3.495 4.518 0.168 15 0 "[ . 1 . 2]" 1
1225 1 88 GLU HB3 1 89 ASN HA . . 5.230 4.571 4.026 5.952 0.722 15 1 "[ . 1 + 2]" 1
1226 1 88 GLU HB3 1 89 ASN HD22 . . 5.500 4.754 2.453 6.166 0.666 11 1 "[ . 1+ . 2]" 1
1227 1 89 ASN H 1 89 ASN HB3 . . 3.730 3.591 3.279 3.800 0.070 12 0 "[ . 1 . 2]" 1
1228 1 89 ASN H 1 89 ASN HD21 . . 5.020 3.146 2.397 3.915 . 0 0 "[ . 1 . 2]" 1
1229 1 89 ASN H 1 89 ASN HD22 . . 5.500 4.070 3.465 5.056 . 0 0 "[ . 1 . 2]" 1
1230 1 89 ASN H 1 90 ASN H . . 3.600 2.938 2.150 3.625 0.025 3 0 "[ . 1 . 2]" 1
1231 1 89 ASN HA 1 89 ASN HD21 . . 4.610 2.903 2.059 4.388 . 0 0 "[ . 1 . 2]" 1
1232 1 89 ASN HA 1 90 ASN H . . 3.460 3.078 2.691 3.362 . 0 0 "[ . 1 . 2]" 1
1233 1 89 ASN HA 1 90 ASN HA . . 4.900 4.566 4.331 4.760 . 0 0 "[ . 1 . 2]" 1
1234 1 89 ASN HA 1 91 PRO HD3 . . 4.830 3.643 2.972 4.106 . 0 0 "[ . 1 . 2]" 1
1235 1 90 ASN H 1 90 ASN HB3 . . 3.930 3.096 2.585 3.629 . 0 0 "[ . 1 . 2]" 1
1236 1 90 ASN H 1 90 ASN HD21 . . 5.430 4.947 4.321 5.326 . 0 0 "[ . 1 . 2]" 1
1237 1 90 ASN H 1 91 PRO HD3 . . 5.340 3.666 3.084 4.185 . 0 0 "[ . 1 . 2]" 1
1238 1 90 ASN HA 1 90 ASN HD22 . . 5.500 4.117 3.346 5.176 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ASN HA 1 91 PRO HD3 . . 3.310 2.912 2.798 3.046 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ASN HA 1 91 PRO HG3 . . 4.540 4.623 4.610 4.636 0.096 2 0 "[ . 1 . 2]" 1
1241 1 90 ASN HA 1 92 THR H . . 4.380 3.483 3.245 4.027 . 0 0 "[ . 1 . 2]" 1
1242 1 90 ASN HA 1 93 ALA H . . 5.500 4.587 4.071 5.008 . 0 0 "[ . 1 . 2]" 1
1243 1 90 ASN HA 1 93 ALA MB . . 5.500 4.817 4.287 5.223 . 0 0 "[ . 1 . 2]" 1
1244 1 90 ASN HB3 1 91 PRO HD3 . . 5.190 5.142 5.038 5.231 0.041 12 0 "[ . 1 . 2]" 1
1245 1 90 ASN HB3 1 93 ALA H . . 5.340 3.789 2.733 5.099 . 0 0 "[ . 1 . 2]" 1
1246 1 90 ASN HB3 1 93 ALA MB . . 4.490 2.982 2.196 4.402 . 0 0 "[ . 1 . 2]" 1
1247 1 90 ASN HD21 1 92 THR H . . 5.220 4.454 3.026 5.300 0.080 17 0 "[ . 1 . 2]" 1
1248 1 90 ASN HD21 1 92 THR HB . . 5.500 4.067 3.102 4.969 . 0 0 "[ . 1 . 2]" 1
1249 1 90 ASN HD21 1 92 THR MG . . 5.500 5.207 4.587 5.605 0.105 17 0 "[ . 1 . 2]" 1
1250 1 90 ASN HD21 1 93 ALA MB . . 4.390 2.965 1.927 4.449 0.059 4 0 "[ . 1 . 2]" 1
1251 1 90 ASN HD22 1 92 THR H . . 5.500 5.102 3.783 5.582 0.082 15 0 "[ . 1 . 2]" 1
1252 1 90 ASN HD22 1 92 THR HB . . 5.260 4.248 2.568 5.332 0.072 15 0 "[ . 1 . 2]" 1
1253 1 90 ASN HD22 1 93 ALA MB . . 4.910 3.587 2.014 4.996 0.086 16 0 "[ . 1 . 2]" 1
1254 1 91 PRO HA 1 93 ALA H . . 5.210 4.786 4.411 5.233 0.023 19 0 "[ . 1 . 2]" 1
1255 1 91 PRO HA 1 94 LYS H . . 3.750 3.366 3.065 3.799 0.049 12 0 "[ . 1 . 2]" 1
1256 1 91 PRO HA 1 94 LYS HA . . 5.080 4.888 4.730 5.138 0.058 19 0 "[ . 1 . 2]" 1
1257 1 91 PRO HA 1 94 LYS HD3 . . 5.140 4.223 3.854 4.414 . 0 0 "[ . 1 . 2]" 1
1258 1 91 PRO HA 1 94 LYS HE3 . . 4.900 3.271 2.012 4.139 . 0 0 "[ . 1 . 2]" 1
1259 1 91 PRO HA 1 94 LYS HG3 . . 5.320 4.874 4.799 4.891 . 0 0 "[ . 1 . 2]" 1
1260 1 91 PRO HA 1 95 TYR H . . 4.470 3.790 3.384 4.493 0.023 19 0 "[ . 1 . 2]" 1
1261 1 91 PRO HA 1 95 TYR QE . . 5.070 4.377 3.668 4.955 . 0 0 "[ . 1 . 2]" 1
1262 1 91 PRO HB3 1 92 THR H . . 4.450 4.333 4.174 4.518 0.068 6 0 "[ . 1 . 2]" 1
1263 1 91 PRO HB3 1 95 TYR H . . 5.500 5.451 5.135 6.192 0.692 19 1 "[ . 1 . +2]" 1
1264 1 91 PRO HB3 1 95 TYR QD . . 4.170 4.306 4.067 4.701 0.531 19 1 "[ . 1 . +2]" 1
1265 1 91 PRO HB3 1 95 TYR QE . . 3.870 3.446 2.872 4.027 0.157 3 0 "[ . 1 . 2]" 1
1266 1 91 PRO HD3 1 92 THR H . . 4.710 3.979 3.827 4.137 . 0 0 "[ . 1 . 2]" 1
1267 1 91 PRO HG3 1 92 THR H . . 4.380 4.075 3.862 4.405 0.025 6 0 "[ . 1 . 2]" 1
1268 1 91 PRO HG3 1 95 TYR QD . . 5.500 5.499 5.184 5.588 0.088 19 0 "[ . 1 . 2]" 1
1269 1 91 PRO HG3 1 95 TYR QE . . 5.500 4.752 4.388 5.369 . 0 0 "[ . 1 . 2]" 1
1270 1 92 THR H 1 92 THR HB . . 3.050 2.543 2.342 2.911 . 0 0 "[ . 1 . 2]" 1
1271 1 92 THR H 1 92 THR MG . . 4.220 3.693 3.518 3.786 . 0 0 "[ . 1 . 2]" 1
1272 1 92 THR H 1 93 ALA H . . 3.340 2.925 2.645 3.157 . 0 0 "[ . 1 . 2]" 1
1273 1 92 THR H 1 93 ALA MB . . 4.880 4.432 4.185 4.727 . 0 0 "[ . 1 . 2]" 1
1274 1 92 THR HA 1 95 TYR H . . 4.670 4.014 3.827 4.192 . 0 0 "[ . 1 . 2]" 1
1275 1 92 THR HA 1 95 TYR HB3 . . 5.350 5.524 5.223 5.717 0.367 19 0 "[ . 1 . 2]" 1
1276 1 92 THR HA 1 95 TYR QD . . 5.500 3.638 3.225 4.022 . 0 0 "[ . 1 . 2]" 1
1277 1 92 THR HA 1 96 ARG H . . 5.500 4.343 4.026 4.660 . 0 0 "[ . 1 . 2]" 1
1278 1 92 THR HB 1 93 ALA H . . 3.480 2.350 1.858 2.680 . 0 0 "[ . 1 . 2]" 1
1279 1 92 THR MG 1 93 ALA H . . 4.070 3.324 3.016 3.963 . 0 0 "[ . 1 . 2]" 1
1280 1 92 THR MG 1 93 ALA MB . . 5.130 4.104 3.749 4.737 . 0 0 "[ . 1 . 2]" 1
1281 1 92 THR MG 1 94 LYS H . . 5.500 5.211 5.005 5.479 . 0 0 "[ . 1 . 2]" 1
1282 1 92 THR MG 1 95 TYR HB3 . . 5.040 6.365 6.111 6.501 1.461 19 20 [*****-************+*] 1
1283 1 92 THR MG 1 96 ARG H . . 4.750 4.661 4.215 4.834 0.084 9 0 "[ . 1 . 2]" 1
1284 1 92 THR MG 1 96 ARG HB3 . . 5.180 4.956 4.159 5.823 0.643 9 2 "[ . +1 - 2]" 1
1285 1 93 ALA H 1 93 ALA MB . . 3.130 2.175 2.056 2.245 . 0 0 "[ . 1 . 2]" 1
1286 1 93 ALA H 1 96 ARG H . . 5.500 5.033 4.806 5.253 . 0 0 "[ . 1 . 2]" 1
1287 1 93 ALA HA 1 95 TYR H . . 5.320 4.762 4.163 5.261 . 0 0 "[ . 1 . 2]" 1
1288 1 93 ALA HA 1 96 ARG H . . 4.160 3.742 3.326 4.230 0.070 3 0 "[ . 1 . 2]" 1
1289 1 93 ALA HA 1 96 ARG HD3 . . 5.500 4.207 3.714 4.713 . 0 0 "[ . 1 . 2]" 1
1290 1 93 ALA HA 1 96 ARG HG3 . . 4.880 3.426 2.778 3.898 . 0 0 "[ . 1 . 2]" 1
1291 1 94 LYS H 1 94 LYS HG3 . . 4.910 4.219 3.898 4.379 . 0 0 "[ . 1 . 2]" 1
1292 1 94 LYS H 1 95 TYR H . . 3.530 3.117 2.878 3.222 . 0 0 "[ . 1 . 2]" 1
1293 1 94 LYS H 1 96 ARG H . . 5.070 4.463 4.296 4.785 . 0 0 "[ . 1 . 2]" 1
1294 1 94 LYS HA 1 94 LYS HD3 . . 4.950 3.858 3.265 4.131 . 0 0 "[ . 1 . 2]" 1
1295 1 94 LYS HA 1 94 LYS HG3 . . 3.940 2.283 2.082 2.486 . 0 0 "[ . 1 . 2]" 1
1296 1 94 LYS HE3 1 95 TYR QE . . 5.500 4.897 4.038 5.571 0.071 17 0 "[ . 1 . 2]" 1
1297 1 94 LYS HG3 1 95 TYR H . . 4.840 4.609 4.084 5.087 0.247 18 0 "[ . 1 . 2]" 1
1298 1 94 LYS HG3 1 95 TYR HA . . 5.160 5.096 4.406 5.729 0.569 15 1 "[ . 1 + 2]" 1
1299 1 94 LYS HG3 1 95 TYR QE . . 5.500 6.615 5.834 6.980 1.480 18 19 "[*****-******* ***+**]" 1
1300 1 95 TYR H 1 95 TYR HB3 . . 3.330 3.612 3.538 3.725 0.395 19 0 "[ . 1 . 2]" 1
1301 1 95 TYR H 1 95 TYR QD . . 3.710 3.063 2.725 3.654 . 0 0 "[ . 1 . 2]" 1
1302 1 95 TYR H 1 95 TYR QE . . 5.200 4.789 4.505 5.255 0.055 19 0 "[ . 1 . 2]" 1
1303 1 95 TYR H 1 96 ARG H . . 3.670 2.724 2.207 2.967 . 0 0 "[ . 1 . 2]" 1
1304 1 95 TYR H 1 96 ARG HB3 . . 5.500 5.796 4.734 6.392 0.892 4 11 "[* +*** *1 -*** * 2]" 1
1305 1 95 TYR H 1 97 ALA H . . 4.890 4.388 3.925 4.609 . 0 0 "[ . 1 . 2]" 1
1306 1 95 TYR HA 1 95 TYR QD . . 3.210 2.475 2.189 2.766 . 0 0 "[ . 1 . 2]" 1
1307 1 95 TYR HA 1 95 TYR QE . . 4.800 4.466 4.213 4.676 . 0 0 "[ . 1 . 2]" 1
1308 1 95 TYR HA 1 96 ARG HA . . 5.500 4.778 4.614 4.937 . 0 0 "[ . 1 . 2]" 1
1309 1 95 TYR HA 1 98 ARG H . . 4.120 3.682 3.261 4.185 0.065 18 0 "[ . 1 . 2]" 1
1310 1 95 TYR HA 1 98 ARG HB3 . . 3.880 3.785 2.981 3.960 0.080 9 0 "[ . 1 . 2]" 1
1311 1 95 TYR HA 1 98 ARG HD3 . . 4.060 4.048 3.578 4.358 0.298 7 0 "[ . 1 . 2]" 1
1312 1 95 TYR HA 1 99 LEU H . . 5.030 4.086 3.832 4.614 . 0 0 "[ . 1 . 2]" 1
1313 1 95 TYR HB3 1 96 ARG H . . 3.940 3.634 3.436 3.808 . 0 0 "[ . 1 . 2]" 1
1314 1 95 TYR HB3 1 96 ARG HA . . 5.090 4.317 4.039 4.533 . 0 0 "[ . 1 . 2]" 1
1315 1 95 TYR HB3 1 96 ARG HB3 . . 5.260 5.819 4.782 6.679 1.419 5 11 "[* *+*- *1 **** * 2]" 1
1316 1 95 TYR QD 1 98 ARG HD3 . . 5.370 4.379 3.805 4.786 . 0 0 "[ . 1 . 2]" 1
1317 1 96 ARG H 1 96 ARG HB3 . . 4.070 3.164 2.504 3.656 . 0 0 "[ . 1 . 2]" 1
1318 1 96 ARG H 1 96 ARG HD3 . . 5.500 4.649 3.650 4.969 . 0 0 "[ . 1 . 2]" 1
1319 1 96 ARG H 1 96 ARG HG3 . . 3.730 2.845 2.233 3.765 0.035 10 0 "[ . 1 . 2]" 1
1320 1 96 ARG HA 1 96 ARG HD3 . . 5.180 4.503 4.226 4.848 . 0 0 "[ . 1 . 2]" 1
1321 1 96 ARG HA 1 96 ARG HG3 . . 4.050 3.400 2.847 3.881 . 0 0 "[ . 1 . 2]" 1
1322 1 96 ARG HA 1 98 ARG H . . 5.430 4.740 4.472 4.940 . 0 0 "[ . 1 . 2]" 1
1323 1 96 ARG HA 1 99 LEU H . . 4.050 3.389 3.016 3.725 . 0 0 "[ . 1 . 2]" 1
1324 1 96 ARG HA 1 99 LEU HB3 . . 3.840 2.706 2.188 3.357 . 0 0 "[ . 1 . 2]" 1
1325 1 96 ARG HA 1 99 LEU QD . . 4.360 3.193 2.903 3.521 . 0 0 "[ . 1 . 2]" 1
1326 1 96 ARG HA 1 100 MET H . . 4.830 4.004 3.598 4.453 . 0 0 "[ . 1 . 2]" 1
1327 1 97 ALA H 1 97 ALA MB . . 3.200 2.116 1.891 2.222 . 0 0 "[ . 1 . 2]" 1
1328 1 97 ALA H 1 98 ARG H . . 3.610 2.790 2.720 2.863 . 0 0 "[ . 1 . 2]" 1
1329 1 97 ALA H 1 98 ARG HA . . 5.260 5.331 5.306 5.346 0.086 17 0 "[ . 1 . 2]" 1
1330 1 97 ALA HA 1 100 MET HG3 . . 5.160 3.904 2.537 4.976 . 0 0 "[ . 1 . 2]" 1
1331 1 97 ALA MB 1 98 ARG H . . 3.450 2.278 2.035 2.527 . 0 0 "[ . 1 . 2]" 1
1332 1 98 ARG H 1 98 ARG HB3 . . 3.910 3.395 2.889 3.537 . 0 0 "[ . 1 . 2]" 1
1333 1 98 ARG H 1 98 ARG HD3 . . 4.800 4.619 4.239 4.865 0.065 19 0 "[ . 1 . 2]" 1
1334 1 98 ARG H 1 99 LEU H . . 3.600 2.883 2.754 3.086 . 0 0 "[ . 1 . 2]" 1
1335 1 98 ARG HA 1 98 ARG HD3 . . 5.210 4.480 4.355 4.622 . 0 0 "[ . 1 . 2]" 1
1336 1 98 ARG HB3 1 99 LEU H . . 4.600 3.353 2.841 3.722 . 0 0 "[ . 1 . 2]" 1
1337 1 99 LEU H 1 99 LEU HB3 . . 3.400 2.526 2.237 2.947 . 0 0 "[ . 1 . 2]" 1
1338 1 99 LEU H 1 99 LEU QD . . 4.450 3.733 3.658 3.782 . 0 0 "[ . 1 . 2]" 1
1339 1 99 LEU H 1 99 LEU HG . . 4.730 4.329 4.046 4.504 . 0 0 "[ . 1 . 2]" 1
1340 1 99 LEU H 1 100 MET H . . 3.720 2.759 2.557 2.901 . 0 0 "[ . 1 . 2]" 1
1341 1 99 LEU H 1 101 LYS H . . 5.140 4.133 3.887 4.640 . 0 0 "[ . 1 . 2]" 1
1342 1 99 LEU HA 1 99 LEU QD . . 3.240 2.377 2.091 2.792 . 0 0 "[ . 1 . 2]" 1
1343 1 99 LEU HA 1 102 LYS H . . 4.460 3.628 3.442 3.952 . 0 0 "[ . 1 . 2]" 1
1344 1 99 LEU HA 1 103 ILE H . . 5.460 4.429 4.121 4.907 . 0 0 "[ . 1 . 2]" 1
1345 1 99 LEU HB3 1 100 MET H . . 4.280 2.416 2.129 2.586 . 0 0 "[ . 1 . 2]" 1
1346 1 99 LEU QD 1 100 MET H . . 4.020 3.643 3.328 3.765 . 0 0 "[ . 1 . 2]" 1
1347 1 99 LEU QD 1 103 ILE H . . 4.210 3.787 3.532 4.205 . 0 0 "[ . 1 . 2]" 1
1348 1 99 LEU HG 1 103 ILE H . . 5.500 5.264 4.807 5.580 0.080 3 0 "[ . 1 . 2]" 1
1349 1 99 LEU HG 1 103 ILE MD . . 3.860 2.940 2.178 3.982 0.122 15 0 "[ . 1 . 2]" 1
1350 1 100 MET H 1 100 MET HG3 . . 3.930 3.638 3.054 3.895 . 0 0 "[ . 1 . 2]" 1
1351 1 100 MET H 1 101 LYS H . . 3.730 2.897 2.769 3.103 . 0 0 "[ . 1 . 2]" 1
1352 1 100 MET H 1 103 ILE H . . 5.200 4.864 4.641 5.171 . 0 0 "[ . 1 . 2]" 1
1353 1 100 MET HA 1 100 MET ME . . 3.690 3.467 2.170 3.806 0.116 5 0 "[ . 1 . 2]" 1
1354 1 100 MET HA 1 102 LYS H . . 5.500 4.606 4.114 4.953 . 0 0 "[ . 1 . 2]" 1
1355 1 100 MET HA 1 103 ILE H . . 3.870 3.385 3.081 3.660 . 0 0 "[ . 1 . 2]" 1
1356 1 100 MET HA 1 103 ILE HB . . 3.580 2.515 2.207 3.541 . 0 0 "[ . 1 . 2]" 1
1357 1 100 MET HA 1 103 ILE MD . . 3.740 2.322 2.143 2.862 . 0 0 "[ . 1 . 2]" 1
1358 1 100 MET HA 1 103 ILE HG13 . . 5.500 3.741 2.571 4.328 . 0 0 "[ . 1 . 2]" 1
1359 1 100 MET HA 1 103 ILE MG . . 4.530 3.766 3.434 4.486 . 0 0 "[ . 1 . 2]" 1
1360 1 100 MET HA 1 104 ALA H . . 4.830 4.150 3.795 4.878 0.048 11 0 "[ . 1 . 2]" 1
1361 1 100 MET ME 1 100 MET HG3 . . 3.790 2.471 2.170 3.450 . 0 0 "[ . 1 . 2]" 1
1362 1 100 MET ME 1 103 ILE MD . . 3.730 3.330 2.417 3.841 0.111 4 0 "[ . 1 . 2]" 1
1363 1 100 MET HG3 1 101 LYS H . . 5.160 4.964 4.517 5.168 0.008 18 0 "[ . 1 . 2]" 1
1364 1 101 LYS H 1 101 LYS HB3 . . 3.340 2.653 2.445 2.828 . 0 0 "[ . 1 . 2]" 1
1365 1 101 LYS H 1 102 LYS H . . 3.670 2.971 2.741 3.212 . 0 0 "[ . 1 . 2]" 1
1366 1 101 LYS H 1 103 ILE H . . 5.450 4.229 4.024 4.556 . 0 0 "[ . 1 . 2]" 1
1367 1 101 LYS H 1 103 ILE MD . . 5.500 5.139 4.834 5.391 . 0 0 "[ . 1 . 2]" 1
1368 1 101 LYS HA 1 101 LYS HD3 . . 4.090 3.821 2.934 4.283 0.193 17 0 "[ . 1 . 2]" 1
1369 1 101 LYS HA 1 103 ILE H . . 5.400 4.432 4.051 4.807 . 0 0 "[ . 1 . 2]" 1
1370 1 101 LYS HA 1 104 ALA H . . 4.540 3.621 3.395 3.886 . 0 0 "[ . 1 . 2]" 1
1371 1 101 LYS HB3 1 102 LYS H . . 3.650 2.388 2.083 2.698 . 0 0 "[ . 1 . 2]" 1
1372 1 101 LYS HB3 1 102 LYS HA . . 4.630 4.292 4.036 4.515 . 0 0 "[ . 1 . 2]" 1
1373 1 102 LYS H 1 102 LYS HB3 . . 3.460 3.239 2.853 3.542 0.082 13 0 "[ . 1 . 2]" 1
1374 1 102 LYS H 1 103 ILE H . . 3.660 2.775 2.442 2.961 . 0 0 "[ . 1 . 2]" 1
1375 1 102 LYS H 1 103 ILE HA . . 5.500 5.373 5.067 5.566 0.066 19 0 "[ . 1 . 2]" 1
1376 1 102 LYS H 1 104 ALA H . . 4.770 4.376 4.172 4.576 . 0 0 "[ . 1 . 2]" 1
1377 1 102 LYS H 1 105 ASP H . . 5.360 4.807 4.656 5.176 . 0 0 "[ . 1 . 2]" 1
1378 1 102 LYS HA 1 102 LYS HG3 . . 3.420 2.508 2.064 3.384 . 0 0 "[ . 1 . 2]" 1
1379 1 102 LYS HA 1 104 ALA H . . 5.500 4.498 4.298 4.637 . 0 0 "[ . 1 . 2]" 1
1380 1 102 LYS HA 1 104 ALA MB . . 5.050 4.960 4.801 5.144 0.094 19 0 "[ . 1 . 2]" 1
1381 1 102 LYS HA 1 105 ASP H . . 3.840 3.248 2.998 3.471 . 0 0 "[ . 1 . 2]" 1
1382 1 102 LYS HA 1 105 ASP HB3 . . 3.790 2.793 2.277 3.827 0.037 17 0 "[ . 1 . 2]" 1
1383 1 102 LYS HA 1 106 LEU H . . 4.890 4.461 3.736 4.955 0.065 16 0 "[ . 1 . 2]" 1
1384 1 102 LYS HA 1 106 LEU QD . . 5.500 4.171 3.770 4.863 . 0 0 "[ . 1 . 2]" 1
1385 1 102 LYS HA 1 106 LEU HG . . 5.500 4.398 3.834 4.914 . 0 0 "[ . 1 . 2]" 1
1386 1 102 LYS HB3 1 103 ILE H . . 4.260 3.165 2.637 3.785 . 0 0 "[ . 1 . 2]" 1
1387 1 102 LYS HB3 1 105 ASP H . . 5.470 5.101 4.771 5.370 . 0 0 "[ . 1 . 2]" 1
1388 1 102 LYS HB3 1 106 LEU QD . . 4.600 3.610 2.626 4.561 . 0 0 "[ . 1 . 2]" 1
1389 1 102 LYS HG3 1 106 LEU QD . . 4.690 4.451 3.362 5.480 0.790 8 4 "[ . + 1 .- * *]" 1
1390 1 103 ILE H 1 103 ILE HB . . 3.240 2.338 2.243 2.600 . 0 0 "[ . 1 . 2]" 1
1391 1 103 ILE H 1 103 ILE MD . . 3.830 3.371 3.013 3.704 . 0 0 "[ . 1 . 2]" 1
1392 1 103 ILE H 1 103 ILE HG13 . . 3.710 2.358 1.928 2.551 . 0 0 "[ . 1 . 2]" 1
1393 1 103 ILE H 1 103 ILE MG . . 3.670 3.732 3.693 3.762 0.092 8 0 "[ . 1 . 2]" 1
1394 1 103 ILE H 1 104 ALA MB . . 4.980 4.363 4.169 4.603 . 0 0 "[ . 1 . 2]" 1
1395 1 103 ILE H 1 106 LEU QD . . 5.260 4.730 4.119 5.236 . 0 0 "[ . 1 . 2]" 1
1396 1 103 ILE HA 1 103 ILE MD . . 3.830 3.842 3.790 3.914 0.084 11 0 "[ . 1 . 2]" 1
1397 1 103 ILE HA 1 103 ILE HG13 . . 3.990 2.733 2.500 3.299 . 0 0 "[ . 1 . 2]" 1
1398 1 103 ILE HA 1 103 ILE MG . . 3.270 2.580 2.352 2.689 . 0 0 "[ . 1 . 2]" 1
1399 1 103 ILE HA 1 105 ASP H . . 5.050 3.948 3.719 4.174 . 0 0 "[ . 1 . 2]" 1
1400 1 103 ILE HA 1 106 LEU H . . 3.860 3.690 3.479 3.873 0.013 16 0 "[ . 1 . 2]" 1
1401 1 103 ILE HA 1 106 LEU HB3 . . 4.120 4.978 4.637 5.563 1.443 12 20 [***********+*****-**] 1
1402 1 103 ILE HA 1 106 LEU QD . . 3.920 3.265 2.563 3.929 0.009 6 0 "[ . 1 . 2]" 1
1403 1 103 ILE HA 1 106 LEU HG . . 5.020 4.680 4.213 5.083 0.063 19 0 "[ . 1 . 2]" 1
1404 1 103 ILE HA 1 107 TRP HE3 . . 4.490 4.387 4.045 4.548 0.058 9 0 "[ . 1 . 2]" 1
1405 1 103 ILE HB 1 103 ILE MD . . 3.680 2.384 2.283 2.466 . 0 0 "[ . 1 . 2]" 1
1406 1 103 ILE HB 1 104 ALA H . . 3.780 2.738 2.540 2.963 . 0 0 "[ . 1 . 2]" 1
1407 1 103 ILE HB 1 104 ALA HA . . 5.240 4.726 4.396 4.897 . 0 0 "[ . 1 . 2]" 1
1408 1 103 ILE HB 1 104 ALA MB . . 5.200 4.148 3.911 4.380 . 0 0 "[ . 1 . 2]" 1
1409 1 103 ILE MD 1 103 ILE MG . . 3.150 2.143 2.072 2.238 . 0 0 "[ . 1 . 2]" 1
1410 1 103 ILE MD 1 107 TRP HZ3 . . 5.500 4.646 4.386 5.090 . 0 0 "[ . 1 . 2]" 1
1411 1 103 ILE MG 1 104 ALA H . . 4.640 3.291 2.967 3.693 . 0 0 "[ . 1 . 2]" 1
1412 1 103 ILE MG 1 104 ALA HA . . 4.190 3.542 3.224 4.061 . 0 0 "[ . 1 . 2]" 1
1413 1 103 ILE MG 1 105 ASP H . . 5.500 4.767 4.543 4.947 . 0 0 "[ . 1 . 2]" 1
1414 1 103 ILE MG 1 106 LEU H . . 5.500 4.850 4.568 5.174 . 0 0 "[ . 1 . 2]" 1
1415 1 103 ILE MG 1 107 TRP HE3 . . 3.500 2.507 2.275 2.724 . 0 0 "[ . 1 . 2]" 1
1416 1 103 ILE MG 1 107 TRP HZ3 . . 3.470 2.199 2.025 2.583 . 0 0 "[ . 1 . 2]" 1
1417 1 104 ALA H 1 104 ALA MB . . 3.020 2.195 2.103 2.248 . 0 0 "[ . 1 . 2]" 1
1418 1 104 ALA H 1 105 ASP H . . 3.510 2.679 2.533 2.900 . 0 0 "[ . 1 . 2]" 1
1419 1 104 ALA H 1 106 LEU H . . 5.130 4.401 4.197 4.744 . 0 0 "[ . 1 . 2]" 1
1420 1 104 ALA HA 1 106 LEU H . . 4.900 4.178 3.623 4.752 . 0 0 "[ . 1 . 2]" 1
1421 1 104 ALA HA 1 107 TRP H . . 3.890 3.649 3.482 3.928 0.038 13 0 "[ . 1 . 2]" 1
1422 1 104 ALA HA 1 107 TRP HA . . 4.730 4.593 4.210 4.802 0.072 16 0 "[ . 1 . 2]" 1
1423 1 104 ALA HA 1 107 TRP HB3 . . 3.630 3.833 3.285 4.043 0.413 15 0 "[ . 1 . 2]" 1
1424 1 104 ALA HA 1 107 TRP HE3 . . 4.380 3.065 2.729 3.482 . 0 0 "[ . 1 . 2]" 1
1425 1 104 ALA MB 1 105 ASP H . . 3.400 2.978 2.653 3.353 . 0 0 "[ . 1 . 2]" 1
1426 1 104 ALA MB 1 105 ASP HA . . 4.130 4.004 3.802 4.215 0.085 16 0 "[ . 1 . 2]" 1
1427 1 104 ALA MB 1 106 LEU H . . 4.910 4.642 4.311 4.961 0.051 13 0 "[ . 1 . 2]" 1
1428 1 104 ALA MB 1 107 TRP H . . 4.940 4.659 4.480 5.007 0.067 16 0 "[ . 1 . 2]" 1
1429 1 104 ALA MB 1 107 TRP HB3 . . 4.450 4.705 4.164 5.059 0.609 13 2 "[ . 1 + - 2]" 1
1430 1 105 ASP H 1 105 ASP HB3 . . 3.490 2.739 2.381 3.517 0.027 17 0 "[ . 1 . 2]" 1
1431 1 105 ASP H 1 106 LEU H . . 3.460 2.435 1.962 2.674 . 0 0 "[ . 1 . 2]" 1
1432 1 105 ASP H 1 106 LEU HB3 . . 5.440 5.918 5.297 6.287 0.847 5 9 "[ * *+* -*1** . *]" 1
1433 1 105 ASP H 1 106 LEU QD . . 5.500 4.460 3.892 4.804 . 0 0 "[ . 1 . 2]" 1
1434 1 105 ASP H 1 106 LEU HG . . 4.810 4.291 3.547 4.496 . 0 0 "[ . 1 . 2]" 1
1435 1 105 ASP H 1 107 TRP H . . 4.620 3.982 3.588 4.163 . 0 0 "[ . 1 . 2]" 1
1436 1 105 ASP H 1 107 TRP HE3 . . 5.330 5.397 5.321 5.415 0.085 1 0 "[ . 1 . 2]" 1
1437 1 105 ASP HB3 1 106 LEU H . . 4.130 2.796 2.134 3.724 . 0 0 "[ . 1 . 2]" 1
1438 1 105 ASP HB3 1 106 LEU QD . . 5.340 3.479 3.248 3.681 . 0 0 "[ . 1 . 2]" 1
1439 1 105 ASP HB3 1 106 LEU HG . . 4.650 2.673 2.357 2.986 . 0 0 "[ . 1 . 2]" 1
1440 1 106 LEU H 1 106 LEU HB3 . . 3.660 3.605 3.467 3.696 0.036 5 0 "[ . 1 . 2]" 1
1441 1 106 LEU H 1 106 LEU QD . . 4.140 3.259 3.076 3.515 . 0 0 "[ . 1 . 2]" 1
1442 1 106 LEU H 1 106 LEU HG . . 3.190 2.681 2.334 3.125 . 0 0 "[ . 1 . 2]" 1
1443 1 106 LEU H 1 107 TRP H . . 3.340 2.593 2.142 2.963 . 0 0 "[ . 1 . 2]" 1
1444 1 106 LEU H 1 107 TRP HA . . 4.930 4.571 4.099 4.936 0.006 13 0 "[ . 1 . 2]" 1
1445 1 106 LEU H 1 107 TRP HB3 . . 4.870 5.225 4.688 5.664 0.794 3 8 "[ + .***** -* . 2]" 1
1446 1 106 LEU HA 1 106 LEU QD . . 2.860 2.259 2.135 2.385 . 0 0 "[ . 1 . 2]" 1
1447 1 106 LEU HA 1 106 LEU HG . . 3.310 2.996 2.880 3.080 . 0 0 "[ . 1 . 2]" 1
1448 1 106 LEU HA 1 107 TRP HA . . 4.620 4.699 4.684 4.705 0.085 19 0 "[ . 1 . 2]" 1
1449 1 106 LEU HB3 1 107 TRP H . . 4.180 4.414 4.325 4.544 0.364 9 0 "[ . 1 . 2]" 1
1450 1 106 LEU QD 1 107 TRP H . . 5.280 4.532 4.454 4.595 . 0 0 "[ . 1 . 2]" 1
1451 1 107 TRP H 1 107 TRP HB3 . . 2.890 2.782 2.617 2.912 0.022 6 0 "[ . 1 . 2]" 1
1452 1 107 TRP H 1 107 TRP HD1 . . 5.370 5.287 5.073 5.407 0.037 6 0 "[ . 1 . 2]" 1
1453 1 107 TRP H 1 107 TRP HE3 . . 4.460 4.117 3.897 4.505 0.045 16 0 "[ . 1 . 2]" 1
1454 1 107 TRP HA 1 107 TRP HD1 . . 5.140 4.293 3.959 4.593 . 0 0 "[ . 1 . 2]" 1
1455 1 107 TRP HA 1 107 TRP HE3 . . 3.800 2.982 2.447 3.568 . 0 0 "[ . 1 . 2]" 1
1456 1 107 TRP HB3 1 107 TRP HD1 . . 3.770 2.642 2.580 2.751 . 0 0 "[ . 1 . 2]" 1
1457 1 107 TRP HB3 1 107 TRP HE3 . . 3.390 4.157 4.028 4.233 0.843 17 20 [***-************+***] 1
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