NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415084 |
2d87   |
11142 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2d87
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 2291
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 74.220
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.003 0.003 7 0 "[ . 1 . 2]"
1 9 LYS 0.039 0.028 19 0 "[ . 1 . 2]"
1 10 GLN 0.587 0.081 17 0 "[ . 1 . 2]"
1 11 MET 0.119 0.024 10 0 "[ . 1 . 2]"
1 12 LEU 0.025 0.005 7 0 "[ . 1 . 2]"
1 13 LEU 0.018 0.006 10 0 "[ . 1 . 2]"
1 14 ASP 0.008 0.005 7 0 "[ . 1 . 2]"
1 15 TRP 0.010 0.005 7 0 "[ . 1 . 2]"
1 16 CYS 0.073 0.030 5 0 "[ . 1 . 2]"
1 17 ARG 0.062 0.030 5 0 "[ . 1 . 2]"
1 18 ALA 0.076 0.040 16 0 "[ . 1 . 2]"
1 19 LYS 0.209 0.065 16 0 "[ . 1 . 2]"
1 20 THR 0.015 0.011 5 0 "[ . 1 . 2]"
1 21 ARG 0.086 0.041 13 0 "[ . 1 . 2]"
1 22 GLY 0.071 0.041 13 0 "[ . 1 . 2]"
1 23 TYR 0.059 0.019 8 0 "[ . 1 . 2]"
1 24 GLU 0.068 0.019 8 0 "[ . 1 . 2]"
1 25 HIS 0.158 0.071 19 0 "[ . 1 . 2]"
1 26 VAL 0.184 0.071 19 0 "[ . 1 . 2]"
1 27 ASP 0.018 0.009 9 0 "[ . 1 . 2]"
1 28 ILE 0.001 0.000 4 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 11 0 "[ . 1 . 2]"
1 30 ASN 0.007 0.006 19 0 "[ . 1 . 2]"
1 31 PHE 0.002 0.002 19 0 "[ . 1 . 2]"
1 32 SER 0.006 0.006 19 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 14 0 "[ . 1 . 2]"
1 34 SER 0.001 0.001 19 0 "[ . 1 . 2]"
1 35 TRP 0.010 0.010 1 0 "[ . 1 . 2]"
1 36 SER 0.007 0.006 5 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.008 0.004 20 0 "[ . 1 . 2]"
1 39 MET 0.005 0.003 18 0 "[ . 1 . 2]"
1 40 ALA 0.002 0.002 16 0 "[ . 1 . 2]"
1 41 PHE 0.001 0.001 5 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.009 0.004 16 0 "[ . 1 . 2]"
1 44 LEU 0.018 0.007 18 0 "[ . 1 . 2]"
1 45 VAL 0.032 0.007 4 0 "[ . 1 . 2]"
1 46 HIS 0.022 0.015 4 0 "[ . 1 . 2]"
1 47 ASN 0.019 0.007 4 0 "[ . 1 . 2]"
1 48 PHE 0.025 0.015 4 0 "[ . 1 . 2]"
1 49 PHE 0.655 0.042 2 0 "[ . 1 . 2]"
1 50 PRO 0.643 0.042 2 0 "[ . 1 . 2]"
1 51 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 52 ALA 0.009 0.004 4 0 "[ . 1 . 2]"
1 53 PHE 0.025 0.006 20 0 "[ . 1 . 2]"
1 54 ASP 0.003 0.003 4 0 "[ . 1 . 2]"
1 55 TYR 0.040 0.021 18 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 18 0 "[ . 1 . 2]"
1 57 GLN 0.001 0.001 17 0 "[ . 1 . 2]"
1 58 LEU 0.001 0.001 17 0 "[ . 1 . 2]"
1 59 SER 0.011 0.003 19 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.040 0.014 19 0 "[ . 1 . 2]"
1 62 ASN 0.063 0.014 19 0 "[ . 1 . 2]"
1 63 ARG 0.021 0.006 19 0 "[ . 1 . 2]"
1 64 ARG 0.303 0.076 15 0 "[ . 1 . 2]"
1 65 GLN 0.298 0.032 12 0 "[ . 1 . 2]"
1 66 ASN 0.047 0.008 6 0 "[ . 1 . 2]"
1 67 PHE 0.024 0.005 4 0 "[ . 1 . 2]"
1 68 GLU 0.005 0.003 16 0 "[ . 1 . 2]"
1 69 VAL 0.009 0.005 3 0 "[ . 1 . 2]"
1 70 ALA 0.002 0.002 11 0 "[ . 1 . 2]"
1 71 PHE 0.009 0.003 16 0 "[ . 1 . 2]"
1 72 SER 0.026 0.008 17 0 "[ . 1 . 2]"
1 73 SER 0.007 0.003 7 0 "[ . 1 . 2]"
1 74 ALA 0.017 0.006 5 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.001 0.001 16 0 "[ . 1 . 2]"
1 77 HIS 0.009 0.004 4 0 "[ . 1 . 2]"
1 78 ALA 0.101 0.014 10 0 "[ . 1 . 2]"
1 79 ASP 0.075 0.014 10 0 "[ . 1 . 2]"
1 80 CYS 0.088 0.049 5 0 "[ . 1 . 2]"
1 81 PRO 0.011 0.005 11 0 "[ . 1 . 2]"
1 82 GLN 0.111 0.030 17 0 "[ . 1 . 2]"
1 83 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 84 LEU 0.002 0.001 4 0 "[ . 1 . 2]"
1 85 ASP 0.025 0.009 13 0 "[ . 1 . 2]"
1 86 THR 0.029 0.007 9 0 "[ . 1 . 2]"
1 87 GLU 0.009 0.002 17 0 "[ . 1 . 2]"
1 88 ASP 0.004 0.002 15 0 "[ . 1 . 2]"
1 89 MET 0.005 0.002 15 0 "[ . 1 . 2]"
1 90 VAL 0.026 0.005 15 0 "[ . 1 . 2]"
1 91 ARG 0.015 0.005 15 0 "[ . 1 . 2]"
1 92 LEU 0.012 0.007 1 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.007 0.006 5 0 "[ . 1 . 2]"
1 95 PRO 0.012 0.007 1 0 "[ . 1 . 2]"
1 96 ASP 0.030 0.012 19 0 "[ . 1 . 2]"
1 97 TRP 0.030 0.014 7 0 "[ . 1 . 2]"
1 98 LYS 0.025 0.014 7 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 100 VAL 0.005 0.005 17 0 "[ . 1 . 2]"
1 101 TYR 0.010 0.004 20 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 4 0 "[ . 1 . 2]"
1 103 TYR 0.014 0.006 5 0 "[ . 1 . 2]"
1 104 ILE 0.011 0.005 17 0 "[ . 1 . 2]"
1 105 GLN 0.129 0.102 8 0 "[ . 1 . 2]"
1 106 GLU 0.028 0.027 8 0 "[ . 1 . 2]"
1 107 PHE 0.003 0.002 10 0 "[ . 1 . 2]"
1 108 TYR 0.012 0.005 17 0 "[ . 1 . 2]"
1 109 ARG 0.042 0.019 15 0 "[ . 1 . 2]"
1 110 CYS 0.114 0.035 7 0 "[ . 1 . 2]"
1 111 LEU 0.087 0.035 7 0 "[ . 1 . 2]"
1 112 VAL 0.000 0.000 12 0 "[ . 1 . 2]"
1 113 GLN 0.002 0.001 8 0 "[ . 1 . 2]"
1 114 LYS 0.145 0.026 7 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.007 0.003 7 0 "[ . 1 . 2]"
1 117 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 ILE H . . 3.550 2.207 2.110 2.283 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 9 LYS H . . 4.140 3.403 2.958 4.107 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 10 GLN H . . 4.180 3.799 3.514 4.133 . 0 0 "[ . 1 . 2]" 1
4 1 8 ILE H 1 8 ILE HB . . 3.700 2.574 2.387 2.730 . 0 0 "[ . 1 . 2]" 1
5 1 8 ILE H 1 8 ILE MD . . 4.730 2.987 1.877 3.693 . 0 0 "[ . 1 . 2]" 1
6 1 8 ILE H 1 8 ILE HG12 . . 4.180 3.494 1.914 4.141 . 0 0 "[ . 1 . 2]" 1
7 1 8 ILE H 1 8 ILE HG13 . . 4.180 2.810 1.998 3.803 . 0 0 "[ . 1 . 2]" 1
8 1 8 ILE H 1 8 ILE MG . . 4.200 3.790 3.732 3.854 . 0 0 "[ . 1 . 2]" 1
9 1 8 ILE HA 1 8 ILE MD . . 3.960 3.393 2.056 3.941 . 0 0 "[ . 1 . 2]" 1
10 1 8 ILE HA 1 8 ILE HG12 . . 4.190 3.031 2.657 3.605 . 0 0 "[ . 1 . 2]" 1
11 1 8 ILE HA 1 8 ILE QG . . 3.610 2.542 2.195 3.144 . 0 0 "[ . 1 . 2]" 1
12 1 8 ILE HA 1 8 ILE HG13 . . 4.190 2.895 2.220 3.815 . 0 0 "[ . 1 . 2]" 1
13 1 8 ILE HA 1 8 ILE MG . . 3.400 2.315 2.212 2.463 . 0 0 "[ . 1 . 2]" 1
14 1 8 ILE HA 1 10 GLN H . . 3.950 3.654 3.373 3.921 . 0 0 "[ . 1 . 2]" 1
15 1 8 ILE HA 1 11 MET H . . 3.780 3.412 3.058 3.565 . 0 0 "[ . 1 . 2]" 1
16 1 8 ILE HA 1 11 MET QB . . 4.200 3.347 3.001 3.743 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE HA 1 11 MET QG . . 3.470 2.311 1.994 2.531 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE HA 1 12 LEU H . . 4.560 4.116 3.911 4.403 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE HA 1 12 LEU MD2 . . 5.270 5.208 4.995 5.273 0.003 7 0 "[ . 1 . 2]" 1
20 1 8 ILE HA 1 12 LEU HG . . 4.940 4.124 3.896 4.296 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE HB 1 8 ILE MD . . 3.460 2.444 2.107 3.227 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE HB 1 9 LYS H . . 3.870 2.850 2.201 3.569 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE HB 1 101 TYR QE . . 4.440 3.226 2.542 3.798 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE MD 1 8 ILE MG . . 3.190 2.451 1.911 3.163 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE QG 1 8 ILE MG . . 3.140 2.140 1.949 2.399 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE QG 1 9 LYS H . . 5.000 4.114 3.856 4.530 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HG12 1 8 ILE MG . . 3.620 2.358 1.997 3.195 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE HG13 1 8 ILE MG . . 3.620 2.879 2.249 3.180 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE MG 1 9 LYS H . . 4.150 3.679 3.098 4.130 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE MG 1 9 LYS HA . . 4.310 3.750 3.319 4.145 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE MG 1 11 MET ME . . 3.970 3.060 1.939 3.665 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE MG 1 11 MET QG . . 3.870 2.240 1.945 2.819 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE MG 1 12 LEU HG . . 4.020 2.196 1.929 2.575 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE MG 1 101 TYR QE . . 4.340 2.914 2.257 3.644 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE MG 1 105 GLN HE21 . . 5.030 4.057 2.596 4.948 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE MG 1 105 GLN HE22 . . 5.030 3.610 2.476 5.005 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS H 1 9 LYS HB2 . . 3.250 2.315 2.167 2.591 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS H 1 9 LYS HB3 . . 3.250 2.787 2.466 2.993 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS H 1 9 LYS QG . . 4.010 3.909 3.761 4.017 0.007 1 0 "[ . 1 . 2]" 1
40 1 9 LYS HA 1 9 LYS QD . . 4.390 3.691 2.439 4.223 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS HA 1 9 LYS QG . . 3.620 2.337 2.154 2.510 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS HA 1 12 LEU H . . 4.540 3.986 3.689 4.228 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS HA 1 12 LEU QB . . 3.980 2.994 2.566 3.297 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS HA 1 13 LEU H . . 5.370 4.559 4.249 4.928 . 0 0 "[ . 1 . 2]" 1
45 1 9 LYS HA 1 31 PHE QE . . 4.950 4.025 3.658 4.683 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS HA 1 101 TYR QB . . 5.340 4.917 4.365 5.290 . 0 0 "[ . 1 . 2]" 1
47 1 9 LYS HA 1 101 TYR QD . . 4.370 2.958 2.327 3.482 . 0 0 "[ . 1 . 2]" 1
48 1 9 LYS HA 1 101 TYR QE . . 3.460 2.596 2.001 3.395 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS QB 1 9 LYS QE . . 3.660 2.586 1.980 3.648 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS QB 1 10 GLN H . . 3.360 2.920 2.774 3.254 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS QB 1 101 TYR QD . . 4.820 3.935 3.063 4.393 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS QB 1 101 TYR QE . . 4.220 3.486 2.519 4.053 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS HB2 1 9 LYS QD . . 3.550 2.647 2.138 3.476 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HB2 1 9 LYS HE2 . . 4.780 3.974 2.175 4.808 0.028 19 0 "[ . 1 . 2]" 1
55 1 9 LYS HB2 1 9 LYS HE3 . . 4.780 3.699 2.091 4.780 0.000 3 0 "[ . 1 . 2]" 1
56 1 9 LYS HB3 1 9 LYS QD . . 3.550 2.605 2.094 3.441 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HB3 1 9 LYS HE2 . . 4.780 3.731 2.021 4.713 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS HB3 1 9 LYS HE3 . . 4.780 3.360 2.038 4.723 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS HE2 1 9 LYS QG . . 3.880 2.839 2.129 3.457 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS HE3 1 9 LYS QG . . 3.880 2.623 2.117 3.335 . 0 0 "[ . 1 . 2]" 1
61 1 9 LYS QG 1 31 PHE QD . . 4.510 3.495 2.831 4.069 . 0 0 "[ . 1 . 2]" 1
62 1 9 LYS QG 1 31 PHE QE . . 3.950 2.717 1.961 3.256 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS QG 1 101 TYR QE . . 4.050 3.704 3.025 4.053 0.003 1 0 "[ . 1 . 2]" 1
64 1 10 GLN H 1 10 GLN HB2 . . 3.390 2.403 2.174 2.710 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN H 1 10 GLN HB3 . . 3.390 2.934 2.471 3.471 0.081 17 0 "[ . 1 . 2]" 1
66 1 10 GLN H 1 10 GLN QG . . 4.080 3.745 3.043 4.095 0.015 7 0 "[ . 1 . 2]" 1
67 1 10 GLN H 1 11 MET H . . 3.350 2.665 2.359 2.867 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN HA 1 10 GLN HE21 . . 5.220 2.874 1.927 4.205 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLN HA 1 10 GLN QE . . 4.460 2.717 1.908 3.706 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLN HA 1 10 GLN HE22 . . 5.220 3.598 3.069 4.205 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLN HA 1 10 GLN QG . . 3.850 2.663 2.399 2.947 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLN HA 1 13 LEU H . . 3.640 3.444 3.256 3.641 0.001 7 0 "[ . 1 . 2]" 1
73 1 10 GLN HA 1 13 LEU HB2 . . 3.980 3.628 3.111 3.981 0.001 7 0 "[ . 1 . 2]" 1
74 1 10 GLN HA 1 13 LEU HB3 . . 3.930 3.372 3.038 3.621 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLN HA 1 14 ASP H . . 4.250 4.193 3.902 4.251 0.001 18 0 "[ . 1 . 2]" 1
76 1 10 GLN QB 1 11 MET H . . 3.190 2.170 1.901 2.488 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLN QE 1 10 GLN QG . . 3.050 2.165 2.066 2.409 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLN QE 1 13 LEU HB3 . . 4.420 3.421 2.416 4.393 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLN QE 1 13 LEU MD2 . . 3.820 2.858 2.301 3.695 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLN HE21 1 13 LEU HB3 . . 5.090 3.773 2.490 4.905 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLN HE21 1 13 LEU MD2 . . 4.470 3.444 2.708 4.469 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLN HE22 1 10 GLN QG . . 3.720 3.268 3.217 3.378 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLN HE22 1 13 LEU HB3 . . 5.090 4.126 3.266 4.959 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLN HE22 1 13 LEU MD2 . . 4.470 3.179 2.372 4.120 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLN QG 1 11 MET H . . 4.260 3.701 2.852 4.258 . 0 0 "[ . 1 . 2]" 1
86 1 11 MET H 1 11 MET QB . . 3.680 2.221 2.161 2.321 . 0 0 "[ . 1 . 2]" 1
87 1 11 MET H 1 11 MET QG . . 3.040 2.762 2.458 2.988 . 0 0 "[ . 1 . 2]" 1
88 1 11 MET H 1 12 LEU H . . 3.340 2.847 2.601 2.992 . 0 0 "[ . 1 . 2]" 1
89 1 11 MET H 1 13 LEU H . . 4.940 4.615 4.363 4.890 . 0 0 "[ . 1 . 2]" 1
90 1 11 MET H 1 14 ASP H . . 5.500 4.919 4.708 5.144 . 0 0 "[ . 1 . 2]" 1
91 1 11 MET HA 1 11 MET QG . . 3.430 3.360 3.266 3.454 0.024 10 0 "[ . 1 . 2]" 1
92 1 11 MET HA 1 13 LEU H . . 5.500 4.689 4.434 5.103 . 0 0 "[ . 1 . 2]" 1
93 1 11 MET HA 1 14 ASP H . . 4.220 3.632 3.436 3.960 . 0 0 "[ . 1 . 2]" 1
94 1 11 MET HA 1 14 ASP HB2 . . 4.110 3.265 2.457 3.934 . 0 0 "[ . 1 . 2]" 1
95 1 11 MET HA 1 14 ASP QB . . 3.530 2.704 2.429 3.096 . 0 0 "[ . 1 . 2]" 1
96 1 11 MET HA 1 14 ASP HB3 . . 4.110 3.300 2.596 4.115 0.005 7 0 "[ . 1 . 2]" 1
97 1 11 MET HA 1 15 TRP H . . 4.660 4.004 3.804 4.417 . 0 0 "[ . 1 . 2]" 1
98 1 11 MET QB 1 11 MET ME . . 3.580 2.844 2.291 3.580 . 9 0 "[ . 1 . 2]" 1
99 1 11 MET HB2 1 11 MET ME . . 4.100 2.961 2.323 4.003 . 0 0 "[ . 1 . 2]" 1
100 1 11 MET HB2 1 12 LEU H . . 4.710 4.062 3.965 4.264 . 0 0 "[ . 1 . 2]" 1
101 1 11 MET HB3 1 11 MET ME . . 4.100 3.764 3.447 4.034 . 0 0 "[ . 1 . 2]" 1
102 1 11 MET HB3 1 12 LEU H . . 4.710 3.788 3.661 4.012 . 0 0 "[ . 1 . 2]" 1
103 1 11 MET ME 1 11 MET QG . . 3.420 2.135 1.979 2.268 . 0 0 "[ . 1 . 2]" 1
104 1 11 MET ME 1 12 LEU HG . . 4.350 3.838 3.042 4.272 . 0 0 "[ . 1 . 2]" 1
105 1 11 MET QG 1 12 LEU H . . 3.430 2.168 1.902 2.615 . 0 0 "[ . 1 . 2]" 1
106 1 11 MET QG 1 12 LEU HA . . 4.540 3.165 2.849 3.511 . 0 0 "[ . 1 . 2]" 1
107 1 12 LEU H 1 12 LEU QB . . 3.130 2.311 2.218 2.389 . 0 0 "[ . 1 . 2]" 1
108 1 12 LEU H 1 12 LEU MD1 . . 4.650 3.617 3.393 3.847 . 0 0 "[ . 1 . 2]" 1
109 1 12 LEU H 1 12 LEU MD2 . . 4.500 3.664 3.514 3.816 . 0 0 "[ . 1 . 2]" 1
110 1 12 LEU H 1 12 LEU HG . . 3.900 2.546 2.347 2.788 . 0 0 "[ . 1 . 2]" 1
111 1 12 LEU H 1 13 LEU H . . 3.550 2.719 2.577 2.936 . 0 0 "[ . 1 . 2]" 1
112 1 12 LEU H 1 15 TRP H . . 4.830 4.593 4.475 4.738 . 0 0 "[ . 1 . 2]" 1
113 1 12 LEU HA 1 12 LEU MD1 . . 4.010 3.859 3.805 3.894 . 0 0 "[ . 1 . 2]" 1
114 1 12 LEU HA 1 12 LEU MD2 . . 3.470 2.090 1.970 2.253 . 0 0 "[ . 1 . 2]" 1
115 1 12 LEU HA 1 15 TRP H . . 3.640 3.529 3.335 3.645 0.005 7 0 "[ . 1 . 2]" 1
116 1 12 LEU HA 1 15 TRP HB2 . . 3.940 3.789 3.575 3.938 . 0 0 "[ . 1 . 2]" 1
117 1 12 LEU HA 1 15 TRP HB3 . . 3.690 2.656 2.445 2.815 . 0 0 "[ . 1 . 2]" 1
118 1 12 LEU HA 1 15 TRP HE3 . . 4.800 3.612 3.347 3.846 . 0 0 "[ . 1 . 2]" 1
119 1 12 LEU HA 1 16 CYS H . . 4.110 3.812 3.623 4.115 0.005 7 0 "[ . 1 . 2]" 1
120 1 12 LEU QB 1 12 LEU MD1 . . 3.260 2.061 2.001 2.100 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU QB 1 12 LEU MD2 . . 3.270 2.242 2.152 2.291 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU QB 1 13 LEU H . . 3.500 2.380 2.133 2.538 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU QB 1 13 LEU HA . . 4.790 3.808 3.730 3.867 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU QB 1 31 PHE QE . . 4.640 3.351 3.114 3.485 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU QB 1 31 PHE HZ . . 3.850 2.622 2.421 2.759 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU QB 1 101 TYR QE . . 4.510 4.187 3.961 4.511 0.001 18 0 "[ . 1 . 2]" 1
127 1 12 LEU QB 1 104 ILE MG . . 3.760 2.632 2.252 3.186 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU MD1 1 31 PHE HZ . . 4.220 3.915 3.683 4.162 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU MD1 1 101 TYR QD . . 4.030 2.407 2.125 2.904 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU MD1 1 101 TYR QE . . 3.790 2.009 1.906 2.129 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU MD1 1 104 ILE HB . . 3.650 3.198 2.291 3.633 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU MD1 1 104 ILE MG . . 3.450 2.906 2.188 3.200 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU MD1 1 105 GLN H . . 4.580 3.893 3.274 4.283 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU MD1 1 105 GLN HA . . 3.960 3.812 3.535 3.943 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU MD1 1 105 GLN QB . . 3.270 2.986 2.587 3.208 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU MD2 1 15 TRP HB2 . . 5.500 4.733 4.543 5.037 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU MD2 1 15 TRP HE3 . . 4.100 3.614 3.175 3.938 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU MD2 1 101 TYR QE . . 4.470 4.419 4.312 4.474 0.004 20 0 "[ . 1 . 2]" 1
139 1 12 LEU MD2 1 104 ILE MG . . 3.300 2.100 1.854 2.437 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU MD2 1 105 GLN H . . 4.650 4.124 3.603 4.650 0.000 11 0 "[ . 1 . 2]" 1
141 1 12 LEU MD2 1 105 GLN HA . . 3.650 3.100 2.793 3.423 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU MD2 1 108 TYR HB2 . . 4.490 3.726 3.526 4.068 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU MD2 1 108 TYR HB3 . . 4.490 4.002 3.620 4.354 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU MD2 1 108 TYR QD . . 4.120 3.679 2.837 4.122 0.002 5 0 "[ . 1 . 2]" 1
145 1 12 LEU HG 1 31 PHE HZ . . 5.460 5.381 5.100 5.462 0.002 19 0 "[ . 1 . 2]" 1
146 1 12 LEU HG 1 104 ILE MG . . 4.600 4.383 4.139 4.598 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU H 1 13 LEU HB2 . . 3.290 2.332 2.179 2.519 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU H 1 13 LEU HB3 . . 3.320 2.702 2.502 2.888 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU H 1 13 LEU MD1 . . 4.190 3.858 3.546 4.083 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU H 1 13 LEU MD2 . . 4.570 4.242 4.192 4.293 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU H 1 13 LEU HG . . 4.710 4.509 4.458 4.549 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU H 1 16 CYS H . . 4.950 4.825 4.683 4.946 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU H 1 31 PHE QE . . 4.290 3.705 3.173 4.157 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU H 1 31 PHE HZ . . 3.970 2.767 2.326 3.203 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU HA 1 13 LEU MD1 . . 3.300 2.307 1.985 2.644 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU HA 1 13 LEU MD2 . . 4.130 3.877 3.829 3.931 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU HA 1 13 LEU HG . . 4.220 2.780 2.583 2.980 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU HA 1 16 CYS H . . 3.830 3.748 3.569 3.830 0.000 20 0 "[ . 1 . 2]" 1
159 1 13 LEU HA 1 16 CYS QB . . 3.830 3.099 2.588 3.836 0.006 10 0 "[ . 1 . 2]" 1
160 1 13 LEU HA 1 17 ARG H . . 4.560 4.339 4.071 4.560 0.000 7 0 "[ . 1 . 2]" 1
161 1 13 LEU HA 1 28 ILE MG . . 4.500 3.122 2.893 3.420 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU HA 1 31 PHE QE . . 4.900 3.364 2.844 3.741 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU HA 1 31 PHE HZ . . 3.970 2.550 2.105 3.050 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU HB2 1 13 LEU MD1 . . 3.590 2.191 2.001 2.334 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU HB2 1 13 LEU MD2 . . 3.580 2.555 2.441 2.650 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HB2 1 14 ASP H . . 4.040 3.703 3.520 3.907 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HB2 1 31 PHE QE . . 4.370 2.773 2.229 3.490 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU HB2 1 31 PHE HZ . . 4.590 2.628 2.197 3.138 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU HB3 1 13 LEU MD2 . . 3.470 2.129 2.001 2.261 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU HB3 1 14 ASP H . . 3.580 2.526 2.228 2.893 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU HB3 1 14 ASP HA . . 4.360 4.091 3.945 4.275 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU HB3 1 31 PHE QE . . 5.140 4.344 3.891 5.036 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HB3 1 31 PHE HZ . . 4.750 4.112 3.658 4.672 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU MD1 1 28 ILE MG . . 3.100 1.988 1.729 2.407 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU MD1 1 30 ASN H . . 3.930 3.295 2.821 3.548 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU MD1 1 30 ASN HA . . 3.860 2.184 1.935 2.625 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU MD1 1 31 PHE QD . . 4.600 3.378 2.962 3.759 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU MD1 1 31 PHE QE . . 4.190 2.664 2.205 3.139 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU MD1 1 31 PHE HZ . . 4.250 2.690 2.353 3.202 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU MD1 1 35 TRP HE1 . . 4.490 3.798 3.296 4.277 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU MD1 1 35 TRP HZ2 . . 4.270 3.786 3.380 4.203 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU MD2 1 29 GLN HA . . 4.160 3.206 2.837 3.556 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU MD2 1 30 ASN H . . 4.840 4.418 4.183 4.705 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU MD2 1 30 ASN HA . . 3.890 3.063 2.543 3.569 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU HG 1 14 ASP H . . 4.700 4.140 3.587 4.576 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU HG 1 17 ARG HD2 . . 4.870 3.153 2.250 4.874 0.004 7 0 "[ . 1 . 2]" 1
187 1 13 LEU HG 1 17 ARG QD . . 4.260 2.956 2.184 3.582 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU HG 1 17 ARG HD3 . . 4.870 3.889 2.956 4.868 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU HG 1 28 ILE MG . . 4.090 2.931 2.528 3.725 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU HG 1 29 GLN HA . . 4.430 4.254 3.520 4.430 . 11 0 "[ . 1 . 2]" 1
191 1 14 ASP H 1 14 ASP HB2 . . 3.720 2.354 2.190 2.628 . 0 0 "[ . 1 . 2]" 1
192 1 14 ASP H 1 14 ASP QB . . 3.140 2.224 2.148 2.286 . 0 0 "[ . 1 . 2]" 1
193 1 14 ASP H 1 14 ASP HB3 . . 3.720 2.967 2.508 3.565 . 0 0 "[ . 1 . 2]" 1
194 1 14 ASP H 1 16 CYS H . . 5.310 4.424 4.216 4.640 . 0 0 "[ . 1 . 2]" 1
195 1 14 ASP HA 1 17 ARG H . . 4.320 3.933 3.524 4.221 . 0 0 "[ . 1 . 2]" 1
196 1 14 ASP HA 1 17 ARG QB . . 4.070 3.260 2.967 3.650 . 0 0 "[ . 1 . 2]" 1
197 1 14 ASP HA 1 17 ARG HD2 . . 4.060 3.807 2.142 4.061 0.001 7 0 "[ . 1 . 2]" 1
198 1 14 ASP HA 1 17 ARG QD . . 3.540 2.553 2.078 3.189 . 0 0 "[ . 1 . 2]" 1
199 1 14 ASP HA 1 17 ARG HD3 . . 4.060 2.664 2.096 3.401 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASP HA 1 17 ARG QG . . 4.650 3.983 2.205 4.462 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASP QB 1 15 TRP H . . 3.510 2.709 2.418 3.094 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASP HB2 1 15 TRP H . . 4.070 3.533 2.782 4.072 0.002 10 0 "[ . 1 . 2]" 1
203 1 14 ASP HB3 1 15 TRP H . . 4.070 2.994 2.448 3.823 . 0 0 "[ . 1 . 2]" 1
204 1 15 TRP H 1 15 TRP HB2 . . 3.230 2.734 2.616 2.897 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP H 1 15 TRP HB3 . . 3.490 2.380 2.306 2.452 . 0 0 "[ . 1 . 2]" 1
206 1 15 TRP H 1 15 TRP HE3 . . 4.590 4.378 4.092 4.581 . 0 0 "[ . 1 . 2]" 1
207 1 15 TRP H 1 16 CYS H . . 3.480 2.691 2.482 2.819 . 0 0 "[ . 1 . 2]" 1
208 1 15 TRP H 1 17 ARG H . . 4.430 4.179 3.924 4.331 . 0 0 "[ . 1 . 2]" 1
209 1 15 TRP HA 1 15 TRP HD1 . . 3.930 3.124 2.977 3.348 . 0 0 "[ . 1 . 2]" 1
210 1 15 TRP HA 1 15 TRP HE3 . . 4.880 4.707 4.565 4.801 . 0 0 "[ . 1 . 2]" 1
211 1 15 TRP HA 1 17 ARG H . . 4.640 4.360 4.103 4.501 . 0 0 "[ . 1 . 2]" 1
212 1 15 TRP HA 1 18 ALA H . . 3.960 3.456 3.249 3.731 . 0 0 "[ . 1 . 2]" 1
213 1 15 TRP HA 1 18 ALA MB . . 3.480 2.725 2.452 3.173 . 0 0 "[ . 1 . 2]" 1
214 1 15 TRP HA 1 19 LYS H . . 4.620 4.475 4.236 4.621 0.001 19 0 "[ . 1 . 2]" 1
215 1 15 TRP HB2 1 16 CYS H . . 4.000 3.814 3.702 3.998 . 0 0 "[ . 1 . 2]" 1
216 1 15 TRP HB3 1 16 CYS H . . 4.040 2.389 2.219 2.669 . 0 0 "[ . 1 . 2]" 1
217 1 15 TRP HB3 1 16 CYS HA . . 4.540 4.309 4.216 4.439 . 0 0 "[ . 1 . 2]" 1
218 1 15 TRP HD1 1 19 LYS HE2 . . 4.890 4.408 3.423 4.813 . 0 0 "[ . 1 . 2]" 1
219 1 15 TRP HD1 1 19 LYS QE . . 4.150 3.385 3.213 3.555 . 0 0 "[ . 1 . 2]" 1
220 1 15 TRP HD1 1 19 LYS HE3 . . 4.890 3.641 3.266 4.887 . 0 0 "[ . 1 . 2]" 1
221 1 15 TRP HD1 1 19 LYS HG2 . . 4.920 4.270 3.929 4.514 . 0 0 "[ . 1 . 2]" 1
222 1 15 TRP HD1 1 108 TYR QE . . 4.570 4.111 3.504 4.561 . 0 0 "[ . 1 . 2]" 1
223 1 15 TRP HE1 1 19 LYS HD2 . . 4.280 4.059 3.680 4.275 . 0 0 "[ . 1 . 2]" 1
224 1 15 TRP HE1 1 19 LYS HD3 . . 5.130 4.851 4.692 5.022 . 0 0 "[ . 1 . 2]" 1
225 1 15 TRP HE1 1 19 LYS HE2 . . 4.570 3.489 2.020 3.938 . 0 0 "[ . 1 . 2]" 1
226 1 15 TRP HE1 1 19 LYS QE . . 3.850 2.068 1.891 2.425 . 0 0 "[ . 1 . 2]" 1
227 1 15 TRP HE1 1 19 LYS HE3 . . 4.570 2.255 1.900 3.872 . 0 0 "[ . 1 . 2]" 1
228 1 15 TRP HE1 1 19 LYS HG2 . . 4.720 3.679 3.428 3.872 . 0 0 "[ . 1 . 2]" 1
229 1 15 TRP HE1 1 19 LYS HG3 . . 4.530 3.442 3.064 3.693 . 0 0 "[ . 1 . 2]" 1
230 1 15 TRP HE1 1 108 TYR QE . . 4.240 3.440 2.634 3.988 . 0 0 "[ . 1 . 2]" 1
231 1 15 TRP HE1 1 117 VAL MG2 . . 3.680 2.700 2.267 3.091 . 0 0 "[ . 1 . 2]" 1
232 1 15 TRP HE3 1 16 CYS H . . 3.840 2.440 2.090 2.865 . 0 0 "[ . 1 . 2]" 1
233 1 15 TRP HE3 1 16 CYS HA . . 4.270 2.783 2.430 3.069 . 0 0 "[ . 1 . 2]" 1
234 1 15 TRP HE3 1 16 CYS QB . . 4.460 3.468 2.433 4.037 . 0 0 "[ . 1 . 2]" 1
235 1 15 TRP HE3 1 44 LEU MD1 . . 4.450 3.763 3.459 4.039 . 0 0 "[ . 1 . 2]" 1
236 1 15 TRP HE3 1 104 ILE MG . . 4.250 3.511 3.125 3.852 . 0 0 "[ . 1 . 2]" 1
237 1 15 TRP HH2 1 44 LEU MD1 . . 4.300 3.262 2.890 3.778 . 0 0 "[ . 1 . 2]" 1
238 1 15 TRP HH2 1 111 LEU MD1 . . 3.640 2.582 2.233 3.020 . 0 0 "[ . 1 . 2]" 1
239 1 15 TRP HH2 1 117 VAL MG2 . . 4.780 4.093 3.439 4.454 . 0 0 "[ . 1 . 2]" 1
240 1 15 TRP HZ2 1 19 LYS HD3 . . 5.390 5.105 4.721 5.384 . 0 0 "[ . 1 . 2]" 1
241 1 15 TRP HZ2 1 19 LYS QE . . 4.000 3.547 3.006 4.001 0.001 19 0 "[ . 1 . 2]" 1
242 1 15 TRP HZ2 1 19 LYS HG2 . . 4.600 4.245 3.935 4.477 . 0 0 "[ . 1 . 2]" 1
243 1 15 TRP HZ2 1 19 LYS HG3 . . 4.000 2.821 2.529 3.111 . 0 0 "[ . 1 . 2]" 1
244 1 15 TRP HZ2 1 111 LEU MD1 . . 3.310 2.843 2.434 3.225 . 0 0 "[ . 1 . 2]" 1
245 1 15 TRP HZ2 1 117 VAL MG2 . . 3.300 2.403 1.857 2.765 . 0 0 "[ . 1 . 2]" 1
246 1 15 TRP HZ3 1 44 LEU MD1 . . 3.430 2.650 2.057 3.133 . 0 0 "[ . 1 . 2]" 1
247 1 15 TRP HZ3 1 44 LEU MD2 . . 3.620 2.989 2.415 3.464 . 0 0 "[ . 1 . 2]" 1
248 1 15 TRP HZ3 1 44 LEU HG . . 4.750 4.306 3.940 4.626 . 0 0 "[ . 1 . 2]" 1
249 1 15 TRP HZ3 1 104 ILE MG . . 3.570 2.920 2.522 3.398 . 0 0 "[ . 1 . 2]" 1
250 1 16 CYS H 1 16 CYS HB2 . . 3.890 2.783 2.195 3.611 . 0 0 "[ . 1 . 2]" 1
251 1 16 CYS H 1 16 CYS QB . . 3.010 2.467 2.135 2.613 . 0 0 "[ . 1 . 2]" 1
252 1 16 CYS H 1 16 CYS HB3 . . 3.890 3.299 2.503 3.616 . 0 0 "[ . 1 . 2]" 1
253 1 16 CYS H 1 17 ARG H . . 3.700 2.959 2.748 3.080 . 0 0 "[ . 1 . 2]" 1
254 1 16 CYS H 1 18 ALA H . . 4.740 4.540 4.159 4.727 . 0 0 "[ . 1 . 2]" 1
255 1 16 CYS HA 1 18 ALA MB . . 5.500 4.970 4.722 5.128 . 0 0 "[ . 1 . 2]" 1
256 1 16 CYS HA 1 19 LYS H . . 4.330 3.732 3.410 4.046 . 0 0 "[ . 1 . 2]" 1
257 1 16 CYS HA 1 19 LYS QB . . 4.270 3.200 2.723 3.607 . 0 0 "[ . 1 . 2]" 1
258 1 16 CYS HA 1 19 LYS HG2 . . 4.640 4.116 3.851 4.386 . 0 0 "[ . 1 . 2]" 1
259 1 16 CYS HA 1 28 ILE MD . . 4.460 3.801 3.455 4.063 . 0 0 "[ . 1 . 2]" 1
260 1 16 CYS HA 1 44 LEU MD1 . . 3.630 2.425 2.193 2.707 . 0 0 "[ . 1 . 2]" 1
261 1 16 CYS QB 1 17 ARG H . . 3.230 2.681 2.345 3.260 0.030 5 0 "[ . 1 . 2]" 1
262 1 16 CYS QB 1 28 ILE MG . . 4.530 2.770 2.181 3.427 . 0 0 "[ . 1 . 2]" 1
263 1 16 CYS QB 1 35 TRP HH2 . . 4.120 3.044 2.419 3.875 . 0 0 "[ . 1 . 2]" 1
264 1 16 CYS QB 1 44 LEU MD1 . . 4.540 2.660 2.177 3.632 . 0 0 "[ . 1 . 2]" 1
265 1 16 CYS HB2 1 28 ILE MD . . 3.550 2.637 1.965 3.492 . 0 0 "[ . 1 . 2]" 1
266 1 16 CYS HB2 1 35 TRP HH2 . . 4.860 4.015 2.852 4.722 . 0 0 "[ . 1 . 2]" 1
267 1 16 CYS HB2 1 35 TRP HZ2 . . 4.280 3.985 3.409 4.276 . 0 0 "[ . 1 . 2]" 1
268 1 16 CYS HB3 1 28 ILE MD . . 3.550 2.341 1.791 3.516 . 0 0 "[ . 1 . 2]" 1
269 1 16 CYS HB3 1 35 TRP HH2 . . 4.860 3.277 2.455 4.558 . 0 0 "[ . 1 . 2]" 1
270 1 16 CYS HB3 1 35 TRP HZ2 . . 4.280 3.770 3.356 4.268 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG H 1 17 ARG QB . . 3.210 2.378 2.221 2.709 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG H 1 17 ARG HD2 . . 4.710 4.267 3.338 4.571 . 0 0 "[ . 1 . 2]" 1
273 1 17 ARG H 1 17 ARG HD3 . . 4.710 3.683 3.362 4.343 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG H 1 17 ARG QG . . 3.380 2.366 1.855 2.764 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG H 1 18 ALA H . . 3.380 2.826 2.694 3.049 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG H 1 18 ALA MB . . 4.730 4.372 4.276 4.594 . 0 0 "[ . 1 . 2]" 1
277 1 17 ARG H 1 20 THR HB . . 5.080 4.878 4.622 5.070 . 0 0 "[ . 1 . 2]" 1
278 1 17 ARG H 1 28 ILE HB . . 4.990 4.147 3.826 4.377 . 0 0 "[ . 1 . 2]" 1
279 1 17 ARG H 1 28 ILE MD . . 4.600 3.391 2.786 3.908 . 0 0 "[ . 1 . 2]" 1
280 1 17 ARG H 1 28 ILE MG . . 4.570 4.025 3.577 4.271 . 0 0 "[ . 1 . 2]" 1
281 1 17 ARG HA 1 17 ARG HD2 . . 4.940 4.735 4.190 4.908 . 0 0 "[ . 1 . 2]" 1
282 1 17 ARG HA 1 17 ARG QD . . 4.270 4.100 3.948 4.211 . 0 0 "[ . 1 . 2]" 1
283 1 17 ARG HA 1 17 ARG HD3 . . 4.940 4.505 4.383 4.824 . 0 0 "[ . 1 . 2]" 1
284 1 17 ARG HA 1 17 ARG QG . . 3.470 2.414 2.313 2.610 . 0 0 "[ . 1 . 2]" 1
285 1 17 ARG HA 1 20 THR H . . 4.270 3.178 2.909 3.628 . 0 0 "[ . 1 . 2]" 1
286 1 17 ARG HA 1 20 THR HB . . 3.540 2.623 2.413 2.881 . 0 0 "[ . 1 . 2]" 1
287 1 17 ARG HA 1 20 THR MG . . 4.430 4.110 3.852 4.272 . 0 0 "[ . 1 . 2]" 1
288 1 17 ARG HA 1 28 ILE H . . 4.850 4.569 4.267 4.787 . 0 0 "[ . 1 . 2]" 1
289 1 17 ARG HA 1 28 ILE HB . . 4.070 3.586 3.069 3.964 . 0 0 "[ . 1 . 2]" 1
290 1 17 ARG HA 1 28 ILE MD . . 3.440 2.594 2.026 3.005 . 0 0 "[ . 1 . 2]" 1
291 1 17 ARG QB 1 17 ARG HD2 . . 3.640 3.169 2.204 3.291 . 0 0 "[ . 1 . 2]" 1
292 1 17 ARG QB 1 17 ARG QD . . 3.190 2.134 2.036 2.253 . 0 0 "[ . 1 . 2]" 1
293 1 17 ARG QB 1 17 ARG HD3 . . 3.640 2.221 2.058 3.263 . 0 0 "[ . 1 . 2]" 1
294 1 17 ARG QB 1 18 ALA H . . 3.370 2.383 2.160 2.704 . 0 0 "[ . 1 . 2]" 1
295 1 17 ARG QB 1 18 ALA HA . . 3.970 3.790 3.746 3.844 . 0 0 "[ . 1 . 2]" 1
296 1 17 ARG QB 1 18 ALA MB . . 4.400 3.783 3.697 3.886 . 0 0 "[ . 1 . 2]" 1
297 1 17 ARG QB 1 20 THR H . . 5.060 4.523 4.307 4.967 . 0 0 "[ . 1 . 2]" 1
298 1 17 ARG QB 1 28 ILE HB . . 4.490 4.233 4.001 4.490 0.000 4 0 "[ . 1 . 2]" 1
299 1 17 ARG HD2 1 28 ILE HB . . 4.780 3.698 3.218 4.337 . 0 0 "[ . 1 . 2]" 1
300 1 17 ARG HD3 1 28 ILE HB . . 4.780 4.589 3.738 4.761 . 0 0 "[ . 1 . 2]" 1
301 1 17 ARG QG 1 18 ALA H . . 4.360 4.118 3.677 4.316 . 0 0 "[ . 1 . 2]" 1
302 1 17 ARG QG 1 28 ILE H . . 4.240 3.218 2.962 4.075 . 0 0 "[ . 1 . 2]" 1
303 1 17 ARG QG 1 28 ILE HB . . 4.010 2.183 1.925 2.358 . 0 0 "[ . 1 . 2]" 1
304 1 17 ARG QG 1 28 ILE MG . . 3.910 2.962 2.659 3.255 . 0 0 "[ . 1 . 2]" 1
305 1 18 ALA H 1 18 ALA MB . . 2.880 2.149 2.039 2.230 . 0 0 "[ . 1 . 2]" 1
306 1 18 ALA H 1 20 THR H . . 4.650 4.029 3.836 4.357 . 0 0 "[ . 1 . 2]" 1
307 1 18 ALA HA 1 20 THR H . . 4.870 4.342 3.748 4.824 . 0 0 "[ . 1 . 2]" 1
308 1 18 ALA HA 1 21 ARG H . . 5.110 4.166 3.698 4.596 . 0 0 "[ . 1 . 2]" 1
309 1 18 ALA HA 1 21 ARG QB . . 3.860 3.408 2.446 3.862 0.002 1 0 "[ . 1 . 2]" 1
310 1 18 ALA HA 1 21 ARG QD . . 3.670 2.600 1.954 3.498 . 0 0 "[ . 1 . 2]" 1
311 1 18 ALA HA 1 21 ARG HG2 . . 4.400 3.030 2.110 3.820 . 0 0 "[ . 1 . 2]" 1
312 1 18 ALA HA 1 21 ARG QG . . 3.780 2.281 1.979 3.171 . 0 0 "[ . 1 . 2]" 1
313 1 18 ALA HA 1 21 ARG HG3 . . 4.400 2.957 2.000 4.400 0.000 19 0 "[ . 1 . 2]" 1
314 1 18 ALA MB 1 19 LYS H . . 3.150 2.544 2.315 2.825 . 0 0 "[ . 1 . 2]" 1
315 1 18 ALA MB 1 19 LYS HA . . 4.220 3.822 3.632 3.998 . 0 0 "[ . 1 . 2]" 1
316 1 18 ALA MB 1 19 LYS HE2 . . 4.340 3.401 2.856 4.047 . 0 0 "[ . 1 . 2]" 1
317 1 18 ALA MB 1 19 LYS QE . . 3.580 3.127 2.767 3.620 0.040 16 0 "[ . 1 . 2]" 1
318 1 18 ALA MB 1 19 LYS HE3 . . 4.340 3.835 2.936 4.301 . 0 0 "[ . 1 . 2]" 1
319 1 18 ALA MB 1 19 LYS HG2 . . 4.040 2.884 2.723 3.061 . 0 0 "[ . 1 . 2]" 1
320 1 18 ALA MB 1 20 THR H . . 4.520 4.347 4.125 4.475 . 0 0 "[ . 1 . 2]" 1
321 1 19 LYS H 1 19 LYS QB . . 3.330 2.485 2.420 2.548 . 0 0 "[ . 1 . 2]" 1
322 1 19 LYS H 1 19 LYS HD3 . . 4.320 3.901 3.502 4.169 . 0 0 "[ . 1 . 2]" 1
323 1 19 LYS H 1 19 LYS HE2 . . 5.050 4.469 4.132 5.043 . 0 0 "[ . 1 . 2]" 1
324 1 19 LYS H 1 19 LYS QE . . 4.300 4.006 3.685 4.304 0.004 14 0 "[ . 1 . 2]" 1
325 1 19 LYS H 1 19 LYS HE3 . . 5.050 4.629 3.814 5.053 0.003 14 0 "[ . 1 . 2]" 1
326 1 19 LYS H 1 19 LYS HG2 . . 3.350 2.274 1.971 2.532 . 0 0 "[ . 1 . 2]" 1
327 1 19 LYS H 1 19 LYS HG3 . . 3.910 3.608 3.448 3.793 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS H 1 20 THR H . . 3.400 2.408 2.102 2.655 . 0 0 "[ . 1 . 2]" 1
329 1 19 LYS H 1 20 THR HA . . 5.500 5.082 4.840 5.287 . 0 0 "[ . 1 . 2]" 1
330 1 19 LYS H 1 20 THR HB . . 5.500 4.879 4.470 5.257 . 0 0 "[ . 1 . 2]" 1
331 1 19 LYS H 1 21 ARG H . . 4.410 4.180 3.896 4.410 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS H 1 48 PHE QE . . 5.500 5.401 5.250 5.488 . 0 0 "[ . 1 . 2]" 1
333 1 19 LYS HA 1 19 LYS HD2 . . 3.690 3.529 3.256 3.689 . 0 0 "[ . 1 . 2]" 1
334 1 19 LYS HA 1 19 LYS HD3 . . 3.400 2.076 1.982 2.220 . 0 0 "[ . 1 . 2]" 1
335 1 19 LYS HA 1 19 LYS QE . . 3.810 3.606 3.371 3.875 0.065 16 0 "[ . 1 . 2]" 1
336 1 19 LYS HA 1 21 ARG H . . 4.340 3.745 3.511 4.022 . 0 0 "[ . 1 . 2]" 1
337 1 19 LYS HA 1 47 ASN HD22 . . 4.950 2.869 2.367 3.508 . 0 0 "[ . 1 . 2]" 1
338 1 19 LYS QB 1 20 THR H . . 4.150 2.859 2.433 3.284 . 0 0 "[ . 1 . 2]" 1
339 1 19 LYS QB 1 47 ASN HD22 . . 4.370 3.062 2.625 3.966 . 0 0 "[ . 1 . 2]" 1
340 1 19 LYS QB 1 48 PHE QE . . 4.050 2.420 2.054 2.818 . 0 0 "[ . 1 . 2]" 1
341 1 19 LYS QB 1 48 PHE HZ . . 4.270 3.474 2.951 3.782 . 0 0 "[ . 1 . 2]" 1
342 1 19 LYS HB2 1 20 THR H . . 4.990 2.937 2.473 3.416 . 0 0 "[ . 1 . 2]" 1
343 1 19 LYS HB3 1 20 THR H . . 4.990 3.947 3.618 4.258 . 0 0 "[ . 1 . 2]" 1
344 1 19 LYS HD2 1 47 ASN HD21 . . 5.060 3.139 2.271 4.921 . 0 0 "[ . 1 . 2]" 1
345 1 19 LYS HD2 1 47 ASN HD22 . . 4.280 3.249 2.470 4.022 . 0 0 "[ . 1 . 2]" 1
346 1 19 LYS HD2 1 48 PHE QE . . 4.470 2.567 2.120 3.330 . 0 0 "[ . 1 . 2]" 1
347 1 19 LYS HD2 1 117 VAL MG2 . . 4.360 3.940 3.406 4.358 . 0 0 "[ . 1 . 2]" 1
348 1 19 LYS HD3 1 47 ASN HD21 . . 4.930 3.208 2.273 4.333 . 0 0 "[ . 1 . 2]" 1
349 1 19 LYS HD3 1 47 ASN HD22 . . 4.490 2.601 1.961 3.236 . 0 0 "[ . 1 . 2]" 1
350 1 19 LYS HE2 1 19 LYS HG2 . . 4.050 2.766 2.468 3.455 . 0 0 "[ . 1 . 2]" 1
351 1 19 LYS HE3 1 19 LYS HG2 . . 4.050 2.536 2.180 3.549 . 0 0 "[ . 1 . 2]" 1
352 1 19 LYS HG2 1 20 THR H . . 4.620 4.294 4.126 4.516 . 0 0 "[ . 1 . 2]" 1
353 1 19 LYS HG3 1 48 PHE QE . . 4.160 2.442 2.207 2.763 . 0 0 "[ . 1 . 2]" 1
354 1 20 THR H 1 20 THR HB . . 3.410 2.737 2.550 2.851 . 0 0 "[ . 1 . 2]" 1
355 1 20 THR H 1 20 THR MG . . 3.940 3.845 3.764 3.925 . 0 0 "[ . 1 . 2]" 1
356 1 20 THR H 1 21 ARG HA . . 5.410 4.686 4.300 5.132 . 0 0 "[ . 1 . 2]" 1
357 1 20 THR H 1 21 ARG QB . . 5.240 4.381 3.649 4.764 . 0 0 "[ . 1 . 2]" 1
358 1 20 THR H 1 21 ARG QG . . 4.560 3.846 3.295 4.223 . 0 0 "[ . 1 . 2]" 1
359 1 20 THR H 1 28 ILE MD . . 4.680 3.987 3.535 4.379 . 0 0 "[ . 1 . 2]" 1
360 1 20 THR HA 1 20 THR MG . . 3.000 2.251 2.130 2.336 . 0 0 "[ . 1 . 2]" 1
361 1 20 THR HA 1 21 ARG H . . 3.450 2.968 2.838 3.461 0.011 5 0 "[ . 1 . 2]" 1
362 1 20 THR HA 1 23 TYR H . . 4.630 4.442 4.175 4.632 0.002 8 0 "[ . 1 . 2]" 1
363 1 20 THR HA 1 23 TYR HB2 . . 5.370 4.172 3.745 4.828 . 0 0 "[ . 1 . 2]" 1
364 1 20 THR HA 1 23 TYR QD . . 3.460 2.376 2.049 2.775 . 0 0 "[ . 1 . 2]" 1
365 1 20 THR HA 1 23 TYR QE . . 3.740 2.528 2.173 3.157 . 0 0 "[ . 1 . 2]" 1
366 1 20 THR HA 1 43 ALA MB . . 3.870 3.480 3.071 3.856 . 0 0 "[ . 1 . 2]" 1
367 1 20 THR HA 1 44 LEU H . . 5.420 5.103 4.686 5.408 . 0 0 "[ . 1 . 2]" 1
368 1 20 THR HA 1 47 ASN HB2 . . 5.500 3.848 3.620 4.082 . 0 0 "[ . 1 . 2]" 1
369 1 20 THR HB 1 26 VAL MG1 . . 3.840 3.663 3.278 3.842 0.002 19 0 "[ . 1 . 2]" 1
370 1 20 THR HB 1 28 ILE MD . . 3.430 2.334 1.983 3.021 . 0 0 "[ . 1 . 2]" 1
371 1 20 THR MG 1 21 ARG H . . 4.300 4.168 3.881 4.291 . 0 0 "[ . 1 . 2]" 1
372 1 20 THR MG 1 23 TYR H . . 4.340 3.874 3.545 4.303 . 0 0 "[ . 1 . 2]" 1
373 1 20 THR MG 1 23 TYR HB2 . . 4.250 2.498 2.113 3.212 . 0 0 "[ . 1 . 2]" 1
374 1 20 THR MG 1 23 TYR QD . . 4.020 2.488 2.198 3.206 . 0 0 "[ . 1 . 2]" 1
375 1 20 THR MG 1 23 TYR QE . . 4.630 3.636 3.211 4.225 . 0 0 "[ . 1 . 2]" 1
376 1 20 THR MG 1 26 VAL HB . . 4.700 3.325 2.864 3.674 . 0 0 "[ . 1 . 2]" 1
377 1 20 THR MG 1 26 VAL MG1 . . 3.250 1.855 1.750 2.045 . 0 0 "[ . 1 . 2]" 1
378 1 20 THR MG 1 28 ILE MD . . 3.320 2.519 1.925 2.843 . 0 0 "[ . 1 . 2]" 1
379 1 20 THR MG 1 44 LEU H . . 3.890 3.173 2.365 3.847 . 0 0 "[ . 1 . 2]" 1
380 1 20 THR MG 1 44 LEU HA . . 4.080 3.413 2.790 4.080 . 0 0 "[ . 1 . 2]" 1
381 1 21 ARG H 1 21 ARG HB2 . . 3.690 2.813 2.179 3.689 . 0 0 "[ . 1 . 2]" 1
382 1 21 ARG H 1 21 ARG QB . . 2.930 2.449 2.158 2.885 . 0 0 "[ . 1 . 2]" 1
383 1 21 ARG H 1 21 ARG HB3 . . 3.690 3.265 2.616 3.600 . 0 0 "[ . 1 . 2]" 1
384 1 21 ARG H 1 21 ARG QD . . 4.510 4.126 3.745 4.503 . 0 0 "[ . 1 . 2]" 1
385 1 21 ARG H 1 21 ARG QG . . 2.970 2.508 1.922 2.966 . 0 0 "[ . 1 . 2]" 1
386 1 21 ARG H 1 22 GLY H . . 4.870 4.435 2.399 4.609 . 0 0 "[ . 1 . 2]" 1
387 1 21 ARG H 1 23 TYR H . . 4.970 4.537 4.301 4.972 0.002 6 0 "[ . 1 . 2]" 1
388 1 21 ARG H 1 23 TYR QD . . 4.910 3.675 3.277 4.870 . 0 0 "[ . 1 . 2]" 1
389 1 21 ARG HA 1 21 ARG QD . . 4.470 3.921 2.019 4.464 . 0 0 "[ . 1 . 2]" 1
390 1 21 ARG HA 1 21 ARG QG . . 3.710 2.708 2.179 3.341 . 0 0 "[ . 1 . 2]" 1
391 1 21 ARG HA 1 22 GLY H . . 3.160 2.261 2.144 3.190 0.030 13 0 "[ . 1 . 2]" 1
392 1 21 ARG HA 1 23 TYR H . . 3.990 3.774 3.509 3.971 . 0 0 "[ . 1 . 2]" 1
393 1 21 ARG QB 1 21 ARG QD . . 2.940 2.216 2.052 2.629 . 0 0 "[ . 1 . 2]" 1
394 1 21 ARG QB 1 22 GLY H . . 3.880 3.068 2.626 3.921 0.041 13 0 "[ . 1 . 2]" 1
395 1 21 ARG HB2 1 21 ARG QD . . 3.490 2.632 2.133 3.481 . 0 0 "[ . 1 . 2]" 1
396 1 21 ARG HB2 1 22 GLY H . . 4.650 3.851 2.686 4.546 . 0 0 "[ . 1 . 2]" 1
397 1 21 ARG HB3 1 21 ARG QD . . 3.490 2.475 2.105 2.721 . 0 0 "[ . 1 . 2]" 1
398 1 21 ARG HB3 1 22 GLY H . . 4.650 3.487 2.764 4.364 . 0 0 "[ . 1 . 2]" 1
399 1 21 ARG QG 1 22 GLY H . . 4.310 3.931 3.213 4.305 . 0 0 "[ . 1 . 2]" 1
400 1 22 GLY H 1 23 TYR H . . 3.460 3.004 2.184 3.390 . 0 0 "[ . 1 . 2]" 1
401 1 23 TYR H 1 23 TYR HB2 . . 3.120 2.476 2.353 2.596 . 0 0 "[ . 1 . 2]" 1
402 1 23 TYR H 1 23 TYR HB3 . . 3.900 3.605 3.569 3.703 . 0 0 "[ . 1 . 2]" 1
403 1 23 TYR H 1 23 TYR QD . . 3.250 2.282 1.900 2.840 . 0 0 "[ . 1 . 2]" 1
404 1 23 TYR H 1 23 TYR QE . . 4.920 4.240 3.958 4.725 . 0 0 "[ . 1 . 2]" 1
405 1 23 TYR H 1 24 GLU H . . 4.550 4.496 4.399 4.569 0.019 8 0 "[ . 1 . 2]" 1
406 1 23 TYR H 1 26 VAL HB . . 5.060 4.791 4.340 5.060 0.000 16 0 "[ . 1 . 2]" 1
407 1 23 TYR H 1 26 VAL MG1 . . 5.500 5.019 4.402 5.381 . 0 0 "[ . 1 . 2]" 1
408 1 23 TYR H 1 26 VAL MG2 . . 5.500 5.157 4.802 5.472 . 0 0 "[ . 1 . 2]" 1
409 1 23 TYR HA 1 23 TYR QD . . 4.010 2.913 2.489 3.095 . 0 0 "[ . 1 . 2]" 1
410 1 23 TYR HA 1 23 TYR QE . . 4.850 4.588 4.494 4.762 . 0 0 "[ . 1 . 2]" 1
411 1 23 TYR HA 1 24 GLU H . . 2.800 2.203 2.138 2.537 . 0 0 "[ . 1 . 2]" 1
412 1 23 TYR HA 1 24 GLU HB2 . . 4.620 4.381 4.209 4.490 . 0 0 "[ . 1 . 2]" 1
413 1 23 TYR HA 1 24 GLU HB3 . . 4.860 4.787 4.687 4.867 0.007 19 0 "[ . 1 . 2]" 1
414 1 23 TYR HA 1 55 TYR QE . . 4.380 4.127 3.713 4.381 0.001 18 0 "[ . 1 . 2]" 1
415 1 23 TYR HB2 1 24 GLU H . . 4.460 4.203 3.303 4.462 0.002 7 0 "[ . 1 . 2]" 1
416 1 23 TYR HB2 1 26 VAL HB . . 4.500 2.777 2.373 3.445 . 0 0 "[ . 1 . 2]" 1
417 1 23 TYR HB2 1 26 VAL MG1 . . 4.760 3.129 2.453 3.731 . 0 0 "[ . 1 . 2]" 1
418 1 23 TYR HB2 1 26 VAL MG2 . . 4.090 3.154 2.600 3.632 . 0 0 "[ . 1 . 2]" 1
419 1 23 TYR HB2 1 43 ALA MB . . 3.850 3.121 2.486 3.667 . 0 0 "[ . 1 . 2]" 1
420 1 23 TYR HB3 1 24 GLU H . . 4.150 3.246 2.144 3.677 . 0 0 "[ . 1 . 2]" 1
421 1 23 TYR HB3 1 26 VAL HB . . 4.800 2.979 2.240 4.222 . 0 0 "[ . 1 . 2]" 1
422 1 23 TYR HB3 1 26 VAL MG2 . . 4.020 2.372 2.003 2.813 . 0 0 "[ . 1 . 2]" 1
423 1 23 TYR HB3 1 43 ALA MB . . 3.920 2.854 2.526 3.390 . 0 0 "[ . 1 . 2]" 1
424 1 23 TYR QD 1 24 GLU H . . 4.520 4.019 3.591 4.415 . 0 0 "[ . 1 . 2]" 1
425 1 23 TYR QD 1 26 VAL MG1 . . 5.020 4.156 3.735 4.585 . 0 0 "[ . 1 . 2]" 1
426 1 23 TYR QD 1 26 VAL MG2 . . 5.240 3.654 3.158 4.142 . 0 0 "[ . 1 . 2]" 1
427 1 23 TYR QD 1 43 ALA HA . . 4.540 3.542 3.092 4.237 . 0 0 "[ . 1 . 2]" 1
428 1 23 TYR QD 1 43 ALA MB . . 3.880 2.508 2.269 2.963 . 0 0 "[ . 1 . 2]" 1
429 1 23 TYR QD 1 55 TYR QD . . 4.270 3.559 3.142 3.885 . 0 0 "[ . 1 . 2]" 1
430 1 23 TYR QD 1 55 TYR QE . . 4.530 2.781 2.193 3.264 . 0 0 "[ . 1 . 2]" 1
431 1 23 TYR QE 1 43 ALA HA . . 4.370 2.809 2.290 3.769 . 0 0 "[ . 1 . 2]" 1
432 1 23 TYR QE 1 43 ALA MB . . 4.830 3.110 2.863 3.410 . 0 0 "[ . 1 . 2]" 1
433 1 23 TYR QE 1 46 HIS HB2 . . 4.380 4.091 3.632 4.378 . 0 0 "[ . 1 . 2]" 1
434 1 23 TYR QE 1 46 HIS HB3 . . 3.820 2.912 2.422 3.232 . 0 0 "[ . 1 . 2]" 1
435 1 23 TYR QE 1 47 ASN H . . 4.460 3.918 3.087 4.149 . 0 0 "[ . 1 . 2]" 1
436 1 23 TYR QE 1 47 ASN HA . . 4.310 3.880 3.446 4.176 . 0 0 "[ . 1 . 2]" 1
437 1 23 TYR QE 1 47 ASN HB2 . . 3.600 2.720 2.345 3.037 . 0 0 "[ . 1 . 2]" 1
438 1 23 TYR QE 1 47 ASN HB3 . . 4.470 4.259 3.300 4.472 0.002 4 0 "[ . 1 . 2]" 1
439 1 23 TYR QE 1 55 TYR HB2 . . 4.470 3.618 3.105 3.865 . 0 0 "[ . 1 . 2]" 1
440 1 23 TYR QE 1 55 TYR QB . . 3.870 3.299 2.965 3.642 . 0 0 "[ . 1 . 2]" 1
441 1 23 TYR QE 1 55 TYR HB3 . . 4.470 3.861 3.148 4.451 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLU H 1 24 GLU HB2 . . 3.190 2.519 2.318 2.924 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLU H 1 24 GLU HB3 . . 3.570 2.662 2.551 2.755 . 0 0 "[ . 1 . 2]" 1
444 1 24 GLU H 1 24 GLU HG2 . . 4.750 4.599 4.509 4.755 0.005 8 0 "[ . 1 . 2]" 1
445 1 24 GLU H 1 24 GLU QG . . 4.170 4.031 3.957 4.101 . 0 0 "[ . 1 . 2]" 1
446 1 24 GLU H 1 24 GLU HG3 . . 4.750 4.461 4.352 4.672 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLU H 1 25 HIS H . . 4.680 4.597 4.487 4.635 . 0 0 "[ . 1 . 2]" 1
448 1 24 GLU H 1 26 VAL MG2 . . 4.720 4.107 3.447 4.415 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLU H 1 55 TYR QE . . 4.100 3.801 2.959 4.105 0.005 4 0 "[ . 1 . 2]" 1
450 1 24 GLU HA 1 24 GLU HG2 . . 3.910 3.439 2.922 3.782 . 0 0 "[ . 1 . 2]" 1
451 1 24 GLU HA 1 24 GLU HG3 . . 3.910 2.618 2.316 3.045 . 0 0 "[ . 1 . 2]" 1
452 1 24 GLU HA 1 25 HIS H . . 2.880 2.327 2.235 2.445 . 0 0 "[ . 1 . 2]" 1
453 1 24 GLU HA 1 25 HIS HA . . 4.570 4.459 4.431 4.515 . 0 0 "[ . 1 . 2]" 1
454 1 24 GLU HA 1 26 VAL H . . 3.730 3.415 3.168 3.609 . 0 0 "[ . 1 . 2]" 1
455 1 24 GLU HB2 1 25 HIS H . . 4.200 3.995 3.833 4.120 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLU HB2 1 25 HIS HD2 . . 5.330 5.017 4.274 5.336 0.006 19 0 "[ . 1 . 2]" 1
457 1 24 GLU HB3 1 25 HIS H . . 3.870 3.599 3.316 3.857 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLU HB3 1 25 HIS HD2 . . 4.240 3.328 2.570 3.772 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLU HB3 1 55 TYR QE . . 5.190 4.638 3.844 5.126 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLU QG 1 25 HIS HA . . 3.870 3.631 3.480 3.810 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLU HG2 1 25 HIS H . . 4.120 3.038 1.986 4.015 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLU HG3 1 25 HIS H . . 4.120 2.261 1.921 2.989 . 0 0 "[ . 1 . 2]" 1
463 1 25 HIS H 1 25 HIS HA . . 2.930 2.283 2.275 2.310 . 0 0 "[ . 1 . 2]" 1
464 1 25 HIS H 1 26 VAL H . . 3.200 2.734 2.565 2.979 . 0 0 "[ . 1 . 2]" 1
465 1 25 HIS H 1 26 VAL MG2 . . 4.920 4.409 4.214 4.690 . 0 0 "[ . 1 . 2]" 1
466 1 25 HIS HA 1 26 VAL H . . 3.440 2.877 2.796 2.985 . 0 0 "[ . 1 . 2]" 1
467 1 25 HIS QB 1 26 VAL H . . 4.030 3.891 3.780 4.033 0.003 1 0 "[ . 1 . 2]" 1
468 1 25 HIS HB2 1 26 VAL H . . 4.600 4.232 4.051 4.477 . 0 0 "[ . 1 . 2]" 1
469 1 25 HIS HB3 1 26 VAL H . . 4.600 4.549 4.481 4.671 0.071 19 0 "[ . 1 . 2]" 1
470 1 25 HIS HD2 1 39 MET ME . . 3.720 3.515 2.853 3.723 0.003 18 0 "[ . 1 . 2]" 1
471 1 26 VAL H 1 26 VAL HB . . 2.910 2.786 2.626 2.910 . 0 0 "[ . 1 . 2]" 1
472 1 26 VAL H 1 26 VAL MG1 . . 4.180 3.881 3.774 3.943 . 0 0 "[ . 1 . 2]" 1
473 1 26 VAL H 1 26 VAL MG2 . . 3.110 3.027 2.915 3.132 0.022 19 0 "[ . 1 . 2]" 1
474 1 26 VAL H 1 27 ASP H . . 4.370 4.276 3.992 4.375 0.005 1 0 "[ . 1 . 2]" 1
475 1 26 VAL HA 1 26 VAL MG1 . . 3.370 2.427 2.317 2.482 . 0 0 "[ . 1 . 2]" 1
476 1 26 VAL HA 1 26 VAL MG2 . . 3.340 2.356 2.178 2.436 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL HA 1 27 ASP H . . 2.880 2.188 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
478 1 26 VAL HB 1 27 ASP H . . 4.570 4.112 3.835 4.380 . 0 0 "[ . 1 . 2]" 1
479 1 26 VAL HB 1 43 ALA MB . . 4.740 3.985 3.597 4.295 . 0 0 "[ . 1 . 2]" 1
480 1 26 VAL MG1 1 27 ASP H . . 3.410 2.413 1.917 2.946 . 0 0 "[ . 1 . 2]" 1
481 1 26 VAL MG1 1 27 ASP HA . . 4.510 3.207 3.028 3.546 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL MG1 1 28 ILE H . . 3.870 3.575 2.942 3.860 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL MG1 1 28 ILE MD . . 3.780 3.333 2.686 3.600 . 0 0 "[ . 1 . 2]" 1
484 1 26 VAL MG1 1 28 ILE HG12 . . 3.970 3.847 3.366 3.970 0.000 19 0 "[ . 1 . 2]" 1
485 1 26 VAL MG1 1 28 ILE QG . . 3.330 2.798 2.248 2.968 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL MG1 1 28 ILE HG13 . . 3.970 2.876 2.283 3.072 . 0 0 "[ . 1 . 2]" 1
487 1 26 VAL MG1 1 40 ALA H . . 4.990 4.129 3.487 4.691 . 0 0 "[ . 1 . 2]" 1
488 1 26 VAL MG1 1 40 ALA HA . . 3.180 2.386 1.966 2.860 . 0 0 "[ . 1 . 2]" 1
489 1 26 VAL MG1 1 40 ALA MB . . 3.500 2.977 2.423 3.350 . 0 0 "[ . 1 . 2]" 1
490 1 26 VAL MG1 1 43 ALA MB . . 3.380 2.689 2.304 3.108 . 0 0 "[ . 1 . 2]" 1
491 1 26 VAL MG2 1 27 ASP H . . 5.240 3.916 3.762 4.119 . 0 0 "[ . 1 . 2]" 1
492 1 26 VAL MG2 1 39 MET H . . 5.500 5.187 4.577 5.499 . 0 0 "[ . 1 . 2]" 1
493 1 26 VAL MG2 1 39 MET QB . . 3.890 2.625 1.973 3.061 . 0 0 "[ . 1 . 2]" 1
494 1 26 VAL MG2 1 40 ALA H . . 5.310 3.656 3.120 4.019 . 0 0 "[ . 1 . 2]" 1
495 1 26 VAL MG2 1 40 ALA HA . . 3.450 2.911 2.482 3.325 . 0 0 "[ . 1 . 2]" 1
496 1 26 VAL MG2 1 43 ALA H . . 5.330 4.217 3.779 4.488 . 0 0 "[ . 1 . 2]" 1
497 1 26 VAL MG2 1 43 ALA MB . . 3.030 2.524 2.148 2.795 . 0 0 "[ . 1 . 2]" 1
498 1 26 VAL MG2 1 55 TYR QE . . 4.340 3.540 2.906 3.928 . 0 0 "[ . 1 . 2]" 1
499 1 27 ASP H 1 27 ASP HB2 . . 3.930 3.309 2.801 3.924 . 0 0 "[ . 1 . 2]" 1
500 1 27 ASP H 1 27 ASP QB . . 3.440 2.994 2.731 3.409 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP H 1 27 ASP HB3 . . 3.930 3.662 2.964 3.939 0.009 9 0 "[ . 1 . 2]" 1
502 1 27 ASP H 1 28 ILE H . . 4.380 3.862 3.615 4.082 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP H 1 28 ILE MD . . 5.500 5.303 5.068 5.500 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASP H 1 28 ILE QG . . 4.650 3.877 3.692 4.121 . 0 0 "[ . 1 . 2]" 1
505 1 27 ASP H 1 40 ALA MB . . 5.500 4.143 3.557 4.895 . 0 0 "[ . 1 . 2]" 1
506 1 27 ASP HA 1 28 ILE H . . 2.910 2.157 2.138 2.310 . 0 0 "[ . 1 . 2]" 1
507 1 27 ASP QB 1 28 ILE H . . 4.000 3.562 3.324 3.918 . 0 0 "[ . 1 . 2]" 1
508 1 27 ASP HB2 1 28 ILE H . . 4.590 4.161 3.539 4.553 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASP HB3 1 28 ILE H . . 4.590 3.996 3.481 4.465 . 0 0 "[ . 1 . 2]" 1
510 1 28 ILE H 1 28 ILE HB . . 3.270 2.543 2.481 2.615 . 0 0 "[ . 1 . 2]" 1
511 1 28 ILE H 1 28 ILE MD . . 4.030 3.553 3.226 3.742 . 0 0 "[ . 1 . 2]" 1
512 1 28 ILE H 1 28 ILE HG12 . . 3.970 3.740 3.492 3.932 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE H 1 28 ILE QG . . 3.290 2.362 2.061 2.529 . 0 0 "[ . 1 . 2]" 1
514 1 28 ILE H 1 28 ILE HG13 . . 3.970 2.388 2.074 2.565 . 0 0 "[ . 1 . 2]" 1
515 1 28 ILE H 1 28 ILE MG . . 3.930 3.798 3.773 3.822 . 0 0 "[ . 1 . 2]" 1
516 1 28 ILE HA 1 28 ILE MD . . 4.200 3.881 3.839 3.935 . 0 0 "[ . 1 . 2]" 1
517 1 28 ILE HA 1 28 ILE MG . . 3.610 2.312 2.216 2.374 . 0 0 "[ . 1 . 2]" 1
518 1 28 ILE HA 1 29 GLN H . . 3.570 2.226 2.144 2.345 . 0 0 "[ . 1 . 2]" 1
519 1 28 ILE HA 1 30 ASN H . . 3.690 3.577 3.382 3.686 . 0 0 "[ . 1 . 2]" 1
520 1 28 ILE HA 1 34 SER HB2 . . 4.010 3.478 2.145 3.951 . 0 0 "[ . 1 . 2]" 1
521 1 28 ILE HA 1 34 SER QB . . 3.450 2.789 2.124 3.442 . 0 0 "[ . 1 . 2]" 1
522 1 28 ILE HA 1 34 SER HB3 . . 4.010 3.100 2.237 3.841 . 0 0 "[ . 1 . 2]" 1
523 1 28 ILE HA 1 35 TRP HE1 . . 5.460 4.649 4.275 5.062 . 0 0 "[ . 1 . 2]" 1
524 1 28 ILE HB 1 28 ILE MD . . 3.510 2.295 2.194 2.406 . 0 0 "[ . 1 . 2]" 1
525 1 28 ILE HB 1 29 GLN H . . 4.570 4.428 4.265 4.479 . 0 0 "[ . 1 . 2]" 1
526 1 28 ILE HB 1 29 GLN HA . . 4.980 4.864 4.671 4.964 . 0 0 "[ . 1 . 2]" 1
527 1 28 ILE MD 1 28 ILE MG . . 3.060 2.185 1.979 2.335 . 0 0 "[ . 1 . 2]" 1
528 1 28 ILE MD 1 35 TRP HH2 . . 3.940 3.098 2.209 3.816 . 0 0 "[ . 1 . 2]" 1
529 1 28 ILE MD 1 35 TRP HZ2 . . 3.750 3.306 2.573 3.749 . 0 0 "[ . 1 . 2]" 1
530 1 28 ILE QG 1 28 ILE MG . . 3.130 2.178 2.096 2.290 . 0 0 "[ . 1 . 2]" 1
531 1 28 ILE HG12 1 28 ILE MG . . 3.720 2.219 2.128 2.347 . 0 0 "[ . 1 . 2]" 1
532 1 28 ILE HG13 1 28 ILE MG . . 3.720 3.173 3.146 3.186 . 0 0 "[ . 1 . 2]" 1
533 1 28 ILE MG 1 29 GLN H . . 4.070 3.181 2.783 3.503 . 0 0 "[ . 1 . 2]" 1
534 1 28 ILE MG 1 29 GLN HA . . 4.880 4.008 3.738 4.218 . 0 0 "[ . 1 . 2]" 1
535 1 28 ILE MG 1 30 ASN H . . 3.580 3.268 2.972 3.453 . 0 0 "[ . 1 . 2]" 1
536 1 28 ILE MG 1 35 TRP HE1 . . 3.720 2.981 2.380 3.433 . 0 0 "[ . 1 . 2]" 1
537 1 28 ILE MG 1 35 TRP HH2 . . 4.220 3.723 3.189 4.166 . 0 0 "[ . 1 . 2]" 1
538 1 28 ILE MG 1 35 TRP HZ2 . . 3.610 2.313 2.030 2.800 . 0 0 "[ . 1 . 2]" 1
539 1 29 GLN H 1 29 GLN QB . . 3.580 2.369 2.192 2.633 . 0 0 "[ . 1 . 2]" 1
540 1 29 GLN H 1 29 GLN HG2 . . 4.740 4.166 2.323 4.683 . 0 0 "[ . 1 . 2]" 1
541 1 29 GLN H 1 29 GLN HG3 . . 4.740 4.066 2.782 4.712 . 0 0 "[ . 1 . 2]" 1
542 1 29 GLN H 1 30 ASN H . . 2.980 2.131 1.818 2.371 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLN H 1 34 SER HB2 . . 4.060 3.158 2.436 4.046 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLN H 1 34 SER HB3 . . 4.060 3.329 2.569 3.992 . 0 0 "[ . 1 . 2]" 1
545 1 29 GLN HA 1 29 GLN HG2 . . 4.060 2.963 2.431 3.852 . 0 0 "[ . 1 . 2]" 1
546 1 29 GLN HA 1 29 GLN HG3 . . 4.060 2.862 2.294 3.889 . 0 0 "[ . 1 . 2]" 1
547 1 29 GLN QB 1 30 ASN H . . 3.840 2.752 2.576 2.959 . 0 0 "[ . 1 . 2]" 1
548 1 29 GLN HB2 1 30 ASN H . . 4.520 3.502 2.735 4.127 . 0 0 "[ . 1 . 2]" 1
549 1 29 GLN HB3 1 30 ASN H . . 4.520 3.131 2.620 4.123 . 0 0 "[ . 1 . 2]" 1
550 1 29 GLN QE 1 29 GLN QG . . 3.020 2.170 2.066 2.415 . 0 0 "[ . 1 . 2]" 1
551 1 30 ASN H 1 30 ASN QD . . 4.880 2.835 1.801 3.948 . 0 0 "[ . 1 . 2]" 1
552 1 30 ASN H 1 31 PHE H . . 4.770 4.335 4.249 4.401 . 0 0 "[ . 1 . 2]" 1
553 1 30 ASN H 1 32 SER H . . 4.910 4.214 4.036 4.479 . 0 0 "[ . 1 . 2]" 1
554 1 30 ASN H 1 34 SER H . . 4.760 4.557 4.137 4.761 0.001 19 0 "[ . 1 . 2]" 1
555 1 30 ASN H 1 34 SER HB2 . . 4.050 2.840 2.264 3.280 . 0 0 "[ . 1 . 2]" 1
556 1 30 ASN H 1 34 SER QB . . 3.500 2.642 2.227 3.136 . 0 0 "[ . 1 . 2]" 1
557 1 30 ASN H 1 34 SER HB3 . . 4.050 3.319 2.352 4.000 . 0 0 "[ . 1 . 2]" 1
558 1 30 ASN H 1 35 TRP HE1 . . 5.080 4.407 3.693 4.956 . 0 0 "[ . 1 . 2]" 1
559 1 30 ASN HA 1 31 PHE H . . 2.990 2.373 2.231 2.619 . 0 0 "[ . 1 . 2]" 1
560 1 30 ASN HA 1 32 SER H . . 4.400 4.327 4.138 4.406 0.006 19 0 "[ . 1 . 2]" 1
561 1 30 ASN QB 1 30 ASN HD22 . . 3.690 3.369 3.258 3.442 . 0 0 "[ . 1 . 2]" 1
562 1 30 ASN QB 1 31 PHE H . . 3.430 2.511 2.001 2.854 . 0 0 "[ . 1 . 2]" 1
563 1 30 ASN QB 1 32 SER H . . 3.620 3.062 2.637 3.538 . 0 0 "[ . 1 . 2]" 1
564 1 30 ASN QD 1 32 SER H . . 5.040 2.332 1.799 4.259 . 0 0 "[ . 1 . 2]" 1
565 1 30 ASN QD 1 33 SER H . . 3.950 2.591 2.050 3.949 . 0 0 "[ . 1 . 2]" 1
566 1 30 ASN QD 1 34 SER H . . 3.550 3.091 2.519 3.545 . 0 0 "[ . 1 . 2]" 1
567 1 31 PHE H 1 31 PHE QB . . 3.620 2.613 2.507 2.744 . 0 0 "[ . 1 . 2]" 1
568 1 31 PHE H 1 31 PHE QD . . 4.650 2.498 2.195 2.962 . 0 0 "[ . 1 . 2]" 1
569 1 31 PHE H 1 31 PHE QE . . 4.610 4.147 3.857 4.604 . 0 0 "[ . 1 . 2]" 1
570 1 31 PHE H 1 35 TRP HE1 . . 4.850 4.201 3.816 4.848 . 0 0 "[ . 1 . 2]" 1
571 1 31 PHE HA 1 31 PHE QD . . 3.710 2.843 2.596 3.090 . 0 0 "[ . 1 . 2]" 1
572 1 31 PHE HA 1 35 TRP HD1 . . 3.720 2.484 2.024 3.081 . 0 0 "[ . 1 . 2]" 1
573 1 31 PHE HA 1 35 TRP HE1 . . 3.120 2.186 1.909 2.468 . 0 0 "[ . 1 . 2]" 1
574 1 31 PHE HA 1 100 VAL MG1 . . 4.300 3.349 2.972 3.665 . 0 0 "[ . 1 . 2]" 1
575 1 31 PHE QB 1 32 SER H . . 4.200 3.888 3.833 3.913 . 0 0 "[ . 1 . 2]" 1
576 1 31 PHE QB 1 35 TRP HE1 . . 4.780 3.581 3.219 3.884 . 0 0 "[ . 1 . 2]" 1
577 1 31 PHE QB 1 97 TRP QB . . 3.630 2.463 2.139 2.944 . 0 0 "[ . 1 . 2]" 1
578 1 31 PHE QB 1 100 VAL HB . . 4.480 2.479 2.191 2.767 . 0 0 "[ . 1 . 2]" 1
579 1 31 PHE QB 1 100 VAL MG1 . . 3.950 2.203 1.916 2.582 . 0 0 "[ . 1 . 2]" 1
580 1 31 PHE QB 1 101 TYR H . . 4.280 3.555 3.228 3.969 . 0 0 "[ . 1 . 2]" 1
581 1 31 PHE QB 1 101 TYR QB . . 5.180 3.820 3.341 4.293 . 0 0 "[ . 1 . 2]" 1
582 1 31 PHE HB2 1 32 SER H . . 4.780 4.259 4.150 4.337 . 0 0 "[ . 1 . 2]" 1
583 1 31 PHE HB2 1 97 TRP HA . . 4.680 2.872 2.218 3.337 . 0 0 "[ . 1 . 2]" 1
584 1 31 PHE HB2 1 101 TYR H . . 4.870 4.290 3.775 4.836 . 0 0 "[ . 1 . 2]" 1
585 1 31 PHE HB3 1 32 SER H . . 4.780 4.495 4.454 4.555 . 0 0 "[ . 1 . 2]" 1
586 1 31 PHE HB3 1 97 TRP HA . . 4.680 3.065 2.642 3.571 . 0 0 "[ . 1 . 2]" 1
587 1 31 PHE HB3 1 101 TYR H . . 4.870 3.809 3.497 4.346 . 0 0 "[ . 1 . 2]" 1
588 1 31 PHE QD 1 35 TRP HE1 . . 3.980 2.439 1.982 2.956 . 0 0 "[ . 1 . 2]" 1
589 1 31 PHE QD 1 100 VAL MG1 . . 3.590 2.388 2.021 2.906 . 0 0 "[ . 1 . 2]" 1
590 1 31 PHE QD 1 101 TYR HA . . 4.830 4.336 3.839 4.697 . 0 0 "[ . 1 . 2]" 1
591 1 31 PHE QD 1 101 TYR QD . . 5.020 4.709 4.414 4.995 . 0 0 "[ . 1 . 2]" 1
592 1 31 PHE QD 1 104 ILE MD . . 4.320 3.923 3.478 4.319 . 0 0 "[ . 1 . 2]" 1
593 1 31 PHE QE 1 35 TRP HZ2 . . 3.740 2.416 2.005 2.812 . 0 0 "[ . 1 . 2]" 1
594 1 31 PHE QE 1 100 VAL MG1 . . 4.740 4.026 3.734 4.426 . 0 0 "[ . 1 . 2]" 1
595 1 31 PHE QE 1 101 TYR HA . . 4.930 4.612 4.065 4.906 . 0 0 "[ . 1 . 2]" 1
596 1 31 PHE QE 1 101 TYR QD . . 4.560 4.258 3.925 4.555 . 0 0 "[ . 1 . 2]" 1
597 1 31 PHE QE 1 104 ILE HB . . 5.500 4.751 4.244 5.137 . 0 0 "[ . 1 . 2]" 1
598 1 31 PHE QE 1 104 ILE MD . . 4.220 3.511 3.179 4.019 . 0 0 "[ . 1 . 2]" 1
599 1 31 PHE QE 1 104 ILE MG . . 4.040 3.497 2.869 3.883 . 0 0 "[ . 1 . 2]" 1
600 1 31 PHE HZ 1 101 TYR QD . . 5.500 4.980 4.658 5.313 . 0 0 "[ . 1 . 2]" 1
601 1 32 SER H 1 32 SER HB2 . . 4.140 2.703 2.390 3.738 . 0 0 "[ . 1 . 2]" 1
602 1 32 SER H 1 32 SER QB . . 3.610 2.501 2.358 2.864 . 0 0 "[ . 1 . 2]" 1
603 1 32 SER H 1 32 SER HB3 . . 4.140 3.185 2.732 3.788 . 0 0 "[ . 1 . 2]" 1
604 1 32 SER H 1 33 SER H . . 3.790 2.492 2.273 2.657 . 0 0 "[ . 1 . 2]" 1
605 1 32 SER H 1 34 SER H . . 3.810 3.084 2.737 3.429 . 0 0 "[ . 1 . 2]" 1
606 1 32 SER H 1 34 SER QB . . 4.810 3.519 3.244 3.853 . 0 0 "[ . 1 . 2]" 1
607 1 32 SER H 1 35 TRP H . . 5.160 4.425 3.852 4.895 . 0 0 "[ . 1 . 2]" 1
608 1 32 SER H 1 35 TRP HD1 . . 4.320 3.561 3.020 4.153 . 0 0 "[ . 1 . 2]" 1
609 1 32 SER H 1 35 TRP HE1 . . 4.850 4.386 4.023 4.816 . 0 0 "[ . 1 . 2]" 1
610 1 32 SER HA 1 95 PRO QG . . 4.230 3.980 3.646 4.227 . 0 0 "[ . 1 . 2]" 1
611 1 32 SER HB2 1 33 SER H . . 3.490 2.863 1.997 3.450 . 0 0 "[ . 1 . 2]" 1
612 1 32 SER HB3 1 33 SER H . . 3.490 2.470 1.901 3.490 . 0 0 "[ . 1 . 2]" 1
613 1 33 SER H 1 33 SER QB . . 3.220 2.777 2.414 3.106 . 0 0 "[ . 1 . 2]" 1
614 1 33 SER H 1 34 SER H . . 3.710 2.179 1.800 2.718 . 0 0 "[ . 1 . 2]" 1
615 1 33 SER H 1 35 TRP H . . 5.190 4.165 3.638 4.788 . 0 0 "[ . 1 . 2]" 1
616 1 33 SER HA 1 35 TRP H . . 4.020 3.570 3.306 3.879 . 0 0 "[ . 1 . 2]" 1
617 1 33 SER HA 1 36 SER H . . 3.380 2.953 2.604 3.290 . 0 0 "[ . 1 . 2]" 1
618 1 33 SER HA 1 36 SER QB . . 3.210 2.408 1.993 2.860 . 0 0 "[ . 1 . 2]" 1
619 1 33 SER HA 1 94 GLU HA . . 4.010 3.922 3.658 4.010 0.000 14 0 "[ . 1 . 2]" 1
620 1 33 SER HA 1 95 PRO HD2 . . 4.480 2.672 2.062 3.419 . 0 0 "[ . 1 . 2]" 1
621 1 33 SER HA 1 95 PRO HD3 . . 4.480 4.118 3.622 4.439 . 0 0 "[ . 1 . 2]" 1
622 1 33 SER QB 1 34 SER H . . 4.280 3.528 2.513 4.057 . 0 0 "[ . 1 . 2]" 1
623 1 34 SER H 1 34 SER HB2 . . 3.830 2.606 2.211 3.746 . 0 0 "[ . 1 . 2]" 1
624 1 34 SER H 1 34 SER QB . . 3.210 2.345 2.163 2.631 . 0 0 "[ . 1 . 2]" 1
625 1 34 SER H 1 34 SER HB3 . . 3.830 3.048 2.234 3.635 . 0 0 "[ . 1 . 2]" 1
626 1 34 SER H 1 35 TRP H . . 3.660 2.527 2.060 2.978 . 0 0 "[ . 1 . 2]" 1
627 1 34 SER H 1 35 TRP HD1 . . 4.010 3.179 2.459 3.941 . 0 0 "[ . 1 . 2]" 1
628 1 34 SER H 1 36 SER H . . 4.880 3.855 3.321 4.405 . 0 0 "[ . 1 . 2]" 1
629 1 34 SER QB 1 35 TRP H . . 3.790 2.935 2.600 3.790 . 0 0 "[ . 1 . 2]" 1
630 1 34 SER QB 1 35 TRP HD1 . . 3.990 2.679 2.318 3.665 . 0 0 "[ . 1 . 2]" 1
631 1 34 SER QB 1 35 TRP HE1 . . 3.960 3.213 2.565 3.950 . 0 0 "[ . 1 . 2]" 1
632 1 34 SER HB2 1 35 TRP H . . 4.580 3.597 2.771 4.418 . 0 0 "[ . 1 . 2]" 1
633 1 34 SER HB2 1 35 TRP HD1 . . 4.710 3.517 2.441 4.527 . 0 0 "[ . 1 . 2]" 1
634 1 34 SER HB2 1 35 TRP HE1 . . 4.810 4.053 2.886 4.809 . 0 0 "[ . 1 . 2]" 1
635 1 34 SER HB3 1 35 TRP H . . 4.580 3.391 2.649 4.125 . 0 0 "[ . 1 . 2]" 1
636 1 34 SER HB3 1 35 TRP HD1 . . 4.710 3.295 2.345 4.316 . 0 0 "[ . 1 . 2]" 1
637 1 34 SER HB3 1 35 TRP HE1 . . 4.810 3.754 2.597 4.795 . 0 0 "[ . 1 . 2]" 1
638 1 35 TRP H 1 35 TRP HB2 . . 3.810 2.660 2.475 2.853 . 0 0 "[ . 1 . 2]" 1
639 1 35 TRP H 1 35 TRP QB . . 3.230 2.603 2.436 2.772 . 0 0 "[ . 1 . 2]" 1
640 1 35 TRP H 1 35 TRP HB3 . . 3.810 3.702 3.635 3.820 0.010 1 0 "[ . 1 . 2]" 1
641 1 35 TRP H 1 35 TRP HD1 . . 3.410 2.093 1.903 2.351 . 0 0 "[ . 1 . 2]" 1
642 1 35 TRP H 1 35 TRP HE1 . . 4.860 4.473 4.241 4.740 . 0 0 "[ . 1 . 2]" 1
643 1 35 TRP H 1 36 SER H . . 2.990 2.170 1.872 2.427 . 0 0 "[ . 1 . 2]" 1
644 1 35 TRP H 1 36 SER HA . . 5.000 4.692 4.457 4.945 . 0 0 "[ . 1 . 2]" 1
645 1 35 TRP H 1 37 ASP H . . 4.750 4.190 4.048 4.387 . 0 0 "[ . 1 . 2]" 1
646 1 35 TRP H 1 95 PRO QG . . 4.550 3.686 3.061 4.370 . 0 0 "[ . 1 . 2]" 1
647 1 35 TRP H 1 100 VAL MG2 . . 5.410 5.081 4.588 5.396 . 0 0 "[ . 1 . 2]" 1
648 1 35 TRP HA 1 37 ASP H . . 4.040 3.636 3.318 3.868 . 0 0 "[ . 1 . 2]" 1
649 1 35 TRP HA 1 38 GLY H . . 4.910 3.441 3.270 3.691 . 0 0 "[ . 1 . 2]" 1
650 1 35 TRP HA 1 40 ALA H . . 4.920 4.234 3.905 4.582 . 0 0 "[ . 1 . 2]" 1
651 1 35 TRP HA 1 40 ALA MB . . 3.960 2.110 1.915 2.520 . 0 0 "[ . 1 . 2]" 1
652 1 35 TRP HA 1 41 PHE H . . 5.180 3.874 3.572 4.227 . 0 0 "[ . 1 . 2]" 1
653 1 35 TRP HA 1 41 PHE QD . . 5.500 4.290 3.938 4.890 . 0 0 "[ . 1 . 2]" 1
654 1 35 TRP QB 1 36 SER H . . 4.080 2.930 2.512 3.769 . 0 0 "[ . 1 . 2]" 1
655 1 35 TRP QB 1 40 ALA MB . . 4.280 3.107 2.621 3.708 . 0 0 "[ . 1 . 2]" 1
656 1 35 TRP QB 1 41 PHE QE . . 4.090 2.322 2.013 2.793 . 0 0 "[ . 1 . 2]" 1
657 1 35 TRP QB 1 100 VAL MG1 . . 4.190 3.498 2.826 3.952 . 0 0 "[ . 1 . 2]" 1
658 1 35 TRP QB 1 100 VAL MG2 . . 4.320 3.473 2.853 3.993 . 0 0 "[ . 1 . 2]" 1
659 1 35 TRP HB2 1 36 SER H . . 4.950 3.014 2.561 4.020 . 0 0 "[ . 1 . 2]" 1
660 1 35 TRP HB2 1 40 ALA MB . . 5.030 4.301 3.945 4.864 . 0 0 "[ . 1 . 2]" 1
661 1 35 TRP HB2 1 41 PHE QE . . 4.680 2.988 2.301 3.634 . 0 0 "[ . 1 . 2]" 1
662 1 35 TRP HB3 1 36 SER H . . 4.950 4.060 3.631 4.554 . 0 0 "[ . 1 . 2]" 1
663 1 35 TRP HB3 1 40 ALA MB . . 5.030 3.191 2.659 3.846 . 0 0 "[ . 1 . 2]" 1
664 1 35 TRP HB3 1 41 PHE QE . . 4.680 2.472 2.044 3.116 . 0 0 "[ . 1 . 2]" 1
665 1 35 TRP HD1 1 36 SER H . . 4.600 4.000 3.661 4.597 . 0 0 "[ . 1 . 2]" 1
666 1 35 TRP HD1 1 100 VAL MG1 . . 4.390 3.776 3.208 4.317 . 0 0 "[ . 1 . 2]" 1
667 1 35 TRP HD1 1 100 VAL MG2 . . 4.700 4.189 3.475 4.687 . 0 0 "[ . 1 . 2]" 1
668 1 35 TRP HE1 1 100 VAL MG1 . . 4.200 3.625 2.823 4.079 . 0 0 "[ . 1 . 2]" 1
669 1 35 TRP HE3 1 40 ALA MB . . 4.230 2.840 2.266 3.344 . 0 0 "[ . 1 . 2]" 1
670 1 35 TRP HE3 1 41 PHE H . . 4.040 3.042 2.586 3.465 . 0 0 "[ . 1 . 2]" 1
671 1 35 TRP HE3 1 41 PHE QE . . 4.580 3.257 2.826 4.035 . 0 0 "[ . 1 . 2]" 1
672 1 35 TRP HH2 1 44 LEU MD1 . . 4.400 3.105 2.703 3.952 . 0 0 "[ . 1 . 2]" 1
673 1 35 TRP HH2 1 44 LEU MD2 . . 3.800 2.366 1.972 3.139 . 0 0 "[ . 1 . 2]" 1
674 1 35 TRP HH2 1 104 ILE MD . . 4.020 2.429 2.053 3.073 . 0 0 "[ . 1 . 2]" 1
675 1 35 TRP HH2 1 104 ILE QG . . 4.340 4.009 3.595 4.305 . 0 0 "[ . 1 . 2]" 1
676 1 35 TRP HZ2 1 104 ILE MD . . 4.130 3.340 2.778 3.871 . 0 0 "[ . 1 . 2]" 1
677 1 35 TRP HZ3 1 40 ALA MB . . 4.400 3.904 3.410 4.187 . 0 0 "[ . 1 . 2]" 1
678 1 35 TRP HZ3 1 41 PHE H . . 4.540 4.354 4.121 4.535 . 0 0 "[ . 1 . 2]" 1
679 1 35 TRP HZ3 1 41 PHE HA . . 4.220 2.492 2.002 3.017 . 0 0 "[ . 1 . 2]" 1
680 1 35 TRP HZ3 1 41 PHE QD . . 4.550 2.987 2.249 3.849 . 0 0 "[ . 1 . 2]" 1
681 1 35 TRP HZ3 1 44 LEU MD2 . . 4.400 2.192 1.951 2.450 . 0 0 "[ . 1 . 2]" 1
682 1 35 TRP HZ3 1 104 ILE MD . . 4.360 3.098 2.603 3.726 . 0 0 "[ . 1 . 2]" 1
683 1 36 SER H 1 36 SER HB2 . . 3.820 3.159 2.332 3.665 . 0 0 "[ . 1 . 2]" 1
684 1 36 SER H 1 36 SER QB . . 3.180 2.359 2.225 2.658 . 0 0 "[ . 1 . 2]" 1
685 1 36 SER H 1 36 SER HB3 . . 3.820 2.573 2.328 3.627 . 0 0 "[ . 1 . 2]" 1
686 1 36 SER H 1 36 SER HG . . 4.740 3.561 2.209 4.473 . 0 0 "[ . 1 . 2]" 1
687 1 36 SER H 1 37 ASP H . . 3.510 2.863 2.168 3.019 . 0 0 "[ . 1 . 2]" 1
688 1 36 SER H 1 38 GLY H . . 4.970 4.819 4.044 4.969 . 0 0 "[ . 1 . 2]" 1
689 1 36 SER H 1 95 PRO HD2 . . 5.100 3.420 2.954 4.663 . 0 0 "[ . 1 . 2]" 1
690 1 36 SER H 1 95 PRO QD . . 4.420 3.167 2.763 4.068 . 0 0 "[ . 1 . 2]" 1
691 1 36 SER H 1 95 PRO HD3 . . 5.100 3.797 3.036 4.482 . 0 0 "[ . 1 . 2]" 1
692 1 36 SER H 1 95 PRO QG . . 4.850 3.110 2.545 4.416 . 0 0 "[ . 1 . 2]" 1
693 1 36 SER HA 1 95 PRO HD2 . . 4.750 3.583 3.174 4.026 . 0 0 "[ . 1 . 2]" 1
694 1 36 SER HA 1 95 PRO QD . . 4.110 2.568 2.041 2.918 . 0 0 "[ . 1 . 2]" 1
695 1 36 SER HA 1 95 PRO HD3 . . 4.750 2.640 2.057 3.088 . 0 0 "[ . 1 . 2]" 1
696 1 36 SER HA 1 95 PRO QG . . 4.430 3.018 2.535 3.470 . 0 0 "[ . 1 . 2]" 1
697 1 36 SER QB 1 94 GLU HA . . 3.380 2.575 2.332 3.078 . 0 0 "[ . 1 . 2]" 1
698 1 36 SER QB 1 95 PRO QD . . 3.690 2.033 1.831 3.195 . 0 0 "[ . 1 . 2]" 1
699 1 36 SER HB2 1 94 GLU HA . . 4.070 2.979 2.365 4.071 0.001 14 0 "[ . 1 . 2]" 1
700 1 36 SER HB3 1 94 GLU HA . . 4.070 3.209 2.432 4.076 0.006 5 0 "[ . 1 . 2]" 1
701 1 37 ASP H 1 37 ASP HB2 . . 4.000 2.785 2.250 3.617 . 0 0 "[ . 1 . 2]" 1
702 1 37 ASP H 1 37 ASP QB . . 3.460 2.422 2.170 2.779 . 0 0 "[ . 1 . 2]" 1
703 1 37 ASP H 1 37 ASP HB3 . . 4.000 3.124 2.271 3.602 . 0 0 "[ . 1 . 2]" 1
704 1 37 ASP H 1 38 GLY H . . 3.260 2.911 2.443 3.044 . 0 0 "[ . 1 . 2]" 1
705 1 37 ASP QB 1 38 GLY H . . 4.000 2.461 2.044 3.259 . 0 0 "[ . 1 . 2]" 1
706 1 37 ASP QB 1 39 MET H . . 4.550 3.416 3.184 3.838 . 0 0 "[ . 1 . 2]" 1
707 1 37 ASP HB2 1 38 GLY H . . 4.620 2.824 2.061 4.043 . 0 0 "[ . 1 . 2]" 1
708 1 37 ASP HB2 1 39 MET H . . 5.280 4.102 3.223 5.219 . 0 0 "[ . 1 . 2]" 1
709 1 37 ASP HB3 1 38 GLY H . . 4.620 3.159 2.086 3.853 . 0 0 "[ . 1 . 2]" 1
710 1 37 ASP HB3 1 39 MET H . . 5.280 4.053 3.366 5.220 . 0 0 "[ . 1 . 2]" 1
711 1 38 GLY H 1 39 MET H . . 3.830 3.234 2.995 3.434 . 0 0 "[ . 1 . 2]" 1
712 1 38 GLY H 1 40 ALA H . . 5.000 3.104 2.934 3.318 . 0 0 "[ . 1 . 2]" 1
713 1 38 GLY H 1 41 PHE QD . . 5.500 4.494 3.976 4.764 . 0 0 "[ . 1 . 2]" 1
714 1 38 GLY HA2 1 41 PHE H . . 4.120 3.986 3.723 4.121 0.001 5 0 "[ . 1 . 2]" 1
715 1 38 GLY HA2 1 41 PHE QD . . 4.240 3.359 2.904 3.638 . 0 0 "[ . 1 . 2]" 1
716 1 38 GLY HA2 1 66 ASN HB2 . . 4.310 3.449 3.128 3.743 . 0 0 "[ . 1 . 2]" 1
717 1 38 GLY HA2 1 66 ASN HB3 . . 4.490 2.823 2.593 3.077 . 0 0 "[ . 1 . 2]" 1
718 1 38 GLY HA2 1 66 ASN HD21 . . 4.780 3.853 3.678 4.087 . 0 0 "[ . 1 . 2]" 1
719 1 38 GLY HA2 1 66 ASN HD22 . . 5.500 5.377 5.166 5.499 . 0 0 "[ . 1 . 2]" 1
720 1 38 GLY HA2 1 67 PHE QE . . 4.780 2.452 2.045 3.609 . 0 0 "[ . 1 . 2]" 1
721 1 38 GLY HA3 1 40 ALA H . . 5.490 4.505 4.310 4.745 . 0 0 "[ . 1 . 2]" 1
722 1 38 GLY HA3 1 41 PHE H . . 5.500 5.174 4.969 5.294 . 0 0 "[ . 1 . 2]" 1
723 1 38 GLY HA3 1 66 ASN H . . 4.830 4.768 4.488 4.834 0.004 20 0 "[ . 1 . 2]" 1
724 1 38 GLY HA3 1 66 ASN HB2 . . 4.610 2.406 2.108 2.544 . 0 0 "[ . 1 . 2]" 1
725 1 38 GLY HA3 1 66 ASN HB3 . . 4.580 2.162 2.001 2.485 . 0 0 "[ . 1 . 2]" 1
726 1 39 MET H 1 39 MET ME . . 5.040 4.803 4.645 5.034 . 0 0 "[ . 1 . 2]" 1
727 1 39 MET H 1 39 MET HG2 . . 3.610 2.630 1.939 3.441 . 0 0 "[ . 1 . 2]" 1
728 1 39 MET H 1 39 MET QG . . 2.980 2.156 1.927 2.499 . 0 0 "[ . 1 . 2]" 1
729 1 39 MET H 1 39 MET HG3 . . 3.610 2.922 2.018 3.602 . 0 0 "[ . 1 . 2]" 1
730 1 39 MET H 1 40 ALA H . . 3.620 3.001 2.901 3.137 . 0 0 "[ . 1 . 2]" 1
731 1 39 MET H 1 40 ALA MB . . 4.990 4.505 4.410 4.599 . 0 0 "[ . 1 . 2]" 1
732 1 39 MET H 1 41 PHE H . . 5.400 5.078 4.875 5.228 . 0 0 "[ . 1 . 2]" 1
733 1 39 MET H 1 60 PRO HA . . 4.710 3.936 3.433 4.304 . 0 0 "[ . 1 . 2]" 1
734 1 39 MET H 1 66 ASN HB2 . . 5.500 4.126 3.865 4.316 . 0 0 "[ . 1 . 2]" 1
735 1 39 MET H 1 66 ASN HB3 . . 3.340 3.234 3.072 3.342 0.002 4 0 "[ . 1 . 2]" 1
736 1 39 MET HA 1 39 MET ME . . 4.320 4.076 3.518 4.320 . 2 0 "[ . 1 . 2]" 1
737 1 39 MET HA 1 39 MET HG2 . . 3.970 2.639 2.268 3.087 . 0 0 "[ . 1 . 2]" 1
738 1 39 MET HA 1 39 MET QG . . 3.340 2.558 2.226 2.951 . 0 0 "[ . 1 . 2]" 1
739 1 39 MET HA 1 39 MET HG3 . . 3.970 3.455 2.956 3.797 . 0 0 "[ . 1 . 2]" 1
740 1 39 MET HA 1 41 PHE H . . 5.030 4.830 4.512 5.020 . 0 0 "[ . 1 . 2]" 1
741 1 39 MET HA 1 42 CYS H . . 3.780 3.533 3.262 3.745 . 0 0 "[ . 1 . 2]" 1
742 1 39 MET HA 1 42 CYS HB2 . . 3.920 2.490 2.317 2.736 . 0 0 "[ . 1 . 2]" 1
743 1 39 MET HA 1 42 CYS HB3 . . 4.260 4.012 3.861 4.222 . 0 0 "[ . 1 . 2]" 1
744 1 39 MET HA 1 42 CYS HG . . 4.420 3.440 2.817 4.356 . 0 0 "[ . 1 . 2]" 1
745 1 39 MET HA 1 58 LEU MD1 . . 4.420 4.030 3.670 4.393 . 0 0 "[ . 1 . 2]" 1
746 1 39 MET HA 1 66 ASN HB3 . . 3.890 3.481 3.197 3.794 . 0 0 "[ . 1 . 2]" 1
747 1 39 MET QB 1 39 MET ME . . 3.160 3.010 2.701 3.160 . 0 0 "[ . 1 . 2]" 1
748 1 39 MET QB 1 55 TYR QE . . 4.750 2.907 2.308 3.464 . 0 0 "[ . 1 . 2]" 1
749 1 39 MET ME 1 39 MET HG2 . . 3.300 2.683 1.985 3.248 . 0 0 "[ . 1 . 2]" 1
750 1 39 MET ME 1 39 MET HG3 . . 3.300 2.589 2.009 3.262 . 0 0 "[ . 1 . 2]" 1
751 1 39 MET ME 1 55 TYR QE . . 3.880 3.324 2.760 3.767 . 0 0 "[ . 1 . 2]" 1
752 1 39 MET ME 1 58 LEU QB . . 3.670 3.356 2.549 3.583 . 0 0 "[ . 1 . 2]" 1
753 1 39 MET ME 1 59 SER H . . 4.520 4.287 3.709 4.519 . 0 0 "[ . 1 . 2]" 1
754 1 39 MET ME 1 59 SER HA . . 3.710 2.900 2.313 3.249 . 0 0 "[ . 1 . 2]" 1
755 1 39 MET ME 1 60 PRO HA . . 4.290 3.344 2.676 3.835 . 0 0 "[ . 1 . 2]" 1
756 1 39 MET ME 1 60 PRO HD2 . . 4.130 3.768 3.342 4.130 . 0 0 "[ . 1 . 2]" 1
757 1 39 MET ME 1 60 PRO QD . . 3.510 2.305 1.919 2.682 . 0 0 "[ . 1 . 2]" 1
758 1 39 MET ME 1 60 PRO HD3 . . 4.130 2.326 1.931 2.718 . 0 0 "[ . 1 . 2]" 1
759 1 39 MET QG 1 40 ALA H . . 4.560 4.088 3.949 4.311 . 0 0 "[ . 1 . 2]" 1
760 1 39 MET QG 1 60 PRO HA . . 3.450 2.299 1.966 2.705 . 0 0 "[ . 1 . 2]" 1
761 1 39 MET QG 1 66 ASN HD21 . . 4.490 3.196 2.824 3.817 . 0 0 "[ . 1 . 2]" 1
762 1 39 MET QG 1 66 ASN HD22 . . 4.580 2.432 1.927 3.160 . 0 0 "[ . 1 . 2]" 1
763 1 39 MET HG2 1 60 PRO HA . . 3.960 2.843 2.010 3.855 . 0 0 "[ . 1 . 2]" 1
764 1 39 MET HG3 1 60 PRO HA . . 3.960 2.662 2.004 3.270 . 0 0 "[ . 1 . 2]" 1
765 1 40 ALA H 1 40 ALA MB . . 3.170 2.176 2.053 2.268 . 0 0 "[ . 1 . 2]" 1
766 1 40 ALA H 1 41 PHE H . . 3.760 3.268 3.106 3.358 . 0 0 "[ . 1 . 2]" 1
767 1 40 ALA H 1 42 CYS H . . 5.110 4.494 4.168 4.707 . 0 0 "[ . 1 . 2]" 1
768 1 40 ALA H 1 42 CYS HB2 . . 5.500 5.016 4.856 5.161 . 0 0 "[ . 1 . 2]" 1
769 1 40 ALA HA 1 42 CYS H . . 5.020 4.755 4.324 4.949 . 0 0 "[ . 1 . 2]" 1
770 1 40 ALA HA 1 43 ALA H . . 4.140 3.942 3.410 4.128 . 0 0 "[ . 1 . 2]" 1
771 1 40 ALA HA 1 43 ALA MB . . 3.590 3.007 2.577 3.235 . 0 0 "[ . 1 . 2]" 1
772 1 40 ALA HA 1 44 LEU H . . 4.310 4.246 4.140 4.312 0.002 16 0 "[ . 1 . 2]" 1
773 1 40 ALA MB 1 41 PHE H . . 3.580 2.136 1.938 2.377 . 0 0 "[ . 1 . 2]" 1
774 1 41 PHE H 1 41 PHE HB2 . . 3.840 2.296 2.219 2.514 . 0 0 "[ . 1 . 2]" 1
775 1 41 PHE H 1 41 PHE QB . . 3.280 2.269 2.197 2.468 . 0 0 "[ . 1 . 2]" 1
776 1 41 PHE H 1 41 PHE HB3 . . 3.840 3.551 3.516 3.593 . 0 0 "[ . 1 . 2]" 1
777 1 41 PHE H 1 41 PHE QD . . 3.870 2.938 2.441 3.204 . 0 0 "[ . 1 . 2]" 1
778 1 41 PHE H 1 42 CYS H . . 3.410 2.961 2.770 3.119 . 0 0 "[ . 1 . 2]" 1
779 1 41 PHE H 1 42 CYS HB2 . . 5.500 4.983 4.804 5.230 . 0 0 "[ . 1 . 2]" 1
780 1 41 PHE H 1 43 ALA H . . 4.920 4.664 4.329 4.918 . 0 0 "[ . 1 . 2]" 1
781 1 41 PHE H 1 70 ALA MB . . 5.500 4.545 4.352 4.895 . 0 0 "[ . 1 . 2]" 1
782 1 41 PHE HA 1 41 PHE QD . . 4.360 2.472 2.205 2.832 . 0 0 "[ . 1 . 2]" 1
783 1 41 PHE HA 1 41 PHE QE . . 4.680 4.330 4.217 4.494 . 0 0 "[ . 1 . 2]" 1
784 1 41 PHE HA 1 44 LEU HB2 . . 4.940 3.655 3.245 4.139 . 0 0 "[ . 1 . 2]" 1
785 1 41 PHE HA 1 44 LEU HB3 . . 4.940 2.924 2.642 3.314 . 0 0 "[ . 1 . 2]" 1
786 1 41 PHE QB 1 42 CYS H . . 3.350 2.454 2.329 2.669 . 0 0 "[ . 1 . 2]" 1
787 1 41 PHE QB 1 67 PHE HA . . 4.650 3.362 3.123 3.609 . 0 0 "[ . 1 . 2]" 1
788 1 41 PHE QB 1 70 ALA MB . . 3.050 1.993 1.848 2.330 . 0 0 "[ . 1 . 2]" 1
789 1 41 PHE HB2 1 42 CYS H . . 3.820 2.578 2.409 2.814 . 0 0 "[ . 1 . 2]" 1
790 1 41 PHE HB2 1 70 ALA MB . . 3.560 2.906 2.585 3.313 . 0 0 "[ . 1 . 2]" 1
791 1 41 PHE HB3 1 42 CYS H . . 3.820 3.097 2.876 3.413 . 0 0 "[ . 1 . 2]" 1
792 1 41 PHE HB3 1 70 ALA MB . . 3.560 2.033 1.873 2.381 . 0 0 "[ . 1 . 2]" 1
793 1 41 PHE QD 1 70 ALA MB . . 4.290 3.525 3.206 3.828 . 0 0 "[ . 1 . 2]" 1
794 1 41 PHE QE 1 84 LEU MD1 . . 3.960 3.110 2.482 3.589 . 0 0 "[ . 1 . 2]" 1
795 1 41 PHE QE 1 89 MET ME . . 3.860 2.945 2.598 3.508 . 0 0 "[ . 1 . 2]" 1
796 1 41 PHE QE 1 100 VAL MG1 . . 4.070 3.227 2.759 3.955 . 0 0 "[ . 1 . 2]" 1
797 1 41 PHE QE 1 103 TYR QD . . 3.810 2.623 2.055 3.009 . 0 0 "[ . 1 . 2]" 1
798 1 41 PHE QE 1 103 TYR QE . . 3.930 3.552 2.817 3.927 . 0 0 "[ . 1 . 2]" 1
799 1 41 PHE QE 1 104 ILE MD . . 4.180 2.774 2.239 3.367 . 0 0 "[ . 1 . 2]" 1
800 1 41 PHE HZ 1 84 LEU MD1 . . 3.950 2.610 1.998 3.343 . 0 0 "[ . 1 . 2]" 1
801 1 41 PHE HZ 1 89 MET ME . . 3.960 3.361 2.828 3.930 . 0 0 "[ . 1 . 2]" 1
802 1 41 PHE HZ 1 100 VAL HA . . 4.670 3.683 3.051 4.382 . 0 0 "[ . 1 . 2]" 1
803 1 41 PHE HZ 1 100 VAL MG1 . . 3.590 2.520 2.011 3.406 . 0 0 "[ . 1 . 2]" 1
804 1 41 PHE HZ 1 100 VAL MG2 . . 3.740 3.087 2.429 3.642 . 0 0 "[ . 1 . 2]" 1
805 1 41 PHE HZ 1 104 ILE MD . . 4.730 4.183 3.398 4.611 . 0 0 "[ . 1 . 2]" 1
806 1 42 CYS H 1 42 CYS HB2 . . 3.340 2.486 2.317 2.702 . 0 0 "[ . 1 . 2]" 1
807 1 42 CYS H 1 42 CYS HB3 . . 3.690 3.587 3.557 3.602 . 0 0 "[ . 1 . 2]" 1
808 1 42 CYS H 1 42 CYS HG . . 3.250 2.496 1.988 3.149 . 0 0 "[ . 1 . 2]" 1
809 1 42 CYS H 1 43 ALA H . . 3.520 3.019 2.682 3.154 . 0 0 "[ . 1 . 2]" 1
810 1 42 CYS H 1 43 ALA MB . . 4.670 4.521 4.275 4.629 . 0 0 "[ . 1 . 2]" 1
811 1 42 CYS H 1 58 LEU MD1 . . 5.090 4.810 4.553 5.079 . 0 0 "[ . 1 . 2]" 1
812 1 42 CYS H 1 70 ALA MB . . 3.860 2.938 2.410 3.232 . 0 0 "[ . 1 . 2]" 1
813 1 42 CYS HA 1 42 CYS HG . . 3.970 3.302 2.757 3.818 . 0 0 "[ . 1 . 2]" 1
814 1 42 CYS HA 1 43 ALA HA . . 5.160 4.850 4.791 4.926 . 0 0 "[ . 1 . 2]" 1
815 1 42 CYS HA 1 44 LEU H . . 5.500 4.687 4.498 4.978 . 0 0 "[ . 1 . 2]" 1
816 1 42 CYS HA 1 45 VAL H . . 3.690 3.606 3.439 3.690 . 0 0 "[ . 1 . 2]" 1
817 1 42 CYS HA 1 45 VAL HB . . 3.700 2.979 2.767 3.180 . 0 0 "[ . 1 . 2]" 1
818 1 42 CYS HA 1 45 VAL MG2 . . 3.660 3.151 2.976 3.435 . 0 0 "[ . 1 . 2]" 1
819 1 42 CYS HA 1 46 HIS H . . 4.130 3.692 3.289 3.910 . 0 0 "[ . 1 . 2]" 1
820 1 42 CYS HA 1 58 LEU MD1 . . 4.360 4.076 3.807 4.321 . 0 0 "[ . 1 . 2]" 1
821 1 42 CYS HA 1 70 ALA H . . 4.750 4.426 3.978 4.736 . 0 0 "[ . 1 . 2]" 1
822 1 42 CYS HA 1 70 ALA HA . . 3.970 3.067 2.637 3.344 . 0 0 "[ . 1 . 2]" 1
823 1 42 CYS HA 1 70 ALA MB . . 3.490 2.457 2.013 2.840 . 0 0 "[ . 1 . 2]" 1
824 1 42 CYS HB2 1 43 ALA H . . 3.770 2.297 2.026 2.640 . 0 0 "[ . 1 . 2]" 1
825 1 42 CYS HB2 1 55 TYR QD . . 4.490 3.271 2.151 4.025 . 0 0 "[ . 1 . 2]" 1
826 1 42 CYS HB2 1 55 TYR QE . . 3.960 2.767 2.001 3.374 . 0 0 "[ . 1 . 2]" 1
827 1 42 CYS HB2 1 58 LEU MD1 . . 4.060 3.244 2.929 3.580 . 0 0 "[ . 1 . 2]" 1
828 1 42 CYS HB3 1 43 ALA H . . 4.230 3.183 2.872 3.660 . 0 0 "[ . 1 . 2]" 1
829 1 42 CYS HB3 1 55 TYR QD . . 4.010 2.493 2.054 2.861 . 0 0 "[ . 1 . 2]" 1
830 1 42 CYS HB3 1 58 LEU MD1 . . 3.940 2.486 2.232 2.813 . 0 0 "[ . 1 . 2]" 1
831 1 42 CYS HG 1 43 ALA H . . 4.980 4.678 4.449 4.951 . 0 0 "[ . 1 . 2]" 1
832 1 42 CYS HG 1 58 LEU MD1 . . 4.330 3.460 2.788 3.858 . 0 0 "[ . 1 . 2]" 1
833 1 42 CYS HG 1 66 ASN HA . . 4.550 2.817 2.089 3.455 . 0 0 "[ . 1 . 2]" 1
834 1 42 CYS HG 1 70 ALA H . . 4.410 3.650 2.712 4.279 . 0 0 "[ . 1 . 2]" 1
835 1 42 CYS HG 1 70 ALA MB . . 3.720 2.705 1.986 3.407 . 0 0 "[ . 1 . 2]" 1
836 1 43 ALA H 1 43 ALA MB . . 3.100 2.184 2.031 2.268 . 0 0 "[ . 1 . 2]" 1
837 1 43 ALA H 1 44 LEU H . . 3.500 2.974 2.689 3.278 . 0 0 "[ . 1 . 2]" 1
838 1 43 ALA H 1 55 TYR QD . . 4.570 3.783 3.301 4.447 . 0 0 "[ . 1 . 2]" 1
839 1 43 ALA H 1 55 TYR QE . . 3.420 2.828 1.960 3.303 . 0 0 "[ . 1 . 2]" 1
840 1 43 ALA H 1 58 LEU MD1 . . 5.330 4.887 4.471 5.198 . 0 0 "[ . 1 . 2]" 1
841 1 43 ALA HA 1 46 HIS H . . 4.300 3.822 3.520 4.116 . 0 0 "[ . 1 . 2]" 1
842 1 43 ALA HA 1 46 HIS HB2 . . 4.260 3.497 3.242 3.767 . 0 0 "[ . 1 . 2]" 1
843 1 43 ALA HA 1 46 HIS HB3 . . 3.910 2.741 2.533 3.034 . 0 0 "[ . 1 . 2]" 1
844 1 43 ALA HA 1 47 ASN H . . 4.430 3.991 3.811 4.124 . 0 0 "[ . 1 . 2]" 1
845 1 43 ALA HA 1 55 TYR QD . . 3.860 3.401 2.827 3.837 . 0 0 "[ . 1 . 2]" 1
846 1 43 ALA HA 1 55 TYR QE . . 3.880 3.483 2.680 3.876 . 0 0 "[ . 1 . 2]" 1
847 1 43 ALA MB 1 44 LEU H . . 3.240 2.373 2.066 2.602 . 0 0 "[ . 1 . 2]" 1
848 1 43 ALA MB 1 44 LEU HA . . 3.810 3.724 3.560 3.813 0.003 14 0 "[ . 1 . 2]" 1
849 1 43 ALA MB 1 45 VAL H . . 4.580 4.469 4.315 4.584 0.004 16 0 "[ . 1 . 2]" 1
850 1 43 ALA MB 1 47 ASN H . . 4.960 4.681 4.509 4.859 . 0 0 "[ . 1 . 2]" 1
851 1 43 ALA MB 1 55 TYR QD . . 4.250 3.930 3.611 4.252 0.002 16 0 "[ . 1 . 2]" 1
852 1 43 ALA MB 1 55 TYR QE . . 3.540 2.802 2.280 3.171 . 0 0 "[ . 1 . 2]" 1
853 1 44 LEU H 1 44 LEU HB2 . . 3.250 2.479 2.357 2.588 . 0 0 "[ . 1 . 2]" 1
854 1 44 LEU H 1 44 LEU HB3 . . 3.250 2.544 2.430 2.671 . 0 0 "[ . 1 . 2]" 1
855 1 44 LEU H 1 44 LEU MD1 . . 4.160 4.009 3.848 4.119 . 0 0 "[ . 1 . 2]" 1
856 1 44 LEU H 1 44 LEU HG . . 4.520 4.485 4.429 4.527 0.007 18 0 "[ . 1 . 2]" 1
857 1 44 LEU HA 1 44 LEU MD1 . . 3.140 2.358 2.149 2.573 . 0 0 "[ . 1 . 2]" 1
858 1 44 LEU HA 1 44 LEU MD2 . . 4.240 3.936 3.887 3.966 . 0 0 "[ . 1 . 2]" 1
859 1 44 LEU HA 1 44 LEU HG . . 4.170 3.003 2.900 3.198 . 0 0 "[ . 1 . 2]" 1
860 1 44 LEU HA 1 47 ASN H . . 4.380 4.122 4.002 4.238 . 0 0 "[ . 1 . 2]" 1
861 1 44 LEU HA 1 47 ASN HB2 . . 4.860 3.649 3.408 4.164 . 0 0 "[ . 1 . 2]" 1
862 1 44 LEU QB 1 44 LEU MD1 . . 3.160 2.132 2.039 2.232 . 0 0 "[ . 1 . 2]" 1
863 1 44 LEU QB 1 44 LEU MD2 . . 3.220 2.065 1.995 2.101 . 0 0 "[ . 1 . 2]" 1
864 1 44 LEU QB 1 45 VAL H . . 3.310 2.483 2.391 2.605 . 0 0 "[ . 1 . 2]" 1
865 1 44 LEU QB 1 45 VAL MG2 . . 4.220 3.136 3.016 3.267 . 0 0 "[ . 1 . 2]" 1
866 1 44 LEU HB2 1 45 VAL H . . 3.980 3.848 3.778 3.933 . 0 0 "[ . 1 . 2]" 1
867 1 44 LEU HB2 1 45 VAL MG2 . . 4.880 4.673 4.570 4.786 . 0 0 "[ . 1 . 2]" 1
868 1 44 LEU HB3 1 45 VAL H . . 3.980 2.515 2.417 2.643 . 0 0 "[ . 1 . 2]" 1
869 1 44 LEU HB3 1 45 VAL MG2 . . 4.880 3.186 3.060 3.326 . 0 0 "[ . 1 . 2]" 1
870 1 44 LEU MD1 1 48 PHE QD . . 5.110 4.826 4.325 5.087 . 0 0 "[ . 1 . 2]" 1
871 1 44 LEU MD1 1 48 PHE QE . . 3.740 3.172 2.710 3.425 . 0 0 "[ . 1 . 2]" 1
872 1 44 LEU MD1 1 48 PHE HZ . . 4.240 2.091 1.883 2.471 . 0 0 "[ . 1 . 2]" 1
873 1 44 LEU MD2 1 45 VAL H . . 4.360 3.991 3.754 4.311 . 0 0 "[ . 1 . 2]" 1
874 1 44 LEU MD2 1 48 PHE HZ . . 3.880 3.226 3.056 3.452 . 0 0 "[ . 1 . 2]" 1
875 1 44 LEU MD2 1 104 ILE HA . . 4.010 3.953 3.874 4.008 . 0 0 "[ . 1 . 2]" 1
876 1 44 LEU MD2 1 104 ILE MD . . 3.540 2.379 2.193 2.650 . 0 0 "[ . 1 . 2]" 1
877 1 44 LEU MD2 1 104 ILE MG . . 3.430 3.336 3.137 3.432 0.002 15 0 "[ . 1 . 2]" 1
878 1 44 LEU MD2 1 107 PHE QB . . 4.710 4.301 4.125 4.453 . 0 0 "[ . 1 . 2]" 1
879 1 44 LEU MD2 1 107 PHE QD . . 3.960 3.578 3.261 3.871 . 0 0 "[ . 1 . 2]" 1
880 1 44 LEU MD2 1 107 PHE QE . . 4.780 4.331 3.921 4.709 . 0 0 "[ . 1 . 2]" 1
881 1 44 LEU HG 1 45 VAL H . . 4.590 3.742 3.477 4.026 . 0 0 "[ . 1 . 2]" 1
882 1 44 LEU HG 1 45 VAL HA . . 4.560 3.706 3.494 3.999 . 0 0 "[ . 1 . 2]" 1
883 1 44 LEU HG 1 48 PHE QE . . 4.370 2.365 2.162 2.641 . 0 0 "[ . 1 . 2]" 1
884 1 44 LEU HG 1 48 PHE HZ . . 4.070 2.089 1.998 2.271 . 0 0 "[ . 1 . 2]" 1
885 1 45 VAL H 1 45 VAL HB . . 3.180 2.509 2.450 2.555 . 0 0 "[ . 1 . 2]" 1
886 1 45 VAL H 1 45 VAL MG1 . . 4.060 3.766 3.757 3.772 . 0 0 "[ . 1 . 2]" 1
887 1 45 VAL H 1 45 VAL MG2 . . 3.170 2.352 2.247 2.476 . 0 0 "[ . 1 . 2]" 1
888 1 45 VAL H 1 46 HIS H . . 3.290 2.790 2.657 2.872 . 0 0 "[ . 1 . 2]" 1
889 1 45 VAL H 1 46 HIS HB2 . . 5.040 4.931 4.809 5.020 . 0 0 "[ . 1 . 2]" 1
890 1 45 VAL H 1 46 HIS HB3 . . 4.930 4.841 4.682 4.926 . 0 0 "[ . 1 . 2]" 1
891 1 45 VAL HA 1 45 VAL MG1 . . 3.320 2.396 2.280 2.465 . 0 0 "[ . 1 . 2]" 1
892 1 45 VAL HA 1 45 VAL MG2 . . 3.210 2.302 2.233 2.386 . 0 0 "[ . 1 . 2]" 1
893 1 45 VAL HA 1 47 ASN H . . 4.370 4.172 4.027 4.257 . 0 0 "[ . 1 . 2]" 1
894 1 45 VAL HA 1 48 PHE H . . 4.150 3.444 3.379 3.495 . 0 0 "[ . 1 . 2]" 1
895 1 45 VAL HA 1 48 PHE HB2 . . 4.510 3.805 3.663 3.913 . 0 0 "[ . 1 . 2]" 1
896 1 45 VAL HA 1 48 PHE QD . . 4.390 2.168 2.038 2.483 . 0 0 "[ . 1 . 2]" 1
897 1 45 VAL HA 1 48 PHE QE . . 4.180 2.505 2.347 2.785 . 0 0 "[ . 1 . 2]" 1
898 1 45 VAL HA 1 48 PHE HZ . . 4.370 4.357 4.310 4.373 0.003 5 0 "[ . 1 . 2]" 1
899 1 45 VAL HA 1 49 PHE H . . 4.500 4.202 4.074 4.295 . 0 0 "[ . 1 . 2]" 1
900 1 45 VAL HA 1 49 PHE QD . . 4.720 4.252 3.907 4.588 . 0 0 "[ . 1 . 2]" 1
901 1 45 VAL HA 1 107 PHE QE . . 3.570 3.340 3.125 3.519 . 0 0 "[ . 1 . 2]" 1
902 1 45 VAL HB 1 46 HIS H . . 3.540 2.149 2.094 2.236 . 0 0 "[ . 1 . 2]" 1
903 1 45 VAL HB 1 47 ASN H . . 4.800 4.787 4.724 4.807 0.007 4 0 "[ . 1 . 2]" 1
904 1 45 VAL HB 1 53 PHE QE . . 4.700 3.000 2.564 3.332 . 0 0 "[ . 1 . 2]" 1
905 1 45 VAL HB 1 70 ALA HA . . 4.600 3.505 3.114 3.797 . 0 0 "[ . 1 . 2]" 1
906 1 45 VAL MG1 1 46 HIS H . . 4.170 3.035 2.871 3.174 . 0 0 "[ . 1 . 2]" 1
907 1 45 VAL MG1 1 46 HIS HA . . 4.190 3.320 3.102 3.455 . 0 0 "[ . 1 . 2]" 1
908 1 45 VAL MG1 1 49 PHE H . . 4.090 3.212 3.029 3.408 . 0 0 "[ . 1 . 2]" 1
909 1 45 VAL MG1 1 49 PHE QD . . 3.270 2.673 2.420 3.043 . 0 0 "[ . 1 . 2]" 1
910 1 45 VAL MG1 1 53 PHE QE . . 3.640 2.085 1.929 2.363 . 0 0 "[ . 1 . 2]" 1
911 1 45 VAL MG1 1 70 ALA HA . . 3.850 3.459 3.058 3.851 0.001 1 0 "[ . 1 . 2]" 1
912 1 45 VAL MG1 1 73 SER H . . 5.160 4.871 4.640 5.161 0.001 4 0 "[ . 1 . 2]" 1
913 1 45 VAL MG1 1 73 SER HB2 . . 3.750 2.811 2.466 3.132 . 0 0 "[ . 1 . 2]" 1
914 1 45 VAL MG1 1 73 SER QB . . 3.260 2.600 2.196 2.983 . 0 0 "[ . 1 . 2]" 1
915 1 45 VAL MG1 1 73 SER HB3 . . 3.750 3.179 2.440 3.752 0.002 16 0 "[ . 1 . 2]" 1
916 1 45 VAL MG1 1 74 ALA H . . 3.990 3.520 3.327 3.806 . 0 0 "[ . 1 . 2]" 1
917 1 45 VAL MG1 1 74 ALA HA . . 4.190 3.410 3.091 3.546 . 0 0 "[ . 1 . 2]" 1
918 1 45 VAL MG1 1 74 ALA MB . . 3.800 2.894 2.751 3.077 . 0 0 "[ . 1 . 2]" 1
919 1 45 VAL MG1 1 107 PHE QE . . 5.010 3.611 3.340 3.879 . 0 0 "[ . 1 . 2]" 1
920 1 45 VAL MG2 1 46 HIS H . . 4.330 3.670 3.629 3.704 . 0 0 "[ . 1 . 2]" 1
921 1 45 VAL MG2 1 48 PHE HZ . . 4.920 4.890 4.837 4.921 0.001 17 0 "[ . 1 . 2]" 1
922 1 45 VAL MG2 1 70 ALA HA . . 3.970 2.977 2.558 3.459 . 0 0 "[ . 1 . 2]" 1
923 1 45 VAL MG2 1 70 ALA MB . . 3.530 2.462 1.956 2.872 . 0 0 "[ . 1 . 2]" 1
924 1 45 VAL MG2 1 74 ALA H . . 4.300 4.163 3.953 4.295 . 0 0 "[ . 1 . 2]" 1
925 1 45 VAL MG2 1 74 ALA MB . . 3.230 3.000 2.616 3.231 0.001 5 0 "[ . 1 . 2]" 1
926 1 45 VAL MG2 1 107 PHE QE . . 3.800 3.339 2.800 3.592 . 0 0 "[ . 1 . 2]" 1
927 1 46 HIS H 1 46 HIS HB2 . . 3.200 2.385 2.319 2.433 . 0 0 "[ . 1 . 2]" 1
928 1 46 HIS H 1 46 HIS HB3 . . 3.370 2.778 2.728 2.868 . 0 0 "[ . 1 . 2]" 1
929 1 46 HIS H 1 46 HIS HD2 . . 5.140 4.809 4.681 4.915 . 0 0 "[ . 1 . 2]" 1
930 1 46 HIS H 1 47 ASN H . . 3.290 3.018 2.959 3.065 . 0 0 "[ . 1 . 2]" 1
931 1 46 HIS H 1 48 PHE H . . 5.150 4.572 4.494 4.616 . 0 0 "[ . 1 . 2]" 1
932 1 46 HIS H 1 53 PHE QE . . 4.620 2.807 2.430 3.148 . 0 0 "[ . 1 . 2]" 1
933 1 46 HIS HA 1 46 HIS HD2 . . 4.230 2.942 2.581 3.462 . 0 0 "[ . 1 . 2]" 1
934 1 46 HIS HA 1 48 PHE H . . 4.430 4.404 4.302 4.445 0.015 4 0 "[ . 1 . 2]" 1
935 1 46 HIS HA 1 49 PHE H . . 3.810 3.621 3.451 3.804 . 0 0 "[ . 1 . 2]" 1
936 1 46 HIS HA 1 49 PHE HB2 . . 4.920 4.408 4.189 4.645 . 0 0 "[ . 1 . 2]" 1
937 1 46 HIS HA 1 50 PRO HA . . 4.030 2.936 2.624 3.189 . 0 0 "[ . 1 . 2]" 1
938 1 46 HIS HA 1 53 PHE H . . 4.750 4.686 4.513 4.754 0.004 9 0 "[ . 1 . 2]" 1
939 1 46 HIS HA 1 53 PHE QD . . 4.150 3.764 3.573 3.944 . 0 0 "[ . 1 . 2]" 1
940 1 46 HIS HA 1 53 PHE QE . . 4.660 2.182 2.000 2.532 . 0 0 "[ . 1 . 2]" 1
941 1 46 HIS HB2 1 47 ASN H . . 3.910 3.821 3.756 3.896 . 0 0 "[ . 1 . 2]" 1
942 1 46 HIS HB2 1 53 PHE QE . . 4.770 3.075 2.805 3.348 . 0 0 "[ . 1 . 2]" 1
943 1 46 HIS HB2 1 55 TYR QD . . 4.740 3.477 2.886 3.842 . 0 0 "[ . 1 . 2]" 1
944 1 46 HIS HB3 1 47 ASN H . . 3.280 2.568 2.492 2.681 . 0 0 "[ . 1 . 2]" 1
945 1 46 HIS HB3 1 47 ASN HA . . 4.170 4.120 4.039 4.170 0.000 8 0 "[ . 1 . 2]" 1
946 1 46 HIS HB3 1 55 TYR QD . . 4.720 4.072 3.541 4.417 . 0 0 "[ . 1 . 2]" 1
947 1 46 HIS HD2 1 50 PRO HA . . 4.250 2.576 2.110 3.545 . 0 0 "[ . 1 . 2]" 1
948 1 46 HIS HD2 1 53 PHE H . . 4.130 3.718 3.398 4.130 . 13 0 "[ . 1 . 2]" 1
949 1 46 HIS HD2 1 53 PHE QD . . 4.450 3.784 3.378 4.072 . 0 0 "[ . 1 . 2]" 1
950 1 46 HIS HD2 1 53 PHE QE . . 4.820 3.687 3.346 3.949 . 0 0 "[ . 1 . 2]" 1
951 1 46 HIS HD2 1 55 TYR H . . 4.490 3.376 2.555 4.063 . 0 0 "[ . 1 . 2]" 1
952 1 46 HIS HD2 1 55 TYR QB . . 4.700 3.192 2.693 3.621 . 0 0 "[ . 1 . 2]" 1
953 1 46 HIS HE1 1 50 PRO HA . . 4.740 4.157 3.497 4.578 . 0 0 "[ . 1 . 2]" 1
954 1 46 HIS HE1 1 50 PRO HB2 . . 4.700 4.033 3.042 4.616 . 0 0 "[ . 1 . 2]" 1
955 1 46 HIS HE1 1 50 PRO QB . . 4.050 3.305 2.400 3.878 . 0 0 "[ . 1 . 2]" 1
956 1 46 HIS HE1 1 50 PRO HB3 . . 4.700 3.514 2.513 4.168 . 0 0 "[ . 1 . 2]" 1
957 1 46 HIS HE1 1 55 TYR QB . . 4.440 3.471 2.750 4.087 . 0 0 "[ . 1 . 2]" 1
958 1 47 ASN H 1 47 ASN HB2 . . 3.140 2.387 2.218 2.888 . 0 0 "[ . 1 . 2]" 1
959 1 47 ASN H 1 47 ASN HB3 . . 3.220 2.719 2.234 2.918 . 0 0 "[ . 1 . 2]" 1
960 1 47 ASN H 1 47 ASN HD21 . . 5.050 4.827 4.462 4.939 . 0 0 "[ . 1 . 2]" 1
961 1 47 ASN H 1 48 PHE H . . 3.190 2.889 2.819 2.947 . 0 0 "[ . 1 . 2]" 1
962 1 47 ASN HB2 1 48 PHE H . . 4.230 3.699 3.540 4.044 . 0 0 "[ . 1 . 2]" 1
963 1 47 ASN HB2 1 48 PHE QD . . 5.090 4.879 4.565 5.019 . 0 0 "[ . 1 . 2]" 1
964 1 47 ASN HB3 1 48 PHE H . . 3.670 2.484 2.414 2.764 . 0 0 "[ . 1 . 2]" 1
965 1 47 ASN HB3 1 48 PHE QD . . 4.580 3.367 2.896 3.955 . 0 0 "[ . 1 . 2]" 1
966 1 47 ASN HD21 1 48 PHE H . . 4.900 3.941 3.117 4.850 . 0 0 "[ . 1 . 2]" 1
967 1 48 PHE H 1 48 PHE HB2 . . 3.360 2.815 2.772 2.857 . 0 0 "[ . 1 . 2]" 1
968 1 48 PHE H 1 48 PHE HB3 . . 3.710 3.568 3.561 3.580 . 0 0 "[ . 1 . 2]" 1
969 1 48 PHE H 1 48 PHE QD . . 3.420 2.893 2.786 2.937 . 0 0 "[ . 1 . 2]" 1
970 1 48 PHE H 1 48 PHE QE . . 4.410 4.026 3.955 4.063 . 0 0 "[ . 1 . 2]" 1
971 1 48 PHE H 1 49 PHE H . . 3.020 2.733 2.619 2.867 . 0 0 "[ . 1 . 2]" 1
972 1 48 PHE HA 1 48 PHE QD . . 3.450 2.429 2.300 2.553 . 0 0 "[ . 1 . 2]" 1
973 1 48 PHE HB2 1 49 PHE H . . 3.460 2.206 2.013 2.410 . 0 0 "[ . 1 . 2]" 1
974 1 48 PHE HB2 1 49 PHE QD . . 3.610 2.364 2.042 2.636 . 0 0 "[ . 1 . 2]" 1
975 1 48 PHE HB2 1 49 PHE QE . . 4.880 3.000 2.691 3.396 . 0 0 "[ . 1 . 2]" 1
976 1 48 PHE HB2 1 111 LEU MD2 . . 4.420 3.580 3.225 3.797 . 0 0 "[ . 1 . 2]" 1
977 1 48 PHE HB2 1 116 LEU MD1 . . 4.510 3.261 2.963 3.723 . 0 0 "[ . 1 . 2]" 1
978 1 48 PHE HB3 1 49 PHE H . . 4.060 3.616 3.444 3.785 . 0 0 "[ . 1 . 2]" 1
979 1 48 PHE HB3 1 49 PHE QD . . 4.610 3.753 3.445 3.992 . 0 0 "[ . 1 . 2]" 1
980 1 48 PHE HB3 1 49 PHE QE . . 4.360 3.449 3.124 3.732 . 0 0 "[ . 1 . 2]" 1
981 1 48 PHE HB3 1 111 LEU MD2 . . 4.000 3.043 2.824 3.410 . 0 0 "[ . 1 . 2]" 1
982 1 48 PHE HB3 1 116 LEU MD1 . . 3.620 2.119 1.874 2.532 . 0 0 "[ . 1 . 2]" 1
983 1 48 PHE QD 1 107 PHE QE . . 4.370 2.222 1.998 2.629 . 0 0 "[ . 1 . 2]" 1
984 1 48 PHE QD 1 111 LEU MD1 . . 4.340 3.375 3.079 3.588 . 0 0 "[ . 1 . 2]" 1
985 1 48 PHE QD 1 111 LEU MD2 . . 4.210 3.101 2.685 3.324 . 0 0 "[ . 1 . 2]" 1
986 1 48 PHE QD 1 116 LEU HB3 . . 4.520 4.233 3.944 4.479 . 0 0 "[ . 1 . 2]" 1
987 1 48 PHE QD 1 116 LEU MD1 . . 3.970 3.694 3.302 3.971 0.001 11 0 "[ . 1 . 2]" 1
988 1 48 PHE QD 1 116 LEU MD2 . . 4.440 4.061 3.417 4.420 . 0 0 "[ . 1 . 2]" 1
989 1 48 PHE QE 1 107 PHE QE . . 3.520 2.164 2.010 2.474 . 0 0 "[ . 1 . 2]" 1
990 1 48 PHE QE 1 111 LEU MD1 . . 3.530 3.131 2.861 3.347 . 0 0 "[ . 1 . 2]" 1
991 1 48 PHE QE 1 111 LEU MD2 . . 4.490 3.834 3.160 4.125 . 0 0 "[ . 1 . 2]" 1
992 1 48 PHE QE 1 117 VAL MG2 . . 4.560 4.250 3.836 4.508 . 0 0 "[ . 1 . 2]" 1
993 1 48 PHE HZ 1 111 LEU MD1 . . 4.040 3.464 3.230 3.676 . 0 0 "[ . 1 . 2]" 1
994 1 49 PHE H 1 49 PHE HB2 . . 3.630 2.766 2.613 2.876 . 0 0 "[ . 1 . 2]" 1
995 1 49 PHE H 1 49 PHE QD . . 3.730 2.573 2.359 2.980 . 0 0 "[ . 1 . 2]" 1
996 1 49 PHE H 1 49 PHE QE . . 4.810 4.424 4.303 4.688 . 0 0 "[ . 1 . 2]" 1
997 1 49 PHE H 1 50 PRO HD2 . . 4.740 4.327 4.253 4.396 . 0 0 "[ . 1 . 2]" 1
998 1 49 PHE H 1 50 PRO HD3 . . 4.840 3.716 3.592 3.833 . 0 0 "[ . 1 . 2]" 1
999 1 49 PHE H 1 52 ALA MB . . 4.640 4.363 4.179 4.536 . 0 0 "[ . 1 . 2]" 1
1000 1 49 PHE H 1 53 PHE QD . . 5.500 5.488 5.393 5.506 0.006 20 0 "[ . 1 . 2]" 1
1001 1 49 PHE HA 1 49 PHE QD . . 3.790 2.983 2.776 3.110 . 0 0 "[ . 1 . 2]" 1
1002 1 49 PHE HA 1 50 PRO HA . . 4.760 4.583 4.569 4.587 . 0 0 "[ . 1 . 2]" 1
1003 1 49 PHE HA 1 50 PRO HD2 . . 3.730 1.953 1.937 1.959 . 0 0 "[ . 1 . 2]" 1
1004 1 49 PHE HA 1 50 PRO HD3 . . 3.510 2.686 2.640 2.699 . 0 0 "[ . 1 . 2]" 1
1005 1 49 PHE HA 1 50 PRO QG . . 4.560 3.819 3.804 3.824 . 0 0 "[ . 1 . 2]" 1
1006 1 49 PHE HA 1 51 GLU H . . 4.450 3.631 3.374 3.773 . 0 0 "[ . 1 . 2]" 1
1007 1 49 PHE HA 1 52 ALA H . . 5.100 3.919 3.851 3.996 . 0 0 "[ . 1 . 2]" 1
1008 1 49 PHE HB2 1 50 PRO HD2 . . 4.740 4.707 4.658 4.747 0.007 14 0 "[ . 1 . 2]" 1
1009 1 49 PHE HB2 1 52 ALA H . . 4.430 3.721 3.507 3.890 . 0 0 "[ . 1 . 2]" 1
1010 1 49 PHE HB2 1 52 ALA MB . . 3.760 2.148 1.958 2.273 . 0 0 "[ . 1 . 2]" 1
1011 1 49 PHE HB3 1 50 PRO HD3 . . 4.860 4.891 4.845 4.902 0.042 2 0 "[ . 1 . 2]" 1
1012 1 49 PHE HB3 1 52 ALA H . . 4.340 2.933 2.659 3.089 . 0 0 "[ . 1 . 2]" 1
1013 1 49 PHE HB3 1 52 ALA MB . . 3.690 2.071 1.976 2.240 . 0 0 "[ . 1 . 2]" 1
1014 1 49 PHE QD 1 74 ALA HA . . 4.950 4.121 3.898 4.431 . 0 0 "[ . 1 . 2]" 1
1015 1 49 PHE QD 1 78 ALA MB . . 4.610 4.481 4.271 4.612 0.002 19 0 "[ . 1 . 2]" 1
1016 1 49 PHE QD 1 111 LEU MD2 . . 4.610 4.206 3.667 4.499 . 0 0 "[ . 1 . 2]" 1
1017 1 49 PHE QD 1 116 LEU MD1 . . 4.360 3.682 3.426 3.913 . 0 0 "[ . 1 . 2]" 1
1018 1 49 PHE QD 1 116 LEU MD2 . . 5.270 4.199 3.931 4.554 . 0 0 "[ . 1 . 2]" 1
1019 1 49 PHE QE 1 78 ALA MB . . 3.880 3.244 3.007 3.469 . 0 0 "[ . 1 . 2]" 1
1020 1 49 PHE QE 1 111 LEU MD2 . . 3.450 2.565 2.100 2.929 . 0 0 "[ . 1 . 2]" 1
1021 1 49 PHE QE 1 114 LYS QE . . 4.440 3.256 2.294 4.271 . 0 0 "[ . 1 . 2]" 1
1022 1 49 PHE QE 1 116 LEU MD1 . . 3.550 2.581 2.325 2.779 . 0 0 "[ . 1 . 2]" 1
1023 1 49 PHE HZ 1 78 ALA MB . . 4.000 3.465 3.107 3.856 . 0 0 "[ . 1 . 2]" 1
1024 1 49 PHE HZ 1 111 LEU MD2 . . 3.880 2.974 2.438 3.659 . 0 0 "[ . 1 . 2]" 1
1025 1 49 PHE HZ 1 114 LYS QE . . 4.770 2.974 2.507 3.533 . 0 0 "[ . 1 . 2]" 1
1026 1 49 PHE HZ 1 116 LEU MD1 . . 3.530 2.103 1.901 2.360 . 0 0 "[ . 1 . 2]" 1
1027 1 49 PHE HZ 1 116 LEU HG . . 4.550 4.148 3.548 4.490 . 0 0 "[ . 1 . 2]" 1
1028 1 50 PRO HA 1 52 ALA H . . 4.590 4.367 3.886 4.592 0.002 19 0 "[ . 1 . 2]" 1
1029 1 50 PRO QB 1 51 GLU H . . 3.510 3.063 2.941 3.316 . 0 0 "[ . 1 . 2]" 1
1030 1 50 PRO HD2 1 51 GLU H . . 3.260 2.671 2.650 2.700 . 0 0 "[ . 1 . 2]" 1
1031 1 50 PRO HD2 1 52 ALA H . . 4.350 4.228 4.083 4.349 . 0 0 "[ . 1 . 2]" 1
1032 1 50 PRO HD3 1 51 GLU H . . 4.180 3.844 3.837 3.853 . 0 0 "[ . 1 . 2]" 1
1033 1 50 PRO HD3 1 52 ALA H . . 5.500 5.334 5.168 5.482 . 0 0 "[ . 1 . 2]" 1
1034 1 50 PRO QG 1 51 GLU H . . 3.610 2.172 2.026 2.517 . 0 0 "[ . 1 . 2]" 1
1035 1 51 GLU H 1 51 GLU HB2 . . 3.850 3.309 2.330 3.619 . 0 0 "[ . 1 . 2]" 1
1036 1 51 GLU H 1 51 GLU QB . . 3.310 2.535 2.301 2.695 . 0 0 "[ . 1 . 2]" 1
1037 1 51 GLU H 1 51 GLU HB3 . . 3.850 2.878 2.527 3.598 . 0 0 "[ . 1 . 2]" 1
1038 1 51 GLU H 1 51 GLU HG2 . . 4.070 2.353 1.991 3.356 . 0 0 "[ . 1 . 2]" 1
1039 1 51 GLU H 1 51 GLU HG3 . . 4.070 2.890 2.269 3.542 . 0 0 "[ . 1 . 2]" 1
1040 1 51 GLU H 1 52 ALA H . . 3.190 2.562 2.340 2.679 . 0 0 "[ . 1 . 2]" 1
1041 1 51 GLU H 1 52 ALA MB . . 4.410 4.114 3.911 4.229 . 0 0 "[ . 1 . 2]" 1
1042 1 51 GLU H 1 53 PHE H . . 4.760 4.368 4.246 4.461 . 0 0 "[ . 1 . 2]" 1
1043 1 51 GLU HA 1 51 GLU HG2 . . 4.000 3.463 2.266 3.890 . 0 0 "[ . 1 . 2]" 1
1044 1 51 GLU HA 1 51 GLU QG . . 3.450 3.101 2.227 3.339 . 0 0 "[ . 1 . 2]" 1
1045 1 51 GLU HA 1 51 GLU HG3 . . 4.000 3.624 3.233 3.832 . 0 0 "[ . 1 . 2]" 1
1046 1 51 GLU HA 1 53 PHE H . . 4.350 3.993 3.851 4.211 . 0 0 "[ . 1 . 2]" 1
1047 1 51 GLU HB2 1 52 ALA H . . 4.450 3.530 2.554 4.111 . 0 0 "[ . 1 . 2]" 1
1048 1 51 GLU HB3 1 52 ALA H . . 4.450 3.929 3.479 4.289 . 0 0 "[ . 1 . 2]" 1
1049 1 51 GLU QG 1 52 ALA H . . 4.270 2.634 1.936 4.180 . 0 0 "[ . 1 . 2]" 1
1050 1 51 GLU HG2 1 52 ALA H . . 4.880 3.404 2.130 4.881 0.001 13 0 "[ . 1 . 2]" 1
1051 1 51 GLU HG3 1 52 ALA H . . 4.880 2.805 1.965 4.728 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ALA H 1 52 ALA MB . . 2.970 2.084 2.027 2.231 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ALA H 1 53 PHE H . . 3.150 2.883 2.589 3.025 . 0 0 "[ . 1 . 2]" 1
1054 1 52 ALA MB 1 53 PHE H . . 3.350 2.675 2.548 2.793 . 0 0 "[ . 1 . 2]" 1
1055 1 52 ALA MB 1 53 PHE QD . . 3.360 2.190 1.988 2.450 . 0 0 "[ . 1 . 2]" 1
1056 1 52 ALA MB 1 53 PHE QE . . 4.110 3.685 3.216 4.110 . 0 0 "[ . 1 . 2]" 1
1057 1 52 ALA MB 1 73 SER QB . . 4.110 2.732 2.378 3.302 . 0 0 "[ . 1 . 2]" 1
1058 1 52 ALA MB 1 77 HIS HD2 . . 4.730 4.652 4.476 4.734 0.004 4 0 "[ . 1 . 2]" 1
1059 1 53 PHE H 1 53 PHE HB3 . . 4.100 3.319 3.176 3.442 . 0 0 "[ . 1 . 2]" 1
1060 1 53 PHE H 1 54 ASP H . . 4.430 4.308 4.142 4.384 . 0 0 "[ . 1 . 2]" 1
1061 1 53 PHE H 1 54 ASP HA . . 5.160 4.640 4.540 4.712 . 0 0 "[ . 1 . 2]" 1
1062 1 53 PHE HA 1 53 PHE QD . . 4.180 3.686 3.635 3.721 . 0 0 "[ . 1 . 2]" 1
1063 1 53 PHE HA 1 54 ASP H . . 3.420 2.310 2.189 2.444 . 0 0 "[ . 1 . 2]" 1
1064 1 53 PHE HB2 1 54 ASP H . . 3.360 2.743 2.440 3.082 . 0 0 "[ . 1 . 2]" 1
1065 1 53 PHE HB2 1 69 VAL MG1 . . 4.390 2.975 2.608 3.552 . 0 0 "[ . 1 . 2]" 1
1066 1 53 PHE HB3 1 54 ASP H . . 4.170 4.021 3.851 4.173 0.003 4 0 "[ . 1 . 2]" 1
1067 1 53 PHE HB3 1 69 VAL MG1 . . 4.350 3.447 3.096 4.025 . 0 0 "[ . 1 . 2]" 1
1068 1 53 PHE QD 1 54 ASP H . . 4.500 3.672 3.149 4.313 . 0 0 "[ . 1 . 2]" 1
1069 1 53 PHE QD 1 55 TYR HA . . 4.110 3.928 3.695 4.105 . 0 0 "[ . 1 . 2]" 1
1070 1 53 PHE QD 1 58 LEU MD1 . . 3.910 2.565 2.301 2.892 . 0 0 "[ . 1 . 2]" 1
1071 1 53 PHE QD 1 69 VAL MG1 . . 3.760 2.147 1.919 2.457 . 0 0 "[ . 1 . 2]" 1
1072 1 53 PHE QD 1 73 SER QB . . 3.750 2.656 2.031 3.271 . 0 0 "[ . 1 . 2]" 1
1073 1 53 PHE QD 1 73 SER HG . . 4.410 4.059 3.564 4.413 0.003 7 0 "[ . 1 . 2]" 1
1074 1 53 PHE QE 1 55 TYR HA . . 4.230 3.363 2.902 3.882 . 0 0 "[ . 1 . 2]" 1
1075 1 53 PHE QE 1 58 LEU MD1 . . 3.790 2.035 1.829 2.247 . 0 0 "[ . 1 . 2]" 1
1076 1 53 PHE QE 1 69 VAL MG1 . . 4.150 2.673 2.345 3.286 . 0 0 "[ . 1 . 2]" 1
1077 1 53 PHE QE 1 73 SER HB2 . . 4.640 3.781 3.128 4.307 . 0 0 "[ . 1 . 2]" 1
1078 1 53 PHE QE 1 73 SER QB . . 4.000 3.257 2.900 3.630 . 0 0 "[ . 1 . 2]" 1
1079 1 53 PHE QE 1 73 SER HB3 . . 4.640 3.732 2.995 4.353 . 0 0 "[ . 1 . 2]" 1
1080 1 54 ASP H 1 54 ASP HB2 . . 3.390 2.431 2.208 2.726 . 0 0 "[ . 1 . 2]" 1
1081 1 54 ASP H 1 54 ASP HB3 . . 3.650 3.596 3.507 3.644 . 0 0 "[ . 1 . 2]" 1
1082 1 54 ASP H 1 55 TYR H . . 5.100 4.519 4.337 4.590 . 0 0 "[ . 1 . 2]" 1
1083 1 54 ASP HA 1 55 TYR H . . 2.990 2.175 2.139 2.276 . 0 0 "[ . 1 . 2]" 1
1084 1 54 ASP HA 1 55 TYR QB . . 4.820 4.060 4.029 4.083 . 0 0 "[ . 1 . 2]" 1
1085 1 54 ASP HA 1 56 GLY H . . 4.800 4.418 3.764 4.784 . 0 0 "[ . 1 . 2]" 1
1086 1 54 ASP HB2 1 55 TYR H . . 4.680 4.178 3.846 4.397 . 0 0 "[ . 1 . 2]" 1
1087 1 54 ASP HB2 1 57 GLN H . . 4.320 3.613 3.114 4.081 . 0 0 "[ . 1 . 2]" 1
1088 1 54 ASP HB2 1 57 GLN HB2 . . 4.630 2.293 2.001 2.836 . 0 0 "[ . 1 . 2]" 1
1089 1 54 ASP HB2 1 57 GLN HB3 . . 4.630 3.520 3.225 4.042 . 0 0 "[ . 1 . 2]" 1
1090 1 54 ASP HB2 1 57 GLN QE . . 4.510 4.230 3.712 4.509 . 0 0 "[ . 1 . 2]" 1
1091 1 54 ASP HB2 1 57 GLN HG2 . . 4.360 3.126 2.070 4.210 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ASP HB2 1 57 GLN QG . . 3.790 2.236 1.923 2.730 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ASP HB2 1 57 GLN HG3 . . 4.360 2.403 2.000 3.681 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ASP HB3 1 56 GLY H . . 4.270 4.009 3.242 4.249 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ASP HB3 1 57 GLN H . . 4.650 2.806 2.592 3.214 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ASP HB3 1 57 GLN QG . . 4.760 2.243 1.981 2.609 . 0 0 "[ . 1 . 2]" 1
1097 1 55 TYR H 1 55 TYR HB2 . . 3.420 2.799 2.603 2.999 . 0 0 "[ . 1 . 2]" 1
1098 1 55 TYR H 1 55 TYR HB3 . . 3.420 2.403 2.263 2.647 . 0 0 "[ . 1 . 2]" 1
1099 1 55 TYR H 1 55 TYR QD . . 4.230 4.161 4.009 4.251 0.021 18 0 "[ . 1 . 2]" 1
1100 1 55 TYR H 1 56 GLY H . . 3.520 2.613 2.281 2.818 . 0 0 "[ . 1 . 2]" 1
1101 1 55 TYR H 1 57 GLN H . . 4.830 3.693 3.309 3.957 . 0 0 "[ . 1 . 2]" 1
1102 1 55 TYR HA 1 55 TYR QD . . 3.810 2.634 2.233 2.957 . 0 0 "[ . 1 . 2]" 1
1103 1 55 TYR HA 1 57 GLN H . . 4.230 3.941 3.672 4.143 . 0 0 "[ . 1 . 2]" 1
1104 1 55 TYR HA 1 58 LEU H . . 4.150 3.532 3.449 3.668 . 0 0 "[ . 1 . 2]" 1
1105 1 55 TYR HA 1 58 LEU QB . . 4.610 3.664 3.440 3.920 . 0 0 "[ . 1 . 2]" 1
1106 1 55 TYR HA 1 58 LEU MD1 . . 3.480 2.184 1.927 2.491 . 0 0 "[ . 1 . 2]" 1
1107 1 55 TYR HA 1 58 LEU HG . . 3.910 3.200 2.964 3.573 . 0 0 "[ . 1 . 2]" 1
1108 1 55 TYR QB 1 56 GLY H . . 3.540 2.267 2.029 2.907 . 0 0 "[ . 1 . 2]" 1
1109 1 55 TYR HB2 1 56 GLY H . . 4.190 3.731 3.483 4.178 . 0 0 "[ . 1 . 2]" 1
1110 1 55 TYR HB3 1 56 GLY H . . 4.190 2.288 2.043 2.965 . 0 0 "[ . 1 . 2]" 1
1111 1 55 TYR QD 1 56 GLY H . . 4.300 2.970 2.425 3.521 . 0 0 "[ . 1 . 2]" 1
1112 1 55 TYR QD 1 56 GLY HA2 . . 4.830 3.430 2.844 4.005 . 0 0 "[ . 1 . 2]" 1
1113 1 55 TYR QD 1 56 GLY HA3 . . 4.830 4.047 3.454 4.576 . 0 0 "[ . 1 . 2]" 1
1114 1 55 TYR QD 1 58 LEU MD1 . . 3.810 2.807 2.136 3.108 . 0 0 "[ . 1 . 2]" 1
1115 1 55 TYR QE 1 58 LEU MD1 . . 4.720 3.929 3.333 4.364 . 0 0 "[ . 1 . 2]" 1
1116 1 56 GLY H 1 57 GLN H . . 3.290 2.814 2.530 2.943 . 0 0 "[ . 1 . 2]" 1
1117 1 56 GLY H 1 58 LEU H . . 4.600 4.447 4.297 4.556 . 0 0 "[ . 1 . 2]" 1
1118 1 56 GLY QA 1 58 LEU H . . 3.970 3.905 3.823 3.970 . 18 0 "[ . 1 . 2]" 1
1119 1 57 GLN H 1 57 GLN HB2 . . 3.890 2.279 2.178 2.399 . 0 0 "[ . 1 . 2]" 1
1120 1 57 GLN H 1 57 GLN QB . . 3.020 2.253 2.157 2.364 . 0 0 "[ . 1 . 2]" 1
1121 1 57 GLN H 1 57 GLN HB3 . . 3.890 3.541 3.486 3.597 . 0 0 "[ . 1 . 2]" 1
1122 1 57 GLN H 1 57 GLN HG2 . . 4.100 2.874 2.381 3.683 . 0 0 "[ . 1 . 2]" 1
1123 1 57 GLN H 1 57 GLN QG . . 3.420 2.691 2.356 3.420 . 0 0 "[ . 1 . 2]" 1
1124 1 57 GLN H 1 57 GLN HG3 . . 4.100 3.643 2.725 4.057 . 0 0 "[ . 1 . 2]" 1
1125 1 57 GLN H 1 58 LEU HA . . 5.500 5.219 4.931 5.332 . 0 0 "[ . 1 . 2]" 1
1126 1 57 GLN H 1 58 LEU QB . . 4.930 4.719 4.411 4.895 . 0 0 "[ . 1 . 2]" 1
1127 1 57 GLN H 1 58 LEU MD1 . . 4.960 4.803 4.374 4.958 . 0 0 "[ . 1 . 2]" 1
1128 1 57 GLN H 1 58 LEU HG . . 4.250 4.116 3.761 4.251 0.001 17 0 "[ . 1 . 2]" 1
1129 1 57 GLN HA 1 57 GLN HE21 . . 5.220 4.159 2.533 4.823 . 0 0 "[ . 1 . 2]" 1
1130 1 57 GLN HA 1 57 GLN QE . . 4.530 3.769 2.386 4.334 . 0 0 "[ . 1 . 2]" 1
1131 1 57 GLN HA 1 57 GLN HE22 . . 5.220 4.424 2.913 5.212 . 0 0 "[ . 1 . 2]" 1
1132 1 57 GLN HA 1 57 GLN HG2 . . 3.830 2.712 2.190 3.668 . 0 0 "[ . 1 . 2]" 1
1133 1 57 GLN HA 1 57 GLN HG3 . . 3.830 3.541 2.705 3.723 . 0 0 "[ . 1 . 2]" 1
1134 1 57 GLN QB 1 58 LEU H . . 3.670 2.722 2.617 2.842 . 0 0 "[ . 1 . 2]" 1
1135 1 57 GLN QB 1 58 LEU MD2 . . 4.680 3.809 3.562 4.023 . 0 0 "[ . 1 . 2]" 1
1136 1 57 GLN HB2 1 58 LEU H . . 4.280 2.836 2.692 2.995 . 0 0 "[ . 1 . 2]" 1
1137 1 57 GLN HB3 1 58 LEU H . . 4.280 3.523 3.396 3.769 . 0 0 "[ . 1 . 2]" 1
1138 1 58 LEU H 1 58 LEU QB . . 3.070 2.507 2.447 2.577 . 0 0 "[ . 1 . 2]" 1
1139 1 58 LEU H 1 58 LEU MD1 . . 3.430 3.335 3.199 3.430 . 0 0 "[ . 1 . 2]" 1
1140 1 58 LEU H 1 58 LEU MD2 . . 3.860 3.476 3.375 3.597 . 0 0 "[ . 1 . 2]" 1
1141 1 58 LEU H 1 58 LEU HG . . 3.110 2.128 1.974 2.234 . 0 0 "[ . 1 . 2]" 1
1142 1 58 LEU H 1 59 SER H . . 4.850 4.608 4.558 4.636 . 0 0 "[ . 1 . 2]" 1
1143 1 58 LEU HA 1 58 LEU MD1 . . 4.710 3.945 3.916 3.973 . 0 0 "[ . 1 . 2]" 1
1144 1 58 LEU HA 1 58 LEU MD2 . . 3.190 2.342 2.122 2.587 . 0 0 "[ . 1 . 2]" 1
1145 1 58 LEU HA 1 59 SER H . . 3.290 2.441 2.300 2.587 . 0 0 "[ . 1 . 2]" 1
1146 1 58 LEU QB 1 58 LEU MD2 . . 3.250 2.151 2.022 2.271 . 0 0 "[ . 1 . 2]" 1
1147 1 58 LEU QB 1 59 SER H . . 3.390 2.324 2.040 2.634 . 0 0 "[ . 1 . 2]" 1
1148 1 58 LEU MD1 1 66 ASN HA . . 4.350 3.308 2.783 3.844 . 0 0 "[ . 1 . 2]" 1
1149 1 58 LEU MD1 1 69 VAL MG1 . . 3.690 2.254 1.923 2.734 . 0 0 "[ . 1 . 2]" 1
1150 1 58 LEU MD2 1 59 SER H . . 3.730 3.460 3.248 3.630 . 0 0 "[ . 1 . 2]" 1
1151 1 58 LEU MD2 1 65 GLN HB3 . . 5.010 3.648 3.201 4.119 . 0 0 "[ . 1 . 2]" 1
1152 1 58 LEU MD2 1 65 GLN HE21 . . 5.050 3.280 2.065 4.919 . 0 0 "[ . 1 . 2]" 1
1153 1 58 LEU MD2 1 65 GLN HE22 . . 5.050 4.346 3.152 5.049 . 0 0 "[ . 1 . 2]" 1
1154 1 58 LEU MD2 1 65 GLN HG2 . . 4.390 2.815 2.295 3.634 . 0 0 "[ . 1 . 2]" 1
1155 1 58 LEU MD2 1 65 GLN QG . . 3.760 2.571 1.990 2.948 . 0 0 "[ . 1 . 2]" 1
1156 1 58 LEU MD2 1 65 GLN HG3 . . 4.390 3.586 2.032 4.368 . 0 0 "[ . 1 . 2]" 1
1157 1 58 LEU MD2 1 66 ASN H . . 4.870 4.473 4.025 4.787 . 0 0 "[ . 1 . 2]" 1
1158 1 58 LEU MD2 1 66 ASN HA . . 4.110 3.350 2.948 3.914 . 0 0 "[ . 1 . 2]" 1
1159 1 58 LEU MD2 1 69 VAL HB . . 4.490 2.909 2.470 3.493 . 0 0 "[ . 1 . 2]" 1
1160 1 58 LEU MD2 1 69 VAL MG1 . . 3.880 2.286 1.919 2.859 . 0 0 "[ . 1 . 2]" 1
1161 1 58 LEU MD2 1 69 VAL MG2 . . 3.300 2.013 1.735 2.396 . 0 0 "[ . 1 . 2]" 1
1162 1 58 LEU HG 1 59 SER H . . 5.090 4.810 4.692 4.910 . 0 0 "[ . 1 . 2]" 1
1163 1 58 LEU HG 1 69 VAL MG1 . . 4.440 3.841 3.552 4.114 . 0 0 "[ . 1 . 2]" 1
1164 1 59 SER H 1 59 SER HB2 . . 3.560 2.597 2.373 2.695 . 0 0 "[ . 1 . 2]" 1
1165 1 59 SER H 1 59 SER HB3 . . 3.840 3.730 3.582 3.812 . 0 0 "[ . 1 . 2]" 1
1166 1 59 SER H 1 60 PRO QD . . 4.870 4.340 4.313 4.369 . 0 0 "[ . 1 . 2]" 1
1167 1 59 SER H 1 62 ASN H . . 4.570 4.327 4.151 4.446 . 0 0 "[ . 1 . 2]" 1
1168 1 59 SER H 1 62 ASN HB2 . . 4.120 3.132 2.855 3.246 . 0 0 "[ . 1 . 2]" 1
1169 1 59 SER H 1 62 ASN HB3 . . 4.500 4.439 4.155 4.501 0.001 18 0 "[ . 1 . 2]" 1
1170 1 59 SER H 1 62 ASN HD21 . . 4.720 2.833 2.319 3.210 . 0 0 "[ . 1 . 2]" 1
1171 1 59 SER H 1 62 ASN HD22 . . 4.790 4.426 3.779 4.793 0.003 19 0 "[ . 1 . 2]" 1
1172 1 59 SER HA 1 60 PRO HD2 . . 3.380 2.374 2.280 2.438 . 0 0 "[ . 1 . 2]" 1
1173 1 59 SER HA 1 60 PRO HD3 . . 3.380 2.289 2.262 2.313 . 0 0 "[ . 1 . 2]" 1
1174 1 59 SER HA 1 60 PRO HG2 . . 4.710 4.491 4.415 4.544 . 0 0 "[ . 1 . 2]" 1
1175 1 59 SER HA 1 60 PRO HG3 . . 4.710 4.455 4.404 4.494 . 0 0 "[ . 1 . 2]" 1
1176 1 59 SER HA 1 61 GLN H . . 4.730 4.267 3.994 4.516 . 0 0 "[ . 1 . 2]" 1
1177 1 59 SER HA 1 62 ASN H . . 5.100 4.800 4.700 4.888 . 0 0 "[ . 1 . 2]" 1
1178 1 59 SER HA 1 62 ASN HD21 . . 5.160 4.809 4.494 5.161 0.001 6 0 "[ . 1 . 2]" 1
1179 1 59 SER HB2 1 60 PRO QD . . 4.040 3.615 3.484 3.769 . 0 0 "[ . 1 . 2]" 1
1180 1 59 SER HB2 1 61 GLN H . . 4.300 4.065 3.668 4.301 0.001 18 0 "[ . 1 . 2]" 1
1181 1 59 SER HB2 1 61 GLN QB . . 4.570 4.019 3.821 4.305 . 0 0 "[ . 1 . 2]" 1
1182 1 59 SER HB2 1 62 ASN H . . 3.880 3.425 3.205 3.797 . 0 0 "[ . 1 . 2]" 1
1183 1 59 SER HB2 1 62 ASN HB2 . . 4.410 3.219 2.981 3.369 . 0 0 "[ . 1 . 2]" 1
1184 1 59 SER HB2 1 62 ASN HB3 . . 4.940 4.799 4.530 4.933 . 0 0 "[ . 1 . 2]" 1
1185 1 59 SER HB2 1 62 ASN HD21 . . 4.210 2.244 1.907 2.972 . 0 0 "[ . 1 . 2]" 1
1186 1 59 SER HB2 1 62 ASN HD22 . . 4.110 3.292 3.029 3.488 . 0 0 "[ . 1 . 2]" 1
1187 1 59 SER HB3 1 60 PRO HD2 . . 3.900 2.177 2.002 2.431 . 0 0 "[ . 1 . 2]" 1
1188 1 59 SER HB3 1 60 PRO HD3 . . 3.900 3.603 3.453 3.812 . 0 0 "[ . 1 . 2]" 1
1189 1 59 SER HB3 1 61 GLN H . . 3.870 2.754 2.426 3.044 . 0 0 "[ . 1 . 2]" 1
1190 1 59 SER HB3 1 61 GLN HB2 . . 4.960 3.710 3.030 4.522 . 0 0 "[ . 1 . 2]" 1
1191 1 59 SER HB3 1 61 GLN QB . . 4.360 3.184 2.995 3.388 . 0 0 "[ . 1 . 2]" 1
1192 1 59 SER HB3 1 61 GLN HB3 . . 4.960 4.010 3.210 4.885 . 0 0 "[ . 1 . 2]" 1
1193 1 59 SER HB3 1 62 ASN H . . 4.100 3.370 3.041 3.599 . 0 0 "[ . 1 . 2]" 1
1194 1 59 SER HB3 1 62 ASN HD21 . . 4.590 3.826 3.444 4.509 . 0 0 "[ . 1 . 2]" 1
1195 1 59 SER HB3 1 62 ASN HD22 . . 5.000 4.768 4.410 5.001 0.001 19 0 "[ . 1 . 2]" 1
1196 1 60 PRO HA 1 62 ASN H . . 4.100 3.893 3.573 4.099 . 0 0 "[ . 1 . 2]" 1
1197 1 60 PRO HA 1 66 ASN HD21 . . 4.010 3.553 3.127 4.010 . 0 0 "[ . 1 . 2]" 1
1198 1 60 PRO HA 1 66 ASN HD22 . . 3.840 2.257 1.925 2.596 . 0 0 "[ . 1 . 2]" 1
1199 1 60 PRO HB2 1 61 GLN H . . 3.880 3.197 2.954 3.531 . 0 0 "[ . 1 . 2]" 1
1200 1 60 PRO HB2 1 61 GLN HA . . 4.510 4.023 3.933 4.159 . 0 0 "[ . 1 . 2]" 1
1201 1 60 PRO HB3 1 61 GLN H . . 4.260 4.062 3.921 4.256 . 0 0 "[ . 1 . 2]" 1
1202 1 60 PRO QD 1 61 GLN H . . 3.630 2.630 2.605 2.678 . 0 0 "[ . 1 . 2]" 1
1203 1 60 PRO QD 1 62 ASN H . . 4.930 4.270 4.165 4.352 . 0 0 "[ . 1 . 2]" 1
1204 1 60 PRO HD2 1 61 GLN H . . 4.380 2.678 2.650 2.731 . 0 0 "[ . 1 . 2]" 1
1205 1 60 PRO HD3 1 61 GLN H . . 4.380 3.847 3.836 3.864 . 0 0 "[ . 1 . 2]" 1
1206 1 60 PRO QG 1 61 GLN H . . 4.000 2.207 1.956 2.601 . 0 0 "[ . 1 . 2]" 1
1207 1 61 GLN H 1 61 GLN HB2 . . 3.650 2.366 2.178 2.604 . 0 0 "[ . 1 . 2]" 1
1208 1 61 GLN H 1 61 GLN QB . . 2.930 2.222 2.157 2.253 . 0 0 "[ . 1 . 2]" 1
1209 1 61 GLN H 1 61 GLN HB3 . . 3.650 3.006 2.445 3.537 . 0 0 "[ . 1 . 2]" 1
1210 1 61 GLN H 1 61 GLN QG . . 3.990 3.566 2.677 4.003 0.013 19 0 "[ . 1 . 2]" 1
1211 1 61 GLN H 1 62 ASN H . . 3.130 2.685 2.444 2.825 . 0 0 "[ . 1 . 2]" 1
1212 1 61 GLN HA 1 61 GLN QG . . 3.480 2.435 2.208 2.855 . 0 0 "[ . 1 . 2]" 1
1213 1 61 GLN HA 1 63 ARG H . . 5.500 5.042 3.658 5.488 . 0 0 "[ . 1 . 2]" 1
1214 1 61 GLN QB 1 61 GLN QE . . 3.840 3.166 2.210 3.688 . 0 0 "[ . 1 . 2]" 1
1215 1 61 GLN QB 1 62 ASN H . . 3.480 2.918 2.726 3.321 . 0 0 "[ . 1 . 2]" 1
1216 1 61 GLN QB 1 62 ASN HB2 . . 5.270 4.582 4.495 4.794 . 0 0 "[ . 1 . 2]" 1
1217 1 61 GLN HB2 1 62 ASN H . . 4.060 3.645 3.085 4.074 0.014 19 0 "[ . 1 . 2]" 1
1218 1 61 GLN HB3 1 62 ASN H . . 4.060 3.263 2.772 3.972 . 0 0 "[ . 1 . 2]" 1
1219 1 61 GLN QG 1 62 ASN H . . 4.730 4.223 3.536 4.735 0.005 4 0 "[ . 1 . 2]" 1
1220 1 62 ASN H 1 62 ASN HB2 . . 3.280 2.200 2.178 2.264 . 0 0 "[ . 1 . 2]" 1
1221 1 62 ASN H 1 62 ASN HB3 . . 3.520 3.498 3.484 3.533 0.013 6 0 "[ . 1 . 2]" 1
1222 1 62 ASN H 1 63 ARG H . . 4.440 4.235 3.303 4.438 . 0 0 "[ . 1 . 2]" 1
1223 1 62 ASN H 1 66 ASN HD21 . . 4.910 4.664 4.039 4.892 . 0 0 "[ . 1 . 2]" 1
1224 1 62 ASN H 1 66 ASN HD22 . . 3.920 3.696 3.021 3.920 0.000 6 0 "[ . 1 . 2]" 1
1225 1 62 ASN HA 1 62 ASN HD22 . . 5.270 4.385 4.291 4.527 . 0 0 "[ . 1 . 2]" 1
1226 1 62 ASN HA 1 63 ARG H . . 3.050 2.213 2.140 2.660 . 0 0 "[ . 1 . 2]" 1
1227 1 62 ASN HA 1 64 ARG H . . 4.590 3.635 3.196 3.944 . 0 0 "[ . 1 . 2]" 1
1228 1 62 ASN HB2 1 62 ASN HD22 . . 3.630 3.449 3.433 3.533 . 0 0 "[ . 1 . 2]" 1
1229 1 62 ASN HB2 1 63 ARG H . . 4.820 4.544 4.422 4.603 . 0 0 "[ . 1 . 2]" 1
1230 1 62 ASN HB2 1 65 GLN H . . 5.280 4.954 4.643 5.269 . 0 0 "[ . 1 . 2]" 1
1231 1 62 ASN HB2 1 65 GLN HB2 . . 5.500 4.260 3.856 4.768 . 0 0 "[ . 1 . 2]" 1
1232 1 62 ASN HB2 1 65 GLN HB3 . . 4.300 3.271 3.014 3.448 . 0 0 "[ . 1 . 2]" 1
1233 1 62 ASN HB2 1 66 ASN H . . 5.070 3.722 3.595 4.113 . 0 0 "[ . 1 . 2]" 1
1234 1 62 ASN HB3 1 62 ASN HD22 . . 4.060 3.869 3.694 3.942 . 0 0 "[ . 1 . 2]" 1
1235 1 62 ASN HB3 1 63 ARG H . . 4.660 3.851 3.617 4.347 . 0 0 "[ . 1 . 2]" 1
1236 1 62 ASN HB3 1 63 ARG HA . . 5.500 4.805 4.654 5.158 . 0 0 "[ . 1 . 2]" 1
1237 1 62 ASN HB3 1 65 GLN H . . 4.100 3.205 2.895 3.525 . 0 0 "[ . 1 . 2]" 1
1238 1 62 ASN HB3 1 65 GLN HB2 . . 4.020 2.837 2.272 3.354 . 0 0 "[ . 1 . 2]" 1
1239 1 62 ASN HB3 1 65 GLN HB3 . . 3.980 2.126 1.997 2.341 . 0 0 "[ . 1 . 2]" 1
1240 1 62 ASN HB3 1 65 GLN QG . . 4.730 3.988 3.567 4.307 . 0 0 "[ . 1 . 2]" 1
1241 1 62 ASN HB3 1 66 ASN H . . 4.430 2.549 2.302 3.215 . 0 0 "[ . 1 . 2]" 1
1242 1 62 ASN HD21 1 65 GLN HB2 . . 4.640 4.363 3.666 4.642 0.002 18 0 "[ . 1 . 2]" 1
1243 1 62 ASN HD21 1 65 GLN HB3 . . 4.430 3.747 3.162 4.158 . 0 0 "[ . 1 . 2]" 1
1244 1 62 ASN HD22 1 65 GLN HB2 . . 4.530 4.346 4.089 4.526 . 0 0 "[ . 1 . 2]" 1
1245 1 62 ASN HD22 1 65 GLN HB3 . . 4.750 4.408 4.052 4.756 0.006 6 0 "[ . 1 . 2]" 1
1246 1 63 ARG H 1 63 ARG HB2 . . 2.980 2.467 2.249 2.642 . 0 0 "[ . 1 . 2]" 1
1247 1 63 ARG H 1 63 ARG HB3 . . 3.780 3.607 3.532 3.650 . 0 0 "[ . 1 . 2]" 1
1248 1 63 ARG H 1 63 ARG HD2 . . 4.540 3.897 1.993 4.510 . 0 0 "[ . 1 . 2]" 1
1249 1 63 ARG H 1 63 ARG QD . . 3.840 3.149 1.910 3.843 0.003 9 0 "[ . 1 . 2]" 1
1250 1 63 ARG H 1 63 ARG HD3 . . 4.540 3.565 1.918 4.537 . 0 0 "[ . 1 . 2]" 1
1251 1 63 ARG H 1 64 ARG H . . 3.680 2.436 2.204 2.904 . 0 0 "[ . 1 . 2]" 1
1252 1 63 ARG H 1 66 ASN H . . 5.030 4.870 4.673 5.034 0.004 6 0 "[ . 1 . 2]" 1
1253 1 63 ARG HA 1 66 ASN H . . 4.530 4.442 4.063 4.533 0.003 20 0 "[ . 1 . 2]" 1
1254 1 63 ARG HA 1 66 ASN HB2 . . 4.150 3.330 3.109 3.521 . 0 0 "[ . 1 . 2]" 1
1255 1 63 ARG HA 1 66 ASN HD21 . . 4.010 3.276 1.952 3.742 . 0 0 "[ . 1 . 2]" 1
1256 1 63 ARG HA 1 66 ASN HD22 . . 4.830 4.506 3.348 4.829 . 0 0 "[ . 1 . 2]" 1
1257 1 63 ARG HB2 1 63 ARG HD2 . . 3.920 3.108 2.335 3.598 . 0 0 "[ . 1 . 2]" 1
1258 1 63 ARG HB2 1 63 ARG QD . . 3.410 2.500 2.158 3.299 . 0 0 "[ . 1 . 2]" 1
1259 1 63 ARG HB2 1 63 ARG HD3 . . 3.920 2.926 2.179 3.911 . 0 0 "[ . 1 . 2]" 1
1260 1 63 ARG HB2 1 64 ARG H . . 4.510 2.754 2.397 3.123 . 0 0 "[ . 1 . 2]" 1
1261 1 63 ARG HB2 1 64 ARG HA . . 4.590 4.403 4.220 4.596 0.006 19 0 "[ . 1 . 2]" 1
1262 1 63 ARG HB3 1 64 ARG H . . 4.010 3.730 3.280 4.013 0.003 18 0 "[ . 1 . 2]" 1
1263 1 64 ARG H 1 64 ARG HB2 . . 3.840 2.535 2.334 3.474 . 0 0 "[ . 1 . 2]" 1
1264 1 64 ARG H 1 64 ARG QB . . 3.030 2.412 2.213 2.988 . 0 0 "[ . 1 . 2]" 1
1265 1 64 ARG H 1 64 ARG HB3 . . 3.840 3.331 2.469 3.640 . 0 0 "[ . 1 . 2]" 1
1266 1 64 ARG H 1 64 ARG HD2 . . 5.190 4.220 1.898 5.114 . 0 0 "[ . 1 . 2]" 1
1267 1 64 ARG H 1 64 ARG QD . . 4.430 3.560 1.875 4.432 0.002 2 0 "[ . 1 . 2]" 1
1268 1 64 ARG H 1 64 ARG HD3 . . 5.190 4.070 1.898 5.065 . 0 0 "[ . 1 . 2]" 1
1269 1 64 ARG H 1 64 ARG HG2 . . 4.570 3.779 1.876 4.592 0.022 9 0 "[ . 1 . 2]" 1
1270 1 64 ARG H 1 64 ARG QG . . 4.010 2.849 1.867 4.001 . 0 0 "[ . 1 . 2]" 1
1271 1 64 ARG H 1 64 ARG HG3 . . 4.570 3.133 2.349 4.484 . 0 0 "[ . 1 . 2]" 1
1272 1 64 ARG H 1 65 GLN H . . 3.410 2.765 2.632 2.947 . 0 0 "[ . 1 . 2]" 1
1273 1 64 ARG H 1 66 ASN H . . 4.690 4.105 3.678 4.479 . 0 0 "[ . 1 . 2]" 1
1274 1 64 ARG H 1 67 PHE QD . . 5.400 5.126 4.644 5.300 . 0 0 "[ . 1 . 2]" 1
1275 1 64 ARG H 1 90 VAL MG2 . . 3.940 3.696 3.172 3.941 0.001 4 0 "[ . 1 . 2]" 1
1276 1 64 ARG HA 1 64 ARG HD2 . . 4.940 4.367 2.431 4.902 . 0 0 "[ . 1 . 2]" 1
1277 1 64 ARG HA 1 64 ARG QD . . 4.310 3.810 2.368 4.202 . 0 0 "[ . 1 . 2]" 1
1278 1 64 ARG HA 1 64 ARG HD3 . . 4.940 4.300 3.255 4.774 . 0 0 "[ . 1 . 2]" 1
1279 1 64 ARG HA 1 64 ARG HG2 . . 4.150 2.930 2.384 3.823 . 0 0 "[ . 1 . 2]" 1
1280 1 64 ARG HA 1 64 ARG QG . . 3.620 2.518 2.272 3.440 . 0 0 "[ . 1 . 2]" 1
1281 1 64 ARG HA 1 64 ARG HG3 . . 4.150 2.918 2.338 4.226 0.076 15 0 "[ . 1 . 2]" 1
1282 1 64 ARG HA 1 66 ASN H . . 4.970 4.606 4.318 4.965 . 0 0 "[ . 1 . 2]" 1
1283 1 64 ARG HA 1 67 PHE H . . 4.200 3.585 3.471 3.737 . 0 0 "[ . 1 . 2]" 1
1284 1 64 ARG HA 1 67 PHE HB2 . . 4.810 2.993 2.697 3.187 . 0 0 "[ . 1 . 2]" 1
1285 1 64 ARG HA 1 67 PHE QB . . 4.210 2.956 2.670 3.143 . 0 0 "[ . 1 . 2]" 1
1286 1 64 ARG HA 1 67 PHE HB3 . . 4.810 4.594 4.262 4.814 0.004 4 0 "[ . 1 . 2]" 1
1287 1 64 ARG HA 1 67 PHE QD . . 4.120 3.810 2.668 4.066 . 0 0 "[ . 1 . 2]" 1
1288 1 64 ARG HA 1 68 GLU H . . 4.500 3.952 3.558 4.496 . 0 0 "[ . 1 . 2]" 1
1289 1 64 ARG HA 1 86 THR MG . . 4.090 2.729 1.843 3.361 . 0 0 "[ . 1 . 2]" 1
1290 1 64 ARG HA 1 90 VAL MG2 . . 3.410 2.733 2.218 3.116 . 0 0 "[ . 1 . 2]" 1
1291 1 64 ARG QB 1 64 ARG QD . . 3.090 2.161 2.033 2.454 . 0 0 "[ . 1 . 2]" 1
1292 1 64 ARG QB 1 65 GLN H . . 2.950 2.083 1.926 2.355 . 0 0 "[ . 1 . 2]" 1
1293 1 64 ARG QB 1 65 GLN HA . . 4.730 3.761 3.672 4.042 . 0 0 "[ . 1 . 2]" 1
1294 1 64 ARG HB2 1 65 GLN H . . 3.590 2.473 1.958 3.580 . 0 0 "[ . 1 . 2]" 1
1295 1 64 ARG HB3 1 65 GLN H . . 3.590 2.851 1.937 3.615 0.025 15 0 "[ . 1 . 2]" 1
1296 1 64 ARG QG 1 65 GLN H . . 4.040 3.621 1.846 4.070 0.030 4 0 "[ . 1 . 2]" 1
1297 1 64 ARG QG 1 86 THR MG . . 3.820 3.073 2.340 3.826 0.006 15 0 "[ . 1 . 2]" 1
1298 1 64 ARG HG2 1 65 GLN H . . 4.890 4.179 1.866 4.870 . 0 0 "[ . 1 . 2]" 1
1299 1 64 ARG HG2 1 86 THR MG . . 4.550 3.394 2.643 4.483 . 0 0 "[ . 1 . 2]" 1
1300 1 64 ARG HG3 1 65 GLN H . . 4.890 4.151 2.921 4.629 . 0 0 "[ . 1 . 2]" 1
1301 1 64 ARG HG3 1 86 THR MG . . 4.550 3.870 2.463 4.486 . 0 0 "[ . 1 . 2]" 1
1302 1 65 GLN H 1 65 GLN HB2 . . 3.450 2.216 2.166 2.324 . 0 0 "[ . 1 . 2]" 1
1303 1 65 GLN H 1 65 GLN HB3 . . 3.020 2.981 2.856 3.034 0.014 17 0 "[ . 1 . 2]" 1
1304 1 65 GLN H 1 65 GLN HG2 . . 4.760 4.601 4.453 4.670 . 0 0 "[ . 1 . 2]" 1
1305 1 65 GLN H 1 65 GLN HG3 . . 4.760 4.265 4.049 4.606 . 0 0 "[ . 1 . 2]" 1
1306 1 65 GLN H 1 66 ASN H . . 3.240 3.106 3.021 3.213 . 0 0 "[ . 1 . 2]" 1
1307 1 65 GLN H 1 67 PHE H . . 4.740 4.515 4.372 4.607 . 0 0 "[ . 1 . 2]" 1
1308 1 65 GLN HA 1 65 GLN HG2 . . 3.610 3.291 2.826 3.642 0.032 12 0 "[ . 1 . 2]" 1
1309 1 65 GLN HA 1 65 GLN QG . . 3.150 2.368 2.140 2.854 . 0 0 "[ . 1 . 2]" 1
1310 1 65 GLN HA 1 65 GLN HG3 . . 3.610 2.436 2.176 2.996 . 0 0 "[ . 1 . 2]" 1
1311 1 65 GLN HA 1 67 PHE H . . 4.660 4.458 4.308 4.598 . 0 0 "[ . 1 . 2]" 1
1312 1 65 GLN HA 1 68 GLU H . . 4.210 3.650 3.414 4.056 . 0 0 "[ . 1 . 2]" 1
1313 1 65 GLN HA 1 68 GLU HB2 . . 3.510 2.573 2.347 2.995 . 0 0 "[ . 1 . 2]" 1
1314 1 65 GLN HA 1 68 GLU HG2 . . 4.600 4.229 3.433 4.586 . 0 0 "[ . 1 . 2]" 1
1315 1 65 GLN HA 1 68 GLU QG . . 3.750 2.961 2.675 3.573 . 0 0 "[ . 1 . 2]" 1
1316 1 65 GLN HA 1 68 GLU HG3 . . 4.600 3.055 2.699 3.781 . 0 0 "[ . 1 . 2]" 1
1317 1 65 GLN HA 1 69 VAL MG2 . . 3.960 3.071 2.516 3.450 . 0 0 "[ . 1 . 2]" 1
1318 1 65 GLN HB2 1 65 GLN QE . . 4.190 3.562 2.875 4.081 . 0 0 "[ . 1 . 2]" 1
1319 1 65 GLN HB2 1 65 GLN HE22 . . 4.840 4.269 3.763 4.783 . 0 0 "[ . 1 . 2]" 1
1320 1 65 GLN HB2 1 66 ASN H . . 3.800 3.492 3.336 3.667 . 0 0 "[ . 1 . 2]" 1
1321 1 65 GLN HB3 1 65 GLN QE . . 4.460 3.591 2.695 4.102 . 0 0 "[ . 1 . 2]" 1
1322 1 65 GLN HB3 1 65 GLN HE22 . . 5.170 4.621 3.961 5.198 0.028 3 0 "[ . 1 . 2]" 1
1323 1 65 GLN HB3 1 66 ASN H . . 3.380 2.303 2.056 2.511 . 0 0 "[ . 1 . 2]" 1
1324 1 65 GLN HB3 1 66 ASN HA . . 4.820 3.884 3.801 4.013 . 0 0 "[ . 1 . 2]" 1
1325 1 65 GLN QE 1 65 GLN QG . . 3.070 2.122 2.066 2.244 . 0 0 "[ . 1 . 2]" 1
1326 1 65 GLN QE 1 69 VAL MG2 . . 4.240 3.139 1.716 3.893 . 0 0 "[ . 1 . 2]" 1
1327 1 65 GLN HE21 1 69 VAL MG2 . . 5.100 3.280 1.728 4.278 . 0 0 "[ . 1 . 2]" 1
1328 1 65 GLN HE22 1 69 VAL MG2 . . 5.100 4.261 2.833 4.955 . 0 0 "[ . 1 . 2]" 1
1329 1 65 GLN HG2 1 66 ASN H . . 4.670 4.203 3.791 4.672 0.002 1 0 "[ . 1 . 2]" 1
1330 1 65 GLN HG2 1 69 VAL MG2 . . 3.640 2.474 1.834 3.645 0.005 3 0 "[ . 1 . 2]" 1
1331 1 65 GLN HG3 1 66 ASN H . . 4.670 4.471 3.941 4.678 0.008 6 0 "[ . 1 . 2]" 1
1332 1 65 GLN HG3 1 69 VAL MG2 . . 3.640 2.343 1.867 2.706 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ASN H 1 66 ASN HB2 . . 3.430 2.392 2.280 2.537 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ASN H 1 66 ASN HB3 . . 3.710 3.583 3.546 3.610 . 0 0 "[ . 1 . 2]" 1
1335 1 66 ASN H 1 66 ASN HD21 . . 4.480 4.063 3.352 4.324 . 0 0 "[ . 1 . 2]" 1
1336 1 66 ASN H 1 66 ASN HD22 . . 4.810 4.440 3.964 4.675 . 0 0 "[ . 1 . 2]" 1
1337 1 66 ASN H 1 67 PHE H . . 3.410 2.967 2.883 3.074 . 0 0 "[ . 1 . 2]" 1
1338 1 66 ASN H 1 67 PHE QD . . 4.610 4.468 4.238 4.615 0.005 4 0 "[ . 1 . 2]" 1
1339 1 66 ASN H 1 68 GLU H . . 4.830 4.620 4.329 4.830 . 0 0 "[ . 1 . 2]" 1
1340 1 66 ASN HA 1 67 PHE HA . . 5.240 4.736 4.700 4.781 . 0 0 "[ . 1 . 2]" 1
1341 1 66 ASN HA 1 69 VAL H . . 4.720 4.441 4.167 4.703 . 0 0 "[ . 1 . 2]" 1
1342 1 66 ASN HA 1 69 VAL HB . . 3.860 3.371 3.167 3.484 . 0 0 "[ . 1 . 2]" 1
1343 1 66 ASN HA 1 69 VAL MG1 . . 4.560 4.482 4.295 4.561 0.001 5 0 "[ . 1 . 2]" 1
1344 1 66 ASN HA 1 70 ALA H . . 4.390 4.190 4.025 4.379 . 0 0 "[ . 1 . 2]" 1
1345 1 66 ASN HB2 1 67 PHE H . . 3.470 2.564 2.434 2.703 . 0 0 "[ . 1 . 2]" 1
1346 1 66 ASN HB2 1 67 PHE QB . . 5.340 4.387 4.281 4.477 . 0 0 "[ . 1 . 2]" 1
1347 1 66 ASN HB3 1 67 PHE H . . 3.800 3.272 3.131 3.416 . 0 0 "[ . 1 . 2]" 1
1348 1 66 ASN HD21 1 67 PHE H . . 5.120 4.898 4.566 5.026 . 0 0 "[ . 1 . 2]" 1
1349 1 67 PHE H 1 67 PHE HB2 . . 3.750 2.234 2.194 2.281 . 0 0 "[ . 1 . 2]" 1
1350 1 67 PHE H 1 67 PHE QB . . 3.270 2.211 2.173 2.255 . 0 0 "[ . 1 . 2]" 1
1351 1 67 PHE H 1 67 PHE HB3 . . 3.750 3.525 3.499 3.550 . 0 0 "[ . 1 . 2]" 1
1352 1 67 PHE H 1 67 PHE QD . . 3.690 2.282 2.071 2.575 . 0 0 "[ . 1 . 2]" 1
1353 1 67 PHE H 1 68 GLU H . . 3.370 2.768 2.631 2.940 . 0 0 "[ . 1 . 2]" 1
1354 1 67 PHE H 1 69 VAL H . . 4.800 4.530 4.316 4.728 . 0 0 "[ . 1 . 2]" 1
1355 1 67 PHE H 1 86 THR MG . . 4.560 3.865 3.489 4.383 . 0 0 "[ . 1 . 2]" 1
1356 1 67 PHE HA 1 67 PHE QD . . 3.430 3.030 2.859 3.075 . 0 0 "[ . 1 . 2]" 1
1357 1 67 PHE HA 1 68 GLU HA . . 5.500 4.856 4.821 4.891 . 0 0 "[ . 1 . 2]" 1
1358 1 67 PHE HA 1 70 ALA H . . 4.290 3.812 3.457 4.078 . 0 0 "[ . 1 . 2]" 1
1359 1 67 PHE HA 1 70 ALA MB . . 3.870 2.761 2.481 3.030 . 0 0 "[ . 1 . 2]" 1
1360 1 67 PHE HA 1 71 PHE H . . 4.580 4.288 3.902 4.454 . 0 0 "[ . 1 . 2]" 1
1361 1 67 PHE HA 1 71 PHE QD . . 4.400 4.246 3.798 4.403 0.003 15 0 "[ . 1 . 2]" 1
1362 1 67 PHE QB 1 68 GLU HA . . 4.440 3.740 3.689 3.791 . 0 0 "[ . 1 . 2]" 1
1363 1 67 PHE QB 1 68 GLU QG . . 4.450 3.227 3.121 3.393 . 0 0 "[ . 1 . 2]" 1
1364 1 67 PHE QB 1 71 PHE QE . . 4.870 2.371 1.991 4.052 . 0 0 "[ . 1 . 2]" 1
1365 1 67 PHE HB2 1 68 GLU H . . 3.700 2.451 2.295 2.688 . 0 0 "[ . 1 . 2]" 1
1366 1 67 PHE HB2 1 86 THR MG . . 3.650 2.121 1.909 2.701 . 0 0 "[ . 1 . 2]" 1
1367 1 67 PHE HB3 1 68 GLU H . . 3.700 2.981 2.752 3.181 . 0 0 "[ . 1 . 2]" 1
1368 1 67 PHE HB3 1 86 THR MG . . 3.650 2.257 1.814 3.229 . 0 0 "[ . 1 . 2]" 1
1369 1 67 PHE QD 1 68 GLU H . . 4.670 4.274 4.197 4.400 . 0 0 "[ . 1 . 2]" 1
1370 1 67 PHE QD 1 71 PHE QE . . 4.500 2.363 2.010 3.327 . 0 0 "[ . 1 . 2]" 1
1371 1 67 PHE QD 1 71 PHE HZ . . 4.380 3.055 2.432 3.627 . 0 0 "[ . 1 . 2]" 1
1372 1 67 PHE QD 1 86 THR MG . . 3.910 3.136 2.573 3.638 . 0 0 "[ . 1 . 2]" 1
1373 1 67 PHE QD 1 90 VAL MG2 . . 4.460 4.261 3.460 4.463 0.003 15 0 "[ . 1 . 2]" 1
1374 1 68 GLU H 1 68 GLU HB2 . . 3.310 2.686 2.594 2.831 . 0 0 "[ . 1 . 2]" 1
1375 1 68 GLU H 1 68 GLU HB3 . . 3.610 3.590 3.573 3.607 . 0 0 "[ . 1 . 2]" 1
1376 1 68 GLU H 1 68 GLU HG2 . . 3.590 2.294 1.899 2.745 . 0 0 "[ . 1 . 2]" 1
1377 1 68 GLU H 1 68 GLU HG3 . . 3.590 2.691 2.149 3.362 . 0 0 "[ . 1 . 2]" 1
1378 1 68 GLU H 1 69 VAL H . . 3.320 3.115 2.990 3.241 . 0 0 "[ . 1 . 2]" 1
1379 1 68 GLU H 1 69 VAL MG2 . . 4.820 4.551 4.390 4.749 . 0 0 "[ . 1 . 2]" 1
1380 1 68 GLU H 1 86 THR MG . . 4.120 2.823 2.392 3.312 . 0 0 "[ . 1 . 2]" 1
1381 1 68 GLU HA 1 68 GLU HG2 . . 4.030 2.654 2.428 2.963 . 0 0 "[ . 1 . 2]" 1
1382 1 68 GLU HA 1 68 GLU QG . . 3.340 2.592 2.383 2.867 . 0 0 "[ . 1 . 2]" 1
1383 1 68 GLU HA 1 68 GLU HG3 . . 4.030 3.643 3.458 3.833 . 0 0 "[ . 1 . 2]" 1
1384 1 68 GLU HA 1 71 PHE H . . 4.280 3.549 3.412 3.788 . 0 0 "[ . 1 . 2]" 1
1385 1 68 GLU HA 1 71 PHE HB2 . . 4.940 2.804 2.424 3.115 . 0 0 "[ . 1 . 2]" 1
1386 1 68 GLU HA 1 71 PHE QB . . 4.260 2.775 2.403 3.078 . 0 0 "[ . 1 . 2]" 1
1387 1 68 GLU HA 1 71 PHE HB3 . . 4.940 4.431 3.928 4.789 . 0 0 "[ . 1 . 2]" 1
1388 1 68 GLU HA 1 72 SER H . . 4.310 3.748 3.438 4.011 . 0 0 "[ . 1 . 2]" 1
1389 1 68 GLU HB2 1 69 VAL H . . 3.540 2.081 1.918 2.276 . 0 0 "[ . 1 . 2]" 1
1390 1 68 GLU HB2 1 72 SER H . . 5.500 5.404 5.189 5.501 0.001 4 0 "[ . 1 . 2]" 1
1391 1 68 GLU HB3 1 69 VAL H . . 3.680 3.255 3.024 3.477 . 0 0 "[ . 1 . 2]" 1
1392 1 68 GLU HB3 1 86 THR MG . . 5.050 4.699 4.448 5.053 0.003 16 0 "[ . 1 . 2]" 1
1393 1 68 GLU QG 1 69 VAL H . . 3.880 3.727 3.588 3.829 . 0 0 "[ . 1 . 2]" 1
1394 1 68 GLU HG2 1 69 VAL H . . 4.610 4.364 4.081 4.590 . 0 0 "[ . 1 . 2]" 1
1395 1 68 GLU HG2 1 86 THR MG . . 3.700 2.341 1.980 2.831 . 0 0 "[ . 1 . 2]" 1
1396 1 68 GLU HG3 1 69 VAL H . . 4.610 4.098 3.783 4.522 . 0 0 "[ . 1 . 2]" 1
1397 1 68 GLU HG3 1 86 THR MG . . 3.700 3.219 2.705 3.600 . 0 0 "[ . 1 . 2]" 1
1398 1 69 VAL H 1 69 VAL HB . . 3.070 2.615 2.508 2.709 . 0 0 "[ . 1 . 2]" 1
1399 1 69 VAL H 1 69 VAL MG1 . . 3.850 3.772 3.760 3.784 . 0 0 "[ . 1 . 2]" 1
1400 1 69 VAL H 1 69 VAL MG2 . . 3.160 2.086 1.881 2.358 . 0 0 "[ . 1 . 2]" 1
1401 1 69 VAL H 1 70 ALA H . . 3.220 3.007 2.769 3.182 . 0 0 "[ . 1 . 2]" 1
1402 1 69 VAL HA 1 69 VAL MG1 . . 3.400 2.415 2.303 2.500 . 0 0 "[ . 1 . 2]" 1
1403 1 69 VAL HA 1 69 VAL MG2 . . 3.160 2.322 2.179 2.423 . 0 0 "[ . 1 . 2]" 1
1404 1 69 VAL HA 1 70 ALA HA . . 5.070 4.836 4.791 4.907 . 0 0 "[ . 1 . 2]" 1
1405 1 69 VAL HA 1 72 SER H . . 4.580 3.843 3.422 4.193 . 0 0 "[ . 1 . 2]" 1
1406 1 69 VAL HA 1 73 SER H . . 4.370 3.293 2.966 3.634 . 0 0 "[ . 1 . 2]" 1
1407 1 69 VAL HB 1 70 ALA H . . 3.300 2.393 2.138 2.653 . 0 0 "[ . 1 . 2]" 1
1408 1 69 VAL HB 1 70 ALA HA . . 4.400 4.232 4.162 4.308 . 0 0 "[ . 1 . 2]" 1
1409 1 69 VAL HB 1 70 ALA MB . . 4.360 3.902 3.761 4.024 . 0 0 "[ . 1 . 2]" 1
1410 1 69 VAL MG1 1 70 ALA H . . 3.710 3.218 2.643 3.527 . 0 0 "[ . 1 . 2]" 1
1411 1 69 VAL MG1 1 70 ALA HA . . 4.190 3.375 2.909 3.591 . 0 0 "[ . 1 . 2]" 1
1412 1 69 VAL MG1 1 70 ALA MB . . 4.800 4.006 3.699 4.186 . 0 0 "[ . 1 . 2]" 1
1413 1 69 VAL MG1 1 73 SER H . . 4.850 3.533 3.221 3.902 . 0 0 "[ . 1 . 2]" 1
1414 1 69 VAL MG1 1 73 SER QB . . 4.660 3.007 2.036 3.655 . 0 0 "[ . 1 . 2]" 1
1415 1 69 VAL MG1 1 73 SER HG . . 4.410 2.662 1.977 4.324 . 0 0 "[ . 1 . 2]" 1
1416 1 69 VAL MG2 1 70 ALA H . . 4.090 3.783 3.677 3.884 . 0 0 "[ . 1 . 2]" 1
1417 1 70 ALA H 1 70 ALA MB . . 2.950 2.131 2.024 2.223 . 0 0 "[ . 1 . 2]" 1
1418 1 70 ALA H 1 71 PHE H . . 3.450 2.817 2.625 3.020 . 0 0 "[ . 1 . 2]" 1
1419 1 70 ALA H 1 72 SER H . . 4.920 4.680 4.225 4.922 0.002 11 0 "[ . 1 . 2]" 1
1420 1 70 ALA HA 1 73 SER QB . . 4.310 3.261 2.715 3.891 . 0 0 "[ . 1 . 2]" 1
1421 1 70 ALA HA 1 73 SER HG . . 4.970 3.468 2.025 4.515 . 0 0 "[ . 1 . 2]" 1
1422 1 70 ALA MB 1 71 PHE H . . 3.240 2.569 2.258 2.771 . 0 0 "[ . 1 . 2]" 1
1423 1 70 ALA MB 1 71 PHE HA . . 4.880 3.773 3.694 3.896 . 0 0 "[ . 1 . 2]" 1
1424 1 70 ALA MB 1 72 SER H . . 5.160 4.864 4.696 5.048 . 0 0 "[ . 1 . 2]" 1
1425 1 71 PHE H 1 71 PHE QB . . 3.450 2.337 2.236 2.416 . 0 0 "[ . 1 . 2]" 1
1426 1 71 PHE H 1 71 PHE QD . . 3.670 3.094 2.168 3.342 . 0 0 "[ . 1 . 2]" 1
1427 1 71 PHE H 1 72 SER H . . 3.350 2.798 2.463 3.074 . 0 0 "[ . 1 . 2]" 1
1428 1 71 PHE H 1 73 SER H . . 4.470 4.296 4.079 4.411 . 0 0 "[ . 1 . 2]" 1
1429 1 71 PHE HA 1 71 PHE QD . . 3.890 2.211 2.026 2.558 . 0 0 "[ . 1 . 2]" 1
1430 1 71 PHE HA 1 74 ALA H . . 4.630 3.843 3.682 4.003 . 0 0 "[ . 1 . 2]" 1
1431 1 71 PHE HA 1 74 ALA MB . . 4.330 3.143 2.746 3.423 . 0 0 "[ . 1 . 2]" 1
1432 1 71 PHE QB 1 72 SER H . . 3.380 2.198 1.999 2.532 . 0 0 "[ . 1 . 2]" 1
1433 1 71 PHE HB2 1 72 SER H . . 3.920 2.252 2.031 2.606 . 0 0 "[ . 1 . 2]" 1
1434 1 71 PHE HB3 1 72 SER H . . 3.920 3.089 2.731 3.443 . 0 0 "[ . 1 . 2]" 1
1435 1 71 PHE QD 1 72 SER H . . 4.750 4.136 3.974 4.367 . 0 0 "[ . 1 . 2]" 1
1436 1 71 PHE QD 1 86 THR H . . 4.900 4.679 4.260 4.875 . 0 0 "[ . 1 . 2]" 1
1437 1 71 PHE QE 1 84 LEU QB . . 4.810 3.043 2.440 3.302 . 0 0 "[ . 1 . 2]" 1
1438 1 71 PHE QE 1 84 LEU MD1 . . 4.200 2.366 1.965 3.177 . 0 0 "[ . 1 . 2]" 1
1439 1 71 PHE QE 1 86 THR H . . 5.070 3.676 3.144 3.938 . 0 0 "[ . 1 . 2]" 1
1440 1 71 PHE QE 1 86 THR HB . . 4.760 4.531 4.268 4.763 0.003 16 0 "[ . 1 . 2]" 1
1441 1 71 PHE QE 1 86 THR MG . . 4.470 3.447 3.014 4.431 . 0 0 "[ . 1 . 2]" 1
1442 1 71 PHE HZ 1 84 LEU HB2 . . 4.870 2.283 1.998 2.823 . 0 0 "[ . 1 . 2]" 1
1443 1 71 PHE HZ 1 84 LEU QB . . 4.070 2.241 1.962 2.743 . 0 0 "[ . 1 . 2]" 1
1444 1 71 PHE HZ 1 84 LEU HB3 . . 4.870 3.337 2.690 3.730 . 0 0 "[ . 1 . 2]" 1
1445 1 71 PHE HZ 1 84 LEU MD1 . . 3.970 2.069 1.861 2.465 . 0 0 "[ . 1 . 2]" 1
1446 1 72 SER H 1 72 SER HB2 . . 3.730 2.615 2.289 3.596 . 0 0 "[ . 1 . 2]" 1
1447 1 72 SER H 1 72 SER QB . . 3.160 2.380 2.197 2.596 . 0 0 "[ . 1 . 2]" 1
1448 1 72 SER H 1 72 SER HB3 . . 3.730 3.162 2.508 3.612 . 0 0 "[ . 1 . 2]" 1
1449 1 72 SER H 1 73 SER H . . 3.280 2.989 2.713 3.160 . 0 0 "[ . 1 . 2]" 1
1450 1 72 SER H 1 73 SER HG . . 4.970 4.824 4.167 4.958 . 0 0 "[ . 1 . 2]" 1
1451 1 72 SER H 1 74 ALA H . . 4.620 4.322 3.956 4.524 . 0 0 "[ . 1 . 2]" 1
1452 1 72 SER H 1 74 ALA MB . . 5.170 4.979 4.749 5.158 . 0 0 "[ . 1 . 2]" 1
1453 1 72 SER H 1 82 GLN HE21 . . 5.180 4.247 3.701 4.970 . 0 0 "[ . 1 . 2]" 1
1454 1 72 SER H 1 82 GLN HE22 . . 5.180 4.642 3.501 5.188 0.008 17 0 "[ . 1 . 2]" 1
1455 1 72 SER H 1 82 GLN QG . . 5.340 5.024 4.196 5.343 0.003 7 0 "[ . 1 . 2]" 1
1456 1 72 SER HA 1 75 GLU H . . 4.630 3.471 3.202 3.700 . 0 0 "[ . 1 . 2]" 1
1457 1 72 SER HA 1 75 GLU HB2 . . 4.440 3.555 3.211 4.005 . 0 0 "[ . 1 . 2]" 1
1458 1 72 SER HA 1 75 GLU HB3 . . 4.390 2.625 2.310 2.791 . 0 0 "[ . 1 . 2]" 1
1459 1 72 SER HA 1 82 GLN HE21 . . 4.090 3.265 2.775 3.650 . 0 0 "[ . 1 . 2]" 1
1460 1 72 SER HA 1 82 GLN HE22 . . 4.090 3.736 3.226 4.079 . 0 0 "[ . 1 . 2]" 1
1461 1 72 SER QB 1 73 SER HA . . 4.390 3.879 3.746 4.214 . 0 0 "[ . 1 . 2]" 1
1462 1 72 SER QB 1 82 GLN QE . . 4.530 4.278 3.698 4.530 . 9 0 "[ . 1 . 2]" 1
1463 1 72 SER HB2 1 73 SER H . . 3.860 2.876 2.179 3.745 . 0 0 "[ . 1 . 2]" 1
1464 1 72 SER HB3 1 73 SER H . . 3.860 2.972 2.140 3.810 . 0 0 "[ . 1 . 2]" 1
1465 1 73 SER H 1 73 SER QB . . 3.240 2.454 2.256 2.580 . 0 0 "[ . 1 . 2]" 1
1466 1 73 SER H 1 73 SER HG . . 3.240 2.426 1.913 3.051 . 0 0 "[ . 1 . 2]" 1
1467 1 73 SER H 1 74 ALA H . . 3.380 2.997 2.778 3.122 . 0 0 "[ . 1 . 2]" 1
1468 1 73 SER H 1 74 ALA MB . . 4.950 4.615 4.389 4.718 . 0 0 "[ . 1 . 2]" 1
1469 1 73 SER H 1 75 GLU H . . 5.280 4.765 4.516 5.040 . 0 0 "[ . 1 . 2]" 1
1470 1 73 SER QB 1 74 ALA H . . 3.690 2.875 2.322 3.562 . 0 0 "[ . 1 . 2]" 1
1471 1 73 SER HB2 1 74 ALA H . . 4.480 3.059 2.375 3.953 . 0 0 "[ . 1 . 2]" 1
1472 1 73 SER HB3 1 74 ALA H . . 4.480 3.646 3.280 4.154 . 0 0 "[ . 1 . 2]" 1
1473 1 73 SER HG 1 74 ALA H . . 4.440 3.748 2.161 4.422 . 0 0 "[ . 1 . 2]" 1
1474 1 74 ALA H 1 74 ALA MB . . 3.000 2.140 2.026 2.257 . 0 0 "[ . 1 . 2]" 1
1475 1 74 ALA H 1 75 GLU H . . 3.460 2.777 2.494 2.935 . 0 0 "[ . 1 . 2]" 1
1476 1 74 ALA H 1 75 GLU HB3 . . 5.050 4.770 4.561 5.019 . 0 0 "[ . 1 . 2]" 1
1477 1 74 ALA H 1 76 THR H . . 4.840 3.826 3.603 4.082 . 0 0 "[ . 1 . 2]" 1
1478 1 74 ALA HA 1 76 THR H . . 4.680 3.787 3.620 3.986 . 0 0 "[ . 1 . 2]" 1
1479 1 74 ALA HA 1 77 HIS H . . 4.760 4.108 3.895 4.222 . 0 0 "[ . 1 . 2]" 1
1480 1 74 ALA HA 1 78 ALA H . . 3.930 3.748 3.548 3.919 . 0 0 "[ . 1 . 2]" 1
1481 1 74 ALA HA 1 78 ALA MB . . 3.770 2.867 2.684 3.199 . 0 0 "[ . 1 . 2]" 1
1482 1 74 ALA HA 1 79 ASP H . . 5.500 5.064 4.874 5.302 . 0 0 "[ . 1 . 2]" 1
1483 1 74 ALA HA 1 107 PHE QE . . 4.210 3.699 3.335 3.882 . 0 0 "[ . 1 . 2]" 1
1484 1 74 ALA MB 1 75 GLU H . . 3.580 2.266 2.050 2.507 . 0 0 "[ . 1 . 2]" 1
1485 1 74 ALA MB 1 75 GLU HA . . 4.750 3.654 3.539 3.762 . 0 0 "[ . 1 . 2]" 1
1486 1 74 ALA MB 1 78 ALA H . . 4.490 4.265 4.105 4.415 . 0 0 "[ . 1 . 2]" 1
1487 1 74 ALA MB 1 78 ALA MB . . 3.610 2.541 2.229 2.820 . 0 0 "[ . 1 . 2]" 1
1488 1 74 ALA MB 1 79 ASP H . . 4.930 4.540 4.247 4.900 . 0 0 "[ . 1 . 2]" 1
1489 1 74 ALA MB 1 80 CYS H . . 4.460 3.439 3.232 3.672 . 0 0 "[ . 1 . 2]" 1
1490 1 74 ALA MB 1 80 CYS HB2 . . 3.810 3.394 2.907 3.812 0.002 5 0 "[ . 1 . 2]" 1
1491 1 74 ALA MB 1 80 CYS QB . . 3.310 2.623 2.169 2.906 . 0 0 "[ . 1 . 2]" 1
1492 1 74 ALA MB 1 80 CYS HB3 . . 3.810 2.747 2.206 3.040 . 0 0 "[ . 1 . 2]" 1
1493 1 74 ALA MB 1 103 TYR QE . . 4.390 4.246 3.982 4.396 0.006 5 0 "[ . 1 . 2]" 1
1494 1 74 ALA MB 1 103 TYR HH . . 3.610 3.029 2.681 3.405 . 0 0 "[ . 1 . 2]" 1
1495 1 74 ALA MB 1 107 PHE QD . . 3.640 3.542 3.198 3.642 0.002 10 0 "[ . 1 . 2]" 1
1496 1 74 ALA MB 1 107 PHE QE . . 4.510 2.106 1.944 2.351 . 0 0 "[ . 1 . 2]" 1
1497 1 75 GLU H 1 75 GLU HB2 . . 3.270 2.490 2.331 2.692 . 0 0 "[ . 1 . 2]" 1
1498 1 75 GLU H 1 75 GLU HB3 . . 3.320 2.598 2.385 2.790 . 0 0 "[ . 1 . 2]" 1
1499 1 75 GLU H 1 75 GLU QG . . 4.480 3.978 3.917 4.059 . 0 0 "[ . 1 . 2]" 1
1500 1 75 GLU H 1 76 THR H . . 3.420 2.832 2.678 2.958 . 0 0 "[ . 1 . 2]" 1
1501 1 75 GLU HA 1 75 GLU QG . . 3.540 2.472 2.330 2.610 . 0 0 "[ . 1 . 2]" 1
1502 1 75 GLU HA 1 78 ALA H . . 4.910 3.890 3.675 4.070 . 0 0 "[ . 1 . 2]" 1
1503 1 75 GLU HA 1 79 ASP H . . 4.230 2.296 1.955 2.644 . 0 0 "[ . 1 . 2]" 1
1504 1 75 GLU HA 1 79 ASP HB2 . . 5.100 4.385 4.172 4.569 . 0 0 "[ . 1 . 2]" 1
1505 1 75 GLU HA 1 80 CYS H . . 3.110 1.977 1.898 2.127 . 0 0 "[ . 1 . 2]" 1
1506 1 75 GLU HA 1 80 CYS QB . . 3.990 3.636 3.482 3.877 . 0 0 "[ . 1 . 2]" 1
1507 1 75 GLU HB2 1 76 THR H . . 4.630 4.101 3.904 4.205 . 0 0 "[ . 1 . 2]" 1
1508 1 75 GLU HB2 1 80 CYS H . . 4.060 3.546 3.321 3.909 . 0 0 "[ . 1 . 2]" 1
1509 1 75 GLU HB3 1 76 THR H . . 3.490 3.007 2.757 3.234 . 0 0 "[ . 1 . 2]" 1
1510 1 75 GLU QG 1 76 THR H . . 4.170 3.979 3.738 4.170 . 0 0 "[ . 1 . 2]" 1
1511 1 75 GLU QG 1 76 THR HA . . 4.590 4.059 3.703 4.428 . 0 0 "[ . 1 . 2]" 1
1512 1 75 GLU QG 1 79 ASP H . . 5.150 3.703 3.448 3.967 . 0 0 "[ . 1 . 2]" 1
1513 1 75 GLU QG 1 80 CYS H . . 3.980 3.633 3.222 3.980 . 0 0 "[ . 1 . 2]" 1
1514 1 76 THR H 1 76 THR HB . . 3.180 2.722 2.593 2.831 . 0 0 "[ . 1 . 2]" 1
1515 1 76 THR H 1 76 THR MG . . 3.780 3.760 3.735 3.780 . 0 0 "[ . 1 . 2]" 1
1516 1 76 THR H 1 77 HIS H . . 3.410 3.187 2.964 3.347 . 0 0 "[ . 1 . 2]" 1
1517 1 76 THR H 1 77 HIS HD2 . . 5.060 4.807 4.599 5.061 0.001 16 0 "[ . 1 . 2]" 1
1518 1 76 THR H 1 78 ALA H . . 4.670 3.833 3.538 3.992 . 0 0 "[ . 1 . 2]" 1
1519 1 76 THR HA 1 76 THR MG . . 3.210 2.367 2.266 2.442 . 0 0 "[ . 1 . 2]" 1
1520 1 76 THR HB 1 77 HIS H . . 3.350 2.013 1.907 2.225 . 0 0 "[ . 1 . 2]" 1
1521 1 76 THR HB 1 77 HIS HB3 . . 4.520 4.401 4.264 4.518 . 0 0 "[ . 1 . 2]" 1
1522 1 76 THR HB 1 77 HIS HD2 . . 4.230 3.655 3.355 4.075 . 0 0 "[ . 1 . 2]" 1
1523 1 76 THR HB 1 78 ALA H . . 4.830 3.752 3.609 3.945 . 0 0 "[ . 1 . 2]" 1
1524 1 76 THR MG 1 77 HIS H . . 4.010 3.073 2.898 3.339 . 0 0 "[ . 1 . 2]" 1
1525 1 76 THR MG 1 77 HIS HA . . 4.030 3.762 3.619 4.010 . 0 0 "[ . 1 . 2]" 1
1526 1 76 THR MG 1 77 HIS HE1 . . 4.480 3.859 3.593 4.102 . 0 0 "[ . 1 . 2]" 1
1527 1 77 HIS H 1 77 HIS HB2 . . 3.760 3.566 3.551 3.590 . 0 0 "[ . 1 . 2]" 1
1528 1 77 HIS H 1 77 HIS HB3 . . 3.850 3.367 3.318 3.433 . 0 0 "[ . 1 . 2]" 1
1529 1 77 HIS H 1 77 HIS HD2 . . 3.780 2.348 2.142 2.652 . 0 0 "[ . 1 . 2]" 1
1530 1 77 HIS H 1 77 HIS HE1 . . 4.810 4.762 4.669 4.810 0.000 7 0 "[ . 1 . 2]" 1
1531 1 77 HIS H 1 78 ALA H . . 3.210 1.938 1.845 2.005 . 0 0 "[ . 1 . 2]" 1
1532 1 77 HIS H 1 78 ALA HA . . 4.680 4.650 4.593 4.681 0.001 15 0 "[ . 1 . 2]" 1
1533 1 77 HIS H 1 78 ALA MB . . 4.230 3.660 3.546 3.728 . 0 0 "[ . 1 . 2]" 1
1534 1 77 HIS H 1 79 ASP H . . 4.470 3.567 3.378 3.713 . 0 0 "[ . 1 . 2]" 1
1535 1 77 HIS HA 1 79 ASP H . . 4.990 4.038 3.776 4.314 . 0 0 "[ . 1 . 2]" 1
1536 1 77 HIS HB2 1 78 ALA H . . 3.920 3.742 3.623 3.901 . 0 0 "[ . 1 . 2]" 1
1537 1 77 HIS HB3 1 78 ALA H . . 4.480 4.350 4.285 4.445 . 0 0 "[ . 1 . 2]" 1
1538 1 77 HIS HD2 1 78 ALA HA . . 4.300 3.758 3.632 3.860 . 0 0 "[ . 1 . 2]" 1
1539 1 77 HIS HD2 1 78 ALA MB . . 4.890 2.548 2.420 2.756 . 0 0 "[ . 1 . 2]" 1
1540 1 78 ALA H 1 78 ALA MB . . 2.990 2.222 2.079 2.321 . 0 0 "[ . 1 . 2]" 1
1541 1 78 ALA H 1 79 ASP HB2 . . 4.820 4.761 4.602 4.819 . 0 0 "[ . 1 . 2]" 1
1542 1 78 ALA H 1 80 CYS H . . 4.820 4.463 4.167 4.674 . 0 0 "[ . 1 . 2]" 1
1543 1 78 ALA HA 1 79 ASP HB2 . . 4.570 4.544 4.432 4.584 0.014 10 0 "[ . 1 . 2]" 1
1544 1 78 ALA HA 1 79 ASP HB3 . . 4.840 4.825 4.743 4.850 0.010 10 0 "[ . 1 . 2]" 1
1545 1 78 ALA HA 1 114 LYS QD . . 3.850 3.511 2.585 3.853 0.003 17 0 "[ . 1 . 2]" 1
1546 1 78 ALA HA 1 114 LYS QE . . 3.680 2.864 1.925 3.655 . 0 0 "[ . 1 . 2]" 1
1547 1 78 ALA HA 1 114 LYS QG . . 4.260 3.657 3.105 4.264 0.004 7 0 "[ . 1 . 2]" 1
1548 1 78 ALA MB 1 79 ASP H . . 3.330 2.930 2.703 3.177 . 0 0 "[ . 1 . 2]" 1
1549 1 78 ALA MB 1 80 CYS H . . 3.890 2.901 2.416 3.150 . 0 0 "[ . 1 . 2]" 1
1550 1 78 ALA MB 1 80 CYS HB2 . . 3.980 3.099 2.803 3.984 0.004 5 0 "[ . 1 . 2]" 1
1551 1 78 ALA MB 1 80 CYS HB3 . . 3.980 3.486 2.474 3.882 . 0 0 "[ . 1 . 2]" 1
1552 1 78 ALA MB 1 107 PHE QD . . 3.730 3.523 3.281 3.731 0.001 19 0 "[ . 1 . 2]" 1
1553 1 78 ALA MB 1 107 PHE QE . . 3.960 2.039 1.827 2.400 . 0 0 "[ . 1 . 2]" 1
1554 1 78 ALA MB 1 110 CYS HB2 . . 3.990 3.578 2.959 3.990 0.000 2 0 "[ . 1 . 2]" 1
1555 1 78 ALA MB 1 110 CYS QB . . 3.350 3.157 2.856 3.349 . 0 0 "[ . 1 . 2]" 1
1556 1 78 ALA MB 1 110 CYS HB3 . . 3.990 3.628 3.233 3.993 0.003 7 0 "[ . 1 . 2]" 1
1557 1 78 ALA MB 1 111 LEU MD2 . . 3.410 3.348 3.097 3.412 0.002 9 0 "[ . 1 . 2]" 1
1558 1 78 ALA MB 1 114 LYS QE . . 4.260 3.324 2.477 4.102 . 0 0 "[ . 1 . 2]" 1
1559 1 78 ALA MB 1 116 LEU MD1 . . 4.540 4.446 4.299 4.542 0.002 17 0 "[ . 1 . 2]" 1
1560 1 79 ASP H 1 79 ASP HB2 . . 4.140 2.904 2.781 3.041 . 0 0 "[ . 1 . 2]" 1
1561 1 79 ASP H 1 80 CYS H . . 3.470 2.939 2.681 3.071 . 0 0 "[ . 1 . 2]" 1
1562 1 79 ASP HB2 1 80 CYS H . . 5.440 4.586 4.439 4.621 . 0 0 "[ . 1 . 2]" 1
1563 1 79 ASP HB3 1 80 CYS H . . 5.250 4.262 4.056 4.310 . 0 0 "[ . 1 . 2]" 1
1564 1 80 CYS H 1 80 CYS HB2 . . 3.480 2.856 2.632 3.529 0.049 5 0 "[ . 1 . 2]" 1
1565 1 80 CYS H 1 80 CYS HB3 . . 3.480 2.361 2.216 2.521 . 0 0 "[ . 1 . 2]" 1
1566 1 80 CYS H 1 81 PRO HD2 . . 5.040 4.824 4.781 4.838 . 0 0 "[ . 1 . 2]" 1
1567 1 80 CYS H 1 81 PRO HD3 . . 5.040 4.908 4.847 4.941 . 0 0 "[ . 1 . 2]" 1
1568 1 80 CYS H 1 107 PHE QD . . 5.490 4.763 4.434 4.978 . 0 0 "[ . 1 . 2]" 1
1569 1 80 CYS HA 1 81 PRO HD2 . . 3.430 2.176 2.111 2.224 . 0 0 "[ . 1 . 2]" 1
1570 1 80 CYS HA 1 81 PRO HD3 . . 3.430 2.252 2.250 2.257 . 0 0 "[ . 1 . 2]" 1
1571 1 80 CYS HA 1 81 PRO HG2 . . 4.610 4.333 4.280 4.370 . 0 0 "[ . 1 . 2]" 1
1572 1 80 CYS HA 1 81 PRO HG3 . . 4.610 4.358 4.334 4.377 . 0 0 "[ . 1 . 2]" 1
1573 1 80 CYS HA 1 106 GLU QG . . 4.520 4.411 4.221 4.518 . 0 0 "[ . 1 . 2]" 1
1574 1 80 CYS QB 1 81 PRO QD . . 4.450 3.093 2.329 3.290 . 0 0 "[ . 1 . 2]" 1
1575 1 80 CYS QB 1 107 PHE HA . . 4.660 3.567 2.933 3.805 . 0 0 "[ . 1 . 2]" 1
1576 1 80 CYS QB 1 107 PHE QD . . 3.800 2.126 1.935 2.271 . 0 0 "[ . 1 . 2]" 1
1577 1 80 CYS HB2 1 107 PHE HA . . 5.500 3.655 3.016 3.902 . 0 0 "[ . 1 . 2]" 1
1578 1 80 CYS HB2 1 107 PHE QD . . 4.410 2.167 2.021 2.306 . 0 0 "[ . 1 . 2]" 1
1579 1 80 CYS HB3 1 107 PHE HA . . 5.500 4.985 4.007 5.281 . 0 0 "[ . 1 . 2]" 1
1580 1 80 CYS HB3 1 107 PHE QD . . 4.410 3.241 2.215 3.643 . 0 0 "[ . 1 . 2]" 1
1581 1 80 CYS HG 1 103 TYR QD . . 4.800 3.903 3.559 4.239 . 0 0 "[ . 1 . 2]" 1
1582 1 80 CYS HG 1 103 TYR QE . . 3.680 2.619 1.998 3.358 . 0 0 "[ . 1 . 2]" 1
1583 1 81 PRO HA 1 82 GLN H . . 2.900 2.250 2.151 2.367 . 0 0 "[ . 1 . 2]" 1
1584 1 81 PRO HA 1 82 GLN HA . . 4.640 4.496 4.375 4.603 . 0 0 "[ . 1 . 2]" 1
1585 1 81 PRO QB 1 82 GLN H . . 3.870 3.638 3.107 3.875 0.005 11 0 "[ . 1 . 2]" 1
1586 1 81 PRO QB 1 83 LEU MD2 . . 4.120 2.424 1.971 2.931 . 0 0 "[ . 1 . 2]" 1
1587 1 81 PRO QD 1 106 GLU QG . . 3.600 2.590 2.433 2.699 . 0 0 "[ . 1 . 2]" 1
1588 1 81 PRO HD2 1 106 GLU HG2 . . 4.720 3.339 2.935 3.922 . 0 0 "[ . 1 . 2]" 1
1589 1 81 PRO HD2 1 106 GLU HG3 . . 4.720 2.802 2.531 3.061 . 0 0 "[ . 1 . 2]" 1
1590 1 81 PRO HD3 1 106 GLU HG2 . . 4.720 4.429 4.037 4.719 . 0 0 "[ . 1 . 2]" 1
1591 1 81 PRO HD3 1 106 GLU HG3 . . 4.720 4.029 3.657 4.241 . 0 0 "[ . 1 . 2]" 1
1592 1 81 PRO QG 1 83 LEU MD2 . . 3.430 2.860 2.338 3.214 . 0 0 "[ . 1 . 2]" 1
1593 1 81 PRO QG 1 106 GLU QG . . 2.920 2.046 1.895 2.380 . 0 0 "[ . 1 . 2]" 1
1594 1 81 PRO HG2 1 83 LEU MD2 . . 4.000 2.965 2.381 3.391 . 0 0 "[ . 1 . 2]" 1
1595 1 81 PRO HG2 1 106 GLU HG2 . . 3.910 2.276 1.997 3.579 . 0 0 "[ . 1 . 2]" 1
1596 1 81 PRO HG2 1 106 GLU HG3 . . 3.910 2.914 2.077 3.328 . 0 0 "[ . 1 . 2]" 1
1597 1 81 PRO HG3 1 83 LEU MD2 . . 4.000 3.811 3.414 4.002 0.002 17 0 "[ . 1 . 2]" 1
1598 1 81 PRO HG3 1 106 GLU HG2 . . 3.910 3.174 2.562 3.698 . 0 0 "[ . 1 . 2]" 1
1599 1 81 PRO HG3 1 106 GLU HG3 . . 3.910 3.480 2.662 3.909 . 0 0 "[ . 1 . 2]" 1
1600 1 82 GLN H 1 82 GLN HB2 . . 3.760 2.465 2.270 2.746 . 0 0 "[ . 1 . 2]" 1
1601 1 82 GLN H 1 82 GLN QB . . 3.110 2.423 2.245 2.665 . 0 0 "[ . 1 . 2]" 1
1602 1 82 GLN H 1 82 GLN HB3 . . 3.760 3.593 3.544 3.659 . 0 0 "[ . 1 . 2]" 1
1603 1 82 GLN H 1 82 GLN QE . . 4.920 4.338 3.553 4.912 . 0 0 "[ . 1 . 2]" 1
1604 1 82 GLN H 1 82 GLN HG2 . . 3.830 3.425 1.924 3.860 0.030 17 0 "[ . 1 . 2]" 1
1605 1 82 GLN H 1 82 GLN QG . . 3.210 2.434 1.915 3.174 . 0 0 "[ . 1 . 2]" 1
1606 1 82 GLN H 1 82 GLN HG3 . . 3.830 2.713 2.021 3.791 . 0 0 "[ . 1 . 2]" 1
1607 1 82 GLN H 1 83 LEU H . . 4.640 4.268 3.937 4.473 . 0 0 "[ . 1 . 2]" 1
1608 1 82 GLN H 1 103 TYR QE . . 5.500 5.169 4.752 5.491 . 0 0 "[ . 1 . 2]" 1
1609 1 82 GLN HA 1 83 LEU H . . 3.330 2.195 2.140 2.360 . 0 0 "[ . 1 . 2]" 1
1610 1 82 GLN HA 1 84 LEU H . . 4.350 4.150 3.857 4.351 0.001 4 0 "[ . 1 . 2]" 1
1611 1 82 GLN HA 1 103 TYR QE . . 3.990 3.089 2.408 3.489 . 0 0 "[ . 1 . 2]" 1
1612 1 82 GLN QB 1 83 LEU H . . 3.950 3.606 3.383 3.857 . 0 0 "[ . 1 . 2]" 1
1613 1 82 GLN HB2 1 83 LEU H . . 4.590 4.462 4.323 4.544 . 0 0 "[ . 1 . 2]" 1
1614 1 82 GLN HB3 1 83 LEU H . . 4.590 3.813 3.516 4.174 . 0 0 "[ . 1 . 2]" 1
1615 1 82 GLN QE 1 82 GLN QG . . 2.980 2.198 2.130 2.225 . 0 0 "[ . 1 . 2]" 1
1616 1 82 GLN HE22 1 82 GLN HG2 . . 4.010 3.639 3.508 3.789 . 0 0 "[ . 1 . 2]" 1
1617 1 82 GLN HE22 1 82 GLN HG3 . . 4.010 3.595 3.478 3.738 . 0 0 "[ . 1 . 2]" 1
1618 1 82 GLN QG 1 83 LEU H . . 5.300 4.326 4.039 4.879 . 0 0 "[ . 1 . 2]" 1
1619 1 83 LEU H 1 83 LEU QB . . 3.460 2.549 2.465 2.682 . 0 0 "[ . 1 . 2]" 1
1620 1 83 LEU H 1 83 LEU MD1 . . 3.920 3.625 3.312 3.865 . 0 0 "[ . 1 . 2]" 1
1621 1 83 LEU H 1 83 LEU MD2 . . 3.920 3.402 3.120 3.670 . 0 0 "[ . 1 . 2]" 1
1622 1 83 LEU H 1 83 LEU HG . . 3.160 2.297 1.909 2.533 . 0 0 "[ . 1 . 2]" 1
1623 1 83 LEU H 1 84 LEU H . . 3.620 2.513 2.182 2.818 . 0 0 "[ . 1 . 2]" 1
1624 1 83 LEU H 1 103 TYR QD . . 3.650 2.894 2.547 3.293 . 0 0 "[ . 1 . 2]" 1
1625 1 83 LEU H 1 103 TYR QE . . 3.910 3.511 2.413 3.904 . 0 0 "[ . 1 . 2]" 1
1626 1 83 LEU HA 1 83 LEU MD1 . . 4.030 3.929 3.856 4.021 . 0 0 "[ . 1 . 2]" 1
1627 1 83 LEU HA 1 83 LEU MD2 . . 2.980 2.148 1.977 2.437 . 0 0 "[ . 1 . 2]" 1
1628 1 83 LEU HA 1 83 LEU HG . . 3.460 3.200 3.014 3.356 . 0 0 "[ . 1 . 2]" 1
1629 1 83 LEU QB 1 83 LEU MD1 . . 2.950 2.047 1.974 2.095 . 0 0 "[ . 1 . 2]" 1
1630 1 83 LEU QB 1 83 LEU MD2 . . 2.940 2.273 2.125 2.364 . 0 0 "[ . 1 . 2]" 1
1631 1 83 LEU QB 1 84 LEU H . . 4.110 2.174 2.029 2.507 . 0 0 "[ . 1 . 2]" 1
1632 1 83 LEU QB 1 103 TYR H . . 5.280 4.395 3.993 4.649 . 0 0 "[ . 1 . 2]" 1
1633 1 83 LEU QB 1 103 TYR QD . . 3.540 3.090 2.278 3.491 . 0 0 "[ . 1 . 2]" 1
1634 1 83 LEU HB2 1 83 LEU MD1 . . 3.510 2.210 2.046 2.416 . 0 0 "[ . 1 . 2]" 1
1635 1 83 LEU HB3 1 83 LEU MD1 . . 3.510 2.449 2.245 2.604 . 0 0 "[ . 1 . 2]" 1
1636 1 83 LEU MD1 1 84 LEU H . . 4.710 4.010 3.621 4.257 . 0 0 "[ . 1 . 2]" 1
1637 1 83 LEU MD1 1 102 THR MG . . 3.340 1.973 1.783 2.163 . 0 0 "[ . 1 . 2]" 1
1638 1 83 LEU MD1 1 103 TYR H . . 4.450 3.348 2.905 3.756 . 0 0 "[ . 1 . 2]" 1
1639 1 83 LEU MD1 1 103 TYR HA . . 3.480 2.380 1.844 2.715 . 0 0 "[ . 1 . 2]" 1
1640 1 83 LEU MD1 1 103 TYR HB2 . . 5.170 3.216 2.599 3.736 . 0 0 "[ . 1 . 2]" 1
1641 1 83 LEU MD1 1 103 TYR QB . . 4.450 3.142 2.562 3.627 . 0 0 "[ . 1 . 2]" 1
1642 1 83 LEU MD1 1 103 TYR HB3 . . 5.170 4.429 3.889 4.911 . 0 0 "[ . 1 . 2]" 1
1643 1 83 LEU MD1 1 103 TYR QD . . 3.830 3.067 2.363 3.657 . 0 0 "[ . 1 . 2]" 1
1644 1 83 LEU MD1 1 106 GLU H . . 4.630 4.166 3.558 4.497 . 0 0 "[ . 1 . 2]" 1
1645 1 83 LEU MD1 1 106 GLU QB . . 3.530 2.488 2.032 2.900 . 0 0 "[ . 1 . 2]" 1
1646 1 83 LEU MD1 1 106 GLU HG2 . . 4.100 2.761 2.298 4.100 . 0 0 "[ . 1 . 2]" 1
1647 1 83 LEU MD1 1 106 GLU QG . . 3.520 2.639 2.281 3.285 . 0 0 "[ . 1 . 2]" 1
1648 1 83 LEU MD1 1 106 GLU HG3 . . 4.100 3.895 3.173 4.100 . 0 0 "[ . 1 . 2]" 1
1649 1 83 LEU HG 1 84 LEU H . . 4.210 3.975 3.712 4.167 . 0 0 "[ . 1 . 2]" 1
1650 1 83 LEU HG 1 103 TYR HA . . 4.710 4.111 3.788 4.672 . 0 0 "[ . 1 . 2]" 1
1651 1 83 LEU HG 1 103 TYR QD . . 3.730 3.200 2.574 3.703 . 0 0 "[ . 1 . 2]" 1
1652 1 84 LEU H 1 84 LEU HB2 . . 4.110 2.606 2.370 2.685 . 0 0 "[ . 1 . 2]" 1
1653 1 84 LEU H 1 84 LEU QB . . 3.300 2.546 2.338 2.612 . 0 0 "[ . 1 . 2]" 1
1654 1 84 LEU H 1 84 LEU HB3 . . 4.110 3.586 3.572 3.609 . 0 0 "[ . 1 . 2]" 1
1655 1 84 LEU H 1 84 LEU MD1 . . 3.650 3.249 3.082 3.504 . 0 0 "[ . 1 . 2]" 1
1656 1 84 LEU H 1 84 LEU MD2 . . 4.210 3.454 3.150 3.750 . 0 0 "[ . 1 . 2]" 1
1657 1 84 LEU H 1 84 LEU HG . . 3.600 2.053 1.900 2.494 . 0 0 "[ . 1 . 2]" 1
1658 1 84 LEU H 1 85 ASP H . . 4.940 4.618 4.551 4.644 . 0 0 "[ . 1 . 2]" 1
1659 1 84 LEU H 1 103 TYR QD . . 4.060 3.403 3.027 3.744 . 0 0 "[ . 1 . 2]" 1
1660 1 84 LEU HA 1 84 LEU MD1 . . 4.110 3.952 3.860 3.998 . 0 0 "[ . 1 . 2]" 1
1661 1 84 LEU HA 1 84 LEU MD2 . . 3.190 2.341 2.015 2.611 . 0 0 "[ . 1 . 2]" 1
1662 1 84 LEU HA 1 84 LEU HG . . 4.110 2.994 2.744 3.138 . 0 0 "[ . 1 . 2]" 1
1663 1 84 LEU HA 1 85 ASP H . . 2.980 2.258 2.163 2.398 . 0 0 "[ . 1 . 2]" 1
1664 1 84 LEU HA 1 85 ASP HA . . 4.600 4.385 4.360 4.446 . 0 0 "[ . 1 . 2]" 1
1665 1 84 LEU QB 1 85 ASP H . . 3.580 2.762 2.403 3.075 . 0 0 "[ . 1 . 2]" 1
1666 1 84 LEU QB 1 89 MET ME . . 3.550 2.420 2.101 3.045 . 0 0 "[ . 1 . 2]" 1
1667 1 84 LEU QB 1 89 MET QG . . 3.670 2.731 2.481 3.048 . 0 0 "[ . 1 . 2]" 1
1668 1 84 LEU HB2 1 85 ASP H . . 4.420 3.822 3.509 4.166 . 0 0 "[ . 1 . 2]" 1
1669 1 84 LEU HB2 1 89 MET ME . . 4.080 3.390 2.890 3.900 . 0 0 "[ . 1 . 2]" 1
1670 1 84 LEU HB3 1 85 ASP H . . 4.420 2.835 2.447 3.181 . 0 0 "[ . 1 . 2]" 1
1671 1 84 LEU HB3 1 89 MET ME . . 4.080 2.483 2.130 3.182 . 0 0 "[ . 1 . 2]" 1
1672 1 84 LEU MD1 1 89 MET ME . . 3.410 2.080 1.792 2.440 . 0 0 "[ . 1 . 2]" 1
1673 1 84 LEU MD1 1 100 VAL HA . . 3.690 2.604 2.212 3.005 . 0 0 "[ . 1 . 2]" 1
1674 1 84 LEU MD1 1 100 VAL MG2 . . 4.000 3.085 2.501 3.600 . 0 0 "[ . 1 . 2]" 1
1675 1 84 LEU MD1 1 103 TYR H . . 4.380 4.104 3.777 4.380 0.000 7 0 "[ . 1 . 2]" 1
1676 1 84 LEU MD1 1 103 TYR HB2 . . 4.050 2.543 1.987 2.790 . 0 0 "[ . 1 . 2]" 1
1677 1 84 LEU MD1 1 103 TYR HB3 . . 4.050 2.772 2.387 3.117 . 0 0 "[ . 1 . 2]" 1
1678 1 84 LEU MD1 1 103 TYR QD . . 3.960 3.135 2.846 3.428 . 0 0 "[ . 1 . 2]" 1
1679 1 84 LEU MD1 1 103 TYR QE . . 4.430 4.029 3.672 4.417 . 0 0 "[ . 1 . 2]" 1
1680 1 84 LEU MD2 1 89 MET ME . . 4.250 2.127 1.862 2.598 . 0 0 "[ . 1 . 2]" 1
1681 1 84 LEU MD2 1 99 CYS QB . . 3.320 1.997 1.814 2.565 . 0 0 "[ . 1 . 2]" 1
1682 1 84 LEU MD2 1 100 VAL H . . 4.660 3.042 2.742 3.461 . 0 0 "[ . 1 . 2]" 1
1683 1 84 LEU MD2 1 100 VAL HA . . 4.050 2.487 1.986 2.806 . 0 0 "[ . 1 . 2]" 1
1684 1 84 LEU MD2 1 103 TYR H . . 4.560 3.942 3.444 4.535 . 0 0 "[ . 1 . 2]" 1
1685 1 84 LEU MD2 1 103 TYR HB2 . . 4.770 3.445 2.904 3.874 . 0 0 "[ . 1 . 2]" 1
1686 1 84 LEU MD2 1 103 TYR QB . . 4.100 3.264 2.817 3.657 . 0 0 "[ . 1 . 2]" 1
1687 1 84 LEU MD2 1 103 TYR HB3 . . 4.770 4.069 3.705 4.506 . 0 0 "[ . 1 . 2]" 1
1688 1 84 LEU HG 1 103 TYR QB . . 4.400 2.674 2.290 3.032 . 0 0 "[ . 1 . 2]" 1
1689 1 84 LEU HG 1 103 TYR QD . . 4.270 3.590 3.160 4.072 . 0 0 "[ . 1 . 2]" 1
1690 1 85 ASP H 1 85 ASP HB2 . . 3.670 2.610 2.313 3.667 . 0 0 "[ . 1 . 2]" 1
1691 1 85 ASP H 1 85 ASP QB . . 3.130 2.491 2.286 3.098 . 0 0 "[ . 1 . 2]" 1
1692 1 85 ASP H 1 85 ASP HB3 . . 3.670 3.449 2.842 3.679 0.009 13 0 "[ . 1 . 2]" 1
1693 1 85 ASP H 1 86 THR H . . 4.770 3.926 3.750 4.136 . 0 0 "[ . 1 . 2]" 1
1694 1 85 ASP HA 1 86 THR H . . 2.890 2.263 2.165 2.372 . 0 0 "[ . 1 . 2]" 1
1695 1 85 ASP HA 1 86 THR HA . . 4.600 4.533 4.443 4.607 0.007 9 0 "[ . 1 . 2]" 1
1696 1 85 ASP HA 1 87 GLU H . . 4.450 3.846 3.680 4.081 . 0 0 "[ . 1 . 2]" 1
1697 1 85 ASP HA 1 88 ASP H . . 4.470 4.293 4.127 4.433 . 0 0 "[ . 1 . 2]" 1
1698 1 85 ASP QB 1 86 THR H . . 4.110 3.819 3.689 3.974 . 0 0 "[ . 1 . 2]" 1
1699 1 85 ASP QB 1 87 GLU H . . 4.210 3.708 3.415 4.167 . 0 0 "[ . 1 . 2]" 1
1700 1 85 ASP QB 1 88 ASP H . . 3.280 2.540 2.319 2.707 . 0 0 "[ . 1 . 2]" 1
1701 1 85 ASP HB2 1 86 THR H . . 4.700 4.501 4.085 4.642 . 0 0 "[ . 1 . 2]" 1
1702 1 85 ASP HB3 1 86 THR H . . 4.700 4.151 3.901 4.482 . 0 0 "[ . 1 . 2]" 1
1703 1 86 THR H 1 86 THR HB . . 3.690 2.841 2.683 2.971 . 0 0 "[ . 1 . 2]" 1
1704 1 86 THR H 1 86 THR MG . . 4.070 3.741 3.691 3.789 . 0 0 "[ . 1 . 2]" 1
1705 1 86 THR H 1 87 GLU H . . 3.540 3.081 2.934 3.212 . 0 0 "[ . 1 . 2]" 1
1706 1 86 THR H 1 88 ASP H . . 4.720 4.461 4.219 4.572 . 0 0 "[ . 1 . 2]" 1
1707 1 86 THR H 1 89 MET H . . 4.750 4.467 4.417 4.522 . 0 0 "[ . 1 . 2]" 1
1708 1 86 THR HA 1 86 THR MG . . 3.210 2.275 2.158 2.430 . 0 0 "[ . 1 . 2]" 1
1709 1 86 THR HA 1 87 GLU HA . . 5.120 4.877 4.849 4.923 . 0 0 "[ . 1 . 2]" 1
1710 1 86 THR HA 1 88 ASP H . . 5.170 4.361 4.051 4.509 . 0 0 "[ . 1 . 2]" 1
1711 1 86 THR HA 1 89 MET H . . 3.850 3.152 3.019 3.267 . 0 0 "[ . 1 . 2]" 1
1712 1 86 THR HA 1 90 VAL H . . 4.490 3.803 3.672 4.015 . 0 0 "[ . 1 . 2]" 1
1713 1 86 THR HA 1 90 VAL MG2 . . 4.140 3.996 3.601 4.139 . 0 0 "[ . 1 . 2]" 1
1714 1 86 THR HB 1 87 GLU H . . 4.470 2.383 2.205 2.485 . 0 0 "[ . 1 . 2]" 1
1715 1 86 THR HB 1 88 ASP H . . 5.020 4.982 4.855 5.021 0.001 19 0 "[ . 1 . 2]" 1
1716 1 86 THR HB 1 89 MET H . . 5.260 5.147 5.027 5.238 . 0 0 "[ . 1 . 2]" 1
1717 1 86 THR HB 1 90 VAL H . . 5.500 5.424 5.285 5.503 0.003 5 0 "[ . 1 . 2]" 1
1718 1 86 THR MG 1 87 GLU H . . 4.200 3.479 3.087 3.674 . 0 0 "[ . 1 . 2]" 1
1719 1 86 THR MG 1 87 GLU HA . . 3.980 3.687 3.333 3.897 . 0 0 "[ . 1 . 2]" 1
1720 1 86 THR MG 1 90 VAL H . . 4.280 3.681 3.390 3.996 . 0 0 "[ . 1 . 2]" 1
1721 1 86 THR MG 1 90 VAL MG2 . . 3.410 2.445 2.068 2.720 . 0 0 "[ . 1 . 2]" 1
1722 1 87 GLU H 1 87 GLU QB . . 2.990 2.433 2.247 2.600 . 0 0 "[ . 1 . 2]" 1
1723 1 87 GLU H 1 87 GLU QG . . 3.310 2.343 1.902 3.211 . 0 0 "[ . 1 . 2]" 1
1724 1 87 GLU H 1 88 ASP H . . 3.240 2.904 2.767 3.040 . 0 0 "[ . 1 . 2]" 1
1725 1 87 GLU H 1 89 MET H . . 4.010 3.998 3.965 4.011 0.001 19 0 "[ . 1 . 2]" 1
1726 1 87 GLU HA 1 87 GLU QG . . 3.670 2.721 2.183 3.427 . 0 0 "[ . 1 . 2]" 1
1727 1 87 GLU HA 1 89 MET H . . 4.530 4.439 4.285 4.532 0.002 15 0 "[ . 1 . 2]" 1
1728 1 87 GLU HA 1 90 VAL H . . 4.400 3.957 3.821 4.041 . 0 0 "[ . 1 . 2]" 1
1729 1 87 GLU HA 1 90 VAL HB . . 3.600 3.537 3.346 3.602 0.002 17 0 "[ . 1 . 2]" 1
1730 1 87 GLU HA 1 90 VAL MG2 . . 3.950 3.452 3.179 3.576 . 0 0 "[ . 1 . 2]" 1
1731 1 87 GLU HA 1 91 ARG H . . 5.450 4.829 4.662 4.947 . 0 0 "[ . 1 . 2]" 1
1732 1 87 GLU QB 1 88 ASP H . . 3.480 2.706 2.401 3.467 . 0 0 "[ . 1 . 2]" 1
1733 1 87 GLU QG 1 88 ASP H . . 4.530 3.597 1.867 4.432 . 0 0 "[ . 1 . 2]" 1
1734 1 88 ASP H 1 88 ASP HB2 . . 3.680 2.393 2.199 2.540 . 0 0 "[ . 1 . 2]" 1
1735 1 88 ASP H 1 88 ASP QB . . 3.200 2.325 2.177 2.493 . 0 0 "[ . 1 . 2]" 1
1736 1 88 ASP H 1 88 ASP HB3 . . 3.680 3.282 2.768 3.622 . 0 0 "[ . 1 . 2]" 1
1737 1 88 ASP H 1 90 VAL H . . 4.470 4.191 3.921 4.370 . 0 0 "[ . 1 . 2]" 1
1738 1 88 ASP HA 1 90 VAL H . . 5.180 4.313 3.843 4.562 . 0 0 "[ . 1 . 2]" 1
1739 1 88 ASP HA 1 91 ARG H . . 4.080 3.885 3.703 4.043 . 0 0 "[ . 1 . 2]" 1
1740 1 88 ASP HA 1 91 ARG HB3 . . 4.760 4.707 4.595 4.762 0.002 15 0 "[ . 1 . 2]" 1
1741 1 88 ASP HA 1 91 ARG HD2 . . 4.530 3.481 2.247 4.117 . 0 0 "[ . 1 . 2]" 1
1742 1 88 ASP HA 1 91 ARG QD . . 3.930 2.453 2.171 3.512 . 0 0 "[ . 1 . 2]" 1
1743 1 88 ASP HA 1 91 ARG HD3 . . 4.530 2.817 2.186 4.209 . 0 0 "[ . 1 . 2]" 1
1744 1 88 ASP HA 1 91 ARG HG2 . . 3.960 2.385 2.306 2.467 . 0 0 "[ . 1 . 2]" 1
1745 1 88 ASP HA 1 91 ARG HG3 . . 3.940 2.940 2.733 3.083 . 0 0 "[ . 1 . 2]" 1
1746 1 88 ASP HA 1 92 LEU MD1 . . 4.560 3.642 3.304 4.095 . 0 0 "[ . 1 . 2]" 1
1747 1 88 ASP QB 1 89 MET H . . 3.320 2.810 2.744 2.891 . 0 0 "[ . 1 . 2]" 1
1748 1 88 ASP QB 1 92 LEU MD1 . . 3.910 2.230 1.959 2.667 . 0 0 "[ . 1 . 2]" 1
1749 1 88 ASP HB2 1 89 MET H . . 3.920 3.240 2.808 3.818 . 0 0 "[ . 1 . 2]" 1
1750 1 88 ASP HB2 1 92 LEU MD1 . . 4.530 3.319 2.689 3.942 . 0 0 "[ . 1 . 2]" 1
1751 1 88 ASP HB3 1 89 MET H . . 3.920 3.442 2.833 3.920 . 0 0 "[ . 1 . 2]" 1
1752 1 88 ASP HB3 1 92 LEU MD1 . . 4.530 2.274 1.981 2.854 . 0 0 "[ . 1 . 2]" 1
1753 1 89 MET H 1 89 MET HB2 . . 3.440 2.515 2.367 2.587 . 0 0 "[ . 1 . 2]" 1
1754 1 89 MET H 1 89 MET HB3 . . 3.800 3.589 3.571 3.594 . 0 0 "[ . 1 . 2]" 1
1755 1 89 MET H 1 89 MET HG2 . . 3.740 2.509 2.003 3.425 . 0 0 "[ . 1 . 2]" 1
1756 1 89 MET H 1 89 MET QG . . 3.230 2.144 1.988 2.441 . 0 0 "[ . 1 . 2]" 1
1757 1 89 MET H 1 89 MET HG3 . . 3.740 3.022 2.177 3.631 . 0 0 "[ . 1 . 2]" 1
1758 1 89 MET H 1 90 VAL H . . 3.080 2.683 2.572 2.746 . 0 0 "[ . 1 . 2]" 1
1759 1 89 MET HA 1 89 MET ME . . 3.900 3.790 3.498 3.897 . 0 0 "[ . 1 . 2]" 1
1760 1 89 MET HA 1 92 LEU H . . 4.100 3.771 3.632 3.903 . 0 0 "[ . 1 . 2]" 1
1761 1 89 MET HA 1 92 LEU HB2 . . 4.160 2.386 2.238 2.662 . 0 0 "[ . 1 . 2]" 1
1762 1 89 MET HA 1 92 LEU HB3 . . 4.910 3.795 3.601 4.251 . 0 0 "[ . 1 . 2]" 1
1763 1 89 MET HA 1 92 LEU MD1 . . 4.160 2.416 2.066 2.875 . 0 0 "[ . 1 . 2]" 1
1764 1 89 MET HB2 1 89 MET ME . . 3.960 3.611 3.132 3.945 . 0 0 "[ . 1 . 2]" 1
1765 1 89 MET HB2 1 90 VAL H . . 3.720 2.600 2.456 2.957 . 0 0 "[ . 1 . 2]" 1
1766 1 89 MET HB2 1 90 VAL MG2 . . 3.810 3.538 3.402 3.733 . 0 0 "[ . 1 . 2]" 1
1767 1 89 MET HB3 1 89 MET ME . . 3.550 2.559 2.091 3.048 . 0 0 "[ . 1 . 2]" 1
1768 1 89 MET HB3 1 90 VAL H . . 4.170 3.655 3.357 3.998 . 0 0 "[ . 1 . 2]" 1
1769 1 89 MET HB3 1 90 VAL MG2 . . 4.710 4.464 4.291 4.656 . 0 0 "[ . 1 . 2]" 1
1770 1 89 MET ME 1 92 LEU MD1 . . 4.720 4.487 4.091 4.710 . 0 0 "[ . 1 . 2]" 1
1771 1 89 MET ME 1 95 PRO HB2 . . 3.760 2.718 2.422 3.111 . 0 0 "[ . 1 . 2]" 1
1772 1 89 MET ME 1 95 PRO QB . . 2.880 1.903 1.781 2.085 . 0 0 "[ . 1 . 2]" 1
1773 1 89 MET ME 1 95 PRO HB3 . . 3.760 1.946 1.820 2.126 . 0 0 "[ . 1 . 2]" 1
1774 1 89 MET ME 1 96 ASP H . . 5.310 4.617 3.700 5.142 . 0 0 "[ . 1 . 2]" 1
1775 1 89 MET ME 1 100 VAL MG2 . . 3.410 2.673 2.005 3.067 . 0 0 "[ . 1 . 2]" 1
1776 1 89 MET QG 1 90 VAL H . . 4.250 3.992 3.909 4.114 . 0 0 "[ . 1 . 2]" 1
1777 1 89 MET HG2 1 90 VAL H . . 5.000 4.471 4.187 4.961 . 0 0 "[ . 1 . 2]" 1
1778 1 89 MET HG3 1 90 VAL H . . 5.000 4.612 4.155 4.993 . 0 0 "[ . 1 . 2]" 1
1779 1 90 VAL H 1 90 VAL HB . . 3.080 2.381 2.318 2.407 . 0 0 "[ . 1 . 2]" 1
1780 1 90 VAL H 1 90 VAL MG1 . . 3.770 3.728 3.697 3.739 . 0 0 "[ . 1 . 2]" 1
1781 1 90 VAL H 1 90 VAL MG2 . . 3.130 2.439 2.291 2.563 . 0 0 "[ . 1 . 2]" 1
1782 1 90 VAL H 1 91 ARG H . . 3.350 3.031 2.834 3.122 . 0 0 "[ . 1 . 2]" 1
1783 1 90 VAL H 1 91 ARG HG3 . . 5.130 4.990 4.554 5.125 . 0 0 "[ . 1 . 2]" 1
1784 1 90 VAL H 1 92 LEU H . . 4.730 4.070 3.711 4.176 . 0 0 "[ . 1 . 2]" 1
1785 1 90 VAL HA 1 90 VAL MG1 . . 3.450 2.504 2.486 2.520 . 0 0 "[ . 1 . 2]" 1
1786 1 90 VAL HA 1 90 VAL MG2 . . 3.200 2.223 2.118 2.323 . 0 0 "[ . 1 . 2]" 1
1787 1 90 VAL HA 1 92 LEU H . . 4.660 4.580 4.299 4.655 . 0 0 "[ . 1 . 2]" 1
1788 1 90 VAL HB 1 91 ARG H . . 3.550 2.210 2.144 2.277 . 0 0 "[ . 1 . 2]" 1
1789 1 90 VAL HB 1 91 ARG HA . . 4.830 4.455 4.409 4.488 . 0 0 "[ . 1 . 2]" 1
1790 1 90 VAL MG1 1 91 ARG H . . 4.030 2.472 2.388 2.578 . 0 0 "[ . 1 . 2]" 1
1791 1 90 VAL MG1 1 91 ARG HA . . 4.260 2.880 2.825 2.946 . 0 0 "[ . 1 . 2]" 1
1792 1 90 VAL MG1 1 91 ARG HB2 . . 4.680 4.633 4.567 4.679 . 0 0 "[ . 1 . 2]" 1
1793 1 90 VAL MG1 1 91 ARG HG2 . . 4.050 4.042 4.011 4.055 0.005 15 0 "[ . 1 . 2]" 1
1794 1 90 VAL MG2 1 91 ARG H . . 3.980 3.787 3.749 3.827 . 0 0 "[ . 1 . 2]" 1
1795 1 91 ARG H 1 91 ARG HB2 . . 3.690 3.584 3.578 3.592 . 0 0 "[ . 1 . 2]" 1
1796 1 91 ARG H 1 91 ARG HB3 . . 3.180 2.665 2.637 2.696 . 0 0 "[ . 1 . 2]" 1
1797 1 91 ARG H 1 91 ARG QD . . 4.900 3.774 3.637 4.087 . 0 0 "[ . 1 . 2]" 1
1798 1 91 ARG H 1 91 ARG HG2 . . 3.650 1.946 1.899 2.053 . 0 0 "[ . 1 . 2]" 1
1799 1 91 ARG H 1 91 ARG HG3 . . 3.560 3.050 2.849 3.161 . 0 0 "[ . 1 . 2]" 1
1800 1 91 ARG HA 1 91 ARG HG2 . . 3.840 3.699 3.674 3.764 . 0 0 "[ . 1 . 2]" 1
1801 1 91 ARG HA 1 91 ARG HG3 . . 4.040 3.782 3.725 3.815 . 0 0 "[ . 1 . 2]" 1
1802 1 91 ARG HB2 1 91 ARG HD2 . . 3.970 2.976 2.299 3.689 . 0 0 "[ . 1 . 2]" 1
1803 1 91 ARG HB2 1 91 ARG HD3 . . 3.970 3.361 2.329 3.768 . 0 0 "[ . 1 . 2]" 1
1804 1 91 ARG HB2 1 91 ARG HG3 . . 2.810 2.455 2.416 2.526 . 0 0 "[ . 1 . 2]" 1
1805 1 91 ARG HB2 1 92 LEU H . . 3.800 3.516 3.428 3.753 . 0 0 "[ . 1 . 2]" 1
1806 1 91 ARG HB2 1 92 LEU HA . . 4.550 4.291 4.240 4.410 . 0 0 "[ . 1 . 2]" 1
1807 1 91 ARG HB3 1 92 LEU H . . 4.160 3.971 3.918 4.079 . 0 0 "[ . 1 . 2]" 1
1808 1 91 ARG HG2 1 92 LEU H . . 3.170 2.776 2.638 3.046 . 0 0 "[ . 1 . 2]" 1
1809 1 91 ARG HG3 1 92 LEU H . . 3.130 2.000 1.908 2.203 . 0 0 "[ . 1 . 2]" 1
1810 1 91 ARG HG3 1 92 LEU HA . . 3.990 3.544 3.443 3.762 . 0 0 "[ . 1 . 2]" 1
1811 1 91 ARG HG3 1 92 LEU HB2 . . 4.050 3.885 3.728 4.016 . 0 0 "[ . 1 . 2]" 1
1812 1 92 LEU H 1 92 LEU HB2 . . 3.770 2.309 2.232 2.444 . 0 0 "[ . 1 . 2]" 1
1813 1 92 LEU H 1 92 LEU HB3 . . 3.810 3.551 3.522 3.590 . 0 0 "[ . 1 . 2]" 1
1814 1 92 LEU H 1 92 LEU MD1 . . 3.970 3.524 3.326 3.658 . 0 0 "[ . 1 . 2]" 1
1815 1 92 LEU H 1 92 LEU MD2 . . 4.110 3.791 3.620 3.884 . 0 0 "[ . 1 . 2]" 1
1816 1 92 LEU H 1 92 LEU HG . . 3.230 2.607 2.360 2.774 . 0 0 "[ . 1 . 2]" 1
1817 1 92 LEU H 1 93 ARG H . . 4.940 4.481 4.393 4.605 . 0 0 "[ . 1 . 2]" 1
1818 1 92 LEU HA 1 92 LEU MD2 . . 3.090 2.145 1.996 2.315 . 0 0 "[ . 1 . 2]" 1
1819 1 92 LEU HA 1 92 LEU HG . . 4.020 2.771 2.658 2.922 . 0 0 "[ . 1 . 2]" 1
1820 1 92 LEU HA 1 94 GLU H . . 4.430 3.841 3.676 4.029 . 0 0 "[ . 1 . 2]" 1
1821 1 92 LEU HB2 1 92 LEU MD1 . . 3.460 2.172 2.086 2.321 . 0 0 "[ . 1 . 2]" 1
1822 1 92 LEU HB2 1 92 LEU MD2 . . 3.370 3.175 3.161 3.184 . 0 0 "[ . 1 . 2]" 1
1823 1 92 LEU HB2 1 93 ARG H . . 4.750 4.399 4.226 4.469 . 0 0 "[ . 1 . 2]" 1
1824 1 92 LEU HB2 1 94 GLU H . . 4.220 4.139 4.008 4.219 . 0 0 "[ . 1 . 2]" 1
1825 1 92 LEU HB3 1 92 LEU MD1 . . 3.360 2.484 2.387 2.614 . 0 0 "[ . 1 . 2]" 1
1826 1 92 LEU HB3 1 92 LEU MD2 . . 3.340 2.264 2.151 2.349 . 0 0 "[ . 1 . 2]" 1
1827 1 92 LEU HB3 1 93 ARG H . . 4.920 3.486 3.079 3.633 . 0 0 "[ . 1 . 2]" 1
1828 1 92 LEU HB3 1 94 GLU H . . 4.380 2.785 2.573 2.959 . 0 0 "[ . 1 . 2]" 1
1829 1 92 LEU MD1 1 95 PRO HA . . 3.770 3.433 3.261 3.596 . 0 0 "[ . 1 . 2]" 1
1830 1 92 LEU MD1 1 95 PRO QB . . 4.670 4.418 4.170 4.677 0.007 1 0 "[ . 1 . 2]" 1
1831 1 92 LEU MD1 1 96 ASP H . . 4.330 4.019 3.205 4.331 0.001 14 0 "[ . 1 . 2]" 1
1832 1 92 LEU MD2 1 93 ARG H . . 4.570 3.324 2.793 3.869 . 0 0 "[ . 1 . 2]" 1
1833 1 93 ARG H 1 93 ARG QB . . 3.610 2.280 2.132 2.438 . 0 0 "[ . 1 . 2]" 1
1834 1 93 ARG H 1 93 ARG QG . . 4.270 3.301 2.275 4.074 . 0 0 "[ . 1 . 2]" 1
1835 1 93 ARG H 1 94 GLU H . . 4.010 2.892 2.684 3.003 . 0 0 "[ . 1 . 2]" 1
1836 1 93 ARG HA 1 93 ARG QD . . 4.580 3.125 1.996 4.120 . 0 0 "[ . 1 . 2]" 1
1837 1 93 ARG HA 1 93 ARG HG2 . . 3.860 3.074 2.245 3.838 . 0 0 "[ . 1 . 2]" 1
1838 1 93 ARG HA 1 93 ARG HG3 . . 3.860 2.871 2.244 3.705 . 0 0 "[ . 1 . 2]" 1
1839 1 93 ARG QB 1 93 ARG QD . . 3.410 2.290 2.050 2.649 . 0 0 "[ . 1 . 2]" 1
1840 1 93 ARG QB 1 94 GLU H . . 3.600 2.661 2.518 2.830 . 0 0 "[ . 1 . 2]" 1
1841 1 93 ARG QG 1 94 GLU H . . 4.940 4.098 3.546 4.522 . 0 0 "[ . 1 . 2]" 1
1842 1 94 GLU H 1 94 GLU QB . . 3.470 3.148 2.819 3.319 . 0 0 "[ . 1 . 2]" 1
1843 1 94 GLU H 1 94 GLU HG2 . . 4.640 3.225 2.505 4.463 . 0 0 "[ . 1 . 2]" 1
1844 1 94 GLU H 1 94 GLU HG3 . . 4.640 3.711 2.619 4.509 . 0 0 "[ . 1 . 2]" 1
1845 1 94 GLU HA 1 94 GLU QG . . 3.730 3.182 2.484 3.478 . 0 0 "[ . 1 . 2]" 1
1846 1 94 GLU HA 1 95 PRO HD2 . . 3.530 2.256 2.222 2.311 . 0 0 "[ . 1 . 2]" 1
1847 1 94 GLU HA 1 95 PRO QD . . 3.070 2.010 1.993 2.039 . 0 0 "[ . 1 . 2]" 1
1848 1 94 GLU HA 1 95 PRO HD3 . . 3.530 2.258 2.253 2.269 . 0 0 "[ . 1 . 2]" 1
1849 1 94 GLU HA 1 95 PRO QG . . 4.260 3.915 3.895 3.946 . 0 0 "[ . 1 . 2]" 1
1850 1 94 GLU QB 1 95 PRO QD . . 3.260 2.234 2.110 2.297 . 0 0 "[ . 1 . 2]" 1
1851 1 94 GLU HB2 1 95 PRO HD2 . . 4.810 2.640 2.145 3.813 . 0 0 "[ . 1 . 2]" 1
1852 1 94 GLU HB2 1 95 PRO HD3 . . 4.810 3.946 3.558 4.810 . 0 0 "[ . 1 . 2]" 1
1853 1 94 GLU HB3 1 95 PRO HD2 . . 4.810 3.260 2.275 3.713 . 0 0 "[ . 1 . 2]" 1
1854 1 94 GLU HB3 1 95 PRO HD3 . . 4.810 4.310 3.680 4.625 . 0 0 "[ . 1 . 2]" 1
1855 1 95 PRO HA 1 96 ASP H . . 3.170 2.199 2.150 2.446 . 0 0 "[ . 1 . 2]" 1
1856 1 95 PRO QB 1 96 ASP H . . 3.770 3.254 2.436 3.669 . 0 0 "[ . 1 . 2]" 1
1857 1 95 PRO QB 1 100 VAL MG2 . . 3.200 1.923 1.840 2.199 . 0 0 "[ . 1 . 2]" 1
1858 1 95 PRO HB2 1 96 ASP H . . 4.340 3.466 2.497 3.971 . 0 0 "[ . 1 . 2]" 1
1859 1 95 PRO HB2 1 100 VAL MG2 . . 3.820 1.940 1.858 2.229 . 0 0 "[ . 1 . 2]" 1
1860 1 95 PRO HB3 1 96 ASP H . . 4.340 3.968 3.395 4.316 . 0 0 "[ . 1 . 2]" 1
1861 1 95 PRO HB3 1 100 VAL MG2 . . 3.820 3.140 2.979 3.361 . 0 0 "[ . 1 . 2]" 1
1862 1 95 PRO QG 1 96 ASP H . . 5.500 4.601 4.085 4.754 . 0 0 "[ . 1 . 2]" 1
1863 1 95 PRO QG 1 100 VAL MG2 . . 3.720 2.635 2.283 2.962 . 0 0 "[ . 1 . 2]" 1
1864 1 96 ASP H 1 96 ASP HB2 . . 3.550 2.576 2.183 3.530 . 0 0 "[ . 1 . 2]" 1
1865 1 96 ASP H 1 96 ASP HB3 . . 3.550 3.361 2.393 3.559 0.009 7 0 "[ . 1 . 2]" 1
1866 1 96 ASP H 1 97 TRP H . . 4.580 4.482 4.206 4.592 0.012 19 0 "[ . 1 . 2]" 1
1867 1 96 ASP H 1 99 CYS H . . 5.230 4.671 4.055 5.107 . 0 0 "[ . 1 . 2]" 1
1868 1 96 ASP H 1 99 CYS QB . . 4.870 3.838 3.306 4.808 . 0 0 "[ . 1 . 2]" 1
1869 1 96 ASP H 1 100 VAL MG2 . . 4.750 3.803 3.073 4.175 . 0 0 "[ . 1 . 2]" 1
1870 1 96 ASP HA 1 97 TRP H . . 3.170 2.154 2.138 2.182 . 0 0 "[ . 1 . 2]" 1
1871 1 96 ASP HA 1 97 TRP HD1 . . 4.550 3.810 3.465 4.381 . 0 0 "[ . 1 . 2]" 1
1872 1 96 ASP HA 1 98 LYS H . . 4.380 4.040 3.781 4.235 . 0 0 "[ . 1 . 2]" 1
1873 1 96 ASP QB 1 99 CYS H . . 3.900 2.836 2.505 3.464 . 0 0 "[ . 1 . 2]" 1
1874 1 96 ASP HB2 1 98 LYS H . . 5.020 4.198 3.046 5.020 . 9 0 "[ . 1 . 2]" 1
1875 1 96 ASP HB2 1 99 CYS H . . 4.770 3.376 2.542 4.552 . 0 0 "[ . 1 . 2]" 1
1876 1 96 ASP HB3 1 98 LYS H . . 5.020 3.379 2.571 4.673 . 0 0 "[ . 1 . 2]" 1
1877 1 96 ASP HB3 1 99 CYS H . . 4.770 3.428 2.552 4.710 . 0 0 "[ . 1 . 2]" 1
1878 1 97 TRP H 1 97 TRP QB . . 3.470 2.468 2.231 2.598 . 0 0 "[ . 1 . 2]" 1
1879 1 97 TRP H 1 97 TRP HD1 . . 3.880 2.383 2.133 2.912 . 0 0 "[ . 1 . 2]" 1
1880 1 97 TRP H 1 98 LYS H . . 3.680 2.915 2.777 3.132 . 0 0 "[ . 1 . 2]" 1
1881 1 97 TRP H 1 99 CYS H . . 5.210 4.428 4.204 4.872 . 0 0 "[ . 1 . 2]" 1
1882 1 97 TRP H 1 100 VAL HB . . 5.500 4.915 4.432 5.263 . 0 0 "[ . 1 . 2]" 1
1883 1 97 TRP HA 1 97 TRP HD1 . . 4.920 4.387 4.251 4.657 . 0 0 "[ . 1 . 2]" 1
1884 1 97 TRP HA 1 100 VAL H . . 4.600 3.523 3.227 3.912 . 0 0 "[ . 1 . 2]" 1
1885 1 97 TRP HA 1 100 VAL HB . . 4.420 2.424 2.001 2.861 . 0 0 "[ . 1 . 2]" 1
1886 1 97 TRP HA 1 100 VAL MG1 . . 4.910 3.860 3.345 4.212 . 0 0 "[ . 1 . 2]" 1
1887 1 97 TRP HA 1 100 VAL MG2 . . 4.110 2.913 2.300 3.469 . 0 0 "[ . 1 . 2]" 1
1888 1 97 TRP HA 1 101 TYR H . . 5.190 3.235 2.591 3.644 . 0 0 "[ . 1 . 2]" 1
1889 1 97 TRP QB 1 98 LYS H . . 4.220 3.298 3.125 3.483 . 0 0 "[ . 1 . 2]" 1
1890 1 97 TRP QB 1 100 VAL HB . . 4.680 4.022 3.665 4.487 . 0 0 "[ . 1 . 2]" 1
1891 1 97 TRP QB 1 101 TYR H . . 5.020 4.032 3.442 4.389 . 0 0 "[ . 1 . 2]" 1
1892 1 97 TRP HB2 1 98 LYS H . . 4.840 3.585 3.312 3.938 . 0 0 "[ . 1 . 2]" 1
1893 1 97 TRP HB3 1 98 LYS H . . 4.840 3.870 3.651 4.002 . 0 0 "[ . 1 . 2]" 1
1894 1 97 TRP HD1 1 98 LYS H . . 3.910 3.708 3.322 3.895 . 0 0 "[ . 1 . 2]" 1
1895 1 97 TRP HE1 1 98 LYS H . . 5.250 4.226 3.981 4.437 . 0 0 "[ . 1 . 2]" 1
1896 1 97 TRP HE3 1 98 LYS HA . . 4.590 2.736 2.496 3.339 . 0 0 "[ . 1 . 2]" 1
1897 1 97 TRP HE3 1 99 CYS H . . 5.500 5.315 5.024 5.500 0.000 16 0 "[ . 1 . 2]" 1
1898 1 97 TRP HE3 1 101 TYR H . . 5.110 4.551 3.443 5.094 . 0 0 "[ . 1 . 2]" 1
1899 1 97 TRP HE3 1 101 TYR HB2 . . 4.410 3.644 2.592 4.409 . 0 0 "[ . 1 . 2]" 1
1900 1 97 TRP HE3 1 101 TYR QB . . 3.850 3.151 2.134 3.821 . 0 0 "[ . 1 . 2]" 1
1901 1 97 TRP HE3 1 101 TYR HB3 . . 4.410 3.477 2.225 4.240 . 0 0 "[ . 1 . 2]" 1
1902 1 97 TRP HE3 1 101 TYR QD . . 5.500 4.610 3.808 5.357 . 0 0 "[ . 1 . 2]" 1
1903 1 97 TRP HH2 1 98 LYS QD . . 4.320 3.687 2.365 4.334 0.014 7 0 "[ . 1 . 2]" 1
1904 1 97 TRP HZ2 1 98 LYS QD . . 4.480 3.477 2.162 4.192 . 0 0 "[ . 1 . 2]" 1
1905 1 97 TRP HZ2 1 98 LYS QE . . 4.050 2.830 1.970 4.053 0.003 7 0 "[ . 1 . 2]" 1
1906 1 97 TRP HZ2 1 98 LYS HG2 . . 4.820 3.526 2.888 4.203 . 0 0 "[ . 1 . 2]" 1
1907 1 97 TRP HZ2 1 98 LYS QG . . 4.240 3.100 2.790 3.639 . 0 0 "[ . 1 . 2]" 1
1908 1 97 TRP HZ2 1 98 LYS HG3 . . 4.820 3.617 3.075 4.813 . 0 0 "[ . 1 . 2]" 1
1909 1 97 TRP HZ3 1 98 LYS HA . . 4.610 3.252 2.744 3.895 . 0 0 "[ . 1 . 2]" 1
1910 1 98 LYS H 1 98 LYS HB2 . . 3.640 2.598 2.400 2.894 . 0 0 "[ . 1 . 2]" 1
1911 1 98 LYS H 1 98 LYS QB . . 3.010 2.539 2.366 2.774 . 0 0 "[ . 1 . 2]" 1
1912 1 98 LYS H 1 98 LYS HB3 . . 3.640 3.596 3.562 3.623 . 0 0 "[ . 1 . 2]" 1
1913 1 98 LYS H 1 98 LYS QD . . 4.050 3.801 1.841 4.055 0.005 1 0 "[ . 1 . 2]" 1
1914 1 98 LYS H 1 98 LYS QE . . 4.820 4.110 3.024 4.798 . 0 0 "[ . 1 . 2]" 1
1915 1 98 LYS H 1 98 LYS HG2 . . 3.630 3.003 1.931 3.585 . 0 0 "[ . 1 . 2]" 1
1916 1 98 LYS H 1 98 LYS QG . . 3.050 2.109 1.918 2.341 . 0 0 "[ . 1 . 2]" 1
1917 1 98 LYS H 1 98 LYS HG3 . . 3.630 2.389 1.986 3.430 . 0 0 "[ . 1 . 2]" 1
1918 1 98 LYS H 1 99 CYS H . . 3.150 2.921 2.756 3.051 . 0 0 "[ . 1 . 2]" 1
1919 1 98 LYS H 1 100 VAL H . . 4.850 4.691 4.129 4.820 . 0 0 "[ . 1 . 2]" 1
1920 1 98 LYS HA 1 98 LYS QD . . 4.190 3.712 2.285 4.192 0.002 13 0 "[ . 1 . 2]" 1
1921 1 98 LYS HA 1 98 LYS HG2 . . 4.220 2.629 2.413 3.611 . 0 0 "[ . 1 . 2]" 1
1922 1 98 LYS HA 1 98 LYS QG . . 3.590 2.473 2.325 2.758 . 0 0 "[ . 1 . 2]" 1
1923 1 98 LYS HA 1 98 LYS HG3 . . 4.220 3.209 2.607 3.821 . 0 0 "[ . 1 . 2]" 1
1924 1 98 LYS QB 1 99 CYS H . . 3.600 2.544 2.174 2.804 . 0 0 "[ . 1 . 2]" 1
1925 1 98 LYS HB2 1 98 LYS QE . . 4.150 3.508 2.130 4.143 . 0 0 "[ . 1 . 2]" 1
1926 1 98 LYS HB2 1 99 CYS H . . 4.110 2.602 2.204 2.886 . 0 0 "[ . 1 . 2]" 1
1927 1 98 LYS HB3 1 98 LYS QE . . 4.150 3.470 2.064 4.121 . 0 0 "[ . 1 . 2]" 1
1928 1 98 LYS HB3 1 99 CYS H . . 4.110 3.618 3.304 3.868 . 0 0 "[ . 1 . 2]" 1
1929 1 98 LYS QE 1 98 LYS HG2 . . 3.780 2.702 2.118 3.450 . 0 0 "[ . 1 . 2]" 1
1930 1 98 LYS QE 1 98 LYS HG3 . . 3.780 2.554 2.084 3.454 . 0 0 "[ . 1 . 2]" 1
1931 1 98 LYS QG 1 99 CYS H . . 4.630 4.057 3.784 4.239 . 0 0 "[ . 1 . 2]" 1
1932 1 99 CYS H 1 99 CYS QB . . 3.190 2.337 2.194 2.685 . 0 0 "[ . 1 . 2]" 1
1933 1 99 CYS H 1 101 TYR H . . 4.800 4.288 3.898 4.581 . 0 0 "[ . 1 . 2]" 1
1934 1 99 CYS HA 1 100 VAL HA . . 5.500 4.890 4.822 4.947 . 0 0 "[ . 1 . 2]" 1
1935 1 99 CYS HA 1 101 TYR H . . 5.500 4.793 4.366 5.224 . 0 0 "[ . 1 . 2]" 1
1936 1 99 CYS HA 1 102 THR H . . 4.430 3.591 3.413 3.886 . 0 0 "[ . 1 . 2]" 1
1937 1 99 CYS QB 1 100 VAL H . . 3.550 2.323 1.995 3.376 . 0 0 "[ . 1 . 2]" 1
1938 1 99 CYS QB 1 100 VAL MG2 . . 4.570 3.264 3.012 4.139 . 0 0 "[ . 1 . 2]" 1
1939 1 100 VAL H 1 100 VAL HB . . 3.320 2.681 2.617 2.831 . 0 0 "[ . 1 . 2]" 1
1940 1 100 VAL H 1 100 VAL MG1 . . 3.930 3.771 3.736 3.790 . 0 0 "[ . 1 . 2]" 1
1941 1 100 VAL H 1 100 VAL MG2 . . 3.260 2.019 1.884 2.185 . 0 0 "[ . 1 . 2]" 1
1942 1 100 VAL H 1 101 TYR H . . 3.630 3.116 2.976 3.261 . 0 0 "[ . 1 . 2]" 1
1943 1 100 VAL H 1 102 THR H . . 4.860 4.312 4.174 4.471 . 0 0 "[ . 1 . 2]" 1
1944 1 100 VAL HA 1 100 VAL MG1 . . 3.490 2.362 2.251 2.467 . 0 0 "[ . 1 . 2]" 1
1945 1 100 VAL HA 1 100 VAL MG2 . . 3.280 2.349 2.251 2.428 . 0 0 "[ . 1 . 2]" 1
1946 1 100 VAL HA 1 101 TYR HA . . 5.080 4.874 4.834 4.930 . 0 0 "[ . 1 . 2]" 1
1947 1 100 VAL HA 1 102 THR HB . . 5.500 4.905 4.692 5.118 . 0 0 "[ . 1 . 2]" 1
1948 1 100 VAL HA 1 103 TYR H . . 4.100 3.543 3.352 3.874 . 0 0 "[ . 1 . 2]" 1
1949 1 100 VAL HA 1 103 TYR HB2 . . 4.670 3.733 3.373 4.181 . 0 0 "[ . 1 . 2]" 1
1950 1 100 VAL HA 1 103 TYR QB . . 4.020 3.066 2.772 3.374 . 0 0 "[ . 1 . 2]" 1
1951 1 100 VAL HA 1 103 TYR HB3 . . 4.670 3.271 2.898 3.560 . 0 0 "[ . 1 . 2]" 1
1952 1 100 VAL HA 1 104 ILE H . . 4.650 4.316 3.960 4.631 . 0 0 "[ . 1 . 2]" 1
1953 1 100 VAL HB 1 101 TYR H . . 3.260 2.210 1.942 2.476 . 0 0 "[ . 1 . 2]" 1
1954 1 100 VAL MG1 1 101 TYR H . . 4.320 3.119 2.837 3.628 . 0 0 "[ . 1 . 2]" 1
1955 1 100 VAL MG1 1 101 TYR HA . . 4.590 3.370 3.177 3.869 . 0 0 "[ . 1 . 2]" 1
1956 1 100 VAL MG1 1 104 ILE H . . 4.760 3.745 3.374 4.172 . 0 0 "[ . 1 . 2]" 1
1957 1 100 VAL MG1 1 104 ILE MD . . 3.430 3.057 2.535 3.435 0.005 17 0 "[ . 1 . 2]" 1
1958 1 100 VAL MG1 1 104 ILE HG12 . . 4.430 2.657 2.205 3.024 . 0 0 "[ . 1 . 2]" 1
1959 1 100 VAL MG1 1 104 ILE QG . . 3.760 2.493 2.060 2.768 . 0 0 "[ . 1 . 2]" 1
1960 1 100 VAL MG1 1 104 ILE HG13 . . 4.430 3.047 2.472 3.537 . 0 0 "[ . 1 . 2]" 1
1961 1 100 VAL MG2 1 101 TYR H . . 4.400 3.673 3.459 3.764 . 0 0 "[ . 1 . 2]" 1
1962 1 101 TYR H 1 101 TYR HB2 . . 3.410 2.722 2.490 2.828 . 0 0 "[ . 1 . 2]" 1
1963 1 101 TYR H 1 101 TYR QB . . 2.960 2.237 2.192 2.278 . 0 0 "[ . 1 . 2]" 1
1964 1 101 TYR H 1 101 TYR HB3 . . 3.410 2.388 2.283 2.576 . 0 0 "[ . 1 . 2]" 1
1965 1 101 TYR H 1 101 TYR QD . . 4.360 4.137 4.041 4.206 . 0 0 "[ . 1 . 2]" 1
1966 1 101 TYR H 1 102 THR H . . 3.900 2.920 2.798 3.021 . 0 0 "[ . 1 . 2]" 1
1967 1 101 TYR H 1 102 THR HB . . 5.500 5.253 5.128 5.357 . 0 0 "[ . 1 . 2]" 1
1968 1 101 TYR HA 1 101 TYR QD . . 3.620 3.163 2.958 3.276 . 0 0 "[ . 1 . 2]" 1
1969 1 101 TYR HA 1 103 TYR H . . 4.960 4.719 4.481 4.959 . 0 0 "[ . 1 . 2]" 1
1970 1 101 TYR HA 1 104 ILE H . . 4.390 3.747 3.492 3.969 . 0 0 "[ . 1 . 2]" 1
1971 1 101 TYR HA 1 104 ILE HB . . 3.970 2.955 2.624 3.237 . 0 0 "[ . 1 . 2]" 1
1972 1 101 TYR HA 1 105 GLN H . . 4.800 4.259 3.800 4.715 . 0 0 "[ . 1 . 2]" 1
1973 1 101 TYR QB 1 102 THR H . . 3.430 2.669 2.407 2.772 . 0 0 "[ . 1 . 2]" 1
1974 1 101 TYR HB2 1 102 THR H . . 4.090 4.021 3.799 4.090 0.000 4 0 "[ . 1 . 2]" 1
1975 1 101 TYR HB3 1 102 THR H . . 4.090 2.710 2.434 2.819 . 0 0 "[ . 1 . 2]" 1
1976 1 101 TYR QD 1 102 THR H . . 4.370 2.742 2.429 3.017 . 0 0 "[ . 1 . 2]" 1
1977 1 101 TYR QD 1 102 THR HA . . 4.500 2.733 2.435 3.175 . 0 0 "[ . 1 . 2]" 1
1978 1 101 TYR QD 1 102 THR MG . . 4.600 4.174 3.986 4.329 . 0 0 "[ . 1 . 2]" 1
1979 1 101 TYR QD 1 105 GLN QB . . 5.270 3.998 3.025 4.595 . 0 0 "[ . 1 . 2]" 1
1980 1 101 TYR QE 1 105 GLN QB . . 4.600 3.530 2.581 3.959 . 0 0 "[ . 1 . 2]" 1
1981 1 102 THR H 1 102 THR HB . . 3.250 2.675 2.592 2.733 . 0 0 "[ . 1 . 2]" 1
1982 1 102 THR H 1 102 THR HG1 . . 4.370 2.745 1.898 3.504 . 0 0 "[ . 1 . 2]" 1
1983 1 102 THR H 1 102 THR MG . . 3.990 3.758 3.746 3.768 . 0 0 "[ . 1 . 2]" 1
1984 1 102 THR H 1 103 TYR H . . 3.570 2.882 2.748 3.081 . 0 0 "[ . 1 . 2]" 1
1985 1 102 THR HA 1 102 THR MG . . 3.280 2.301 2.170 2.415 . 0 0 "[ . 1 . 2]" 1
1986 1 102 THR HA 1 105 GLN H . . 4.230 3.691 3.209 4.106 . 0 0 "[ . 1 . 2]" 1
1987 1 102 THR HA 1 105 GLN QB . . 3.600 2.970 2.710 3.600 . 0 0 "[ . 1 . 2]" 1
1988 1 102 THR HA 1 106 GLU H . . 4.820 4.066 3.804 4.294 . 0 0 "[ . 1 . 2]" 1
1989 1 102 THR HB 1 103 TYR H . . 3.480 2.296 2.140 2.504 . 0 0 "[ . 1 . 2]" 1
1990 1 102 THR MG 1 103 TYR H . . 4.080 3.370 3.188 3.596 . 0 0 "[ . 1 . 2]" 1
1991 1 102 THR MG 1 103 TYR HA . . 4.430 3.574 3.404 3.718 . 0 0 "[ . 1 . 2]" 1
1992 1 102 THR MG 1 106 GLU H . . 4.890 3.867 3.399 4.178 . 0 0 "[ . 1 . 2]" 1
1993 1 103 TYR H 1 103 TYR HB2 . . 3.350 2.454 2.273 2.605 . 0 0 "[ . 1 . 2]" 1
1994 1 103 TYR H 1 103 TYR HB3 . . 3.350 2.617 2.453 2.846 . 0 0 "[ . 1 . 2]" 1
1995 1 103 TYR H 1 103 TYR QD . . 4.400 4.173 4.031 4.206 . 0 0 "[ . 1 . 2]" 1
1996 1 103 TYR H 1 104 ILE H . . 3.530 2.898 2.698 3.058 . 0 0 "[ . 1 . 2]" 1
1997 1 103 TYR H 1 104 ILE QG . . 5.340 4.282 3.963 4.513 . 0 0 "[ . 1 . 2]" 1
1998 1 103 TYR H 1 105 GLN H . . 4.600 4.314 4.033 4.516 . 0 0 "[ . 1 . 2]" 1
1999 1 103 TYR HA 1 103 TYR QD . . 3.660 2.777 2.449 2.989 . 0 0 "[ . 1 . 2]" 1
2000 1 103 TYR HA 1 103 TYR QE . . 4.750 4.607 4.463 4.712 . 0 0 "[ . 1 . 2]" 1
2001 1 103 TYR HA 1 106 GLU H . . 4.140 3.453 3.224 3.702 . 0 0 "[ . 1 . 2]" 1
2002 1 103 TYR HA 1 106 GLU QB . . 3.850 2.569 2.335 2.738 . 0 0 "[ . 1 . 2]" 1
2003 1 103 TYR HA 1 107 PHE H . . 3.870 3.745 3.538 3.866 . 0 0 "[ . 1 . 2]" 1
2004 1 103 TYR QB 1 104 ILE H . . 3.480 2.333 2.120 3.013 . 0 0 "[ . 1 . 2]" 1
2005 1 103 TYR HB2 1 104 ILE H . . 4.150 3.724 3.501 4.152 0.002 8 0 "[ . 1 . 2]" 1
2006 1 103 TYR HB3 1 104 ILE H . . 4.150 2.359 2.136 3.093 . 0 0 "[ . 1 . 2]" 1
2007 1 103 TYR QD 1 103 TYR HH . . 4.800 4.296 4.243 4.353 . 0 0 "[ . 1 . 2]" 1
2008 1 103 TYR QD 1 104 ILE H . . 4.270 3.297 2.867 3.942 . 0 0 "[ . 1 . 2]" 1
2009 1 103 TYR QD 1 104 ILE MD . . 3.970 2.712 2.096 3.347 . 0 0 "[ . 1 . 2]" 1
2010 1 104 ILE H 1 104 ILE HB . . 3.280 2.635 2.532 2.738 . 0 0 "[ . 1 . 2]" 1
2011 1 104 ILE H 1 104 ILE MD . . 4.090 3.129 2.404 3.506 . 0 0 "[ . 1 . 2]" 1
2012 1 104 ILE H 1 104 ILE HG12 . . 3.560 1.976 1.900 2.097 . 0 0 "[ . 1 . 2]" 1
2013 1 104 ILE H 1 104 ILE HG13 . . 3.560 3.469 3.381 3.555 . 0 0 "[ . 1 . 2]" 1
2014 1 104 ILE H 1 104 ILE MG . . 4.000 3.768 3.750 3.788 . 0 0 "[ . 1 . 2]" 1
2015 1 104 ILE H 1 105 GLN H . . 3.590 2.867 2.462 3.114 . 0 0 "[ . 1 . 2]" 1
2016 1 104 ILE H 1 106 GLU H . . 5.080 4.298 3.834 4.543 . 0 0 "[ . 1 . 2]" 1
2017 1 104 ILE HA 1 104 ILE MD . . 3.400 2.029 1.946 2.182 . 0 0 "[ . 1 . 2]" 1
2018 1 104 ILE HA 1 104 ILE HG12 . . 4.160 3.016 2.846 3.351 . 0 0 "[ . 1 . 2]" 1
2019 1 104 ILE HA 1 104 ILE QG . . 3.630 2.891 2.762 3.114 . 0 0 "[ . 1 . 2]" 1
2020 1 104 ILE HA 1 104 ILE HG13 . . 4.160 3.738 3.667 3.816 . 0 0 "[ . 1 . 2]" 1
2021 1 104 ILE HA 1 104 ILE MG . . 3.210 2.379 2.309 2.468 . 0 0 "[ . 1 . 2]" 1
2022 1 104 ILE HA 1 106 GLU H . . 4.830 4.684 4.393 4.831 0.001 5 0 "[ . 1 . 2]" 1
2023 1 104 ILE HA 1 107 PHE H . . 4.090 3.927 3.629 4.073 . 0 0 "[ . 1 . 2]" 1
2024 1 104 ILE HA 1 107 PHE HB2 . . 4.100 3.973 3.696 4.097 . 0 0 "[ . 1 . 2]" 1
2025 1 104 ILE HA 1 107 PHE QB . . 3.460 3.192 2.897 3.394 . 0 0 "[ . 1 . 2]" 1
2026 1 104 ILE HA 1 107 PHE HB3 . . 4.100 3.375 2.998 3.700 . 0 0 "[ . 1 . 2]" 1
2027 1 104 ILE HA 1 108 TYR H . . 4.350 3.894 3.589 4.208 . 0 0 "[ . 1 . 2]" 1
2028 1 104 ILE HB 1 105 GLN H . . 3.460 2.515 2.280 2.874 . 0 0 "[ . 1 . 2]" 1
2029 1 104 ILE MD 1 104 ILE MG . . 3.090 1.966 1.890 2.125 . 0 0 "[ . 1 . 2]" 1
2030 1 104 ILE QG 1 104 ILE MG . . 3.000 2.341 2.202 2.440 . 0 0 "[ . 1 . 2]" 1
2031 1 104 ILE QG 1 105 GLN H . . 4.620 3.920 3.802 4.055 . 0 0 "[ . 1 . 2]" 1
2032 1 104 ILE HG12 1 104 ILE MG . . 3.470 3.189 3.175 3.201 . 0 0 "[ . 1 . 2]" 1
2033 1 104 ILE HG12 1 105 GLN H . . 5.260 4.155 3.965 4.305 . 0 0 "[ . 1 . 2]" 1
2034 1 104 ILE HG13 1 104 ILE MG . . 3.470 2.410 2.244 2.534 . 0 0 "[ . 1 . 2]" 1
2035 1 104 ILE HG13 1 105 GLN H . . 5.260 4.810 4.652 5.055 . 0 0 "[ . 1 . 2]" 1
2036 1 104 ILE MG 1 105 GLN H . . 4.120 3.412 3.139 3.639 . 0 0 "[ . 1 . 2]" 1
2037 1 104 ILE MG 1 105 GLN HA . . 4.470 3.486 3.248 3.680 . 0 0 "[ . 1 . 2]" 1
2038 1 104 ILE MG 1 108 TYR H . . 4.630 4.015 3.619 4.390 . 0 0 "[ . 1 . 2]" 1
2039 1 105 GLN H 1 105 GLN QB . . 3.040 2.257 2.231 2.409 . 0 0 "[ . 1 . 2]" 1
2040 1 105 GLN H 1 105 GLN HG2 . . 4.830 4.447 2.383 4.635 . 0 0 "[ . 1 . 2]" 1
2041 1 105 GLN H 1 105 GLN QG . . 4.180 3.913 2.339 4.052 . 0 0 "[ . 1 . 2]" 1
2042 1 105 GLN H 1 105 GLN HG3 . . 4.830 4.376 3.402 4.535 . 0 0 "[ . 1 . 2]" 1
2043 1 105 GLN H 1 106 GLU H . . 3.660 2.643 2.508 2.880 . 0 0 "[ . 1 . 2]" 1
2044 1 105 GLN H 1 107 PHE H . . 5.130 4.339 4.014 4.528 . 0 0 "[ . 1 . 2]" 1
2045 1 105 GLN HA 1 105 GLN HG2 . . 3.890 3.652 3.014 3.863 . 0 0 "[ . 1 . 2]" 1
2046 1 105 GLN HA 1 105 GLN QG . . 3.220 2.830 2.283 3.322 0.102 8 0 "[ . 1 . 2]" 1
2047 1 105 GLN HA 1 105 GLN HG3 . . 3.890 2.959 2.323 3.630 . 0 0 "[ . 1 . 2]" 1
2048 1 105 GLN HA 1 108 TYR H . . 4.580 3.747 3.431 3.968 . 0 0 "[ . 1 . 2]" 1
2049 1 105 GLN HA 1 108 TYR HB2 . . 4.200 3.485 2.860 4.020 . 0 0 "[ . 1 . 2]" 1
2050 1 105 GLN HA 1 108 TYR QB . . 3.620 2.628 2.463 2.784 . 0 0 "[ . 1 . 2]" 1
2051 1 105 GLN HA 1 108 TYR HB3 . . 4.200 2.765 2.518 3.160 . 0 0 "[ . 1 . 2]" 1
2052 1 105 GLN QB 1 106 GLU H . . 3.470 2.528 2.332 3.399 . 0 0 "[ . 1 . 2]" 1
2053 1 105 GLN QB 1 106 GLU HA . . 4.440 4.142 3.970 4.467 0.027 8 0 "[ . 1 . 2]" 1
2054 1 105 GLN QB 1 107 PHE H . . 5.160 4.939 4.798 5.159 . 0 0 "[ . 1 . 2]" 1
2055 1 105 GLN QB 1 108 TYR H . . 5.480 5.221 4.926 5.426 . 0 0 "[ . 1 . 2]" 1
2056 1 105 GLN QG 1 106 GLU H . . 3.760 3.414 2.060 3.717 . 0 0 "[ . 1 . 2]" 1
2057 1 106 GLU H 1 106 GLU QB . . 3.090 2.226 2.166 2.254 . 0 0 "[ . 1 . 2]" 1
2058 1 106 GLU H 1 106 GLU HG2 . . 4.790 4.566 4.373 4.610 . 0 0 "[ . 1 . 2]" 1
2059 1 106 GLU H 1 106 GLU QG . . 4.210 4.037 3.991 4.062 . 0 0 "[ . 1 . 2]" 1
2060 1 106 GLU H 1 106 GLU HG3 . . 4.790 4.504 4.399 4.608 . 0 0 "[ . 1 . 2]" 1
2061 1 106 GLU H 1 107 PHE H . . 3.490 2.846 2.623 2.948 . 0 0 "[ . 1 . 2]" 1
2062 1 106 GLU H 1 107 PHE QB . . 5.170 4.561 4.426 4.652 . 0 0 "[ . 1 . 2]" 1
2063 1 106 GLU H 1 108 TYR H . . 4.970 4.333 4.045 4.644 . 0 0 "[ . 1 . 2]" 1
2064 1 106 GLU HA 1 109 ARG H . . 4.460 3.856 3.675 4.018 . 0 0 "[ . 1 . 2]" 1
2065 1 106 GLU HA 1 109 ARG QB . . 3.860 3.158 2.982 3.305 . 0 0 "[ . 1 . 2]" 1
2066 1 106 GLU HA 1 109 ARG QD . . 4.740 4.026 3.623 4.621 . 0 0 "[ . 1 . 2]" 1
2067 1 106 GLU HA 1 109 ARG QG . . 5.340 5.057 4.591 5.295 . 0 0 "[ . 1 . 2]" 1
2068 1 106 GLU QB 1 107 PHE H . . 3.520 2.306 2.136 2.629 . 0 0 "[ . 1 . 2]" 1
2069 1 106 GLU QG 1 107 PHE H . . 4.290 3.565 3.183 3.996 . 0 0 "[ . 1 . 2]" 1
2070 1 106 GLU QG 1 107 PHE HA . . 4.830 3.800 3.337 4.670 . 0 0 "[ . 1 . 2]" 1
2071 1 106 GLU HG2 1 107 PHE H . . 5.030 4.499 4.191 4.795 . 0 0 "[ . 1 . 2]" 1
2072 1 106 GLU HG3 1 107 PHE H . . 5.030 3.748 3.274 4.334 . 0 0 "[ . 1 . 2]" 1
2073 1 107 PHE H 1 107 PHE HB2 . . 3.200 2.330 2.219 2.490 . 0 0 "[ . 1 . 2]" 1
2074 1 107 PHE H 1 107 PHE HB3 . . 3.200 2.761 2.570 2.904 . 0 0 "[ . 1 . 2]" 1
2075 1 107 PHE H 1 107 PHE QD . . 4.620 4.052 3.923 4.168 . 0 0 "[ . 1 . 2]" 1
2076 1 107 PHE HA 1 107 PHE QD . . 3.680 2.134 1.999 2.344 . 0 0 "[ . 1 . 2]" 1
2077 1 107 PHE HA 1 109 ARG H . . 4.480 4.135 3.522 4.459 . 0 0 "[ . 1 . 2]" 1
2078 1 107 PHE HA 1 110 CYS H . . 4.170 3.296 3.049 3.421 . 0 0 "[ . 1 . 2]" 1
2079 1 107 PHE HA 1 110 CYS QB . . 3.480 3.011 2.803 3.325 . 0 0 "[ . 1 . 2]" 1
2080 1 107 PHE HA 1 110 CYS HG . . 3.990 3.013 2.025 3.886 . 0 0 "[ . 1 . 2]" 1
2081 1 107 PHE HA 1 111 LEU H . . 4.910 4.357 4.087 4.711 . 0 0 "[ . 1 . 2]" 1
2082 1 107 PHE QB 1 108 TYR H . . 3.290 2.325 2.111 2.599 . 0 0 "[ . 1 . 2]" 1
2083 1 107 PHE HB2 1 108 TYR H . . 4.040 3.592 3.409 3.778 . 0 0 "[ . 1 . 2]" 1
2084 1 107 PHE HB3 1 108 TYR H . . 4.040 2.357 2.131 2.661 . 0 0 "[ . 1 . 2]" 1
2085 1 107 PHE QD 1 108 TYR H . . 4.510 3.945 3.272 4.374 . 0 0 "[ . 1 . 2]" 1
2086 1 107 PHE QD 1 111 LEU MD1 . . 3.800 2.765 2.311 3.797 . 0 0 "[ . 1 . 2]" 1
2087 1 107 PHE QD 1 111 LEU MD2 . . 4.840 3.455 2.925 3.879 . 0 0 "[ . 1 . 2]" 1
2088 1 107 PHE QE 1 111 LEU MD1 . . 4.480 3.047 2.520 3.772 . 0 0 "[ . 1 . 2]" 1
2089 1 107 PHE QE 1 111 LEU MD2 . . 3.850 2.617 2.259 3.329 . 0 0 "[ . 1 . 2]" 1
2090 1 108 TYR H 1 108 TYR HB2 . . 3.240 2.467 2.217 2.701 . 0 0 "[ . 1 . 2]" 1
2091 1 108 TYR H 1 108 TYR HB3 . . 3.240 2.628 2.406 2.906 . 0 0 "[ . 1 . 2]" 1
2092 1 108 TYR H 1 108 TYR QD . . 4.310 4.167 4.053 4.213 . 0 0 "[ . 1 . 2]" 1
2093 1 108 TYR H 1 109 ARG H . . 3.600 2.886 2.702 3.016 . 0 0 "[ . 1 . 2]" 1
2094 1 108 TYR H 1 109 ARG HB2 . . 5.500 5.207 4.809 5.446 . 0 0 "[ . 1 . 2]" 1
2095 1 108 TYR H 1 109 ARG QB . . 4.690 4.601 4.431 4.694 0.004 5 0 "[ . 1 . 2]" 1
2096 1 108 TYR H 1 109 ARG HB3 . . 5.500 5.143 4.920 5.476 . 0 0 "[ . 1 . 2]" 1
2097 1 108 TYR H 1 110 CYS H . . 4.700 4.313 4.146 4.520 . 0 0 "[ . 1 . 2]" 1
2098 1 108 TYR HA 1 108 TYR QD . . 3.950 2.956 2.331 3.234 . 0 0 "[ . 1 . 2]" 1
2099 1 108 TYR HA 1 109 ARG HA . . 5.060 4.788 4.641 4.852 . 0 0 "[ . 1 . 2]" 1
2100 1 108 TYR HA 1 110 CYS H . . 4.390 4.305 4.130 4.395 0.005 17 0 "[ . 1 . 2]" 1
2101 1 108 TYR HA 1 111 LEU H . . 3.930 3.543 3.313 3.771 . 0 0 "[ . 1 . 2]" 1
2102 1 108 TYR HA 1 111 LEU HB2 . . 4.150 3.137 2.779 3.491 . 0 0 "[ . 1 . 2]" 1
2103 1 108 TYR HA 1 111 LEU HB3 . . 4.840 4.568 4.278 4.796 . 0 0 "[ . 1 . 2]" 1
2104 1 108 TYR HA 1 111 LEU MD1 . . 3.610 2.280 1.988 2.889 . 0 0 "[ . 1 . 2]" 1
2105 1 108 TYR HA 1 111 LEU HG . . 4.340 2.872 2.405 3.397 . 0 0 "[ . 1 . 2]" 1
2106 1 108 TYR HA 1 112 VAL H . . 4.910 4.231 3.868 4.645 . 0 0 "[ . 1 . 2]" 1
2107 1 108 TYR QB 1 109 ARG H . . 3.340 2.658 2.400 3.120 . 0 0 "[ . 1 . 2]" 1
2108 1 108 TYR QD 1 109 ARG H . . 4.390 3.506 2.680 4.243 . 0 0 "[ . 1 . 2]" 1
2109 1 108 TYR QD 1 109 ARG HA . . 4.140 3.232 2.542 4.000 . 0 0 "[ . 1 . 2]" 1
2110 1 108 TYR QD 1 112 VAL MG2 . . 4.120 3.009 2.327 3.880 . 0 0 "[ . 1 . 2]" 1
2111 1 108 TYR QE 1 112 VAL MG2 . . 3.590 2.699 2.183 3.479 . 0 0 "[ . 1 . 2]" 1
2112 1 108 TYR QE 1 117 VAL MG1 . . 3.640 2.452 1.843 2.973 . 0 0 "[ . 1 . 2]" 1
2113 1 109 ARG H 1 109 ARG HB2 . . 3.240 2.514 2.233 2.745 . 0 0 "[ . 1 . 2]" 1
2114 1 109 ARG H 1 109 ARG HB3 . . 3.240 2.572 2.430 2.856 . 0 0 "[ . 1 . 2]" 1
2115 1 109 ARG H 1 109 ARG QD . . 4.800 4.399 3.922 4.644 . 0 0 "[ . 1 . 2]" 1
2116 1 109 ARG H 1 109 ARG HG2 . . 4.600 4.497 4.381 4.619 0.019 15 0 "[ . 1 . 2]" 1
2117 1 109 ARG H 1 109 ARG HG3 . . 4.600 4.444 4.296 4.555 . 0 0 "[ . 1 . 2]" 1
2118 1 109 ARG H 1 110 CYS H . . 3.350 2.640 2.243 2.826 . 0 0 "[ . 1 . 2]" 1
2119 1 109 ARG HA 1 109 ARG QD . . 4.520 3.895 3.065 4.251 . 0 0 "[ . 1 . 2]" 1
2120 1 109 ARG HA 1 109 ARG HG2 . . 3.950 3.247 2.853 3.666 . 0 0 "[ . 1 . 2]" 1
2121 1 109 ARG HA 1 109 ARG HG3 . . 3.950 2.514 2.274 2.923 . 0 0 "[ . 1 . 2]" 1
2122 1 109 ARG HA 1 112 VAL H . . 4.120 3.837 3.541 4.114 . 0 0 "[ . 1 . 2]" 1
2123 1 109 ARG HA 1 112 VAL HB . . 3.800 3.276 2.988 3.646 . 0 0 "[ . 1 . 2]" 1
2124 1 109 ARG HA 1 112 VAL MG2 . . 3.490 2.940 2.464 3.412 . 0 0 "[ . 1 . 2]" 1
2125 1 109 ARG HA 1 113 GLN H . . 5.070 4.715 4.384 5.060 . 0 0 "[ . 1 . 2]" 1
2126 1 109 ARG QB 1 109 ARG QD . . 3.270 2.135 2.039 2.335 . 0 0 "[ . 1 . 2]" 1
2127 1 109 ARG QB 1 110 CYS H . . 3.410 2.632 2.507 2.864 . 0 0 "[ . 1 . 2]" 1
2128 1 109 ARG QB 1 111 LEU H . . 5.340 4.889 4.723 5.054 . 0 0 "[ . 1 . 2]" 1
2129 1 109 ARG HB2 1 110 CYS H . . 4.170 3.888 3.613 4.044 . 0 0 "[ . 1 . 2]" 1
2130 1 109 ARG HB3 1 110 CYS H . . 4.170 2.678 2.543 2.930 . 0 0 "[ . 1 . 2]" 1
2131 1 109 ARG QG 1 110 CYS HA . . 4.630 3.784 3.473 4.302 . 0 0 "[ . 1 . 2]" 1
2132 1 109 ARG HG2 1 110 CYS H . . 4.840 3.969 3.555 4.750 . 0 0 "[ . 1 . 2]" 1
2133 1 109 ARG HG2 1 110 CYS HA . . 5.490 3.947 3.545 5.310 . 0 0 "[ . 1 . 2]" 1
2134 1 109 ARG HG3 1 110 CYS H . . 4.840 4.691 4.345 4.842 0.002 5 0 "[ . 1 . 2]" 1
2135 1 109 ARG HG3 1 110 CYS HA . . 5.490 5.076 4.548 5.388 . 0 0 "[ . 1 . 2]" 1
2136 1 110 CYS H 1 110 CYS HB2 . . 3.760 2.857 2.358 3.622 . 0 0 "[ . 1 . 2]" 1
2137 1 110 CYS H 1 110 CYS QB . . 3.110 2.395 2.204 2.549 . 0 0 "[ . 1 . 2]" 1
2138 1 110 CYS H 1 110 CYS HB3 . . 3.760 3.159 2.227 3.603 . 0 0 "[ . 1 . 2]" 1
2139 1 110 CYS H 1 110 CYS HG . . 3.250 2.696 2.277 3.265 0.015 20 0 "[ . 1 . 2]" 1
2140 1 110 CYS H 1 111 LEU H . . 3.380 2.665 2.396 2.845 . 0 0 "[ . 1 . 2]" 1
2141 1 110 CYS H 1 111 LEU HG . . 4.900 4.034 3.669 4.241 . 0 0 "[ . 1 . 2]" 1
2142 1 110 CYS H 1 112 VAL H . . 4.750 4.354 4.096 4.576 . 0 0 "[ . 1 . 2]" 1
2143 1 110 CYS HA 1 112 VAL H . . 5.000 4.649 4.407 4.959 . 0 0 "[ . 1 . 2]" 1
2144 1 110 CYS HA 1 113 GLN H . . 3.760 3.624 3.381 3.761 0.001 4 0 "[ . 1 . 2]" 1
2145 1 110 CYS HA 1 113 GLN QB . . 3.420 3.059 2.918 3.351 . 0 0 "[ . 1 . 2]" 1
2146 1 110 CYS HA 1 113 GLN QG . . 4.020 3.459 2.943 3.862 . 0 0 "[ . 1 . 2]" 1
2147 1 110 CYS QB 1 111 LEU H . . 3.400 2.742 2.203 3.435 0.035 7 0 "[ . 1 . 2]" 1
2148 1 110 CYS HB2 1 111 LEU H . . 3.920 2.961 2.235 3.935 0.015 17 0 "[ . 1 . 2]" 1
2149 1 110 CYS HB3 1 111 LEU H . . 3.920 3.540 3.299 3.912 . 0 0 "[ . 1 . 2]" 1
2150 1 110 CYS HG 1 111 LEU H . . 4.770 3.808 1.894 4.743 . 0 0 "[ . 1 . 2]" 1
2151 1 111 LEU H 1 111 LEU HB2 . . 3.690 2.677 2.520 2.832 . 0 0 "[ . 1 . 2]" 1
2152 1 111 LEU H 1 111 LEU HB3 . . 3.780 3.578 3.563 3.588 . 0 0 "[ . 1 . 2]" 1
2153 1 111 LEU H 1 111 LEU MD1 . . 3.980 3.520 3.384 3.661 . 0 0 "[ . 1 . 2]" 1
2154 1 111 LEU H 1 111 LEU MD2 . . 3.940 3.006 2.567 3.194 . 0 0 "[ . 1 . 2]" 1
2155 1 111 LEU H 1 111 LEU HG . . 3.170 1.965 1.900 2.198 . 0 0 "[ . 1 . 2]" 1
2156 1 111 LEU H 1 112 VAL H . . 3.350 2.887 2.663 3.024 . 0 0 "[ . 1 . 2]" 1
2157 1 111 LEU H 1 112 VAL HB . . 5.500 4.981 4.788 5.176 . 0 0 "[ . 1 . 2]" 1
2158 1 111 LEU H 1 112 VAL MG2 . . 4.730 4.302 4.071 4.543 . 0 0 "[ . 1 . 2]" 1
2159 1 111 LEU H 1 113 GLN H . . 4.470 4.296 4.034 4.446 . 0 0 "[ . 1 . 2]" 1
2160 1 111 LEU HA 1 111 LEU MD1 . . 4.320 3.912 3.855 3.952 . 0 0 "[ . 1 . 2]" 1
2161 1 111 LEU HA 1 111 LEU MD2 . . 3.160 2.169 1.992 2.391 . 0 0 "[ . 1 . 2]" 1
2162 1 111 LEU HA 1 111 LEU HG . . 3.930 3.220 3.087 3.391 . 0 0 "[ . 1 . 2]" 1
2163 1 111 LEU HA 1 113 GLN H . . 5.360 4.315 3.892 4.601 . 0 0 "[ . 1 . 2]" 1
2164 1 111 LEU HA 1 114 LYS H . . 3.880 3.357 3.109 3.618 . 0 0 "[ . 1 . 2]" 1
2165 1 111 LEU HA 1 114 LYS HB2 . . 4.440 2.424 2.053 2.837 . 0 0 "[ . 1 . 2]" 1
2166 1 111 LEU HA 1 114 LYS QB . . 3.720 2.403 2.041 2.805 . 0 0 "[ . 1 . 2]" 1
2167 1 111 LEU HA 1 114 LYS HB3 . . 4.440 3.975 3.551 4.434 . 0 0 "[ . 1 . 2]" 1
2168 1 111 LEU HA 1 114 LYS QG . . 4.480 3.574 2.563 4.483 0.003 12 0 "[ . 1 . 2]" 1
2169 1 111 LEU HA 1 116 LEU H . . 4.150 3.922 3.658 4.126 . 0 0 "[ . 1 . 2]" 1
2170 1 111 LEU HA 1 116 LEU HB2 . . 4.790 3.250 2.948 3.592 . 0 0 "[ . 1 . 2]" 1
2171 1 111 LEU HA 1 116 LEU MD1 . . 4.080 2.720 2.373 3.125 . 0 0 "[ . 1 . 2]" 1
2172 1 111 LEU HA 1 116 LEU HG . . 4.710 4.282 3.545 4.685 . 0 0 "[ . 1 . 2]" 1
2173 1 111 LEU HB2 1 111 LEU MD1 . . 3.230 2.245 2.123 2.402 . 0 0 "[ . 1 . 2]" 1
2174 1 111 LEU HB2 1 111 LEU MD2 . . 3.430 3.181 3.168 3.193 . 0 0 "[ . 1 . 2]" 1
2175 1 111 LEU HB2 1 112 VAL H . . 3.840 2.314 2.106 2.476 . 0 0 "[ . 1 . 2]" 1
2176 1 111 LEU HB2 1 112 VAL HA . . 4.550 4.040 3.954 4.189 . 0 0 "[ . 1 . 2]" 1
2177 1 111 LEU HB2 1 112 VAL MG2 . . 3.610 3.248 3.050 3.403 . 0 0 "[ . 1 . 2]" 1
2178 1 111 LEU HB2 1 116 LEU HB2 . . 4.100 3.773 3.526 4.097 . 0 0 "[ . 1 . 2]" 1
2179 1 111 LEU HB2 1 116 LEU HB3 . . 5.300 4.935 4.655 5.214 . 0 0 "[ . 1 . 2]" 1
2180 1 111 LEU HB2 1 116 LEU MD1 . . 4.710 4.185 3.786 4.583 . 0 0 "[ . 1 . 2]" 1
2181 1 111 LEU HB3 1 111 LEU MD1 . . 3.450 2.411 2.262 2.537 . 0 0 "[ . 1 . 2]" 1
2182 1 111 LEU HB3 1 111 LEU MD2 . . 3.190 2.299 2.199 2.420 . 0 0 "[ . 1 . 2]" 1
2183 1 111 LEU HB3 1 112 VAL H . . 3.690 3.547 3.375 3.690 0.000 12 0 "[ . 1 . 2]" 1
2184 1 111 LEU HB3 1 116 LEU H . . 3.920 3.818 3.625 3.921 0.001 4 0 "[ . 1 . 2]" 1
2185 1 111 LEU HB3 1 116 LEU MD1 . . 3.270 2.743 2.290 3.268 . 0 0 "[ . 1 . 2]" 1
2186 1 111 LEU HB3 1 117 VAL H . . 4.050 3.324 3.001 3.680 . 0 0 "[ . 1 . 2]" 1
2187 1 111 LEU HB3 1 117 VAL HB . . 4.790 3.904 3.491 4.640 . 0 0 "[ . 1 . 2]" 1
2188 1 111 LEU HB3 1 117 VAL MG2 . . 3.540 2.700 1.984 3.212 . 0 0 "[ . 1 . 2]" 1
2189 1 111 LEU MD1 1 117 VAL MG2 . . 3.470 2.420 1.930 3.155 . 0 0 "[ . 1 . 2]" 1
2190 1 111 LEU MD2 1 116 LEU H . . 4.980 4.769 4.332 4.969 . 0 0 "[ . 1 . 2]" 1
2191 1 111 LEU MD2 1 116 LEU HB2 . . 3.580 3.175 2.626 3.476 . 0 0 "[ . 1 . 2]" 1
2192 1 111 LEU MD2 1 116 LEU HB3 . . 4.050 3.840 3.400 4.044 . 0 0 "[ . 1 . 2]" 1
2193 1 111 LEU MD2 1 116 LEU MD1 . . 3.210 1.885 1.703 2.059 . 0 0 "[ . 1 . 2]" 1
2194 1 111 LEU HG 1 112 VAL H . . 4.660 4.020 3.866 4.247 . 0 0 "[ . 1 . 2]" 1
2195 1 112 VAL H 1 112 VAL HB . . 3.140 2.590 2.448 2.685 . 0 0 "[ . 1 . 2]" 1
2196 1 112 VAL H 1 112 VAL MG1 . . 3.910 3.767 3.750 3.777 . 0 0 "[ . 1 . 2]" 1
2197 1 112 VAL H 1 112 VAL MG2 . . 3.140 2.074 1.893 2.257 . 0 0 "[ . 1 . 2]" 1
2198 1 112 VAL H 1 114 LYS H . . 5.110 4.362 4.019 4.715 . 0 0 "[ . 1 . 2]" 1
2199 1 112 VAL H 1 117 VAL HB . . 4.720 3.720 3.201 4.309 . 0 0 "[ . 1 . 2]" 1
2200 1 112 VAL H 1 117 VAL MG2 . . 4.710 4.104 3.346 4.701 . 0 0 "[ . 1 . 2]" 1
2201 1 112 VAL HA 1 112 VAL MG1 . . 3.240 2.427 2.308 2.480 . 0 0 "[ . 1 . 2]" 1
2202 1 112 VAL HA 1 112 VAL MG2 . . 3.190 2.336 2.233 2.435 . 0 0 "[ . 1 . 2]" 1
2203 1 112 VAL HA 1 113 GLN HA . . 4.980 4.752 4.702 4.848 . 0 0 "[ . 1 . 2]" 1
2204 1 112 VAL HA 1 115 GLY H . . 4.030 3.694 3.418 3.856 . 0 0 "[ . 1 . 2]" 1
2205 1 112 VAL HA 1 116 LEU H . . 4.050 3.723 3.466 4.038 . 0 0 "[ . 1 . 2]" 1
2206 1 112 VAL HA 1 117 VAL H . . 3.640 2.851 2.426 3.240 . 0 0 "[ . 1 . 2]" 1
2207 1 112 VAL HA 1 117 VAL HB . . 3.870 2.930 2.268 3.436 . 0 0 "[ . 1 . 2]" 1
2208 1 112 VAL HA 1 117 VAL MG1 . . 5.170 4.096 3.631 4.432 . 0 0 "[ . 1 . 2]" 1
2209 1 112 VAL HA 1 117 VAL MG2 . . 5.150 4.154 3.505 4.682 . 0 0 "[ . 1 . 2]" 1
2210 1 112 VAL HB 1 113 GLN H . . 3.310 2.577 2.410 2.891 . 0 0 "[ . 1 . 2]" 1
2211 1 112 VAL MG1 1 113 GLN H . . 3.770 3.359 3.048 3.610 . 0 0 "[ . 1 . 2]" 1
2212 1 112 VAL MG1 1 113 GLN HA . . 3.940 3.403 3.122 3.608 . 0 0 "[ . 1 . 2]" 1
2213 1 112 VAL MG2 1 113 GLN H . . 3.960 3.848 3.747 3.957 . 0 0 "[ . 1 . 2]" 1
2214 1 112 VAL MG2 1 117 VAL H . . 4.490 3.961 3.657 4.351 . 0 0 "[ . 1 . 2]" 1
2215 1 112 VAL MG2 1 117 VAL HB . . 3.450 2.467 2.012 3.149 . 0 0 "[ . 1 . 2]" 1
2216 1 112 VAL MG2 1 117 VAL MG1 . . 3.340 2.788 2.146 3.300 . 0 0 "[ . 1 . 2]" 1
2217 1 113 GLN H 1 113 GLN QB . . 2.960 2.367 2.221 2.492 . 0 0 "[ . 1 . 2]" 1
2218 1 113 GLN H 1 113 GLN QG . . 3.480 2.436 2.119 3.297 . 0 0 "[ . 1 . 2]" 1
2219 1 113 GLN H 1 114 LYS H . . 3.390 2.645 2.434 2.925 . 0 0 "[ . 1 . 2]" 1
2220 1 113 GLN H 1 115 GLY H . . 4.610 3.981 3.797 4.122 . 0 0 "[ . 1 . 2]" 1
2221 1 113 GLN HA 1 113 GLN QG . . 3.360 2.556 2.228 2.946 . 0 0 "[ . 1 . 2]" 1
2222 1 113 GLN HA 1 115 GLY H . . 4.190 4.085 3.790 4.188 . 0 0 "[ . 1 . 2]" 1
2223 1 113 GLN QB 1 114 LYS H . . 3.300 2.494 2.207 2.810 . 0 0 "[ . 1 . 2]" 1
2224 1 113 GLN QB 1 114 LYS HA . . 4.080 3.842 3.788 3.930 . 0 0 "[ . 1 . 2]" 1
2225 1 113 GLN QB 1 114 LYS QD . . 4.990 3.861 2.547 4.697 . 0 0 "[ . 1 . 2]" 1
2226 1 113 GLN QB 1 114 LYS QG . . 4.460 3.905 3.502 4.446 . 0 0 "[ . 1 . 2]" 1
2227 1 113 GLN QG 1 114 LYS H . . 4.370 4.105 3.903 4.371 0.001 8 0 "[ . 1 . 2]" 1
2228 1 114 LYS H 1 114 LYS HB2 . . 3.540 2.248 2.192 2.334 . 0 0 "[ . 1 . 2]" 1
2229 1 114 LYS H 1 114 LYS QB . . 2.950 2.224 2.170 2.305 . 0 0 "[ . 1 . 2]" 1
2230 1 114 LYS H 1 114 LYS HB3 . . 3.540 3.528 3.498 3.563 0.023 2 0 "[ . 1 . 2]" 1
2231 1 114 LYS H 1 114 LYS QD . . 4.000 3.242 1.902 4.003 0.003 1 0 "[ . 1 . 2]" 1
2232 1 114 LYS H 1 114 LYS QG . . 3.570 2.941 2.489 3.511 . 0 0 "[ . 1 . 2]" 1
2233 1 114 LYS H 1 115 GLY H . . 3.180 2.695 2.567 2.785 . 0 0 "[ . 1 . 2]" 1
2234 1 114 LYS H 1 116 LEU H . . 4.310 4.181 3.991 4.297 . 0 0 "[ . 1 . 2]" 1
2235 1 114 LYS HA 1 114 LYS HD2 . . 4.020 2.631 2.000 3.785 . 0 0 "[ . 1 . 2]" 1
2236 1 114 LYS HA 1 114 LYS QD . . 3.400 2.373 1.985 3.108 . 0 0 "[ . 1 . 2]" 1
2237 1 114 LYS HA 1 114 LYS HD3 . . 4.020 3.332 2.422 3.870 . 0 0 "[ . 1 . 2]" 1
2238 1 114 LYS HA 1 114 LYS QE . . 4.680 4.034 3.563 4.699 0.019 7 0 "[ . 1 . 2]" 1
2239 1 114 LYS HA 1 114 LYS QG . . 3.360 2.459 2.143 2.632 . 0 0 "[ . 1 . 2]" 1
2240 1 114 LYS QB 1 114 LYS QD . . 3.290 2.435 2.035 2.602 . 0 0 "[ . 1 . 2]" 1
2241 1 114 LYS QB 1 114 LYS QE . . 3.460 2.496 1.979 3.366 . 0 0 "[ . 1 . 2]" 1
2242 1 114 LYS QB 1 115 GLY H . . 3.840 2.824 2.697 3.096 . 0 0 "[ . 1 . 2]" 1
2243 1 114 LYS QB 1 116 LEU MD1 . . 3.400 2.723 2.515 3.079 . 0 0 "[ . 1 . 2]" 1
2244 1 114 LYS HB2 1 114 LYS QE . . 4.030 3.280 2.322 3.841 . 0 0 "[ . 1 . 2]" 1
2245 1 114 LYS HB2 1 115 GLY H . . 4.390 2.966 2.787 3.289 . 0 0 "[ . 1 . 2]" 1
2246 1 114 LYS HB2 1 116 LEU H . . 4.110 3.440 3.174 3.704 . 0 0 "[ . 1 . 2]" 1
2247 1 114 LYS HB2 1 116 LEU MD1 . . 3.960 2.973 2.726 3.353 . 0 0 "[ . 1 . 2]" 1
2248 1 114 LYS HB2 1 116 LEU HG . . 4.030 3.510 3.075 3.845 . 0 0 "[ . 1 . 2]" 1
2249 1 114 LYS HB3 1 114 LYS QE . . 4.030 2.909 1.993 4.056 0.026 7 0 "[ . 1 . 2]" 1
2250 1 114 LYS HB3 1 115 GLY H . . 4.390 3.553 3.409 3.772 . 0 0 "[ . 1 . 2]" 1
2251 1 114 LYS HB3 1 116 LEU H . . 4.110 3.931 3.608 4.093 . 0 0 "[ . 1 . 2]" 1
2252 1 114 LYS HB3 1 116 LEU MD1 . . 3.960 3.173 2.918 3.586 . 0 0 "[ . 1 . 2]" 1
2253 1 114 LYS HB3 1 116 LEU HG . . 4.030 3.078 2.697 3.479 . 0 0 "[ . 1 . 2]" 1
2254 1 114 LYS QD 1 115 GLY H . . 5.340 4.725 4.292 5.102 . 0 0 "[ . 1 . 2]" 1
2255 1 114 LYS QE 1 114 LYS QG . . 3.370 2.199 2.034 2.611 . 0 0 "[ . 1 . 2]" 1
2256 1 114 LYS QE 1 116 LEU MD1 . . 4.050 3.552 2.968 4.053 0.003 7 0 "[ . 1 . 2]" 1
2257 1 114 LYS QG 1 115 GLY H . . 4.900 4.477 4.241 4.777 . 0 0 "[ . 1 . 2]" 1
2258 1 114 LYS QG 1 116 LEU MD1 . . 4.280 3.446 3.219 3.715 . 0 0 "[ . 1 . 2]" 1
2259 1 115 GLY H 1 116 LEU HG . . 4.820 4.253 3.663 4.678 . 0 0 "[ . 1 . 2]" 1
2260 1 115 GLY H 1 117 VAL H . . 4.390 3.848 3.654 4.215 . 0 0 "[ . 1 . 2]" 1
2261 1 115 GLY HA2 1 117 VAL H . . 4.590 4.213 3.795 4.489 . 0 0 "[ . 1 . 2]" 1
2262 1 116 LEU H 1 116 LEU HB2 . . 3.290 2.343 2.247 2.501 . 0 0 "[ . 1 . 2]" 1
2263 1 116 LEU H 1 116 LEU HB3 . . 3.730 3.594 3.535 3.671 . 0 0 "[ . 1 . 2]" 1
2264 1 116 LEU H 1 116 LEU MD1 . . 3.870 3.667 3.429 3.856 . 0 0 "[ . 1 . 2]" 1
2265 1 116 LEU H 1 116 LEU MD2 . . 4.430 4.018 3.740 4.180 . 0 0 "[ . 1 . 2]" 1
2266 1 116 LEU H 1 116 LEU HG . . 3.280 2.955 2.676 3.185 . 0 0 "[ . 1 . 2]" 1
2267 1 116 LEU H 1 117 VAL H . . 3.090 2.292 2.159 2.529 . 0 0 "[ . 1 . 2]" 1
2268 1 116 LEU H 1 117 VAL HB . . 4.990 4.702 4.489 4.936 . 0 0 "[ . 1 . 2]" 1
2269 1 116 LEU H 1 117 VAL MG2 . . 4.500 4.299 4.060 4.464 . 0 0 "[ . 1 . 2]" 1
2270 1 116 LEU HA 1 116 LEU MD1 . . 4.050 3.867 3.829 3.899 . 0 0 "[ . 1 . 2]" 1
2271 1 116 LEU HA 1 116 LEU MD2 . . 2.870 2.223 1.977 2.450 . 0 0 "[ . 1 . 2]" 1
2272 1 116 LEU HA 1 116 LEU HG . . 3.810 2.808 2.661 3.080 . 0 0 "[ . 1 . 2]" 1
2273 1 116 LEU HB2 1 116 LEU MD1 . . 3.410 2.225 2.070 2.381 . 0 0 "[ . 1 . 2]" 1
2274 1 116 LEU HB2 1 116 LEU MD2 . . 3.620 3.165 3.140 3.195 . 0 0 "[ . 1 . 2]" 1
2275 1 116 LEU HB2 1 117 VAL H . . 4.000 2.596 2.418 2.854 . 0 0 "[ . 1 . 2]" 1
2276 1 116 LEU HB2 1 117 VAL HA . . 4.990 4.712 4.531 4.885 . 0 0 "[ . 1 . 2]" 1
2277 1 116 LEU HB2 1 117 VAL MG2 . . 4.510 3.127 2.923 3.387 . 0 0 "[ . 1 . 2]" 1
2278 1 116 LEU HB3 1 116 LEU MD1 . . 3.220 2.475 2.277 2.649 . 0 0 "[ . 1 . 2]" 1
2279 1 116 LEU HB3 1 116 LEU MD2 . . 3.230 2.223 2.093 2.346 . 0 0 "[ . 1 . 2]" 1
2280 1 116 LEU HB3 1 117 VAL H . . 4.220 3.417 3.037 3.665 . 0 0 "[ . 1 . 2]" 1
2281 1 116 LEU HB3 1 117 VAL MG2 . . 3.390 3.029 2.829 3.379 . 0 0 "[ . 1 . 2]" 1
2282 1 116 LEU MD1 1 117 VAL H . . 4.760 4.394 4.145 4.756 . 0 0 "[ . 1 . 2]" 1
2283 1 116 LEU MD1 1 117 VAL MG2 . . 4.990 4.012 3.903 4.156 . 0 0 "[ . 1 . 2]" 1
2284 1 116 LEU MD2 1 117 VAL H . . 5.240 4.716 4.578 4.804 . 0 0 "[ . 1 . 2]" 1
2285 1 116 LEU HG 1 117 VAL H . . 4.750 4.552 4.287 4.682 . 0 0 "[ . 1 . 2]" 1
2286 1 117 VAL H 1 117 VAL HB . . 3.370 2.576 2.458 2.697 . 0 0 "[ . 1 . 2]" 1
2287 1 117 VAL H 1 117 VAL MG1 . . 4.380 3.819 3.764 3.861 . 0 0 "[ . 1 . 2]" 1
2288 1 117 VAL H 1 117 VAL MG2 . . 3.550 2.669 2.315 2.925 . 0 0 "[ . 1 . 2]" 1
2289 1 117 VAL HA 1 117 VAL MG1 . . 3.250 2.388 2.310 2.469 . 0 0 "[ . 1 . 2]" 1
2290 1 117 VAL HA 1 117 VAL MG2 . . 3.240 2.369 2.277 2.434 . 0 0 "[ . 1 . 2]" 1
2291 1 119 THR HA 1 119 THR MG . . 3.560 2.546 2.206 3.206 . 0 0 "[ . 1 . 2]" 1
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