NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550862 |
2lt5   |
17973 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lt5
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 1994
_Distance_constraint_stats_list.Viol_count 5340
_Distance_constraint_stats_list.Viol_total 5056.614
_Distance_constraint_stats_list.Viol_max 0.864
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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 2 PRO 3.175 0.166 1 0 "[ . 1 . 2]"
1 3 CYS 1.942 0.130 13 0 "[ . 1 . 2]"
1 4 LYS 2.463 0.295 7 0 "[ . 1 . 2]"
1 5 TYR 4.819 0.125 5 0 "[ . 1 . 2]"
1 6 LYS 2.638 0.086 17 0 "[ . 1 . 2]"
1 7 LEU 2.044 0.174 9 0 "[ . 1 . 2]"
1 8 LYS 1.284 0.174 9 0 "[ . 1 . 2]"
1 9 LYS 1.084 0.110 18 0 "[ . 1 . 2]"
1 10 SER 0.626 0.095 13 0 "[ . 1 . 2]"
1 11 THR 3.764 0.096 1 0 "[ . 1 . 2]"
1 12 ASN 7.440 0.201 2 0 "[ . 1 . 2]"
1 13 LYS 6.909 0.125 7 0 "[ . 1 . 2]"
1 14 PHE 6.546 0.137 11 0 "[ . 1 . 2]"
1 15 CYS 3.658 0.131 1 0 "[ . 1 . 2]"
1 16 VAL 10.713 0.155 4 0 "[ . 1 . 2]"
1 17 THR 4.982 0.156 3 0 "[ . 1 . 2]"
1 18 CYS 4.160 0.101 19 0 "[ . 1 . 2]"
1 19 GLU 2.748 0.071 13 0 "[ . 1 . 2]"
1 20 ASN 4.193 0.139 10 0 "[ . 1 . 2]"
1 21 GLN 8.371 0.094 11 0 "[ . 1 . 2]"
1 22 ALA 13.065 0.151 5 0 "[ . 1 . 2]"
1 23 PRO 8.120 0.151 5 0 "[ . 1 . 2]"
1 24 VAL 8.588 0.161 13 0 "[ . 1 . 2]"
1 25 HIS 8.380 0.351 18 0 "[ . 1 . 2]"
1 26 PHE 2.733 0.226 17 0 "[ . 1 . 2]"
1 27 VAL 3.845 0.155 4 0 "[ . 1 . 2]"
1 28 GLY 1.214 0.051 17 0 "[ . 1 . 2]"
1 29 VAL 3.707 0.314 17 0 "[ . 1 . 2]"
1 30 GLY 4.958 0.144 18 0 "[ . 1 . 2]"
1 31 SER 1.991 0.094 12 0 "[ . 1 . 2]"
1 32 CYS 1.509 0.124 20 0 "[ . 1 . 2]"
1 33 GLY 1.634 0.124 20 0 "[ . 1 . 2]"
1 34 SER 0.684 0.195 1 0 "[ . 1 . 2]"
1 35 GLY 0.016 0.016 1 0 "[ . 1 . 2]"
1 36 GLY 0.152 0.071 20 0 "[ . 1 . 2]"
1 37 SER 0.283 0.071 20 0 "[ . 1 . 2]"
1 38 GLY 0.382 0.050 2 0 "[ . 1 . 2]"
1 39 ILE 4.193 0.481 16 0 "[ . 1 . 2]"
1 40 PHE 2.925 0.131 7 0 "[ . 1 . 2]"
1 41 LEU 4.331 0.481 16 0 "[ . 1 . 2]"
1 42 GLU 3.761 0.220 13 0 "[ . 1 . 2]"
1 43 THR 2.064 0.116 5 0 "[ . 1 . 2]"
1 44 SER 0.024 0.013 11 0 "[ . 1 . 2]"
1 45 LEU 8.663 0.351 18 0 "[ . 1 . 2]"
1 46 SER 1.502 0.116 8 0 "[ . 1 . 2]"
1 47 ALA 1.273 0.116 8 0 "[ . 1 . 2]"
1 48 GLY 0.521 0.062 10 0 "[ . 1 . 2]"
1 49 SER 3.858 0.150 14 0 "[ . 1 . 2]"
1 50 ASP 2.822 0.108 18 0 "[ . 1 . 2]"
1 51 TRP 9.658 0.226 16 0 "[ . 1 . 2]"
1 52 LEU 2.987 0.373 16 0 "[ . 1 . 2]"
1 53 THR 1.289 0.073 9 0 "[ . 1 . 2]"
1 54 PHE 3.826 0.105 13 0 "[ . 1 . 2]"
1 55 GLN 8.940 0.373 16 0 "[ . 1 . 2]"
1 56 LYS 5.329 0.212 18 0 "[ . 1 . 2]"
1 57 LYS 1.938 0.090 16 0 "[ . 1 . 2]"
1 58 HIS 4.250 0.148 12 0 "[ . 1 . 2]"
1 59 ILE 5.567 0.160 5 0 "[ . 1 . 2]"
1 60 THR 2.082 0.099 15 0 "[ . 1 . 2]"
1 61 ASN 2.295 0.117 19 0 "[ . 1 . 2]"
1 62 THR 1.150 0.054 16 0 "[ . 1 . 2]"
1 63 ARG 6.049 0.151 6 0 "[ . 1 . 2]"
1 64 ASP 1.529 0.074 16 0 "[ . 1 . 2]"
1 65 VAL 8.769 0.591 20 3 "[ - 1 * . +]"
1 66 ASP 0.761 0.043 5 0 "[ . 1 . 2]"
1 67 CYS 0.072 0.020 3 0 "[ . 1 . 2]"
1 68 ASP 3.023 0.166 1 0 "[ . 1 . 2]"
1 69 ASN 6.730 0.174 4 0 "[ . 1 . 2]"
1 70 ILE 5.772 0.116 18 0 "[ . 1 . 2]"
1 71 MET 3.395 0.174 4 0 "[ . 1 . 2]"
1 72 SER 0.067 0.022 19 0 "[ . 1 . 2]"
1 73 THR 0.553 0.043 15 0 "[ . 1 . 2]"
1 74 ASN 2.307 0.107 11 0 "[ . 1 . 2]"
1 75 LEU 4.188 0.107 11 0 "[ . 1 . 2]"
1 76 PHE 5.865 0.158 13 0 "[ . 1 . 2]"
1 77 HIS 4.271 0.119 10 0 "[ . 1 . 2]"
1 78 CYS 2.821 0.158 13 0 "[ . 1 . 2]"
1 79 LYS 5.609 0.142 13 0 "[ . 1 . 2]"
1 80 ASP 4.068 0.271 4 0 "[ . 1 . 2]"
1 81 LYS 3.647 0.162 11 0 "[ . 1 . 2]"
1 82 ASN 6.785 0.576 13 1 "[ . 1 + . 2]"
1 83 THR 5.148 0.314 17 0 "[ . 1 . 2]"
1 84 PHE 8.602 0.222 12 0 "[ . 1 . 2]"
1 85 ILE 5.076 0.099 15 0 "[ . 1 . 2]"
1 86 TYR 3.229 0.118 13 0 "[ . 1 . 2]"
1 87 SER 1.329 0.069 19 0 "[ . 1 . 2]"
1 88 ARG 2.593 0.083 13 0 "[ . 1 . 2]"
1 89 PRO 0.103 0.022 19 0 "[ . 1 . 2]"
1 90 GLU 3.157 0.101 9 0 "[ . 1 . 2]"
1 91 PRO 5.964 0.101 9 0 "[ . 1 . 2]"
1 92 VAL 8.135 0.140 18 0 "[ . 1 . 2]"
1 93 LYS 9.488 0.169 19 0 "[ . 1 . 2]"
1 94 ALA 3.749 0.082 4 0 "[ . 1 . 2]"
1 95 ILE 4.860 0.091 1 0 "[ . 1 . 2]"
1 96 CYS 4.448 0.082 4 0 "[ . 1 . 2]"
1 97 LYS 1.470 0.045 2 0 "[ . 1 . 2]"
1 98 GLY 2.119 0.088 11 0 "[ . 1 . 2]"
1 99 ILE 3.317 0.054 3 0 "[ . 1 . 2]"
1 100 ILE 1.263 0.074 11 0 "[ . 1 . 2]"
1 101 ALA 1.203 0.088 14 0 "[ . 1 . 2]"
1 102 SER 2.732 0.139 10 0 "[ . 1 . 2]"
1 103 LYS 3.152 0.101 19 0 "[ . 1 . 2]"
1 104 ASN 8.618 0.173 20 0 "[ . 1 . 2]"
1 105 VAL 1.470 0.070 11 0 "[ . 1 . 2]"
1 106 LEU 9.274 0.144 1 0 "[ . 1 . 2]"
1 107 THR 4.943 0.125 7 0 "[ . 1 . 2]"
1 108 THR 2.179 0.176 20 0 "[ . 1 . 2]"
1 109 SER 1.385 0.089 18 0 "[ . 1 . 2]"
1 110 GLU 2.589 0.078 4 0 "[ . 1 . 2]"
1 111 PHE 4.803 0.108 12 0 "[ . 1 . 2]"
1 112 TYR 2.395 0.118 13 0 "[ . 1 . 2]"
1 113 LEU 11.645 0.864 12 8 "[ *. *- 1 +**. * *]"
1 114 SER 9.279 0.591 20 2 "[ - 1 . +]"
1 115 ASP 9.586 0.864 12 8 "[ *. *- 1 +**. * *]"
1 116 CYS 3.544 0.123 5 0 "[ . 1 . 2]"
1 117 ASN 1.233 0.064 14 0 "[ . 1 . 2]"
1 118 VAL 8.437 0.295 7 0 "[ . 1 . 2]"
1 119 THR 3.112 0.130 13 0 "[ . 1 . 2]"
1 120 SER 1.104 0.065 4 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 2 PRO QB 1 3 CYS H . . 3.330 2.992 2.787 3.131 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 71 MET H . . 4.890 4.074 3.822 4.377 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HB2 1 3 CYS H . . 3.960 3.095 2.860 3.263 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HB3 1 3 CYS H . . 3.960 3.974 3.852 4.030 0.070 20 0 "[ . 1 . 2]" 1
5 1 2 PRO HD2 1 3 CYS H . . 3.390 2.785 2.635 2.902 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HD2 1 68 ASP H . . 4.270 4.399 4.361 4.436 0.166 1 0 "[ . 1 . 2]" 1
7 1 2 PRO HD2 1 69 ASN H . . 4.900 4.723 4.493 4.922 0.022 3 0 "[ . 1 . 2]" 1
8 1 2 PRO HD2 1 70 ILE H . . 4.500 4.245 4.106 4.383 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HD2 1 70 ILE MD . . 4.890 4.354 3.793 4.677 . 0 0 "[ . 1 . 2]" 1
10 1 2 PRO HD2 1 71 MET H . . 4.140 4.071 3.871 4.174 0.034 16 0 "[ . 1 . 2]" 1
11 1 2 PRO HD2 1 71 MET QB . . 4.170 3.910 3.774 4.186 0.016 5 0 "[ . 1 . 2]" 1
12 1 2 PRO HD3 1 3 CYS H . . 4.040 3.885 3.790 3.974 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO QG 1 3 CYS H . . 4.190 2.043 1.930 2.161 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO QG 1 70 ILE HG13 . . 4.190 2.676 2.302 3.138 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS H 1 3 CYS HB2 . . 3.340 3.048 2.780 3.294 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS H 1 3 CYS HB3 . . 3.950 3.919 3.855 3.960 0.010 13 0 "[ . 1 . 2]" 1
17 1 3 CYS H 1 4 LYS H . . 4.470 4.402 4.349 4.437 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 4 LYS H . . 2.900 2.565 2.374 2.823 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HB2 1 4 LYS H . . 3.840 3.108 2.679 3.652 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HB2 1 5 TYR QD . . 4.860 3.975 3.441 4.182 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HB2 1 119 THR H . . 5.500 5.571 5.493 5.630 0.130 13 0 "[ . 1 . 2]" 1
22 1 3 CYS HB3 1 4 LYS H . . 3.310 2.442 2.055 2.700 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HB3 1 5 TYR QD . . 5.420 5.058 4.655 5.400 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS H 1 4 LYS HB2 . . 3.100 2.516 2.400 2.593 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS H 1 4 LYS HB3 . . 3.750 3.694 3.615 3.751 0.001 12 0 "[ . 1 . 2]" 1
26 1 4 LYS H 1 4 LYS HG2 . . 3.970 2.707 2.396 3.275 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 4 LYS QG . . 3.360 2.654 2.369 3.137 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS H 1 4 LYS HG3 . . 3.970 3.897 3.660 4.058 0.088 12 0 "[ . 1 . 2]" 1
29 1 4 LYS H 1 5 TYR H . . 4.560 4.495 4.398 4.571 0.011 5 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 118 VAL QG . . 3.640 3.606 3.315 3.935 0.295 7 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 119 THR H . . 4.300 4.200 3.812 4.339 0.039 1 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 119 THR MG . . 5.370 4.822 4.423 5.474 0.104 16 0 "[ . 1 . 2]" 1
33 1 4 LYS HA 1 4 LYS QD . . 4.060 2.564 2.259 3.477 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS HA 1 5 TYR H . . 2.560 2.163 2.105 2.225 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS HA 1 5 TYR QD . . 4.530 3.398 2.999 3.817 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS HB2 1 5 TYR H . . 4.260 4.086 3.898 4.213 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS HB2 1 5 TYR QD . . 5.500 5.522 5.444 5.545 0.045 4 0 "[ . 1 . 2]" 1
38 1 4 LYS HB2 1 119 THR H . . 4.260 3.465 3.006 3.866 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS HB3 1 5 TYR H . . 3.290 3.145 2.766 3.323 0.033 3 0 "[ . 1 . 2]" 1
40 1 4 LYS HB3 1 5 TYR QD . . 5.500 5.342 5.018 5.550 0.050 15 0 "[ . 1 . 2]" 1
41 1 4 LYS HB3 1 119 THR H . . 4.990 4.205 3.654 4.500 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS QD 1 5 TYR H . . 4.340 4.103 3.612 4.261 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS QE 1 5 TYR H . . 4.220 3.682 2.813 4.220 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR H 1 5 TYR HB2 . . 2.980 2.815 2.713 2.883 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR H 1 5 TYR HB3 . . 4.170 3.883 3.824 3.922 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR H 1 5 TYR QD . . 4.040 2.920 2.803 3.207 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR H 1 6 LYS H . . 4.560 4.431 4.385 4.467 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR H 1 118 VAL HA . . 4.880 4.806 4.703 4.886 0.006 9 0 "[ . 1 . 2]" 1
49 1 5 TYR H 1 118 VAL QG . . 5.350 5.027 4.830 5.250 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR H 1 119 THR MG . . 3.980 3.366 3.197 3.870 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR HA 1 6 LYS H . . 2.930 2.287 2.193 2.345 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR HA 1 6 LYS QD . . 4.210 4.061 3.546 4.296 0.086 17 0 "[ . 1 . 2]" 1
53 1 5 TYR HA 1 117 ASN H . . 4.970 4.341 3.957 4.897 . 0 0 "[ . 1 . 2]" 1
54 1 5 TYR HA 1 118 VAL H . . 4.680 4.525 4.431 4.581 . 0 0 "[ . 1 . 2]" 1
55 1 5 TYR HA 1 118 VAL HA . . 3.560 2.382 2.271 2.476 . 0 0 "[ . 1 . 2]" 1
56 1 5 TYR HA 1 119 THR H . . 3.020 2.871 2.759 3.018 . 0 0 "[ . 1 . 2]" 1
57 1 5 TYR HB2 1 6 LYS H . . 3.850 3.619 3.513 3.793 . 0 0 "[ . 1 . 2]" 1
58 1 5 TYR HB3 1 6 LYS H . . 3.270 2.528 2.404 2.628 . 0 0 "[ . 1 . 2]" 1
59 1 5 TYR HB3 1 117 ASN H . . 3.550 3.055 2.666 3.548 . 0 0 "[ . 1 . 2]" 1
60 1 5 TYR QD 1 6 LYS QD . . 5.500 5.363 4.909 5.579 0.079 8 0 "[ . 1 . 2]" 1
61 1 5 TYR QD 1 6 LYS QG . . 5.500 5.424 5.135 5.542 0.042 9 0 "[ . 1 . 2]" 1
62 1 5 TYR QD 1 80 ASP HA . . 5.170 5.186 5.105 5.217 0.047 8 0 "[ . 1 . 2]" 1
63 1 5 TYR QD 1 81 LYS HA . . 4.340 3.821 3.633 3.977 . 0 0 "[ . 1 . 2]" 1
64 1 5 TYR QD 1 81 LYS HB3 . . 4.950 4.906 4.477 5.021 0.071 18 0 "[ . 1 . 2]" 1
65 1 5 TYR QD 1 82 ASN H . . 5.500 5.260 4.994 5.417 . 0 0 "[ . 1 . 2]" 1
66 1 5 TYR QD 1 117 ASN H . . 4.570 3.741 3.252 4.214 . 0 0 "[ . 1 . 2]" 1
67 1 5 TYR QD 1 117 ASN HA . . 4.600 3.378 3.152 3.574 . 0 0 "[ . 1 . 2]" 1
68 1 5 TYR QD 1 117 ASN HB2 . . 5.500 5.221 5.025 5.399 . 0 0 "[ . 1 . 2]" 1
69 1 5 TYR QD 1 118 VAL H . . 3.590 2.996 2.879 3.136 . 0 0 "[ . 1 . 2]" 1
70 1 5 TYR QD 1 118 VAL HA . . 4.240 2.656 2.600 2.764 . 0 0 "[ . 1 . 2]" 1
71 1 5 TYR QD 1 118 VAL HB . . 4.290 4.297 3.517 4.415 0.125 5 0 "[ . 1 . 2]" 1
72 1 5 TYR QD 1 118 VAL MG1 . . 4.430 4.446 4.425 4.472 0.042 5 0 "[ . 1 . 2]" 1
73 1 5 TYR QD 1 118 VAL QG . . 3.710 2.713 2.497 3.827 0.117 20 0 "[ . 1 . 2]" 1
74 1 5 TYR QD 1 118 VAL MG2 . . 4.430 2.761 2.511 4.175 . 0 0 "[ . 1 . 2]" 1
75 1 5 TYR QD 1 119 THR H . . 5.360 4.547 4.477 4.629 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS H 1 6 LYS QB . . 3.680 2.618 2.335 2.940 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS H 1 6 LYS QD . . 3.140 2.965 2.452 3.190 0.050 20 0 "[ . 1 . 2]" 1
78 1 6 LYS H 1 6 LYS QG . . 3.890 2.387 2.190 2.559 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS H 1 7 LEU H . . 4.580 4.570 4.516 4.592 0.012 18 0 "[ . 1 . 2]" 1
80 1 6 LYS H 1 116 CYS HA . . 4.780 4.430 4.221 4.661 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS H 1 117 ASN H . . 3.300 2.822 2.514 3.304 0.004 12 0 "[ . 1 . 2]" 1
82 1 6 LYS H 1 117 ASN HB2 . . 4.380 3.744 3.507 3.943 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS H 1 118 VAL HA . . 4.160 3.997 3.888 4.158 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS H 1 118 VAL QG . . 5.440 4.961 4.864 5.126 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS H 1 119 THR H . . 5.040 4.635 4.447 4.743 . 0 0 "[ . 1 . 2]" 1
86 1 6 LYS H 1 119 THR HB . . 5.500 4.360 3.593 5.557 0.057 8 0 "[ . 1 . 2]" 1
87 1 6 LYS H 1 119 THR MG . . 3.800 3.145 2.472 3.501 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS QB 1 7 LEU H . . 2.550 2.551 2.408 2.600 0.050 14 0 "[ . 1 . 2]" 1
89 1 6 LYS QD 1 117 ASN H . . 4.110 3.959 3.650 4.149 0.039 20 0 "[ . 1 . 2]" 1
90 1 6 LYS QD 1 117 ASN HB3 . . 3.710 2.777 2.424 3.193 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS QD 1 119 THR H . . 5.280 4.526 4.133 4.958 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS QD 1 120 SER H . . 5.500 5.511 5.391 5.565 0.065 4 0 "[ . 1 . 2]" 1
93 1 6 LYS QE 1 7 LEU H . . 5.500 5.063 4.667 5.543 0.043 12 0 "[ . 1 . 2]" 1
94 1 6 LYS QG 1 7 LEU H . . 4.000 3.819 3.505 4.019 0.019 14 0 "[ . 1 . 2]" 1
95 1 6 LYS QG 1 117 ASN H . . 4.600 3.609 2.504 4.589 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU H 1 7 LEU HB2 . . 3.360 2.316 2.123 2.608 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU H 1 7 LEU QB . . 2.760 2.199 2.097 2.336 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU H 1 7 LEU HB3 . . 3.360 2.876 2.564 3.415 0.055 5 0 "[ . 1 . 2]" 1
99 1 7 LEU H 1 7 LEU MD1 . . 4.470 4.298 4.187 4.365 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU H 1 7 LEU QD . . 3.840 3.499 2.801 3.811 . 0 0 "[ . 1 . 2]" 1
101 1 7 LEU H 1 7 LEU MD2 . . 4.470 3.756 2.844 4.353 . 0 0 "[ . 1 . 2]" 1
102 1 7 LEU H 1 7 LEU HG . . 5.200 4.520 4.202 4.702 . 0 0 "[ . 1 . 2]" 1
103 1 7 LEU H 1 8 LYS H . . 4.610 4.385 4.251 4.519 . 0 0 "[ . 1 . 2]" 1
104 1 7 LEU HA 1 7 LEU MD1 . . 4.420 2.407 2.144 2.701 . 0 0 "[ . 1 . 2]" 1
105 1 7 LEU HA 1 7 LEU QD . . 3.220 2.061 1.946 2.382 . 0 0 "[ . 1 . 2]" 1
106 1 7 LEU HA 1 7 LEU MD2 . . 4.420 2.375 2.171 3.867 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU HA 1 8 LYS H . . 2.560 2.135 2.059 2.209 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU HA 1 9 LYS H . . 5.500 5.501 5.113 5.610 0.110 18 0 "[ . 1 . 2]" 1
109 1 7 LEU HA 1 117 ASN H . . 5.500 5.320 5.079 5.504 0.004 17 0 "[ . 1 . 2]" 1
110 1 7 LEU QD 1 8 LYS H . . 3.140 2.772 2.525 3.314 0.174 9 0 "[ . 1 . 2]" 1
111 1 7 LEU QD 1 9 LYS H . . 5.440 3.727 3.156 4.703 . 0 0 "[ . 1 . 2]" 1
112 1 7 LEU QD 1 9 LYS QE . . 3.650 2.311 2.085 2.647 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU MD1 1 8 LYS H . . 4.220 2.855 2.576 3.446 . 0 0 "[ . 1 . 2]" 1
114 1 7 LEU MD2 1 8 LYS H . . 4.220 3.764 3.419 4.314 0.094 14 0 "[ . 1 . 2]" 1
115 1 7 LEU HG 1 9 LYS QE . . 5.340 4.803 3.200 5.339 . 0 0 "[ . 1 . 2]" 1
116 1 8 LYS H 1 8 LYS HB2 . . 3.390 3.213 3.092 3.397 0.007 14 0 "[ . 1 . 2]" 1
117 1 8 LYS H 1 8 LYS HB3 . . 3.330 2.733 2.634 2.908 . 0 0 "[ . 1 . 2]" 1
118 1 8 LYS H 1 8 LYS QD . . 4.590 4.609 4.559 4.682 0.092 4 0 "[ . 1 . 2]" 1
119 1 8 LYS H 1 8 LYS QG . . 4.450 4.188 4.110 4.273 . 0 0 "[ . 1 . 2]" 1
120 1 8 LYS H 1 9 LYS QE . . 5.190 3.739 3.188 4.627 . 0 0 "[ . 1 . 2]" 1
121 1 8 LYS H 1 9 LYS QG . . 4.650 3.740 3.471 4.165 . 0 0 "[ . 1 . 2]" 1
122 1 8 LYS H 1 116 CYS HA . . 4.340 3.652 3.388 3.828 . 0 0 "[ . 1 . 2]" 1
123 1 8 LYS H 1 117 ASN H . . 5.080 4.952 4.686 5.144 0.064 14 0 "[ . 1 . 2]" 1
124 1 8 LYS HA 1 8 LYS QD . . 4.160 2.205 2.103 2.320 . 0 0 "[ . 1 . 2]" 1
125 1 8 LYS HA 1 9 LYS H . . 2.610 2.115 2.049 2.191 . 0 0 "[ . 1 . 2]" 1
126 1 8 LYS HB2 1 117 ASN QD . . 4.220 3.325 2.779 3.753 . 0 0 "[ . 1 . 2]" 1
127 1 8 LYS HB3 1 115 ASP H . . 5.040 3.951 3.679 4.215 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS HB3 1 115 ASP HA . . 5.500 4.802 4.622 5.178 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS HB3 1 117 ASN HD21 . . 4.450 3.113 2.762 3.363 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HB3 1 117 ASN QD . . 3.720 3.023 2.671 3.269 . 0 0 "[ . 1 . 2]" 1
131 1 8 LYS HB3 1 117 ASN HD22 . . 4.450 4.111 3.452 4.460 0.010 16 0 "[ . 1 . 2]" 1
132 1 8 LYS QD 1 9 LYS H . . 3.140 2.931 2.560 3.148 0.008 13 0 "[ . 1 . 2]" 1
133 1 8 LYS QE 1 9 LYS H . . 5.010 4.500 4.217 4.817 . 0 0 "[ . 1 . 2]" 1
134 1 8 LYS QG 1 9 LYS H . . 4.680 3.613 3.344 4.022 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS QG 1 10 SER H . . 5.170 5.061 4.773 5.186 0.016 13 0 "[ . 1 . 2]" 1
136 1 8 LYS QG 1 115 ASP H . . 4.240 3.606 3.390 3.813 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS QG 1 116 CYS H . . 5.500 5.238 5.058 5.536 0.036 18 0 "[ . 1 . 2]" 1
138 1 8 LYS QG 1 117 ASN HD21 . . 4.580 3.340 3.041 3.710 . 0 0 "[ . 1 . 2]" 1
139 1 8 LYS QG 1 117 ASN QD . . 3.950 2.992 2.641 3.366 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS QG 1 117 ASN HD22 . . 4.580 3.402 2.848 3.861 . 0 0 "[ . 1 . 2]" 1
141 1 9 LYS H 1 9 LYS QB . . 2.910 2.668 2.468 2.773 . 0 0 "[ . 1 . 2]" 1
142 1 9 LYS H 1 9 LYS QD . . 4.570 4.063 3.574 4.245 . 0 0 "[ . 1 . 2]" 1
143 1 9 LYS H 1 9 LYS QE . . 4.820 4.767 4.551 4.867 0.047 9 0 "[ . 1 . 2]" 1
144 1 9 LYS H 1 9 LYS QG . . 3.300 2.893 2.672 3.023 . 0 0 "[ . 1 . 2]" 1
145 1 9 LYS H 1 10 SER H . . 4.630 4.487 4.362 4.581 . 0 0 "[ . 1 . 2]" 1
146 1 9 LYS HA 1 9 LYS HD2 . . 4.600 3.386 2.889 3.630 . 0 0 "[ . 1 . 2]" 1
147 1 9 LYS HA 1 9 LYS QD . . 3.770 2.178 2.121 2.227 . 0 0 "[ . 1 . 2]" 1
148 1 9 LYS HA 1 9 LYS HD3 . . 4.600 2.208 2.142 2.312 . 0 0 "[ . 1 . 2]" 1
149 1 9 LYS HA 1 10 SER H . . 2.520 2.194 2.115 2.260 . 0 0 "[ . 1 . 2]" 1
150 1 9 LYS HA 1 115 ASP H . . 3.910 3.201 2.920 3.398 . 0 0 "[ . 1 . 2]" 1
151 1 9 LYS QB 1 10 SER H . . 3.330 2.804 2.649 3.071 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS QD 1 10 SER H . . 3.820 3.657 3.550 3.824 0.004 5 0 "[ . 1 . 2]" 1
153 1 9 LYS QD 1 114 SER HA . . 4.440 2.271 2.092 2.698 . 0 0 "[ . 1 . 2]" 1
154 1 9 LYS QD 1 114 SER HB2 . . 5.340 3.110 2.826 3.464 . 0 0 "[ . 1 . 2]" 1
155 1 9 LYS QD 1 114 SER HG . . 4.720 3.999 3.709 4.453 . 0 0 "[ . 1 . 2]" 1
156 1 9 LYS QE 1 114 SER HG . . 4.860 3.661 2.760 4.337 . 0 0 "[ . 1 . 2]" 1
157 1 9 LYS QG 1 10 SER H . . 4.750 4.551 4.471 4.677 . 0 0 "[ . 1 . 2]" 1
158 1 10 SER H 1 10 SER QB . . 3.570 2.772 2.698 2.848 . 0 0 "[ . 1 . 2]" 1
159 1 10 SER H 1 113 LEU H . . 4.060 3.671 3.571 3.779 . 0 0 "[ . 1 . 2]" 1
160 1 10 SER H 1 113 LEU HB2 . . 4.470 3.889 3.694 4.230 . 0 0 "[ . 1 . 2]" 1
161 1 10 SER H 1 113 LEU HB3 . . 4.930 3.501 3.019 3.747 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER H 1 113 LEU QD . . 5.010 4.739 4.387 4.896 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER H 1 114 SER HA . . 4.170 3.848 3.635 3.993 . 0 0 "[ . 1 . 2]" 1
164 1 10 SER H 1 115 ASP H . . 4.560 4.431 4.212 4.565 0.005 9 0 "[ . 1 . 2]" 1
165 1 10 SER HA 1 11 THR H . . 2.650 2.507 2.425 2.616 . 0 0 "[ . 1 . 2]" 1
166 1 10 SER QB 1 11 THR H . . 4.140 2.585 2.188 3.204 . 0 0 "[ . 1 . 2]" 1
167 1 10 SER QB 1 12 ASN HD21 . . 4.420 4.026 2.985 4.452 0.032 1 0 "[ . 1 . 2]" 1
168 1 10 SER QB 1 12 ASN HD22 . . 4.540 3.308 3.107 3.714 . 0 0 "[ . 1 . 2]" 1
169 1 10 SER QB 1 113 LEU H . . 5.130 4.124 3.938 4.328 . 0 0 "[ . 1 . 2]" 1
170 1 10 SER QB 1 113 LEU HB3 . . 3.640 2.438 2.216 2.841 . 0 0 "[ . 1 . 2]" 1
171 1 10 SER QB 1 113 LEU QD . . 3.940 3.746 3.406 4.035 0.095 13 0 "[ . 1 . 2]" 1
172 1 10 SER QB 1 115 ASP H . . 4.990 5.000 4.928 5.027 0.037 8 0 "[ . 1 . 2]" 1
173 1 11 THR H 1 11 THR HB . . 3.100 3.097 3.042 3.133 0.033 3 0 "[ . 1 . 2]" 1
174 1 11 THR H 1 11 THR MG . . 4.020 4.028 4.013 4.040 0.020 3 0 "[ . 1 . 2]" 1
175 1 11 THR H 1 12 ASN H . . 4.210 3.947 3.874 3.998 . 0 0 "[ . 1 . 2]" 1
176 1 11 THR H 1 12 ASN HB2 . . 5.500 5.520 5.479 5.563 0.063 17 0 "[ . 1 . 2]" 1
177 1 11 THR H 1 12 ASN HB3 . . 4.810 4.007 3.854 4.140 . 0 0 "[ . 1 . 2]" 1
178 1 11 THR H 1 113 LEU H . . 4.820 4.665 4.571 4.740 . 0 0 "[ . 1 . 2]" 1
179 1 11 THR HA 1 11 THR MG . . 3.430 2.224 2.188 2.271 . 0 0 "[ . 1 . 2]" 1
180 1 11 THR HA 1 12 ASN H . . 2.500 2.147 2.126 2.168 . 0 0 "[ . 1 . 2]" 1
181 1 11 THR HA 1 111 PHE H . . 4.680 4.418 4.171 4.542 . 0 0 "[ . 1 . 2]" 1
182 1 11 THR HA 1 112 TYR QD . . 5.500 4.858 4.213 5.160 . 0 0 "[ . 1 . 2]" 1
183 1 11 THR HA 1 113 LEU H . . 3.160 2.614 2.538 2.661 . 0 0 "[ . 1 . 2]" 1
184 1 11 THR HB 1 12 ASN H . . 4.490 4.304 4.291 4.318 . 0 0 "[ . 1 . 2]" 1
185 1 11 THR MG 1 12 ASN H . . 2.980 3.026 3.005 3.054 0.074 2 0 "[ . 1 . 2]" 1
186 1 11 THR MG 1 12 ASN HB3 . . 4.850 4.904 4.871 4.946 0.096 1 0 "[ . 1 . 2]" 1
187 1 11 THR MG 1 111 PHE H . . 3.780 3.589 3.239 3.753 . 0 0 "[ . 1 . 2]" 1
188 1 11 THR MG 1 111 PHE HA . . 3.880 3.602 3.421 3.704 . 0 0 "[ . 1 . 2]" 1
189 1 11 THR MG 1 111 PHE HB2 . . 5.150 4.855 4.680 4.938 . 0 0 "[ . 1 . 2]" 1
190 1 11 THR MG 1 112 TYR H . . 4.850 3.878 3.701 4.030 . 0 0 "[ . 1 . 2]" 1
191 1 11 THR MG 1 112 TYR HA . . 3.810 2.627 2.479 2.743 . 0 0 "[ . 1 . 2]" 1
192 1 11 THR MG 1 112 TYR HB3 . . 5.500 4.944 4.661 5.112 . 0 0 "[ . 1 . 2]" 1
193 1 11 THR MG 1 112 TYR QD . . 3.390 3.073 2.442 3.410 0.020 18 0 "[ . 1 . 2]" 1
194 1 11 THR MG 1 112 TYR QE . . 4.320 3.653 3.093 3.976 . 0 0 "[ . 1 . 2]" 1
195 1 11 THR MG 1 113 LEU H . . 3.590 3.637 3.601 3.674 0.084 13 0 "[ . 1 . 2]" 1
196 1 12 ASN H 1 12 ASN HB2 . . 4.130 4.086 4.037 4.161 0.031 17 0 "[ . 1 . 2]" 1
197 1 12 ASN H 1 12 ASN HB3 . . 3.980 3.636 3.548 3.709 . 0 0 "[ . 1 . 2]" 1
198 1 12 ASN H 1 12 ASN HD21 . . 5.110 2.842 2.355 3.116 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASN H 1 29 VAL QG . . 4.870 4.695 4.340 4.838 . 0 0 "[ . 1 . 2]" 1
200 1 12 ASN H 1 110 GLU HB2 . . 5.500 5.222 5.117 5.391 . 0 0 "[ . 1 . 2]" 1
201 1 12 ASN H 1 110 GLU HB3 . . 3.900 3.701 3.625 3.823 . 0 0 "[ . 1 . 2]" 1
202 1 12 ASN H 1 111 PHE H . . 3.230 2.917 2.808 3.017 . 0 0 "[ . 1 . 2]" 1
203 1 12 ASN H 1 113 LEU H . . 4.200 3.743 3.606 3.944 . 0 0 "[ . 1 . 2]" 1
204 1 12 ASN H 1 113 LEU HB2 . . 3.290 3.095 2.599 3.308 0.018 6 0 "[ . 1 . 2]" 1
205 1 12 ASN H 1 113 LEU QD . . 4.240 2.828 2.696 2.961 . 0 0 "[ . 1 . 2]" 1
206 1 12 ASN H 1 113 LEU HG . . 5.010 4.057 3.449 4.307 . 0 0 "[ . 1 . 2]" 1
207 1 12 ASN HA 1 12 ASN HD21 . . 4.230 3.852 3.774 3.943 . 0 0 "[ . 1 . 2]" 1
208 1 12 ASN HA 1 12 ASN HD22 . . 5.150 5.046 5.012 5.099 . 0 0 "[ . 1 . 2]" 1
209 1 12 ASN HA 1 13 LYS H . . 2.610 2.434 2.369 2.527 . 0 0 "[ . 1 . 2]" 1
210 1 12 ASN HA 1 110 GLU HG2 . . 4.120 2.599 2.534 2.715 . 0 0 "[ . 1 . 2]" 1
211 1 12 ASN HA 1 110 GLU HG3 . . 4.580 4.154 4.086 4.222 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASN HA 1 111 PHE H . . 4.420 3.499 3.329 3.655 . 0 0 "[ . 1 . 2]" 1
213 1 12 ASN HB2 1 13 LYS H . . 3.090 2.271 2.107 2.352 . 0 0 "[ . 1 . 2]" 1
214 1 12 ASN HB2 1 29 VAL QG . . 4.190 4.118 3.872 4.391 0.201 2 0 "[ . 1 . 2]" 1
215 1 12 ASN HB2 1 30 GLY H . . 4.530 4.162 3.945 4.587 0.057 2 0 "[ . 1 . 2]" 1
216 1 12 ASN HB2 1 110 GLU HG2 . . 5.050 4.353 3.914 4.603 . 0 0 "[ . 1 . 2]" 1
217 1 12 ASN HB3 1 13 LYS H . . 3.890 3.563 3.459 3.700 . 0 0 "[ . 1 . 2]" 1
218 1 12 ASN HB3 1 30 GLY H . . 5.500 5.582 5.507 5.644 0.144 18 0 "[ . 1 . 2]" 1
219 1 12 ASN HD21 1 13 LYS H . . 5.030 4.024 3.685 4.812 . 0 0 "[ . 1 . 2]" 1
220 1 12 ASN HD21 1 29 VAL HB . . 5.480 5.495 5.232 5.610 0.130 17 0 "[ . 1 . 2]" 1
221 1 12 ASN HD21 1 29 VAL QG . . 3.210 2.712 2.464 3.112 . 0 0 "[ . 1 . 2]" 1
222 1 12 ASN HD21 1 30 GLY H . . 5.490 4.109 3.442 5.259 . 0 0 "[ . 1 . 2]" 1
223 1 12 ASN HD21 1 30 GLY QA . . 5.080 4.414 3.748 5.161 0.081 2 0 "[ . 1 . 2]" 1
224 1 12 ASN HD21 1 113 LEU HA . . 5.500 5.517 5.326 5.606 0.106 20 0 "[ . 1 . 2]" 1
225 1 12 ASN HD21 1 113 LEU HB3 . . 5.430 4.209 3.218 4.694 . 0 0 "[ . 1 . 2]" 1
226 1 12 ASN HD21 1 113 LEU QD . . 5.300 2.805 2.468 3.425 . 0 0 "[ . 1 . 2]" 1
227 1 12 ASN HD21 1 113 LEU HG . . 4.480 2.598 2.384 2.819 . 0 0 "[ . 1 . 2]" 1
228 1 12 ASN HD22 1 13 LYS H . . 5.500 5.194 5.028 5.285 . 0 0 "[ . 1 . 2]" 1
229 1 12 ASN HD22 1 29 VAL HB . . 4.540 4.306 3.823 4.642 0.102 19 0 "[ . 1 . 2]" 1
230 1 12 ASN HD22 1 29 VAL MG1 . . 4.740 2.277 1.780 4.089 . 0 0 "[ . 1 . 2]" 1
231 1 12 ASN HD22 1 29 VAL QG . . 3.440 1.865 1.778 1.959 . 0 0 "[ . 1 . 2]" 1
232 1 12 ASN HD22 1 29 VAL MG2 . . 4.740 3.545 1.824 4.233 . 0 0 "[ . 1 . 2]" 1
233 1 12 ASN HD22 1 30 GLY QA . . 4.650 4.314 4.021 4.655 0.005 1 0 "[ . 1 . 2]" 1
234 1 13 LYS H 1 13 LYS HB2 . . 3.730 3.552 3.521 3.584 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS H 1 13 LYS HB3 . . 2.830 2.839 2.722 2.891 0.061 10 0 "[ . 1 . 2]" 1
236 1 13 LYS H 1 13 LYS QD . . 3.820 2.276 1.799 3.585 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS H 1 13 LYS QE . . 4.620 2.975 2.152 3.519 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS H 1 13 LYS QG . . 3.460 2.099 1.757 2.213 . 0 0 "[ . 1 . 2]" 1
239 1 13 LYS H 1 14 PHE H . . 4.760 4.575 4.557 4.604 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS H 1 29 VAL QG . . 5.440 4.959 4.487 5.243 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS H 1 30 GLY H . . 4.780 4.475 4.266 4.627 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS H 1 30 GLY QA . . 4.030 3.632 3.400 3.848 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS H 1 106 LEU MD1 . . 4.860 4.748 4.650 4.884 0.024 1 0 "[ . 1 . 2]" 1
244 1 13 LYS H 1 110 GLU HA . . 4.220 3.217 3.115 3.399 . 0 0 "[ . 1 . 2]" 1
245 1 13 LYS H 1 110 GLU HB3 . . 4.610 4.586 4.330 4.647 0.037 18 0 "[ . 1 . 2]" 1
246 1 13 LYS H 1 110 GLU HG2 . . 3.660 3.392 3.108 3.514 . 0 0 "[ . 1 . 2]" 1
247 1 13 LYS H 1 111 PHE QE . . 4.970 4.830 4.737 4.980 0.010 1 0 "[ . 1 . 2]" 1
248 1 13 LYS H 1 113 LEU QD . . 5.440 4.933 4.814 5.025 . 0 0 "[ . 1 . 2]" 1
249 1 13 LYS HA 1 14 PHE H . . 2.980 2.425 2.383 2.472 . 0 0 "[ . 1 . 2]" 1
250 1 13 LYS HA 1 111 PHE H . . 4.350 3.690 3.552 3.884 . 0 0 "[ . 1 . 2]" 1
251 1 13 LYS HA 1 111 PHE QD . . 4.350 2.246 2.191 2.303 . 0 0 "[ . 1 . 2]" 1
252 1 13 LYS HA 1 111 PHE HZ . . 4.830 4.902 4.870 4.938 0.108 12 0 "[ . 1 . 2]" 1
253 1 13 LYS HB2 1 14 PHE H . . 3.040 2.170 2.090 2.250 . 0 0 "[ . 1 . 2]" 1
254 1 13 LYS HB2 1 107 THR H . . 4.430 2.880 2.813 3.212 . 0 0 "[ . 1 . 2]" 1
255 1 13 LYS HB2 1 111 PHE QD . . 5.500 4.748 4.627 4.819 . 0 0 "[ . 1 . 2]" 1
256 1 13 LYS HB3 1 14 PHE H . . 3.570 3.357 3.292 3.519 . 0 0 "[ . 1 . 2]" 1
257 1 13 LYS HB3 1 30 GLY H . . 5.500 5.543 5.508 5.588 0.088 11 0 "[ . 1 . 2]" 1
258 1 13 LYS HB3 1 30 GLY QA . . 4.990 4.875 4.659 4.990 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS HB3 1 107 THR HA . . 5.360 4.559 4.427 5.098 . 0 0 "[ . 1 . 2]" 1
260 1 13 LYS HB3 1 107 THR HB . . 4.240 2.350 2.225 2.697 . 0 0 "[ . 1 . 2]" 1
261 1 13 LYS HB3 1 109 SER H . . 4.840 3.699 3.551 3.840 . 0 0 "[ . 1 . 2]" 1
262 1 13 LYS QD 1 107 THR HB . . 3.820 3.927 3.901 3.945 0.125 7 0 "[ . 1 . 2]" 1
263 1 13 LYS QD 1 108 THR H . . 4.290 4.217 4.064 4.298 0.008 9 0 "[ . 1 . 2]" 1
264 1 13 LYS QD 1 108 THR HA . . 4.340 2.432 2.297 2.605 . 0 0 "[ . 1 . 2]" 1
265 1 13 LYS QG 1 14 PHE H . . 4.360 3.732 3.543 3.826 . 0 0 "[ . 1 . 2]" 1
266 1 13 LYS QG 1 14 PHE HA . . 4.460 4.498 4.310 4.555 0.095 10 0 "[ . 1 . 2]" 1
267 1 13 LYS QG 1 30 GLY H . . 3.810 3.361 3.260 3.509 . 0 0 "[ . 1 . 2]" 1
268 1 13 LYS QG 1 31 SER H . . 4.680 4.429 4.197 4.640 . 0 0 "[ . 1 . 2]" 1
269 1 13 LYS QG 1 109 SER H . . 5.500 5.544 5.497 5.589 0.089 18 0 "[ . 1 . 2]" 1
270 1 14 PHE H 1 14 PHE HB2 . . 3.990 3.882 3.859 3.907 . 0 0 "[ . 1 . 2]" 1
271 1 14 PHE H 1 14 PHE HB3 . . 3.860 3.511 3.467 3.539 . 0 0 "[ . 1 . 2]" 1
272 1 14 PHE H 1 14 PHE QD . . 3.650 3.295 3.200 3.347 . 0 0 "[ . 1 . 2]" 1
273 1 14 PHE H 1 14 PHE QE . . 4.930 4.333 4.218 4.404 . 0 0 "[ . 1 . 2]" 1
274 1 14 PHE H 1 15 CYS H . . 4.470 4.373 4.342 4.390 . 0 0 "[ . 1 . 2]" 1
275 1 14 PHE H 1 15 CYS HA . . 5.050 4.789 4.748 4.822 . 0 0 "[ . 1 . 2]" 1
276 1 14 PHE H 1 30 GLY H . . 4.780 4.335 4.225 4.452 . 0 0 "[ . 1 . 2]" 1
277 1 14 PHE H 1 106 LEU MD1 . . 3.050 3.107 3.087 3.157 0.107 7 0 "[ . 1 . 2]" 1
278 1 14 PHE H 1 106 LEU HG . . 4.600 4.283 4.157 4.397 . 0 0 "[ . 1 . 2]" 1
279 1 14 PHE H 1 107 THR H . . 3.170 2.979 2.880 3.176 0.006 7 0 "[ . 1 . 2]" 1
280 1 14 PHE H 1 107 THR HA . . 5.110 4.891 4.823 4.990 . 0 0 "[ . 1 . 2]" 1
281 1 14 PHE H 1 107 THR HB . . 3.290 3.257 2.723 3.346 0.056 6 0 "[ . 1 . 2]" 1
282 1 14 PHE H 1 107 THR MG . . 3.910 3.734 3.677 3.956 0.046 7 0 "[ . 1 . 2]" 1
283 1 14 PHE H 1 108 THR H . . 5.500 5.586 5.538 5.637 0.137 11 0 "[ . 1 . 2]" 1
284 1 14 PHE HA 1 14 PHE QD . . 3.760 3.779 3.770 3.784 0.024 6 0 "[ . 1 . 2]" 1
285 1 14 PHE HA 1 15 CYS H . . 3.140 2.215 2.167 2.253 . 0 0 "[ . 1 . 2]" 1
286 1 14 PHE HA 1 28 GLY H . . 5.500 4.930 4.827 5.148 . 0 0 "[ . 1 . 2]" 1
287 1 14 PHE HA 1 29 VAL QG . . 4.840 3.250 2.892 3.569 . 0 0 "[ . 1 . 2]" 1
288 1 14 PHE HA 1 30 GLY H . . 2.840 2.634 2.483 2.778 . 0 0 "[ . 1 . 2]" 1
289 1 14 PHE HA 1 31 SER H . . 4.270 4.143 3.928 4.277 0.007 12 0 "[ . 1 . 2]" 1
290 1 14 PHE HA 1 106 LEU MD1 . . 4.310 2.990 2.915 3.062 . 0 0 "[ . 1 . 2]" 1
291 1 14 PHE HB2 1 15 CYS H . . 3.480 2.870 2.640 3.002 . 0 0 "[ . 1 . 2]" 1
292 1 14 PHE HB2 1 16 VAL MG1 . . 3.790 3.435 3.322 3.574 . 0 0 "[ . 1 . 2]" 1
293 1 14 PHE HB2 1 26 PHE QD . . 5.500 3.989 3.802 4.223 . 0 0 "[ . 1 . 2]" 1
294 1 14 PHE HB2 1 26 PHE QE . . 4.380 2.640 2.393 2.846 . 0 0 "[ . 1 . 2]" 1
295 1 14 PHE HB2 1 28 GLY H . . 5.240 4.688 4.459 4.998 . 0 0 "[ . 1 . 2]" 1
296 1 14 PHE HB2 1 29 VAL QG . . 5.330 3.857 3.678 4.438 . 0 0 "[ . 1 . 2]" 1
297 1 14 PHE HB2 1 85 ILE MD . . 4.950 2.932 2.839 3.036 . 0 0 "[ . 1 . 2]" 1
298 1 14 PHE HB2 1 85 ILE MG . . 5.500 4.726 4.558 4.915 . 0 0 "[ . 1 . 2]" 1
299 1 14 PHE HB3 1 26 PHE QE . . 4.120 3.616 3.400 3.853 . 0 0 "[ . 1 . 2]" 1
300 1 14 PHE HB3 1 29 VAL QG . . 5.360 3.103 2.617 3.407 . 0 0 "[ . 1 . 2]" 1
301 1 14 PHE HB3 1 30 GLY H . . 4.800 4.260 4.044 4.418 . 0 0 "[ . 1 . 2]" 1
302 1 14 PHE QD 1 15 CYS H . . 4.270 4.091 3.834 4.214 . 0 0 "[ . 1 . 2]" 1
303 1 14 PHE QD 1 16 VAL H . . 4.840 4.725 4.639 4.786 . 0 0 "[ . 1 . 2]" 1
304 1 14 PHE QD 1 16 VAL MG1 . . 3.060 2.511 2.421 2.564 . 0 0 "[ . 1 . 2]" 1
305 1 14 PHE QD 1 16 VAL MG2 . . 3.140 3.051 2.960 3.148 0.008 1 0 "[ . 1 . 2]" 1
306 1 14 PHE QD 1 30 GLY H . . 5.500 5.403 5.256 5.507 0.007 12 0 "[ . 1 . 2]" 1
307 1 14 PHE QD 1 85 ILE MD . . 4.090 3.094 3.009 3.220 . 0 0 "[ . 1 . 2]" 1
308 1 14 PHE QD 1 85 ILE QG . . 4.710 3.194 2.998 3.355 . 0 0 "[ . 1 . 2]" 1
309 1 14 PHE QD 1 85 ILE MG . . 3.340 2.872 2.698 2.970 . 0 0 "[ . 1 . 2]" 1
310 1 14 PHE QD 1 95 ILE MD . . 4.370 3.546 3.504 3.581 . 0 0 "[ . 1 . 2]" 1
311 1 14 PHE QD 1 107 THR H . . 4.790 4.555 4.424 4.665 . 0 0 "[ . 1 . 2]" 1
312 1 14 PHE QD 1 107 THR MG . . 4.630 4.160 4.042 4.468 . 0 0 "[ . 1 . 2]" 1
313 1 14 PHE QD 1 111 PHE H . . 4.710 4.660 4.544 4.724 0.014 19 0 "[ . 1 . 2]" 1
314 1 14 PHE QD 1 111 PHE HB3 . . 4.960 4.595 4.439 4.736 . 0 0 "[ . 1 . 2]" 1
315 1 14 PHE QD 1 111 PHE QE . . 4.830 4.215 4.144 4.304 . 0 0 "[ . 1 . 2]" 1
316 1 14 PHE QE 1 16 VAL MG2 . . 3.550 3.515 3.368 3.563 0.013 9 0 "[ . 1 . 2]" 1
317 1 14 PHE QE 1 85 ILE HA . . 5.400 5.386 5.272 5.417 0.017 18 0 "[ . 1 . 2]" 1
318 1 14 PHE QE 1 85 ILE QG . . 4.660 4.343 4.159 4.493 . 0 0 "[ . 1 . 2]" 1
319 1 14 PHE QE 1 85 ILE MG . . 3.470 2.589 2.489 2.671 . 0 0 "[ . 1 . 2]" 1
320 1 14 PHE QE 1 92 VAL HB . . 4.800 4.825 4.803 4.844 0.044 6 0 "[ . 1 . 2]" 1
321 1 14 PHE QE 1 92 VAL MG1 . . 4.350 2.467 2.390 2.539 . 0 0 "[ . 1 . 2]" 1
322 1 14 PHE QE 1 92 VAL MG2 . . 3.870 2.806 2.712 2.913 . 0 0 "[ . 1 . 2]" 1
323 1 14 PHE QE 1 95 ILE MD . . 3.440 2.201 2.170 2.234 . 0 0 "[ . 1 . 2]" 1
324 1 14 PHE QE 1 107 THR H . . 5.310 5.276 5.202 5.321 0.011 18 0 "[ . 1 . 2]" 1
325 1 14 PHE QE 1 107 THR MG . . 3.700 3.330 3.230 3.574 . 0 0 "[ . 1 . 2]" 1
326 1 14 PHE QE 1 111 PHE HB2 . . 3.570 3.058 2.977 3.102 . 0 0 "[ . 1 . 2]" 1
327 1 14 PHE QE 1 111 PHE HB3 . . 3.990 3.493 3.424 3.576 . 0 0 "[ . 1 . 2]" 1
328 1 14 PHE QE 1 111 PHE QD . . 3.600 2.917 2.874 2.945 . 0 0 "[ . 1 . 2]" 1
329 1 14 PHE QE 1 111 PHE HZ . . 4.790 4.178 4.096 4.233 . 0 0 "[ . 1 . 2]" 1
330 1 14 PHE HZ 1 85 ILE MD . . 5.010 4.443 4.282 4.587 . 0 0 "[ . 1 . 2]" 1
331 1 14 PHE HZ 1 85 ILE MG . . 4.510 3.596 3.532 3.690 . 0 0 "[ . 1 . 2]" 1
332 1 14 PHE HZ 1 87 SER QB . . 3.820 3.784 3.650 3.845 0.025 16 0 "[ . 1 . 2]" 1
333 1 14 PHE HZ 1 91 PRO HB2 . . 4.130 3.789 3.769 3.800 . 0 0 "[ . 1 . 2]" 1
334 1 14 PHE HZ 1 91 PRO HB3 . . 5.500 5.551 5.537 5.568 0.068 14 0 "[ . 1 . 2]" 1
335 1 14 PHE HZ 1 91 PRO HG2 . . 4.250 4.011 3.844 4.138 . 0 0 "[ . 1 . 2]" 1
336 1 14 PHE HZ 1 92 VAL HA . . 4.620 3.314 3.182 3.407 . 0 0 "[ . 1 . 2]" 1
337 1 14 PHE HZ 1 92 VAL MG1 . . 3.780 3.646 3.489 3.757 . 0 0 "[ . 1 . 2]" 1
338 1 14 PHE HZ 1 92 VAL MG2 . . 3.280 2.172 2.134 2.209 . 0 0 "[ . 1 . 2]" 1
339 1 14 PHE HZ 1 95 ILE MD . . 3.450 3.373 3.188 3.460 0.010 19 0 "[ . 1 . 2]" 1
340 1 14 PHE HZ 1 107 THR MG . . 4.180 3.228 3.154 3.448 . 0 0 "[ . 1 . 2]" 1
341 1 14 PHE HZ 1 111 PHE HB2 . . 5.500 5.484 5.399 5.520 0.020 9 0 "[ . 1 . 2]" 1
342 1 14 PHE HZ 1 111 PHE QD . . 4.570 4.389 4.356 4.466 . 0 0 "[ . 1 . 2]" 1
343 1 14 PHE HZ 1 111 PHE HZ . . 4.560 3.937 3.831 4.044 . 0 0 "[ . 1 . 2]" 1
344 1 15 CYS H 1 15 CYS HB2 . . 3.290 2.891 2.823 2.962 . 0 0 "[ . 1 . 2]" 1
345 1 15 CYS H 1 15 CYS HB3 . . 3.520 2.705 2.625 2.954 . 0 0 "[ . 1 . 2]" 1
346 1 15 CYS H 1 16 VAL MG1 . . 4.310 4.091 3.972 4.190 . 0 0 "[ . 1 . 2]" 1
347 1 15 CYS H 1 27 VAL HB . . 4.720 4.326 4.242 4.392 . 0 0 "[ . 1 . 2]" 1
348 1 15 CYS H 1 28 GLY H . . 3.400 2.983 2.876 3.155 . 0 0 "[ . 1 . 2]" 1
349 1 15 CYS H 1 29 VAL QG . . 5.100 4.148 4.001 4.625 . 0 0 "[ . 1 . 2]" 1
350 1 15 CYS H 1 30 GLY H . . 4.110 4.199 4.165 4.241 0.131 1 0 "[ . 1 . 2]" 1
351 1 15 CYS H 1 106 LEU MD1 . . 4.240 3.017 2.926 3.103 . 0 0 "[ . 1 . 2]" 1
352 1 15 CYS H 1 107 THR H . . 5.500 5.087 5.041 5.138 . 0 0 "[ . 1 . 2]" 1
353 1 15 CYS HA 1 16 VAL H . . 2.450 2.130 2.100 2.167 . 0 0 "[ . 1 . 2]" 1
354 1 15 CYS HA 1 16 VAL MG1 . . 4.250 3.798 3.694 3.871 . 0 0 "[ . 1 . 2]" 1
355 1 15 CYS HA 1 16 VAL MG2 . . 4.660 3.368 3.252 3.441 . 0 0 "[ . 1 . 2]" 1
356 1 15 CYS HA 1 27 VAL HB . . 4.430 4.150 4.053 4.285 . 0 0 "[ . 1 . 2]" 1
357 1 15 CYS HA 1 27 VAL MG2 . . 5.090 4.764 4.585 4.869 . 0 0 "[ . 1 . 2]" 1
358 1 15 CYS HA 1 106 LEU H . . 4.650 4.528 4.477 4.621 . 0 0 "[ . 1 . 2]" 1
359 1 15 CYS HA 1 106 LEU MD1 . . 3.820 2.721 2.686 2.765 . 0 0 "[ . 1 . 2]" 1
360 1 15 CYS HA 1 106 LEU MD2 . . 5.500 5.205 5.133 5.327 . 0 0 "[ . 1 . 2]" 1
361 1 15 CYS HA 1 107 THR H . . 3.630 3.667 3.450 3.712 0.082 8 0 "[ . 1 . 2]" 1
362 1 15 CYS HB2 1 16 VAL H . . 4.440 4.004 3.944 4.083 . 0 0 "[ . 1 . 2]" 1
363 1 15 CYS HB2 1 28 GLY H . . 4.180 4.204 4.144 4.231 0.051 17 0 "[ . 1 . 2]" 1
364 1 15 CYS HB2 1 28 GLY QA . . 5.310 4.506 4.233 4.816 . 0 0 "[ . 1 . 2]" 1
365 1 15 CYS HB2 1 29 VAL HA . . 5.250 5.203 4.902 5.297 0.047 1 0 "[ . 1 . 2]" 1
366 1 15 CYS HB2 1 31 SER H . . 4.190 3.803 3.662 3.982 . 0 0 "[ . 1 . 2]" 1
367 1 15 CYS HB2 1 31 SER HA . . 4.990 4.375 4.253 4.701 . 0 0 "[ . 1 . 2]" 1
368 1 15 CYS HB2 1 32 CYS H . . 4.520 4.263 4.151 4.532 0.012 15 0 "[ . 1 . 2]" 1
369 1 15 CYS HB2 1 32 CYS HA . . 3.960 3.042 2.905 3.127 . 0 0 "[ . 1 . 2]" 1
370 1 15 CYS HB2 1 106 LEU H . . 5.210 4.610 4.464 4.756 . 0 0 "[ . 1 . 2]" 1
371 1 15 CYS HB2 1 106 LEU HB2 . . 3.670 3.023 2.938 3.146 . 0 0 "[ . 1 . 2]" 1
372 1 15 CYS HB2 1 106 LEU MD1 . . 3.530 2.015 1.989 2.059 . 0 0 "[ . 1 . 2]" 1
373 1 15 CYS HB3 1 16 VAL H . . 4.260 3.806 3.520 3.969 . 0 0 "[ . 1 . 2]" 1
374 1 15 CYS HB3 1 27 VAL H . . 4.480 4.127 4.041 4.214 . 0 0 "[ . 1 . 2]" 1
375 1 15 CYS HB3 1 27 VAL HB . . 3.550 2.386 2.161 2.490 . 0 0 "[ . 1 . 2]" 1
376 1 15 CYS HB3 1 27 VAL MG1 . . 4.110 2.896 2.727 3.202 . 0 0 "[ . 1 . 2]" 1
377 1 15 CYS HB3 1 28 GLY H . . 3.060 2.650 2.577 2.859 . 0 0 "[ . 1 . 2]" 1
378 1 15 CYS HB3 1 32 CYS HA . . 4.530 2.590 2.475 2.755 . 0 0 "[ . 1 . 2]" 1
379 1 15 CYS HB3 1 106 LEU MD1 . . 4.440 3.364 3.322 3.471 . 0 0 "[ . 1 . 2]" 1
380 1 16 VAL H 1 16 VAL MG1 . . 3.550 3.352 3.253 3.389 . 0 0 "[ . 1 . 2]" 1
381 1 16 VAL H 1 16 VAL MG2 . . 2.650 2.494 2.432 2.545 . 0 0 "[ . 1 . 2]" 1
382 1 16 VAL H 1 27 VAL HB . . 4.590 3.584 3.367 3.981 . 0 0 "[ . 1 . 2]" 1
383 1 16 VAL H 1 27 VAL MG2 . . 3.490 3.527 3.517 3.532 0.042 15 0 "[ . 1 . 2]" 1
384 1 16 VAL H 1 95 ILE MG . . 5.060 5.068 5.035 5.082 0.022 3 0 "[ . 1 . 2]" 1
385 1 16 VAL H 1 104 ASN HB2 . . 5.280 4.436 4.354 4.511 . 0 0 "[ . 1 . 2]" 1
386 1 16 VAL H 1 104 ASN HB3 . . 5.270 3.275 3.200 3.343 . 0 0 "[ . 1 . 2]" 1
387 1 16 VAL H 1 105 VAL HA . . 5.500 5.494 5.363 5.530 0.030 14 0 "[ . 1 . 2]" 1
388 1 16 VAL H 1 106 LEU H . . 5.060 5.168 5.140 5.204 0.144 1 0 "[ . 1 . 2]" 1
389 1 16 VAL H 1 106 LEU HA . . 4.010 3.969 3.913 4.027 0.017 7 0 "[ . 1 . 2]" 1
390 1 16 VAL H 1 106 LEU MD1 . . 4.460 4.557 4.536 4.577 0.117 10 0 "[ . 1 . 2]" 1
391 1 16 VAL HA 1 16 VAL MG1 . . 3.610 2.381 2.363 2.400 . 0 0 "[ . 1 . 2]" 1
392 1 16 VAL HA 1 16 VAL MG2 . . 3.540 3.245 3.241 3.249 . 0 0 "[ . 1 . 2]" 1
393 1 16 VAL HA 1 17 THR H . . 2.710 2.581 2.539 2.607 . 0 0 "[ . 1 . 2]" 1
394 1 16 VAL HA 1 25 HIS H . . 5.390 4.959 4.846 5.084 . 0 0 "[ . 1 . 2]" 1
395 1 16 VAL HA 1 26 PHE QD . . 4.750 3.894 3.699 4.057 . 0 0 "[ . 1 . 2]" 1
396 1 16 VAL HA 1 27 VAL H . . 2.860 2.453 2.314 2.567 . 0 0 "[ . 1 . 2]" 1
397 1 16 VAL HA 1 27 VAL HB . . 4.550 3.261 3.058 3.656 . 0 0 "[ . 1 . 2]" 1
398 1 16 VAL HA 1 28 GLY H . . 4.300 4.229 4.165 4.306 0.006 11 0 "[ . 1 . 2]" 1
399 1 16 VAL HB 1 17 THR H . . 2.830 2.135 2.090 2.170 . 0 0 "[ . 1 . 2]" 1
400 1 16 VAL HB 1 17 THR HB . . 4.870 4.913 4.821 4.972 0.102 5 0 "[ . 1 . 2]" 1
401 1 16 VAL HB 1 25 HIS H . . 3.760 3.609 3.582 3.632 . 0 0 "[ . 1 . 2]" 1
402 1 16 VAL HB 1 26 PHE QD . . 5.350 4.797 4.661 4.894 . 0 0 "[ . 1 . 2]" 1
403 1 16 VAL HB 1 27 VAL H . . 4.530 4.633 4.572 4.685 0.155 4 0 "[ . 1 . 2]" 1
404 1 16 VAL HB 1 54 PHE HZ . . 4.360 3.849 3.706 3.981 . 0 0 "[ . 1 . 2]" 1
405 1 16 VAL HB 1 104 ASN HD22 . . 5.290 5.121 5.028 5.219 . 0 0 "[ . 1 . 2]" 1
406 1 16 VAL MG1 1 17 THR H . . 3.540 3.532 3.506 3.555 0.015 17 0 "[ . 1 . 2]" 1
407 1 16 VAL MG1 1 25 HIS H . . 4.260 4.305 4.271 4.334 0.074 6 0 "[ . 1 . 2]" 1
408 1 16 VAL MG1 1 26 PHE QD . . 4.220 2.353 2.288 2.415 . 0 0 "[ . 1 . 2]" 1
409 1 16 VAL MG1 1 26 PHE QE . . 3.770 3.769 3.687 3.791 0.021 8 0 "[ . 1 . 2]" 1
410 1 16 VAL MG1 1 27 VAL H . . 4.060 3.078 3.025 3.213 . 0 0 "[ . 1 . 2]" 1
411 1 16 VAL MG1 1 54 PHE QE . . 4.640 2.885 2.815 2.958 . 0 0 "[ . 1 . 2]" 1
412 1 16 VAL MG2 1 17 THR H . . 3.430 3.359 3.288 3.414 . 0 0 "[ . 1 . 2]" 1
413 1 16 VAL MG2 1 18 CYS H . . 4.860 4.358 4.299 4.424 . 0 0 "[ . 1 . 2]" 1
414 1 16 VAL MG2 1 25 HIS H . . 4.770 4.832 4.816 4.844 0.074 8 0 "[ . 1 . 2]" 1
415 1 16 VAL MG2 1 104 ASN HD21 . . 4.080 1.831 1.772 1.906 . 0 0 "[ . 1 . 2]" 1
416 1 16 VAL MG2 1 104 ASN HD22 . . 3.410 2.883 2.820 2.921 . 0 0 "[ . 1 . 2]" 1
417 1 17 THR H 1 17 THR HB . . 2.940 2.845 2.775 2.907 . 0 0 "[ . 1 . 2]" 1
418 1 17 THR H 1 18 CYS H . . 4.700 4.397 4.342 4.422 . 0 0 "[ . 1 . 2]" 1
419 1 17 THR H 1 23 PRO HB2 . . 4.730 3.932 3.818 4.050 . 0 0 "[ . 1 . 2]" 1
420 1 17 THR H 1 25 HIS H . . 3.480 3.081 2.953 3.254 . 0 0 "[ . 1 . 2]" 1
421 1 17 THR H 1 25 HIS HB2 . . 4.080 4.161 4.085 4.236 0.156 3 0 "[ . 1 . 2]" 1
422 1 17 THR H 1 25 HIS HB3 . . 3.950 2.770 2.525 2.977 . 0 0 "[ . 1 . 2]" 1
423 1 17 THR H 1 26 PHE HA . . 3.960 4.012 3.995 4.035 0.075 9 0 "[ . 1 . 2]" 1
424 1 17 THR H 1 54 PHE QE . . 5.460 4.941 4.796 5.197 . 0 0 "[ . 1 . 2]" 1
425 1 17 THR H 1 104 ASN HD21 . . 4.470 4.295 4.222 4.350 . 0 0 "[ . 1 . 2]" 1
426 1 17 THR HA 1 17 THR MG . . 3.440 2.337 2.289 2.403 . 0 0 "[ . 1 . 2]" 1
427 1 17 THR HA 1 18 CYS H . . 2.490 2.218 2.175 2.241 . 0 0 "[ . 1 . 2]" 1
428 1 17 THR HA 1 104 ASN H . . 4.280 3.039 2.918 3.165 . 0 0 "[ . 1 . 2]" 1
429 1 17 THR HA 1 104 ASN HA . . 4.620 4.488 4.445 4.543 . 0 0 "[ . 1 . 2]" 1
430 1 17 THR HA 1 104 ASN HB2 . . 4.700 2.290 2.261 2.317 . 0 0 "[ . 1 . 2]" 1
431 1 17 THR HA 1 104 ASN HD22 . . 5.500 5.560 5.528 5.593 0.093 11 0 "[ . 1 . 2]" 1
432 1 17 THR HB 1 18 CYS H . . 4.430 4.174 4.084 4.249 . 0 0 "[ . 1 . 2]" 1
433 1 17 THR HB 1 24 VAL H . . 4.370 4.326 4.196 4.412 0.042 17 0 "[ . 1 . 2]" 1
434 1 17 THR HB 1 24 VAL MG2 . . 4.100 4.008 3.749 4.106 0.006 6 0 "[ . 1 . 2]" 1
435 1 17 THR HB 1 25 HIS H . . 4.420 3.857 3.618 4.203 . 0 0 "[ . 1 . 2]" 1
436 1 17 THR HB 1 25 HIS HB2 . . 3.860 2.733 2.518 3.020 . 0 0 "[ . 1 . 2]" 1
437 1 17 THR MG 1 18 CYS H . . 3.030 2.952 2.897 3.027 . 0 0 "[ . 1 . 2]" 1
438 1 17 THR MG 1 24 VAL H . . 5.290 4.906 4.590 5.093 . 0 0 "[ . 1 . 2]" 1
439 1 17 THR MG 1 25 HIS HB2 . . 4.300 3.968 3.688 4.260 . 0 0 "[ . 1 . 2]" 1
440 1 17 THR MG 1 102 SER QB . . 3.840 3.422 2.782 3.648 . 0 0 "[ . 1 . 2]" 1
441 1 17 THR MG 1 103 LYS H . . 3.270 2.965 2.892 3.044 . 0 0 "[ . 1 . 2]" 1
442 1 17 THR MG 1 104 ASN H . . 4.370 3.440 3.307 3.579 . 0 0 "[ . 1 . 2]" 1
443 1 17 THR MG 1 104 ASN HA . . 5.370 5.199 5.109 5.282 . 0 0 "[ . 1 . 2]" 1
444 1 18 CYS H 1 18 CYS HB2 . . 3.490 2.431 2.313 2.598 . 0 0 "[ . 1 . 2]" 1
445 1 18 CYS H 1 18 CYS QB . . 2.940 2.294 2.283 2.321 . 0 0 "[ . 1 . 2]" 1
446 1 18 CYS H 1 18 CYS HB3 . . 3.490 3.093 2.574 3.501 0.011 14 0 "[ . 1 . 2]" 1
447 1 18 CYS H 1 19 GLU H . . 4.540 4.488 4.476 4.501 . 0 0 "[ . 1 . 2]" 1
448 1 18 CYS H 1 24 VAL H . . 5.320 5.241 5.133 5.315 . 0 0 "[ . 1 . 2]" 1
449 1 18 CYS H 1 99 ILE HB . . 5.500 5.412 5.281 5.511 0.011 6 0 "[ . 1 . 2]" 1
450 1 18 CYS H 1 99 ILE MG . . 4.050 3.920 3.849 3.975 . 0 0 "[ . 1 . 2]" 1
451 1 18 CYS H 1 103 LYS H . . 3.220 3.179 3.035 3.231 0.011 14 0 "[ . 1 . 2]" 1
452 1 18 CYS H 1 103 LYS HA . . 5.070 3.677 3.554 3.769 . 0 0 "[ . 1 . 2]" 1
453 1 18 CYS H 1 103 LYS HB2 . . 5.500 5.552 5.511 5.590 0.090 17 0 "[ . 1 . 2]" 1
454 1 18 CYS H 1 103 LYS QB . . 4.790 4.672 4.566 4.714 . 0 0 "[ . 1 . 2]" 1
455 1 18 CYS H 1 103 LYS HB3 . . 5.500 5.026 4.866 5.101 . 0 0 "[ . 1 . 2]" 1
456 1 18 CYS H 1 103 LYS QG . . 4.960 4.881 4.731 5.048 0.088 14 0 "[ . 1 . 2]" 1
457 1 18 CYS H 1 104 ASN H . . 4.050 3.555 3.452 3.661 . 0 0 "[ . 1 . 2]" 1
458 1 18 CYS H 1 104 ASN HA . . 3.600 3.556 3.512 3.605 0.005 9 0 "[ . 1 . 2]" 1
459 1 18 CYS H 1 104 ASN HB2 . . 3.280 2.055 1.998 2.085 . 0 0 "[ . 1 . 2]" 1
460 1 18 CYS HA 1 19 GLU H . . 2.420 2.107 2.085 2.137 . 0 0 "[ . 1 . 2]" 1
461 1 18 CYS HA 1 22 ALA H . . 3.920 3.585 3.541 3.626 . 0 0 "[ . 1 . 2]" 1
462 1 18 CYS HA 1 23 PRO HB3 . . 4.820 3.416 3.336 3.482 . 0 0 "[ . 1 . 2]" 1
463 1 18 CYS HA 1 24 VAL H . . 3.540 3.160 3.044 3.300 . 0 0 "[ . 1 . 2]" 1
464 1 18 CYS HA 1 24 VAL MG1 . . 4.630 4.265 4.165 4.379 . 0 0 "[ . 1 . 2]" 1
465 1 18 CYS HA 1 103 LYS H . . 4.930 4.879 4.739 4.937 0.007 15 0 "[ . 1 . 2]" 1
466 1 18 CYS QB 1 19 GLU H . . 3.620 3.394 3.128 3.691 0.071 13 0 "[ . 1 . 2]" 1
467 1 18 CYS QB 1 22 ALA H . . 4.040 3.601 3.103 4.122 0.082 7 0 "[ . 1 . 2]" 1
468 1 18 CYS QB 1 99 ILE HB . . 4.020 2.746 2.608 2.897 . 0 0 "[ . 1 . 2]" 1
469 1 18 CYS QB 1 99 ILE MD . . 3.610 2.901 2.857 2.995 . 0 0 "[ . 1 . 2]" 1
470 1 18 CYS QB 1 103 LYS H . . 3.870 3.504 3.243 3.713 . 0 0 "[ . 1 . 2]" 1
471 1 18 CYS QB 1 104 ASN HA . . 4.650 3.299 3.241 3.368 . 0 0 "[ . 1 . 2]" 1
472 1 18 CYS QB 1 104 ASN HD22 . . 3.640 3.363 2.909 3.695 0.055 17 0 "[ . 1 . 2]" 1
473 1 18 CYS HB2 1 99 ILE MD . . 4.300 3.303 2.995 3.728 . 0 0 "[ . 1 . 2]" 1
474 1 18 CYS HB2 1 99 ILE MG . . 3.770 3.384 2.996 3.810 0.040 13 0 "[ . 1 . 2]" 1
475 1 18 CYS HB2 1 103 LYS H . . 4.610 4.296 3.947 4.711 0.101 19 0 "[ . 1 . 2]" 1
476 1 18 CYS HB3 1 99 ILE MD . . 4.300 3.390 3.017 3.684 . 0 0 "[ . 1 . 2]" 1
477 1 18 CYS HB3 1 99 ILE MG . . 3.770 2.753 2.364 3.091 . 0 0 "[ . 1 . 2]" 1
478 1 18 CYS HB3 1 103 LYS H . . 4.610 3.916 3.309 4.428 . 0 0 "[ . 1 . 2]" 1
479 1 19 GLU H 1 19 GLU HB2 . . 3.110 3.149 3.122 3.166 0.056 15 0 "[ . 1 . 2]" 1
480 1 19 GLU H 1 19 GLU HB3 . . 3.040 2.933 2.865 3.033 . 0 0 "[ . 1 . 2]" 1
481 1 19 GLU H 1 19 GLU QG . . 4.720 4.179 4.144 4.327 . 0 0 "[ . 1 . 2]" 1
482 1 19 GLU H 1 20 ASN H . . 4.300 4.005 3.961 4.070 . 0 0 "[ . 1 . 2]" 1
483 1 19 GLU H 1 22 ALA H . . 2.810 2.849 2.833 2.865 0.055 13 0 "[ . 1 . 2]" 1
484 1 19 GLU H 1 22 ALA MB . . 4.300 4.059 3.993 4.080 . 0 0 "[ . 1 . 2]" 1
485 1 19 GLU H 1 23 PRO HA . . 3.530 3.356 3.254 3.437 . 0 0 "[ . 1 . 2]" 1
486 1 19 GLU H 1 24 VAL H . . 4.380 3.315 3.258 3.370 . 0 0 "[ . 1 . 2]" 1
487 1 19 GLU H 1 24 VAL MG1 . . 3.730 3.199 3.135 3.253 . 0 0 "[ . 1 . 2]" 1
488 1 19 GLU H 1 24 VAL MG2 . . 3.620 3.354 3.227 3.428 . 0 0 "[ . 1 . 2]" 1
489 1 19 GLU H 1 99 ILE MG . . 4.720 4.746 4.731 4.756 0.036 17 0 "[ . 1 . 2]" 1
490 1 19 GLU HA 1 19 GLU HG2 . . 4.080 2.771 2.240 2.920 . 0 0 "[ . 1 . 2]" 1
491 1 19 GLU HA 1 19 GLU QG . . 3.390 2.302 2.212 2.343 . 0 0 "[ . 1 . 2]" 1
492 1 19 GLU HA 1 19 GLU HG3 . . 4.080 2.550 2.371 3.410 . 0 0 "[ . 1 . 2]" 1
493 1 19 GLU HA 1 20 ASN H . . 2.600 2.114 2.081 2.136 . 0 0 "[ . 1 . 2]" 1
494 1 19 GLU HA 1 21 GLN H . . 4.160 4.040 3.925 4.130 . 0 0 "[ . 1 . 2]" 1
495 1 19 GLU HA 1 22 ALA H . . 4.670 4.658 4.600 4.687 0.017 7 0 "[ . 1 . 2]" 1
496 1 19 GLU HA 1 102 SER H . . 4.480 2.866 2.750 3.091 . 0 0 "[ . 1 . 2]" 1
497 1 19 GLU HA 1 103 LYS H . . 4.670 4.096 4.031 4.239 . 0 0 "[ . 1 . 2]" 1
498 1 19 GLU HB2 1 20 ASN H . . 4.660 4.467 4.421 4.494 . 0 0 "[ . 1 . 2]" 1
499 1 19 GLU HB2 1 24 VAL H . . 4.990 4.462 4.233 4.669 . 0 0 "[ . 1 . 2]" 1
500 1 19 GLU HB2 1 102 SER H . . 5.030 4.139 4.011 4.347 . 0 0 "[ . 1 . 2]" 1
501 1 19 GLU HB2 1 102 SER QB . . 4.870 3.460 3.126 3.687 . 0 0 "[ . 1 . 2]" 1
502 1 19 GLU HB3 1 20 ASN H . . 4.400 4.293 4.201 4.337 . 0 0 "[ . 1 . 2]" 1
503 1 19 GLU HB3 1 20 ASN HD21 . . 4.530 3.980 3.866 4.166 . 0 0 "[ . 1 . 2]" 1
504 1 19 GLU HB3 1 24 VAL MG2 . . 3.130 2.293 2.125 2.532 . 0 0 "[ . 1 . 2]" 1
505 1 19 GLU QG 1 20 ASN H . . 3.610 3.097 2.863 3.245 . 0 0 "[ . 1 . 2]" 1
506 1 19 GLU QG 1 20 ASN QB . . 4.830 3.703 3.517 4.568 . 0 0 "[ . 1 . 2]" 1
507 1 19 GLU QG 1 20 ASN HD21 . . 3.680 1.978 1.750 3.045 . 0 0 "[ . 1 . 2]" 1
508 1 19 GLU QG 1 20 ASN HD22 . . 3.950 3.257 3.106 3.987 0.037 11 0 "[ . 1 . 2]" 1
509 1 19 GLU QG 1 102 SER H . . 3.440 3.013 2.812 3.234 . 0 0 "[ . 1 . 2]" 1
510 1 19 GLU QG 1 102 SER QB . . 4.020 2.502 2.297 2.609 . 0 0 "[ . 1 . 2]" 1
511 1 20 ASN H 1 20 ASN HA . . 2.650 2.265 2.251 2.276 . 0 0 "[ . 1 . 2]" 1
512 1 20 ASN H 1 20 ASN HB2 . . 4.160 3.586 3.528 3.611 . 0 0 "[ . 1 . 2]" 1
513 1 20 ASN H 1 20 ASN QB . . 3.360 3.378 3.334 3.395 0.035 12 0 "[ . 1 . 2]" 1
514 1 20 ASN H 1 20 ASN HB3 . . 4.160 4.126 4.104 4.133 . 0 0 "[ . 1 . 2]" 1
515 1 20 ASN H 1 20 ASN HD21 . . 4.390 2.850 2.791 3.027 . 0 0 "[ . 1 . 2]" 1
516 1 20 ASN H 1 21 GLN H . . 3.160 2.694 2.644 2.757 . 0 0 "[ . 1 . 2]" 1
517 1 20 ASN H 1 21 GLN HA . . 5.210 4.920 4.869 4.987 . 0 0 "[ . 1 . 2]" 1
518 1 20 ASN H 1 21 GLN HE21 . . 5.120 4.262 4.218 4.370 . 0 0 "[ . 1 . 2]" 1
519 1 20 ASN H 1 22 ALA H . . 4.570 4.365 4.331 4.410 . 0 0 "[ . 1 . 2]" 1
520 1 20 ASN H 1 99 ILE MG . . 4.240 3.856 3.808 3.924 . 0 0 "[ . 1 . 2]" 1
521 1 20 ASN H 1 100 ILE H . . 4.890 4.542 4.498 4.605 . 0 0 "[ . 1 . 2]" 1
522 1 20 ASN H 1 100 ILE HA . . 2.870 1.980 1.933 2.036 . 0 0 "[ . 1 . 2]" 1
523 1 20 ASN H 1 100 ILE HG12 . . 4.830 3.895 3.776 4.021 . 0 0 "[ . 1 . 2]" 1
524 1 20 ASN H 1 100 ILE MG . . 3.650 3.397 3.323 3.532 . 0 0 "[ . 1 . 2]" 1
525 1 20 ASN H 1 101 ALA H . . 4.640 4.693 4.684 4.728 0.088 14 0 "[ . 1 . 2]" 1
526 1 20 ASN H 1 102 SER H . . 4.960 3.964 3.831 4.134 . 0 0 "[ . 1 . 2]" 1
527 1 20 ASN H 1 102 SER HA . . 4.840 4.891 4.859 4.919 0.079 6 0 "[ . 1 . 2]" 1
528 1 20 ASN HA 1 20 ASN HD21 . . 4.810 3.470 3.436 3.584 . 0 0 "[ . 1 . 2]" 1
529 1 20 ASN HA 1 20 ASN HD22 . . 4.580 4.067 4.039 4.080 . 0 0 "[ . 1 . 2]" 1
530 1 20 ASN HA 1 21 GLN H . . 2.920 2.513 2.443 2.553 . 0 0 "[ . 1 . 2]" 1
531 1 20 ASN HA 1 21 GLN HE21 . . 3.270 2.602 2.504 2.673 . 0 0 "[ . 1 . 2]" 1
532 1 20 ASN HA 1 100 ILE MD . . 4.250 4.138 3.987 4.283 0.033 11 0 "[ . 1 . 2]" 1
533 1 20 ASN HA 1 100 ILE MG . . 4.400 3.138 3.011 3.339 . 0 0 "[ . 1 . 2]" 1
534 1 20 ASN QB 1 20 ASN HD21 . . 2.830 2.526 2.407 2.563 . 0 0 "[ . 1 . 2]" 1
535 1 20 ASN QB 1 20 ASN HD22 . . 3.500 3.409 3.396 3.415 . 0 0 "[ . 1 . 2]" 1
536 1 20 ASN QB 1 21 GLN H . . 4.060 3.955 3.946 3.963 . 0 0 "[ . 1 . 2]" 1
537 1 20 ASN QB 1 21 GLN HE21 . . 5.340 4.235 4.136 4.293 . 0 0 "[ . 1 . 2]" 1
538 1 20 ASN QB 1 22 ALA H . . 5.340 4.606 4.559 4.708 . 0 0 "[ . 1 . 2]" 1
539 1 20 ASN QB 1 100 ILE HG12 . . 5.240 4.495 4.378 4.550 . 0 0 "[ . 1 . 2]" 1
540 1 20 ASN QB 1 100 ILE MG . . 4.480 3.845 3.758 3.961 . 0 0 "[ . 1 . 2]" 1
541 1 20 ASN HB2 1 21 GLN H . . 4.630 4.496 4.478 4.528 . 0 0 "[ . 1 . 2]" 1
542 1 20 ASN HB3 1 21 GLN H . . 4.630 4.387 4.353 4.405 . 0 0 "[ . 1 . 2]" 1
543 1 20 ASN HD21 1 100 ILE MG . . 4.510 3.116 3.047 3.298 . 0 0 "[ . 1 . 2]" 1
544 1 20 ASN HD21 1 102 SER H . . 5.180 5.244 5.228 5.319 0.139 10 0 "[ . 1 . 2]" 1
545 1 20 ASN HD22 1 100 ILE HB . . 5.220 5.236 5.212 5.245 0.025 2 0 "[ . 1 . 2]" 1
546 1 20 ASN HD22 1 100 ILE MG . . 4.670 2.352 2.289 2.372 . 0 0 "[ . 1 . 2]" 1
547 1 21 GLN H 1 21 GLN HA . . 2.590 2.259 2.256 2.266 . 0 0 "[ . 1 . 2]" 1
548 1 21 GLN H 1 21 GLN HB2 . . 3.950 3.707 3.696 3.720 . 0 0 "[ . 1 . 2]" 1
549 1 21 GLN H 1 21 GLN HB3 . . 4.100 4.024 4.017 4.032 . 0 0 "[ . 1 . 2]" 1
550 1 21 GLN H 1 21 GLN HE21 . . 5.080 3.262 3.187 3.318 . 0 0 "[ . 1 . 2]" 1
551 1 21 GLN H 1 21 GLN HG2 . . 4.940 4.341 4.316 4.352 . 0 0 "[ . 1 . 2]" 1
552 1 21 GLN H 1 21 GLN HG3 . . 3.980 2.799 2.779 2.812 . 0 0 "[ . 1 . 2]" 1
553 1 21 GLN H 1 22 ALA H . . 2.830 2.849 2.840 2.859 0.029 18 0 "[ . 1 . 2]" 1
554 1 21 GLN H 1 22 ALA MB . . 4.570 4.649 4.636 4.661 0.091 11 0 "[ . 1 . 2]" 1
555 1 21 GLN H 1 99 ILE H . . 4.150 3.852 3.782 3.909 . 0 0 "[ . 1 . 2]" 1
556 1 21 GLN H 1 99 ILE HB . . 3.990 3.648 3.600 3.693 . 0 0 "[ . 1 . 2]" 1
557 1 21 GLN H 1 99 ILE MG . . 4.230 4.049 3.994 4.118 . 0 0 "[ . 1 . 2]" 1
558 1 21 GLN H 1 100 ILE HA . . 3.980 3.770 3.697 3.823 . 0 0 "[ . 1 . 2]" 1
559 1 21 GLN H 1 100 ILE HG12 . . 4.870 4.271 4.116 4.379 . 0 0 "[ . 1 . 2]" 1
560 1 21 GLN H 1 100 ILE HG13 . . 5.500 5.254 5.119 5.327 . 0 0 "[ . 1 . 2]" 1
561 1 21 GLN H 1 100 ILE MG . . 5.070 4.968 4.864 5.103 0.033 11 0 "[ . 1 . 2]" 1
562 1 21 GLN HA 1 21 GLN HE21 . . 4.950 4.290 4.238 4.329 . 0 0 "[ . 1 . 2]" 1
563 1 21 GLN HA 1 22 ALA H . . 3.200 2.941 2.901 2.982 . 0 0 "[ . 1 . 2]" 1
564 1 21 GLN HA 1 98 GLY H . . 4.500 3.488 3.406 3.632 . 0 0 "[ . 1 . 2]" 1
565 1 21 GLN HB2 1 21 GLN HE21 . . 4.140 4.158 4.153 4.165 0.025 13 0 "[ . 1 . 2]" 1
566 1 21 GLN HB2 1 21 GLN HE22 . . 4.250 4.305 4.298 4.311 0.061 13 0 "[ . 1 . 2]" 1
567 1 21 GLN HB2 1 98 GLY H . . 4.420 4.317 4.285 4.380 . 0 0 "[ . 1 . 2]" 1
568 1 21 GLN HB3 1 22 ALA H . . 4.500 4.539 4.533 4.550 0.050 9 0 "[ . 1 . 2]" 1
569 1 21 GLN HB3 1 97 LYS HA . . 4.080 3.602 3.464 3.764 . 0 0 "[ . 1 . 2]" 1
570 1 21 GLN HE21 1 21 GLN HG2 . . 3.190 3.265 3.255 3.284 0.094 11 0 "[ . 1 . 2]" 1
571 1 21 GLN HE21 1 98 GLY H . . 4.820 4.367 4.334 4.421 . 0 0 "[ . 1 . 2]" 1
572 1 21 GLN HE21 1 100 ILE HA . . 4.920 3.900 3.618 4.105 . 0 0 "[ . 1 . 2]" 1
573 1 21 GLN HE21 1 100 ILE MD . . 3.760 3.267 3.052 3.409 . 0 0 "[ . 1 . 2]" 1
574 1 21 GLN HE21 1 100 ILE HG12 . . 2.660 2.110 2.033 2.160 . 0 0 "[ . 1 . 2]" 1
575 1 21 GLN HE21 1 100 ILE HG13 . . 3.800 3.116 2.914 3.182 . 0 0 "[ . 1 . 2]" 1
576 1 21 GLN HE21 1 100 ILE MG . . 3.980 4.018 4.002 4.054 0.074 11 0 "[ . 1 . 2]" 1
577 1 21 GLN HE22 1 21 GLN HG2 . . 4.000 3.887 3.878 3.892 . 0 0 "[ . 1 . 2]" 1
578 1 21 GLN HE22 1 98 GLY H . . 5.500 5.561 5.546 5.588 0.088 11 0 "[ . 1 . 2]" 1
579 1 21 GLN HE22 1 100 ILE HA . . 5.450 4.800 4.526 4.993 . 0 0 "[ . 1 . 2]" 1
580 1 21 GLN HE22 1 100 ILE MD . . 4.010 3.103 2.935 3.190 . 0 0 "[ . 1 . 2]" 1
581 1 21 GLN HE22 1 100 ILE HG12 . . 4.840 2.719 2.592 2.803 . 0 0 "[ . 1 . 2]" 1
582 1 21 GLN HE22 1 100 ILE HG13 . . 4.730 4.077 3.862 4.161 . 0 0 "[ . 1 . 2]" 1
583 1 21 GLN HG2 1 97 LYS HA . . 4.560 3.895 3.814 3.953 . 0 0 "[ . 1 . 2]" 1
584 1 21 GLN HG2 1 98 GLY H . . 3.430 2.186 2.139 2.221 . 0 0 "[ . 1 . 2]" 1
585 1 21 GLN HG2 1 99 ILE H . . 4.020 3.960 3.872 4.020 0.000 19 0 "[ . 1 . 2]" 1
586 1 21 GLN HG3 1 22 ALA H . . 4.920 4.952 4.935 4.961 0.041 9 0 "[ . 1 . 2]" 1
587 1 21 GLN HG3 1 97 LYS H . . 5.500 5.341 5.268 5.420 . 0 0 "[ . 1 . 2]" 1
588 1 21 GLN HG3 1 98 GLY H . . 4.380 2.435 2.390 2.496 . 0 0 "[ . 1 . 2]" 1
589 1 21 GLN HG3 1 98 GLY QA . . 3.950 2.655 2.576 2.691 . 0 0 "[ . 1 . 2]" 1
590 1 21 GLN HG3 1 99 ILE H . . 4.730 2.770 2.706 2.813 . 0 0 "[ . 1 . 2]" 1
591 1 22 ALA H 1 22 ALA MB . . 2.980 2.752 2.709 2.797 . 0 0 "[ . 1 . 2]" 1
592 1 22 ALA H 1 23 PRO HA . . 4.560 4.507 4.475 4.536 . 0 0 "[ . 1 . 2]" 1
593 1 22 ALA H 1 23 PRO HB3 . . 5.500 5.638 5.622 5.651 0.151 5 0 "[ . 1 . 2]" 1
594 1 22 ALA H 1 23 PRO HD2 . . 4.610 4.708 4.686 4.728 0.118 12 0 "[ . 1 . 2]" 1
595 1 22 ALA H 1 23 PRO HD3 . . 4.850 4.265 4.234 4.291 . 0 0 "[ . 1 . 2]" 1
596 1 22 ALA H 1 24 VAL MG1 . . 4.800 4.323 4.258 4.375 . 0 0 "[ . 1 . 2]" 1
597 1 22 ALA H 1 24 VAL MG2 . . 5.500 5.467 5.350 5.561 0.061 9 0 "[ . 1 . 2]" 1
598 1 22 ALA HA 1 23 PRO HD2 . . 3.680 2.204 2.192 2.210 . 0 0 "[ . 1 . 2]" 1
599 1 22 ALA HA 1 23 PRO HD3 . . 3.490 2.340 2.311 2.374 . 0 0 "[ . 1 . 2]" 1
600 1 22 ALA HA 1 23 PRO HG2 . . 4.320 4.408 4.396 4.413 0.093 20 0 "[ . 1 . 2]" 1
601 1 22 ALA HA 1 93 LYS HA . . 3.890 3.416 3.349 3.453 . 0 0 "[ . 1 . 2]" 1
602 1 22 ALA HA 1 93 LYS HG3 . . 4.740 3.142 3.067 3.229 . 0 0 "[ . 1 . 2]" 1
603 1 22 ALA HA 1 96 CYS H . . 5.500 5.531 5.519 5.550 0.050 9 0 "[ . 1 . 2]" 1
604 1 22 ALA MB 1 23 PRO HD2 . . 3.780 2.871 2.846 2.899 . 0 0 "[ . 1 . 2]" 1
605 1 22 ALA MB 1 51 TRP H . . 4.000 3.930 3.776 4.011 0.011 9 0 "[ . 1 . 2]" 1
606 1 22 ALA MB 1 51 TRP HA . . 5.440 4.366 4.312 4.412 . 0 0 "[ . 1 . 2]" 1
607 1 22 ALA MB 1 51 TRP HB2 . . 3.720 2.421 2.363 2.460 . 0 0 "[ . 1 . 2]" 1
608 1 22 ALA MB 1 51 TRP HB3 . . 4.060 2.436 2.322 2.502 . 0 0 "[ . 1 . 2]" 1
609 1 22 ALA MB 1 51 TRP HD1 . . 3.920 3.057 2.918 3.158 . 0 0 "[ . 1 . 2]" 1
610 1 22 ALA MB 1 93 LYS QE . . 3.710 3.751 3.740 3.765 0.055 14 0 "[ . 1 . 2]" 1
611 1 23 PRO HA 1 24 VAL H . . 3.050 2.144 2.103 2.215 . 0 0 "[ . 1 . 2]" 1
612 1 23 PRO HA 1 25 HIS H . . 3.700 3.497 3.417 3.571 . 0 0 "[ . 1 . 2]" 1
613 1 23 PRO HB2 1 24 VAL H . . 4.230 3.977 3.896 4.067 . 0 0 "[ . 1 . 2]" 1
614 1 23 PRO HB2 1 25 HIS H . . 4.420 3.463 3.316 3.612 . 0 0 "[ . 1 . 2]" 1
615 1 23 PRO HB2 1 54 PHE QD . . 4.930 4.623 4.400 4.865 . 0 0 "[ . 1 . 2]" 1
616 1 23 PRO HB2 1 104 ASN HD22 . . 5.300 4.697 4.542 4.770 . 0 0 "[ . 1 . 2]" 1
617 1 23 PRO HB3 1 24 VAL H . . 4.550 4.251 4.180 4.344 . 0 0 "[ . 1 . 2]" 1
618 1 23 PRO HB3 1 25 HIS H . . 4.690 4.576 4.514 4.671 . 0 0 "[ . 1 . 2]" 1
619 1 23 PRO HB3 1 104 ASN HD22 . . 3.190 3.093 2.921 3.176 . 0 0 "[ . 1 . 2]" 1
620 1 23 PRO HD2 1 24 VAL H . . 5.460 5.336 5.268 5.402 . 0 0 "[ . 1 . 2]" 1
621 1 23 PRO HD2 1 93 LYS HG3 . . 4.440 2.467 2.173 2.556 . 0 0 "[ . 1 . 2]" 1
622 1 23 PRO HD3 1 92 VAL MG1 . . 5.500 4.278 4.171 4.346 . 0 0 "[ . 1 . 2]" 1
623 1 23 PRO HD3 1 93 LYS H . . 5.500 5.042 5.014 5.071 . 0 0 "[ . 1 . 2]" 1
624 1 23 PRO HD3 1 93 LYS HG3 . . 4.680 3.737 3.426 3.860 . 0 0 "[ . 1 . 2]" 1
625 1 23 PRO HD3 1 94 ALA H . . 5.500 5.524 5.509 5.539 0.039 18 0 "[ . 1 . 2]" 1
626 1 23 PRO HD3 1 95 ILE H . . 5.100 5.022 4.971 5.071 . 0 0 "[ . 1 . 2]" 1
627 1 23 PRO HD3 1 96 CYS H . . 4.360 4.403 4.370 4.426 0.066 18 0 "[ . 1 . 2]" 1
628 1 23 PRO HD3 1 104 ASN HD21 . . 4.780 4.442 4.244 4.585 . 0 0 "[ . 1 . 2]" 1
629 1 23 PRO HD3 1 104 ASN HD22 . . 4.790 3.956 3.832 4.048 . 0 0 "[ . 1 . 2]" 1
630 1 23 PRO HG2 1 25 HIS H . . 5.500 5.199 4.979 5.353 . 0 0 "[ . 1 . 2]" 1
631 1 23 PRO HG2 1 51 TRP HE3 . . 4.070 2.385 2.321 2.563 . 0 0 "[ . 1 . 2]" 1
632 1 23 PRO HG2 1 51 TRP HZ3 . . 4.260 2.836 2.690 3.011 . 0 0 "[ . 1 . 2]" 1
633 1 23 PRO HG2 1 104 ASN HD22 . . 5.500 5.505 5.400 5.533 0.033 12 0 "[ . 1 . 2]" 1
634 1 23 PRO HG3 1 51 TRP HH2 . . 5.460 5.153 5.106 5.211 . 0 0 "[ . 1 . 2]" 1
635 1 24 VAL H 1 24 VAL HB . . 4.020 3.769 3.726 3.822 . 0 0 "[ . 1 . 2]" 1
636 1 24 VAL H 1 24 VAL MG1 . . 3.200 2.563 2.479 2.626 . 0 0 "[ . 1 . 2]" 1
637 1 24 VAL H 1 24 VAL MG2 . . 2.690 2.249 2.123 2.359 . 0 0 "[ . 1 . 2]" 1
638 1 24 VAL H 1 25 HIS H . . 2.860 2.647 2.530 2.724 . 0 0 "[ . 1 . 2]" 1
639 1 24 VAL H 1 25 HIS HA . . 5.120 5.116 5.074 5.144 0.024 7 0 "[ . 1 . 2]" 1
640 1 24 VAL H 1 25 HIS HB2 . . 4.880 4.198 4.001 4.321 . 0 0 "[ . 1 . 2]" 1
641 1 24 VAL H 1 45 LEU QB . . 5.500 5.587 5.538 5.661 0.161 13 0 "[ . 1 . 2]" 1
642 1 24 VAL H 1 51 TRP H . . 5.500 5.473 5.336 5.546 0.046 12 0 "[ . 1 . 2]" 1
643 1 24 VAL H 1 51 TRP HB3 . . 5.500 5.555 5.506 5.586 0.086 7 0 "[ . 1 . 2]" 1
644 1 24 VAL H 1 54 PHE QD . . 5.500 5.517 5.439 5.566 0.066 19 0 "[ . 1 . 2]" 1
645 1 24 VAL HA 1 24 VAL MG1 . . 3.140 2.428 2.386 2.461 . 0 0 "[ . 1 . 2]" 1
646 1 24 VAL HA 1 25 HIS H . . 3.320 3.174 3.115 3.367 0.047 9 0 "[ . 1 . 2]" 1
647 1 24 VAL HA 1 45 LEU QB . . 4.310 3.724 3.566 4.012 . 0 0 "[ . 1 . 2]" 1
648 1 24 VAL HA 1 51 TRP H . . 4.340 3.779 3.563 4.075 . 0 0 "[ . 1 . 2]" 1
649 1 24 VAL HA 1 51 TRP HB3 . . 4.950 4.515 4.251 4.741 . 0 0 "[ . 1 . 2]" 1
650 1 24 VAL HA 1 54 PHE HB2 . . 3.920 2.857 2.705 2.947 . 0 0 "[ . 1 . 2]" 1
651 1 24 VAL HB 1 25 HIS HB2 . . 5.110 4.879 4.569 5.077 . 0 0 "[ . 1 . 2]" 1
652 1 24 VAL HB 1 45 LEU QB . . 4.010 3.321 3.167 3.434 . 0 0 "[ . 1 . 2]" 1
653 1 24 VAL HB 1 49 SER H . . 5.500 5.579 5.519 5.650 0.150 14 0 "[ . 1 . 2]" 1
654 1 24 VAL HB 1 49 SER QB . . 4.960 4.290 3.865 4.514 . 0 0 "[ . 1 . 2]" 1
655 1 24 VAL HB 1 50 ASP H . . 4.540 4.379 4.311 4.457 . 0 0 "[ . 1 . 2]" 1
656 1 24 VAL HB 1 50 ASP HA . . 4.270 2.873 2.606 3.366 . 0 0 "[ . 1 . 2]" 1
657 1 24 VAL HB 1 51 TRP H . . 4.730 3.635 3.494 3.842 . 0 0 "[ . 1 . 2]" 1
658 1 24 VAL HB 1 54 PHE HB2 . . 4.430 4.393 4.251 4.478 0.048 14 0 "[ . 1 . 2]" 1
659 1 24 VAL MG1 1 50 ASP H . . 4.630 4.675 4.631 4.708 0.078 3 0 "[ . 1 . 2]" 1
660 1 24 VAL MG1 1 50 ASP HA . . 3.500 2.512 2.401 2.744 . 0 0 "[ . 1 . 2]" 1
661 1 24 VAL MG1 1 51 TRP H . . 3.140 2.077 1.968 2.180 . 0 0 "[ . 1 . 2]" 1
662 1 24 VAL MG1 1 51 TRP HA . . 3.730 2.982 2.822 3.179 . 0 0 "[ . 1 . 2]" 1
663 1 24 VAL MG1 1 51 TRP HB2 . . 3.850 2.414 2.310 2.557 . 0 0 "[ . 1 . 2]" 1
664 1 24 VAL MG1 1 51 TRP HB3 . . 4.290 2.675 2.595 2.773 . 0 0 "[ . 1 . 2]" 1
665 1 24 VAL MG1 1 52 LEU H . . 5.270 4.370 4.246 4.517 . 0 0 "[ . 1 . 2]" 1
666 1 24 VAL MG1 1 54 PHE QD . . 5.500 5.174 5.053 5.287 . 0 0 "[ . 1 . 2]" 1
667 1 24 VAL MG2 1 25 HIS H . . 3.670 3.588 3.193 3.693 0.023 20 0 "[ . 1 . 2]" 1
668 1 24 VAL MG2 1 25 HIS HB2 . . 3.960 2.889 2.403 3.170 . 0 0 "[ . 1 . 2]" 1
669 1 24 VAL MG2 1 49 SER H . . 5.500 5.505 5.410 5.532 0.032 20 0 "[ . 1 . 2]" 1
670 1 24 VAL MG2 1 50 ASP H . . 5.500 5.576 5.530 5.608 0.108 18 0 "[ . 1 . 2]" 1
671 1 24 VAL MG2 1 51 TRP H . . 4.870 4.554 4.454 4.671 . 0 0 "[ . 1 . 2]" 1
672 1 25 HIS H 1 25 HIS HB2 . . 3.450 3.153 2.931 3.271 . 0 0 "[ . 1 . 2]" 1
673 1 25 HIS H 1 25 HIS HB3 . . 3.470 3.056 2.792 3.291 . 0 0 "[ . 1 . 2]" 1
674 1 25 HIS H 1 26 PHE HA . . 5.010 4.759 4.683 4.841 . 0 0 "[ . 1 . 2]" 1
675 1 25 HIS H 1 45 LEU QB . . 5.500 4.577 4.452 4.742 . 0 0 "[ . 1 . 2]" 1
676 1 25 HIS H 1 45 LEU QD . . 4.680 4.774 4.571 5.031 0.351 18 0 "[ . 1 . 2]" 1
677 1 25 HIS H 1 51 TRP HA . . 5.500 5.423 5.170 5.562 0.062 19 0 "[ . 1 . 2]" 1
678 1 25 HIS H 1 54 PHE HB2 . . 5.380 4.850 4.517 5.100 . 0 0 "[ . 1 . 2]" 1
679 1 25 HIS H 1 54 PHE QE . . 3.920 3.823 3.684 3.962 0.042 12 0 "[ . 1 . 2]" 1
680 1 25 HIS HA 1 25 HIS HD2 . . 5.050 3.364 2.540 4.322 . 0 0 "[ . 1 . 2]" 1
681 1 25 HIS HA 1 54 PHE QD . . 3.830 3.373 3.178 3.525 . 0 0 "[ . 1 . 2]" 1
682 1 25 HIS HA 1 54 PHE QE . . 5.500 3.575 3.363 3.804 . 0 0 "[ . 1 . 2]" 1
683 1 25 HIS HB2 1 45 LEU QD . . 5.040 5.074 4.720 5.349 0.309 18 0 "[ . 1 . 2]" 1
684 1 26 PHE HA 1 26 PHE QD . . 3.740 2.299 2.170 2.427 . 0 0 "[ . 1 . 2]" 1
685 1 26 PHE HA 1 26 PHE QE . . 4.790 4.493 4.469 4.514 . 0 0 "[ . 1 . 2]" 1
686 1 26 PHE HA 1 27 VAL H . . 2.680 2.224 2.153 2.314 . 0 0 "[ . 1 . 2]" 1
687 1 26 PHE HA 1 28 GLY H . . 5.410 4.365 4.244 4.498 . 0 0 "[ . 1 . 2]" 1
688 1 26 PHE HA 1 54 PHE QD . . 5.370 5.107 4.840 5.311 . 0 0 "[ . 1 . 2]" 1
689 1 26 PHE HA 1 54 PHE QE . . 4.400 2.882 2.640 3.066 . 0 0 "[ . 1 . 2]" 1
690 1 26 PHE QB 1 27 VAL H . . 4.380 3.686 3.560 3.825 . 0 0 "[ . 1 . 2]" 1
691 1 26 PHE QB 1 54 PHE QD . . 4.390 3.999 3.848 4.217 . 0 0 "[ . 1 . 2]" 1
692 1 26 PHE QB 1 54 PHE QE . . 4.990 2.226 2.148 2.360 . 0 0 "[ . 1 . 2]" 1
693 1 26 PHE QD 1 27 VAL H . . 3.670 2.768 2.461 3.014 . 0 0 "[ . 1 . 2]" 1
694 1 26 PHE QD 1 83 THR H . . 5.500 5.532 5.453 5.574 0.074 4 0 "[ . 1 . 2]" 1
695 1 26 PHE QD 1 83 THR HB . . 4.550 4.386 4.195 4.515 . 0 0 "[ . 1 . 2]" 1
696 1 26 PHE QD 1 83 THR MG . . 4.680 4.672 4.424 4.735 0.055 11 0 "[ . 1 . 2]" 1
697 1 26 PHE QD 1 85 ILE MD . . 3.550 3.491 3.277 3.581 0.031 4 0 "[ . 1 . 2]" 1
698 1 26 PHE QD 1 85 ILE QG . . 5.340 5.175 5.015 5.290 . 0 0 "[ . 1 . 2]" 1
699 1 26 PHE QE 1 29 VAL QG . . 3.760 3.175 2.891 3.986 0.226 17 0 "[ . 1 . 2]" 1
700 1 26 PHE QE 1 83 THR HB . . 4.100 3.161 2.602 3.591 . 0 0 "[ . 1 . 2]" 1
701 1 26 PHE QE 1 83 THR MG . . 3.690 3.192 3.019 3.305 . 0 0 "[ . 1 . 2]" 1
702 1 26 PHE QE 1 85 ILE MD . . 3.600 2.969 2.752 3.154 . 0 0 "[ . 1 . 2]" 1
703 1 26 PHE QE 1 85 ILE QG . . 4.460 4.211 4.066 4.340 . 0 0 "[ . 1 . 2]" 1
704 1 26 PHE QE 1 113 LEU MD1 . . 5.330 4.395 4.130 4.911 . 0 0 "[ . 1 . 2]" 1
705 1 26 PHE QE 1 113 LEU QD . . 4.530 4.181 3.993 4.445 . 0 0 "[ . 1 . 2]" 1
706 1 26 PHE QE 1 113 LEU MD2 . . 5.330 5.278 5.079 5.360 0.030 12 0 "[ . 1 . 2]" 1
707 1 27 VAL H 1 27 VAL HB . . 2.820 2.655 2.585 2.783 . 0 0 "[ . 1 . 2]" 1
708 1 27 VAL H 1 27 VAL MG1 . . 3.980 3.907 3.873 3.956 . 0 0 "[ . 1 . 2]" 1
709 1 27 VAL H 1 27 VAL MG2 . . 3.800 2.807 2.537 2.975 . 0 0 "[ . 1 . 2]" 1
710 1 27 VAL H 1 28 GLY H . . 2.920 2.323 2.190 2.428 . 0 0 "[ . 1 . 2]" 1
711 1 27 VAL HA 1 27 VAL MG1 . . 3.210 2.406 2.335 2.437 . 0 0 "[ . 1 . 2]" 1
712 1 27 VAL HB 1 28 GLY H . . 2.810 2.571 2.354 2.807 . 0 0 "[ . 1 . 2]" 1
713 1 27 VAL MG1 1 28 GLY H . . 3.710 3.328 3.164 3.488 . 0 0 "[ . 1 . 2]" 1
714 1 27 VAL MG1 1 32 CYS QB . . 4.750 2.728 2.404 3.870 . 0 0 "[ . 1 . 2]" 1
715 1 27 VAL MG1 1 33 GLY H . . 3.940 1.848 1.752 1.998 . 0 0 "[ . 1 . 2]" 1
716 1 27 VAL MG2 1 33 GLY H . . 4.510 4.562 4.535 4.592 0.082 3 0 "[ . 1 . 2]" 1
717 1 28 GLY H 1 29 VAL H . . 4.350 4.384 4.372 4.394 0.044 4 0 "[ . 1 . 2]" 1
718 1 28 GLY QA 1 29 VAL H . . 2.770 2.231 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
719 1 28 GLY QA 1 29 VAL HB . . 5.500 4.248 3.800 4.572 . 0 0 "[ . 1 . 2]" 1
720 1 29 VAL H 1 29 VAL HB . . 3.590 2.850 2.669 3.275 . 0 0 "[ . 1 . 2]" 1
721 1 29 VAL H 1 29 VAL MG1 . . 4.170 3.528 2.231 3.957 . 0 0 "[ . 1 . 2]" 1
722 1 29 VAL H 1 29 VAL QG . . 2.850 2.597 2.219 2.756 . 0 0 "[ . 1 . 2]" 1
723 1 29 VAL H 1 29 VAL MG2 . . 4.170 3.033 2.626 3.955 . 0 0 "[ . 1 . 2]" 1
724 1 29 VAL H 1 31 SER H . . 4.510 3.693 3.434 4.034 . 0 0 "[ . 1 . 2]" 1
725 1 29 VAL HA 1 29 VAL MG1 . . 3.700 2.535 2.222 3.277 . 0 0 "[ . 1 . 2]" 1
726 1 29 VAL HA 1 29 VAL MG2 . . 3.700 2.432 2.183 2.597 . 0 0 "[ . 1 . 2]" 1
727 1 29 VAL HA 1 30 GLY H . . 2.580 2.192 2.124 2.246 . 0 0 "[ . 1 . 2]" 1
728 1 29 VAL HA 1 31 SER H . . 4.510 3.562 3.329 3.686 . 0 0 "[ . 1 . 2]" 1
729 1 29 VAL HA 1 113 LEU HG . . 5.500 4.764 4.468 5.373 . 0 0 "[ . 1 . 2]" 1
730 1 29 VAL HB 1 30 GLY H . . 4.240 4.179 3.951 4.272 0.032 4 0 "[ . 1 . 2]" 1
731 1 29 VAL QG 1 30 GLY H . . 2.940 2.612 2.262 2.837 . 0 0 "[ . 1 . 2]" 1
732 1 29 VAL QG 1 31 SER H . . 4.600 4.228 4.024 4.303 . 0 0 "[ . 1 . 2]" 1
733 1 29 VAL QG 1 83 THR HB . . 4.740 4.160 3.843 5.054 0.314 17 0 "[ . 1 . 2]" 1
734 1 29 VAL MG1 1 30 GLY H . . 4.250 2.988 2.462 4.265 0.015 20 0 "[ . 1 . 2]" 1
735 1 29 VAL MG2 1 30 GLY H . . 4.250 3.767 2.290 4.248 . 0 0 "[ . 1 . 2]" 1
736 1 30 GLY H 1 30 GLY QA . . 2.730 2.200 2.173 2.227 . 0 0 "[ . 1 . 2]" 1
737 1 30 GLY H 1 31 SER H . . 3.320 2.939 2.755 3.085 . 0 0 "[ . 1 . 2]" 1
738 1 30 GLY H 1 106 LEU MD1 . . 3.910 3.022 2.874 3.231 . 0 0 "[ . 1 . 2]" 1
739 1 30 GLY H 1 106 LEU MD2 . . 5.050 4.472 4.245 4.777 . 0 0 "[ . 1 . 2]" 1
740 1 30 GLY H 1 113 LEU QD . . 5.440 4.526 4.332 4.712 . 0 0 "[ . 1 . 2]" 1
741 1 30 GLY H 1 113 LEU HG . . 5.500 5.038 4.775 5.270 . 0 0 "[ . 1 . 2]" 1
742 1 30 GLY QA 1 31 SER H . . 3.430 2.945 2.914 2.962 . 0 0 "[ . 1 . 2]" 1
743 1 30 GLY QA 1 106 LEU MD2 . . 4.090 3.212 2.869 3.732 . 0 0 "[ . 1 . 2]" 1
744 1 30 GLY QA 1 113 LEU QD . . 5.390 5.243 4.995 5.485 0.095 17 0 "[ . 1 . 2]" 1
745 1 31 SER H 1 31 SER HA . . 2.870 2.871 2.835 2.904 0.034 12 0 "[ . 1 . 2]" 1
746 1 31 SER H 1 31 SER QB . . 3.580 3.050 2.850 3.352 . 0 0 "[ . 1 . 2]" 1
747 1 31 SER H 1 32 CYS H . . 4.690 4.328 4.298 4.358 . 0 0 "[ . 1 . 2]" 1
748 1 31 SER H 1 32 CYS HA . . 4.980 4.688 4.544 4.762 . 0 0 "[ . 1 . 2]" 1
749 1 31 SER H 1 106 LEU HB2 . . 5.150 5.094 4.879 5.219 0.069 15 0 "[ . 1 . 2]" 1
750 1 31 SER H 1 106 LEU MD1 . . 3.330 2.503 2.458 2.593 . 0 0 "[ . 1 . 2]" 1
751 1 31 SER H 1 106 LEU MD2 . . 3.790 3.426 3.294 3.530 . 0 0 "[ . 1 . 2]" 1
752 1 31 SER H 1 106 LEU HG . . 5.050 5.125 5.106 5.144 0.094 12 0 "[ . 1 . 2]" 1
753 1 31 SER HA 1 32 CYS H . . 2.810 2.425 2.352 2.538 . 0 0 "[ . 1 . 2]" 1
754 1 31 SER HA 1 106 LEU HB2 . . 4.330 4.074 3.934 4.342 0.012 15 0 "[ . 1 . 2]" 1
755 1 31 SER HA 1 106 LEU MD1 . . 3.250 2.924 2.690 3.226 . 0 0 "[ . 1 . 2]" 1
756 1 31 SER HA 1 106 LEU MD2 . . 3.310 2.150 2.043 2.246 . 0 0 "[ . 1 . 2]" 1
757 1 31 SER QB 1 106 LEU MD2 . . 4.000 3.834 3.591 4.031 0.031 13 0 "[ . 1 . 2]" 1
758 1 31 SER HB2 1 32 CYS H . . 4.040 3.339 2.351 3.946 . 0 0 "[ . 1 . 2]" 1
759 1 31 SER HB3 1 32 CYS H . . 4.040 3.252 2.382 3.831 . 0 0 "[ . 1 . 2]" 1
760 1 32 CYS H 1 32 CYS HB2 . . 3.660 2.525 2.463 2.840 . 0 0 "[ . 1 . 2]" 1
761 1 32 CYS H 1 32 CYS QB . . 2.950 2.466 2.428 2.581 . 0 0 "[ . 1 . 2]" 1
762 1 32 CYS H 1 32 CYS HB3 . . 3.660 3.613 2.943 3.698 0.038 17 0 "[ . 1 . 2]" 1
763 1 32 CYS H 1 33 GLY H . . 4.270 4.277 4.089 4.394 0.124 20 0 "[ . 1 . 2]" 1
764 1 32 CYS H 1 106 LEU HB2 . . 4.570 4.287 4.190 4.449 . 0 0 "[ . 1 . 2]" 1
765 1 32 CYS H 1 106 LEU HB3 . . 5.500 5.517 5.422 5.553 0.053 1 0 "[ . 1 . 2]" 1
766 1 32 CYS H 1 106 LEU MD1 . . 4.290 3.928 3.721 4.152 . 0 0 "[ . 1 . 2]" 1
767 1 32 CYS H 1 106 LEU MD2 . . 3.880 3.542 3.256 3.719 . 0 0 "[ . 1 . 2]" 1
768 1 32 CYS QB 1 33 GLY H . . 3.910 3.461 2.899 3.880 . 0 0 "[ . 1 . 2]" 1
769 1 32 CYS HB2 1 33 GLY H . . 4.720 4.379 3.970 4.574 . 0 0 "[ . 1 . 2]" 1
770 1 32 CYS HB3 1 33 GLY H . . 4.720 3.631 2.980 4.194 . 0 0 "[ . 1 . 2]" 1
771 1 33 GLY H 1 33 GLY QA . . 2.630 2.266 2.226 2.334 . 0 0 "[ . 1 . 2]" 1
772 1 33 GLY QA 1 34 SER H . . 2.400 2.273 2.178 2.422 0.022 2 0 "[ . 1 . 2]" 1
773 1 34 SER H 1 34 SER HB2 . . 3.240 2.780 2.345 3.430 0.190 4 0 "[ . 1 . 2]" 1
774 1 34 SER H 1 34 SER QB . . 2.750 2.453 2.210 2.803 0.053 10 0 "[ . 1 . 2]" 1
775 1 34 SER H 1 34 SER HB3 . . 3.240 2.796 2.566 3.435 0.195 1 0 "[ . 1 . 2]" 1
776 1 34 SER HA 1 35 GLY H . . 3.080 2.385 2.154 2.588 . 0 0 "[ . 1 . 2]" 1
777 1 34 SER QB 1 35 GLY H . . 3.900 3.193 2.921 3.847 . 0 0 "[ . 1 . 2]" 1
778 1 35 GLY QA 1 36 GLY H . . 2.900 2.326 2.167 2.916 0.016 1 0 "[ . 1 . 2]" 1
779 1 36 GLY QA 1 37 SER H . . 2.850 2.483 2.160 2.921 0.071 20 0 "[ . 1 . 2]" 1
780 1 37 SER H 1 37 SER HB2 . . 3.880 3.034 2.494 3.882 0.002 2 0 "[ . 1 . 2]" 1
781 1 37 SER H 1 37 SER QB . . 3.360 2.706 2.453 3.253 . 0 0 "[ . 1 . 2]" 1
782 1 37 SER H 1 37 SER HB3 . . 3.880 3.466 2.557 3.886 0.006 1 0 "[ . 1 . 2]" 1
783 1 37 SER H 1 39 ILE MD . . 5.500 4.615 2.145 5.521 0.021 5 0 "[ . 1 . 2]" 1
784 1 37 SER HA 1 38 GLY H . . 3.030 2.349 2.170 2.461 . 0 0 "[ . 1 . 2]" 1
785 1 37 SER HA 1 39 ILE H . . 4.760 4.305 3.917 4.628 . 0 0 "[ . 1 . 2]" 1
786 1 37 SER QB 1 39 ILE MD . . 3.680 2.781 2.149 3.717 0.037 16 0 "[ . 1 . 2]" 1
787 1 37 SER QB 1 39 ILE QG . . 4.130 2.647 2.111 4.174 0.044 14 0 "[ . 1 . 2]" 1
788 1 38 GLY H 1 39 ILE H . . 3.540 3.023 2.603 3.555 0.015 2 0 "[ . 1 . 2]" 1
789 1 38 GLY QA 1 39 ILE QG . . 4.140 4.148 4.047 4.190 0.050 2 0 "[ . 1 . 2]" 1
790 1 39 ILE H 1 39 ILE HB . . 2.860 2.509 2.385 2.621 . 0 0 "[ . 1 . 2]" 1
791 1 39 ILE H 1 39 ILE MD . . 3.570 3.362 1.879 3.553 . 0 0 "[ . 1 . 2]" 1
792 1 39 ILE H 1 39 ILE HG12 . . 3.860 3.322 2.224 3.899 0.039 14 0 "[ . 1 . 2]" 1
793 1 39 ILE H 1 39 ILE QG . . 3.020 2.170 1.943 2.848 . 0 0 "[ . 1 . 2]" 1
794 1 39 ILE H 1 39 ILE HG13 . . 3.860 2.404 1.956 3.800 . 0 0 "[ . 1 . 2]" 1
795 1 39 ILE H 1 40 PHE QB . . 5.340 5.293 5.120 5.405 0.065 19 0 "[ . 1 . 2]" 1
796 1 39 ILE HA 1 39 ILE QG . . 3.650 2.559 2.421 3.133 . 0 0 "[ . 1 . 2]" 1
797 1 39 ILE HA 1 39 ILE MG . . 3.470 2.442 2.318 2.522 . 0 0 "[ . 1 . 2]" 1
798 1 39 ILE HA 1 40 PHE H . . 2.520 2.132 2.064 2.277 . 0 0 "[ . 1 . 2]" 1
799 1 39 ILE HA 1 41 LEU H . . 4.390 3.823 3.579 4.128 . 0 0 "[ . 1 . 2]" 1
800 1 39 ILE HA 1 41 LEU QD . . 4.130 3.836 3.267 4.611 0.481 16 0 "[ . 1 . 2]" 1
801 1 39 ILE HB 1 40 PHE H . . 3.930 3.991 3.605 4.047 0.117 13 0 "[ . 1 . 2]" 1
802 1 39 ILE HB 1 41 LEU H . . 4.790 4.485 3.952 4.806 0.016 8 0 "[ . 1 . 2]" 1
803 1 39 ILE QG 1 40 PHE H . . 4.310 4.122 3.950 4.441 0.131 7 0 "[ . 1 . 2]" 1
804 1 39 ILE HG12 1 40 PHE H . . 5.120 4.447 4.177 5.139 0.019 14 0 "[ . 1 . 2]" 1
805 1 39 ILE HG13 1 40 PHE H . . 5.120 4.927 4.561 5.085 . 0 0 "[ . 1 . 2]" 1
806 1 39 ILE MG 1 40 PHE H . . 3.320 2.443 2.086 2.561 . 0 0 "[ . 1 . 2]" 1
807 1 39 ILE MG 1 41 LEU H . . 3.890 2.128 1.830 2.416 . 0 0 "[ . 1 . 2]" 1
808 1 40 PHE H 1 40 PHE QB . . 3.010 2.848 2.648 3.022 0.012 7 0 "[ . 1 . 2]" 1
809 1 40 PHE H 1 40 PHE QD . . 4.490 3.520 2.504 4.512 0.022 8 0 "[ . 1 . 2]" 1
810 1 40 PHE H 1 41 LEU H . . 3.840 2.142 1.860 2.279 . 0 0 "[ . 1 . 2]" 1
811 1 40 PHE H 1 41 LEU HA . . 4.520 4.410 4.171 4.540 0.020 5 0 "[ . 1 . 2]" 1
812 1 40 PHE H 1 41 LEU QB . . 4.340 4.001 3.764 4.284 . 0 0 "[ . 1 . 2]" 1
813 1 40 PHE H 1 41 LEU MD1 . . 4.810 4.463 2.796 4.893 0.083 8 0 "[ . 1 . 2]" 1
814 1 40 PHE H 1 41 LEU QD . . 4.090 3.103 2.398 3.956 . 0 0 "[ . 1 . 2]" 1
815 1 40 PHE H 1 41 LEU MD2 . . 4.810 3.417 2.404 4.815 0.005 11 0 "[ . 1 . 2]" 1
816 1 40 PHE HA 1 41 LEU H . . 3.470 3.130 3.037 3.319 . 0 0 "[ . 1 . 2]" 1
817 1 40 PHE HA 1 42 GLU H . . 3.690 3.492 3.244 3.694 0.004 19 0 "[ . 1 . 2]" 1
818 1 40 PHE QB 1 41 LEU H . . 4.010 3.883 3.624 4.030 0.020 11 0 "[ . 1 . 2]" 1
819 1 40 PHE QB 1 41 LEU QD . . 5.280 4.230 3.160 5.205 . 0 0 "[ . 1 . 2]" 1
820 1 40 PHE QB 1 42 GLU H . . 5.340 4.904 4.638 5.089 . 0 0 "[ . 1 . 2]" 1
821 1 40 PHE HB2 1 41 LEU H . . 4.680 4.491 4.349 4.545 . 0 0 "[ . 1 . 2]" 1
822 1 40 PHE HB3 1 41 LEU H . . 4.680 4.261 3.879 4.511 . 0 0 "[ . 1 . 2]" 1
823 1 40 PHE QD 1 41 LEU HA . . 4.740 4.514 3.775 4.798 0.058 17 0 "[ . 1 . 2]" 1
824 1 41 LEU H 1 41 LEU QB . . 2.520 2.297 2.151 2.531 0.011 8 0 "[ . 1 . 2]" 1
825 1 41 LEU H 1 41 LEU MD1 . . 4.200 3.644 2.429 4.100 . 0 0 "[ . 1 . 2]" 1
826 1 41 LEU H 1 41 LEU MD2 . . 4.200 2.988 2.146 3.809 . 0 0 "[ . 1 . 2]" 1
827 1 41 LEU H 1 41 LEU HG . . 4.750 3.258 1.990 4.169 . 0 0 "[ . 1 . 2]" 1
828 1 41 LEU H 1 42 GLU H . . 3.260 2.595 2.279 2.775 . 0 0 "[ . 1 . 2]" 1
829 1 41 LEU H 1 42 GLU QG . . 5.500 4.772 3.623 5.636 0.136 18 0 "[ . 1 . 2]" 1
830 1 41 LEU HA 1 41 LEU QD . . 3.310 2.199 2.022 3.506 0.196 8 0 "[ . 1 . 2]" 1
831 1 41 LEU QB 1 42 GLU H . . 3.280 3.089 2.733 3.461 0.181 8 0 "[ . 1 . 2]" 1
832 1 41 LEU QD 1 42 GLU H . . 4.200 4.093 2.486 4.420 0.220 13 0 "[ . 1 . 2]" 1
833 1 41 LEU MD1 1 42 GLU H . . 5.260 4.722 2.504 4.986 . 0 0 "[ . 1 . 2]" 1
834 1 41 LEU MD2 1 42 GLU H . . 5.260 4.585 4.199 5.079 . 0 0 "[ . 1 . 2]" 1
835 1 42 GLU H 1 42 GLU HB2 . . 3.720 2.934 2.025 3.788 0.068 13 0 "[ . 1 . 2]" 1
836 1 42 GLU H 1 42 GLU QB . . 2.890 2.401 1.997 2.971 0.081 13 0 "[ . 1 . 2]" 1
837 1 42 GLU H 1 42 GLU HB3 . . 3.720 2.926 2.539 3.702 . 0 0 "[ . 1 . 2]" 1
838 1 42 GLU H 1 42 GLU QG . . 3.940 2.891 1.866 3.945 0.005 18 0 "[ . 1 . 2]" 1
839 1 42 GLU H 1 44 SER QB . . 5.220 4.768 3.986 5.069 . 0 0 "[ . 1 . 2]" 1
840 1 42 GLU HA 1 43 THR H . . 2.730 2.391 2.259 2.481 . 0 0 "[ . 1 . 2]" 1
841 1 42 GLU QB 1 43 THR HB . . 5.320 4.382 4.028 4.702 . 0 0 "[ . 1 . 2]" 1
842 1 42 GLU QB 1 44 SER H . . 4.670 2.573 1.844 3.031 . 0 0 "[ . 1 . 2]" 1
843 1 42 GLU QB 1 44 SER HA . . 5.340 3.964 3.151 4.633 . 0 0 "[ . 1 . 2]" 1
844 1 42 GLU QB 1 44 SER QB . . 4.660 3.655 2.800 4.585 . 0 0 "[ . 1 . 2]" 1
845 1 42 GLU QB 1 45 LEU H . . 5.340 5.230 4.335 5.388 0.048 13 0 "[ . 1 . 2]" 1
846 1 42 GLU HB2 1 43 THR H . . 3.930 3.240 2.249 4.046 0.116 5 0 "[ . 1 . 2]" 1
847 1 42 GLU HB3 1 43 THR H . . 3.930 3.375 2.634 3.947 0.017 14 0 "[ . 1 . 2]" 1
848 1 42 GLU QG 1 43 THR H . . 4.210 2.955 1.914 3.716 . 0 0 "[ . 1 . 2]" 1
849 1 42 GLU QG 1 43 THR HB . . 4.870 4.448 3.477 4.938 0.068 11 0 "[ . 1 . 2]" 1
850 1 42 GLU QG 1 44 SER H . . 4.380 2.762 1.906 3.693 . 0 0 "[ . 1 . 2]" 1
851 1 42 GLU QG 1 45 LEU H . . 5.500 5.190 4.395 5.565 0.065 9 0 "[ . 1 . 2]" 1
852 1 43 THR H 1 43 THR HB . . 2.610 2.546 2.423 2.623 0.013 3 0 "[ . 1 . 2]" 1
853 1 43 THR H 1 43 THR MG . . 3.850 3.788 3.695 3.835 . 0 0 "[ . 1 . 2]" 1
854 1 43 THR H 1 44 SER H . . 3.600 2.655 2.447 2.820 . 0 0 "[ . 1 . 2]" 1
855 1 43 THR H 1 44 SER QB . . 4.990 4.805 4.578 5.003 0.013 11 0 "[ . 1 . 2]" 1
856 1 43 THR HA 1 43 THR MG . . 3.660 2.406 2.337 2.500 . 0 0 "[ . 1 . 2]" 1
857 1 43 THR HB 1 44 SER H . . 3.160 2.929 2.765 3.168 0.008 9 0 "[ . 1 . 2]" 1
858 1 43 THR MG 1 45 LEU H . . 4.550 3.338 2.503 4.012 . 0 0 "[ . 1 . 2]" 1
859 1 43 THR MG 1 46 SER H . . 5.500 5.007 1.907 5.606 0.106 10 0 "[ . 1 . 2]" 1
860 1 44 SER H 1 44 SER HA . . 2.860 2.266 2.236 2.291 . 0 0 "[ . 1 . 2]" 1
861 1 44 SER H 1 44 SER QB . . 2.980 2.791 2.698 2.870 . 0 0 "[ . 1 . 2]" 1
862 1 44 SER HA 1 45 LEU H . . 3.210 2.535 2.295 3.022 . 0 0 "[ . 1 . 2]" 1
863 1 44 SER QB 1 45 LEU H . . 4.150 4.016 3.779 4.085 . 0 0 "[ . 1 . 2]" 1
864 1 45 LEU H 1 45 LEU HA . . 2.870 2.736 2.224 2.874 0.004 18 0 "[ . 1 . 2]" 1
865 1 45 LEU H 1 45 LEU QB . . 3.100 2.493 2.284 3.262 0.162 14 0 "[ . 1 . 2]" 1
866 1 45 LEU H 1 45 LEU QD . . 3.870 2.052 1.727 2.534 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU H 1 45 LEU HG . . 3.210 3.122 2.636 3.273 0.063 7 0 "[ . 1 . 2]" 1
868 1 45 LEU HA 1 45 LEU QD . . 3.710 3.041 3.000 3.118 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU HA 1 45 LEU HG . . 3.590 2.352 2.295 2.481 . 0 0 "[ . 1 . 2]" 1
870 1 45 LEU HA 1 46 SER H . . 3.470 3.120 2.098 3.472 0.002 11 0 "[ . 1 . 2]" 1
871 1 45 LEU HA 1 49 SER H . . 4.560 3.976 3.535 4.642 0.082 14 0 "[ . 1 . 2]" 1
872 1 45 LEU QB 1 46 SER H . . 3.970 3.329 2.791 3.869 . 0 0 "[ . 1 . 2]" 1
873 1 45 LEU QB 1 49 SER QB . . 4.420 2.255 2.163 2.566 . 0 0 "[ . 1 . 2]" 1
874 1 45 LEU QB 1 51 TRP H . . 5.500 5.572 5.502 5.659 0.159 14 0 "[ . 1 . 2]" 1
875 1 45 LEU QB 1 54 PHE QD . . 4.740 3.234 3.050 3.564 . 0 0 "[ . 1 . 2]" 1
876 1 45 LEU QD 1 49 SER QB . . 4.790 2.208 2.045 2.445 . 0 0 "[ . 1 . 2]" 1
877 1 45 LEU QD 1 50 ASP H . . 4.400 2.965 2.301 3.234 . 0 0 "[ . 1 . 2]" 1
878 1 45 LEU QD 1 51 TRP HA . . 4.660 4.349 3.778 4.603 . 0 0 "[ . 1 . 2]" 1
879 1 45 LEU QD 1 53 THR H . . 4.500 4.274 3.841 4.572 0.072 7 0 "[ . 1 . 2]" 1
880 1 45 LEU QD 1 54 PHE H . . 4.980 2.946 2.663 3.099 . 0 0 "[ . 1 . 2]" 1
881 1 45 LEU QD 1 54 PHE HB2 . . 4.120 2.264 2.076 2.383 . 0 0 "[ . 1 . 2]" 1
882 1 45 LEU HG 1 49 SER QB . . 5.260 2.792 2.325 3.089 . 0 0 "[ . 1 . 2]" 1
883 1 46 SER H 1 46 SER QB . . 2.860 2.515 2.206 2.818 . 0 0 "[ . 1 . 2]" 1
884 1 46 SER H 1 47 ALA MB . . 5.140 4.574 4.331 4.738 . 0 0 "[ . 1 . 2]" 1
885 1 46 SER QB 1 47 ALA H . . 3.270 2.940 2.140 3.386 0.116 8 0 "[ . 1 . 2]" 1
886 1 47 ALA H 1 47 ALA MB . . 2.670 2.496 2.325 2.602 . 0 0 "[ . 1 . 2]" 1
887 1 47 ALA HA 1 48 GLY H . . 2.720 2.107 2.075 2.182 . 0 0 "[ . 1 . 2]" 1
888 1 47 ALA HA 1 49 SER H . . 5.000 3.714 3.571 3.830 . 0 0 "[ . 1 . 2]" 1
889 1 47 ALA MB 1 48 GLY H . . 3.330 3.326 3.020 3.392 0.062 10 0 "[ . 1 . 2]" 1
890 1 47 ALA MB 1 48 GLY QA . . 4.670 3.936 3.794 3.974 . 0 0 "[ . 1 . 2]" 1
891 1 47 ALA MB 1 49 SER H . . 4.650 4.633 4.540 4.685 0.035 8 0 "[ . 1 . 2]" 1
892 1 48 GLY H 1 48 GLY QA . . 2.570 2.271 2.212 2.305 . 0 0 "[ . 1 . 2]" 1
893 1 48 GLY H 1 49 SER H . . 3.390 2.620 2.525 2.869 . 0 0 "[ . 1 . 2]" 1
894 1 48 GLY QA 1 49 SER H . . 3.030 2.993 2.946 3.011 . 0 0 "[ . 1 . 2]" 1
895 1 48 GLY HA2 1 49 SER H . . 3.500 3.324 3.179 3.381 . 0 0 "[ . 1 . 2]" 1
896 1 48 GLY HA3 1 49 SER H . . 3.500 3.403 3.327 3.500 . 0 0 "[ . 1 . 2]" 1
897 1 49 SER H 1 49 SER QB . . 2.860 2.745 2.403 2.864 0.004 8 0 "[ . 1 . 2]" 1
898 1 49 SER H 1 50 ASP QB . . 5.340 5.108 4.960 5.407 0.067 5 0 "[ . 1 . 2]" 1
899 1 49 SER HA 1 50 ASP H . . 3.560 2.754 2.518 2.913 . 0 0 "[ . 1 . 2]" 1
900 1 49 SER QB 1 50 ASP H . . 3.210 2.058 1.894 2.270 . 0 0 "[ . 1 . 2]" 1
901 1 49 SER QB 1 51 TRP H . . 5.500 5.570 5.517 5.628 0.128 15 0 "[ . 1 . 2]" 1
902 1 50 ASP H 1 50 ASP HB2 . . 3.940 3.310 2.692 3.953 0.013 7 0 "[ . 1 . 2]" 1
903 1 50 ASP H 1 50 ASP QB . . 3.300 2.922 2.635 3.308 0.008 7 0 "[ . 1 . 2]" 1
904 1 50 ASP H 1 50 ASP HB3 . . 3.940 3.303 3.020 3.757 . 0 0 "[ . 1 . 2]" 1
905 1 50 ASP H 1 53 THR MG . . 4.740 3.982 3.528 4.436 . 0 0 "[ . 1 . 2]" 1
906 1 50 ASP HA 1 51 TRP H . . 2.730 2.363 2.181 2.436 . 0 0 "[ . 1 . 2]" 1
907 1 50 ASP HA 1 53 THR H . . 5.060 4.881 4.690 5.068 0.008 13 0 "[ . 1 . 2]" 1
908 1 50 ASP HA 1 54 PHE H . . 5.500 5.173 5.111 5.313 . 0 0 "[ . 1 . 2]" 1
909 1 50 ASP QB 1 51 TRP H . . 3.090 2.783 2.178 3.147 0.057 9 0 "[ . 1 . 2]" 1
910 1 50 ASP QB 1 51 TRP HD1 . . 5.290 5.141 4.755 5.346 0.056 8 0 "[ . 1 . 2]" 1
911 1 50 ASP QB 1 52 LEU H . . 3.170 2.497 2.316 2.907 . 0 0 "[ . 1 . 2]" 1
912 1 50 ASP QB 1 53 THR H . . 4.960 3.132 2.628 4.140 . 0 0 "[ . 1 . 2]" 1
913 1 51 TRP H 1 51 TRP HB2 . . 3.230 2.960 2.896 3.008 . 0 0 "[ . 1 . 2]" 1
914 1 51 TRP H 1 51 TRP HB3 . . 2.570 2.103 2.073 2.127 . 0 0 "[ . 1 . 2]" 1
915 1 51 TRP H 1 51 TRP HD1 . . 4.250 4.250 4.168 4.318 0.068 19 0 "[ . 1 . 2]" 1
916 1 51 TRP H 1 52 LEU H . . 3.020 2.731 2.567 2.911 . 0 0 "[ . 1 . 2]" 1
917 1 51 TRP H 1 52 LEU HB2 . . 5.150 4.544 4.255 4.836 . 0 0 "[ . 1 . 2]" 1
918 1 51 TRP H 1 53 THR H . . 5.500 4.462 4.288 4.701 . 0 0 "[ . 1 . 2]" 1
919 1 51 TRP H 1 54 PHE H . . 5.500 4.640 4.574 4.701 . 0 0 "[ . 1 . 2]" 1
920 1 51 TRP HA 1 51 TRP HD1 . . 4.850 4.715 4.676 4.780 . 0 0 "[ . 1 . 2]" 1
921 1 51 TRP HA 1 53 THR H . . 4.540 4.399 4.105 4.580 0.040 13 0 "[ . 1 . 2]" 1
922 1 51 TRP HA 1 54 PHE H . . 3.410 3.218 3.074 3.325 . 0 0 "[ . 1 . 2]" 1
923 1 51 TRP HA 1 54 PHE HB2 . . 4.530 2.744 2.474 2.930 . 0 0 "[ . 1 . 2]" 1
924 1 51 TRP HA 1 54 PHE HB3 . . 4.300 2.104 2.080 2.170 . 0 0 "[ . 1 . 2]" 1
925 1 51 TRP HA 1 54 PHE QD . . 4.500 3.656 3.558 3.786 . 0 0 "[ . 1 . 2]" 1
926 1 51 TRP HA 1 55 GLN H . . 4.820 4.135 4.051 4.237 . 0 0 "[ . 1 . 2]" 1
927 1 51 TRP HB2 1 51 TRP HD1 . . 3.820 3.704 3.662 3.731 . 0 0 "[ . 1 . 2]" 1
928 1 51 TRP HB2 1 52 LEU H . . 4.460 4.203 4.130 4.329 . 0 0 "[ . 1 . 2]" 1
929 1 51 TRP HB3 1 51 TRP HD1 . . 3.150 2.551 2.501 2.590 . 0 0 "[ . 1 . 2]" 1
930 1 51 TRP HB3 1 52 LEU H . . 3.390 3.054 2.939 3.226 . 0 0 "[ . 1 . 2]" 1
931 1 51 TRP HB3 1 52 LEU HB2 . . 5.350 4.659 4.529 4.805 . 0 0 "[ . 1 . 2]" 1
932 1 51 TRP HD1 1 52 LEU H . . 4.280 3.415 3.267 3.553 . 0 0 "[ . 1 . 2]" 1
933 1 51 TRP HD1 1 52 LEU HA . . 4.710 3.994 3.841 4.216 . 0 0 "[ . 1 . 2]" 1
934 1 51 TRP HD1 1 52 LEU QD . . 4.120 3.199 2.938 4.346 0.226 16 0 "[ . 1 . 2]" 1
935 1 51 TRP HD1 1 52 LEU HG . . 5.500 5.419 4.225 5.550 0.050 13 0 "[ . 1 . 2]" 1
936 1 51 TRP HD1 1 55 GLN HE22 . . 4.360 4.177 4.087 4.304 . 0 0 "[ . 1 . 2]" 1
937 1 51 TRP HD1 1 93 LYS QE . . 4.140 3.760 3.670 4.266 0.126 19 0 "[ . 1 . 2]" 1
938 1 51 TRP HE1 1 52 LEU QD . . 4.600 3.432 3.144 4.822 0.222 16 0 "[ . 1 . 2]" 1
939 1 51 TRP HE1 1 55 GLN HE21 . . 4.060 4.085 4.073 4.099 0.039 11 0 "[ . 1 . 2]" 1
940 1 51 TRP HE1 1 55 GLN HE22 . . 3.560 3.126 3.031 3.195 . 0 0 "[ . 1 . 2]" 1
941 1 51 TRP HE1 1 55 GLN QG . . 5.300 5.193 5.075 5.279 . 0 0 "[ . 1 . 2]" 1
942 1 51 TRP HE1 1 93 LYS HB3 . . 5.500 5.435 5.023 5.512 0.012 12 0 "[ . 1 . 2]" 1
943 1 51 TRP HE1 1 93 LYS QD . . 3.560 3.449 1.935 3.623 0.063 12 0 "[ . 1 . 2]" 1
944 1 51 TRP HE1 1 93 LYS HE2 . . 4.490 3.041 2.785 4.605 0.115 18 0 "[ . 1 . 2]" 1
945 1 51 TRP HE1 1 93 LYS QE . . 3.620 2.061 1.863 3.461 . 0 0 "[ . 1 . 2]" 1
946 1 51 TRP HE1 1 93 LYS HE3 . . 4.490 2.099 1.882 3.577 . 0 0 "[ . 1 . 2]" 1
947 1 51 TRP HE1 1 93 LYS HG3 . . 4.810 3.507 3.378 3.590 . 0 0 "[ . 1 . 2]" 1
948 1 51 TRP HE1 1 93 LYS QZ . . 3.350 3.407 3.397 3.424 0.074 18 0 "[ . 1 . 2]" 1
949 1 51 TRP HE3 1 55 GLN QG . . 3.610 3.348 3.227 3.474 . 0 0 "[ . 1 . 2]" 1
950 1 51 TRP HH2 1 55 GLN QG . . 3.630 3.077 2.947 3.156 . 0 0 "[ . 1 . 2]" 1
951 1 51 TRP HH2 1 59 ILE MD . . 4.370 4.339 3.952 4.395 0.025 14 0 "[ . 1 . 2]" 1
952 1 51 TRP HH2 1 92 VAL HB . . 4.720 2.481 2.344 2.554 . 0 0 "[ . 1 . 2]" 1
953 1 51 TRP HH2 1 92 VAL MG1 . . 3.930 3.264 2.805 3.431 . 0 0 "[ . 1 . 2]" 1
954 1 51 TRP HH2 1 93 LYS HB2 . . 4.840 3.211 2.938 3.722 . 0 0 "[ . 1 . 2]" 1
955 1 51 TRP HZ2 1 89 PRO HB2 . . 3.630 2.308 2.258 2.385 . 0 0 "[ . 1 . 2]" 1
956 1 51 TRP HZ2 1 89 PRO QB . . 3.080 2.231 2.148 2.304 . 0 0 "[ . 1 . 2]" 1
957 1 51 TRP HZ2 1 89 PRO HB3 . . 3.630 2.999 2.547 3.282 . 0 0 "[ . 1 . 2]" 1
958 1 51 TRP HZ2 1 92 VAL HB . . 5.500 4.706 4.166 4.904 . 0 0 "[ . 1 . 2]" 1
959 1 51 TRP HZ2 1 93 LYS H . . 5.280 4.369 4.139 4.445 . 0 0 "[ . 1 . 2]" 1
960 1 51 TRP HZ2 1 93 LYS HB2 . . 4.650 2.860 2.821 2.906 . 0 0 "[ . 1 . 2]" 1
961 1 51 TRP HZ3 1 54 PHE QD . . 3.860 2.763 2.468 2.992 . 0 0 "[ . 1 . 2]" 1
962 1 51 TRP HZ3 1 55 GLN HA . . 4.750 4.647 4.436 4.762 0.012 7 0 "[ . 1 . 2]" 1
963 1 51 TRP HZ3 1 59 ILE MD . . 4.270 3.232 2.867 3.331 . 0 0 "[ . 1 . 2]" 1
964 1 51 TRP HZ3 1 59 ILE MG . . 5.410 4.826 4.426 4.984 . 0 0 "[ . 1 . 2]" 1
965 1 51 TRP HZ3 1 92 VAL MG1 . . 3.370 2.145 2.065 2.195 . 0 0 "[ . 1 . 2]" 1
966 1 52 LEU H 1 52 LEU HA . . 2.890 2.833 2.811 2.878 . 0 0 "[ . 1 . 2]" 1
967 1 52 LEU H 1 52 LEU HB2 . . 2.620 2.083 2.016 2.166 . 0 0 "[ . 1 . 2]" 1
968 1 52 LEU H 1 52 LEU HB3 . . 3.020 3.011 2.951 3.047 0.027 19 0 "[ . 1 . 2]" 1
969 1 52 LEU H 1 52 LEU MD1 . . 4.540 4.296 3.938 4.355 . 0 0 "[ . 1 . 2]" 1
970 1 52 LEU H 1 52 LEU QD . . 3.540 3.373 3.232 3.744 0.204 16 0 "[ . 1 . 2]" 1
971 1 52 LEU H 1 52 LEU MD2 . . 4.540 3.564 3.341 4.429 . 0 0 "[ . 1 . 2]" 1
972 1 52 LEU H 1 53 THR H . . 2.820 2.803 2.685 2.862 0.042 8 0 "[ . 1 . 2]" 1
973 1 52 LEU HA 1 52 LEU MD1 . . 4.050 2.514 2.323 3.686 . 0 0 "[ . 1 . 2]" 1
974 1 52 LEU HA 1 52 LEU QD . . 3.470 2.053 1.968 2.684 . 0 0 "[ . 1 . 2]" 1
975 1 52 LEU HA 1 52 LEU MD2 . . 4.050 2.188 2.118 2.765 . 0 0 "[ . 1 . 2]" 1
976 1 52 LEU HA 1 55 GLN HE22 . . 3.370 2.490 2.420 2.530 . 0 0 "[ . 1 . 2]" 1
977 1 52 LEU HB2 1 53 THR H . . 3.700 3.555 3.342 3.678 . 0 0 "[ . 1 . 2]" 1
978 1 52 LEU HB2 1 55 GLN HE22 . . 5.330 4.926 4.599 5.111 . 0 0 "[ . 1 . 2]" 1
979 1 52 LEU HB3 1 53 THR H . . 3.050 2.820 2.581 3.115 0.065 5 0 "[ . 1 . 2]" 1
980 1 52 LEU HB3 1 55 GLN HE22 . . 5.430 5.418 5.272 5.463 0.033 9 0 "[ . 1 . 2]" 1
981 1 52 LEU QD 1 53 THR HA . . 4.230 4.074 3.886 4.298 0.068 5 0 "[ . 1 . 2]" 1
982 1 52 LEU QD 1 55 GLN HE21 . . 4.230 3.459 3.207 4.205 . 0 0 "[ . 1 . 2]" 1
983 1 52 LEU QD 1 55 GLN HE22 . . 3.440 2.694 2.377 3.813 0.373 16 0 "[ . 1 . 2]" 1
984 1 52 LEU QD 1 56 LYS H . . 5.210 4.835 4.540 5.257 0.047 1 0 "[ . 1 . 2]" 1
985 1 52 LEU MD1 1 55 GLN HE22 . . 4.630 3.614 3.324 4.687 0.057 5 0 "[ . 1 . 2]" 1
986 1 52 LEU MD2 1 55 GLN HE22 . . 4.630 2.784 2.429 4.040 . 0 0 "[ . 1 . 2]" 1
987 1 53 THR H 1 53 THR HB . . 3.620 3.640 3.583 3.693 0.073 9 0 "[ . 1 . 2]" 1
988 1 53 THR H 1 53 THR MG . . 3.500 2.691 2.460 2.894 . 0 0 "[ . 1 . 2]" 1
989 1 53 THR H 1 54 PHE HB2 . . 5.220 4.780 4.489 5.075 . 0 0 "[ . 1 . 2]" 1
990 1 53 THR H 1 56 LYS H . . 5.500 5.334 5.246 5.481 . 0 0 "[ . 1 . 2]" 1
991 1 53 THR HA 1 53 THR MG . . 3.040 2.277 2.243 2.321 . 0 0 "[ . 1 . 2]" 1
992 1 53 THR HA 1 56 LYS H . . 5.060 3.354 3.197 3.644 . 0 0 "[ . 1 . 2]" 1
993 1 53 THR HB 1 54 PHE H . . 4.370 3.812 3.700 3.969 . 0 0 "[ . 1 . 2]" 1
994 1 53 THR HB 1 57 LYS H . . 5.190 4.652 4.491 4.848 . 0 0 "[ . 1 . 2]" 1
995 1 53 THR MG 1 54 PHE H . . 4.680 4.215 4.162 4.274 . 0 0 "[ . 1 . 2]" 1
996 1 53 THR MG 1 57 LYS H . . 5.500 5.399 5.189 5.528 0.028 13 0 "[ . 1 . 2]" 1
997 1 54 PHE H 1 54 PHE HB2 . . 2.830 2.534 2.498 2.608 . 0 0 "[ . 1 . 2]" 1
998 1 54 PHE H 1 54 PHE HB3 . . 2.770 2.412 2.363 2.519 . 0 0 "[ . 1 . 2]" 1
999 1 54 PHE H 1 54 PHE QD . . 4.160 4.181 4.165 4.203 0.043 19 0 "[ . 1 . 2]" 1
1000 1 54 PHE H 1 55 GLN H . . 3.060 2.910 2.842 2.959 . 0 0 "[ . 1 . 2]" 1
1001 1 54 PHE H 1 55 GLN HB2 . . 5.260 4.909 4.838 4.958 . 0 0 "[ . 1 . 2]" 1
1002 1 54 PHE H 1 55 GLN HE21 . . 4.460 4.441 4.307 4.498 0.038 7 0 "[ . 1 . 2]" 1
1003 1 54 PHE H 1 55 GLN QG . . 5.070 4.748 4.625 4.817 . 0 0 "[ . 1 . 2]" 1
1004 1 54 PHE H 1 56 LYS H . . 4.640 4.676 4.646 4.709 0.069 5 0 "[ . 1 . 2]" 1
1005 1 54 PHE H 1 57 LYS H . . 5.040 4.824 4.727 4.965 . 0 0 "[ . 1 . 2]" 1
1006 1 54 PHE H 1 57 LYS QB . . 4.820 4.480 4.357 4.687 . 0 0 "[ . 1 . 2]" 1
1007 1 54 PHE HA 1 54 PHE QD . . 3.590 3.005 2.824 3.100 . 0 0 "[ . 1 . 2]" 1
1008 1 54 PHE HA 1 56 LYS H . . 5.430 4.939 4.876 5.017 . 0 0 "[ . 1 . 2]" 1
1009 1 54 PHE HA 1 57 LYS QB . . 3.690 2.530 2.393 2.667 . 0 0 "[ . 1 . 2]" 1
1010 1 54 PHE HB2 1 55 GLN H . . 4.280 3.923 3.850 4.013 . 0 0 "[ . 1 . 2]" 1
1011 1 54 PHE HB2 1 55 GLN QG . . 5.500 5.149 5.033 5.262 . 0 0 "[ . 1 . 2]" 1
1012 1 54 PHE HB2 1 58 HIS HD2 . . 5.500 5.489 5.225 5.605 0.105 13 0 "[ . 1 . 2]" 1
1013 1 54 PHE HB3 1 55 GLN H . . 3.960 2.569 2.484 2.688 . 0 0 "[ . 1 . 2]" 1
1014 1 54 PHE QD 1 55 GLN H . . 3.510 3.070 2.974 3.196 . 0 0 "[ . 1 . 2]" 1
1015 1 54 PHE QD 1 55 GLN HA . . 3.680 3.382 3.273 3.524 . 0 0 "[ . 1 . 2]" 1
1016 1 54 PHE QD 1 55 GLN QG . . 3.430 2.659 2.525 2.876 . 0 0 "[ . 1 . 2]" 1
1017 1 54 PHE QD 1 57 LYS QB . . 4.580 4.337 3.915 4.497 . 0 0 "[ . 1 . 2]" 1
1018 1 54 PHE QD 1 58 HIS HD2 . . 4.170 4.064 3.323 4.190 0.020 19 0 "[ . 1 . 2]" 1
1019 1 54 PHE QD 1 59 ILE MD . . 3.710 3.099 2.959 3.237 . 0 0 "[ . 1 . 2]" 1
1020 1 54 PHE QD 1 59 ILE HG13 . . 5.190 4.228 4.043 4.355 . 0 0 "[ . 1 . 2]" 1
1021 1 54 PHE QD 1 85 ILE MD . . 5.500 5.448 5.349 5.504 0.004 11 0 "[ . 1 . 2]" 1
1022 1 54 PHE QE 1 55 GLN H . . 5.270 5.232 5.131 5.293 0.023 14 0 "[ . 1 . 2]" 1
1023 1 54 PHE QE 1 59 ILE MD . . 3.850 2.110 2.069 2.140 . 0 0 "[ . 1 . 2]" 1
1024 1 54 PHE QE 1 85 ILE MG . . 5.250 5.309 5.286 5.326 0.076 15 0 "[ . 1 . 2]" 1
1025 1 54 PHE HZ 1 59 ILE MD . . 3.190 3.105 2.945 3.209 0.019 18 0 "[ . 1 . 2]" 1
1026 1 55 GLN H 1 55 GLN HB2 . . 2.720 2.421 2.405 2.434 . 0 0 "[ . 1 . 2]" 1
1027 1 55 GLN H 1 55 GLN HB3 . . 3.670 3.604 3.593 3.614 . 0 0 "[ . 1 . 2]" 1
1028 1 55 GLN H 1 55 GLN HE21 . . 3.120 2.911 2.819 2.944 . 0 0 "[ . 1 . 2]" 1
1029 1 55 GLN H 1 55 GLN HE22 . . 4.760 4.517 4.448 4.544 . 0 0 "[ . 1 . 2]" 1
1030 1 55 GLN H 1 55 GLN QG . . 2.710 2.307 2.252 2.367 . 0 0 "[ . 1 . 2]" 1
1031 1 55 GLN H 1 56 LYS H . . 2.950 2.937 2.869 2.966 0.016 5 0 "[ . 1 . 2]" 1
1032 1 55 GLN HA 1 55 GLN QG . . 3.740 2.435 2.382 2.456 . 0 0 "[ . 1 . 2]" 1
1033 1 55 GLN HA 1 57 LYS H . . 4.900 4.270 4.196 4.342 . 0 0 "[ . 1 . 2]" 1
1034 1 55 GLN HA 1 58 HIS H . . 4.320 4.056 3.926 4.242 . 0 0 "[ . 1 . 2]" 1
1035 1 55 GLN HA 1 59 ILE H . . 4.180 3.818 3.685 4.016 . 0 0 "[ . 1 . 2]" 1
1036 1 55 GLN HA 1 59 ILE HB . . 3.920 2.223 2.133 2.305 . 0 0 "[ . 1 . 2]" 1
1037 1 55 GLN HA 1 59 ILE MD . . 4.150 2.769 2.642 2.957 . 0 0 "[ . 1 . 2]" 1
1038 1 55 GLN HA 1 59 ILE HG12 . . 4.440 4.260 4.171 4.410 . 0 0 "[ . 1 . 2]" 1
1039 1 55 GLN HA 1 59 ILE HG13 . . 3.800 2.761 2.642 2.934 . 0 0 "[ . 1 . 2]" 1
1040 1 55 GLN HA 1 59 ILE MG . . 4.140 3.569 3.480 3.739 . 0 0 "[ . 1 . 2]" 1
1041 1 55 GLN HB2 1 55 GLN HE22 . . 3.970 3.726 3.700 3.764 . 0 0 "[ . 1 . 2]" 1
1042 1 55 GLN HB2 1 56 LYS H . . 2.680 2.185 2.154 2.223 . 0 0 "[ . 1 . 2]" 1
1043 1 55 GLN HB2 1 57 LYS H . . 4.780 4.678 4.640 4.739 . 0 0 "[ . 1 . 2]" 1
1044 1 55 GLN HE21 1 56 LYS H . . 5.010 4.719 4.671 4.785 . 0 0 "[ . 1 . 2]" 1
1045 1 55 GLN HE22 1 55 GLN QG . . 3.280 3.298 3.286 3.305 0.025 5 0 "[ . 1 . 2]" 1
1046 1 55 GLN HE22 1 56 LYS H . . 5.500 5.676 5.652 5.712 0.212 18 0 "[ . 1 . 2]" 1
1047 1 55 GLN HE22 1 93 LYS HG3 . . 5.500 5.637 5.615 5.669 0.169 19 0 "[ . 1 . 2]" 1
1048 1 55 GLN QG 1 56 LYS H . . 4.340 4.068 4.047 4.083 . 0 0 "[ . 1 . 2]" 1
1049 1 55 GLN QG 1 57 LYS H . . 5.500 5.534 5.499 5.560 0.060 6 0 "[ . 1 . 2]" 1
1050 1 56 LYS H 1 56 LYS HB2 . . 2.770 2.641 2.511 2.746 . 0 0 "[ . 1 . 2]" 1
1051 1 56 LYS H 1 56 LYS QD . . 3.100 2.475 1.821 3.172 0.072 6 0 "[ . 1 . 2]" 1
1052 1 56 LYS H 1 56 LYS QE . . 4.670 3.939 2.811 4.663 . 0 0 "[ . 1 . 2]" 1
1053 1 56 LYS H 1 56 LYS QG . . 3.460 2.717 2.124 3.343 . 0 0 "[ . 1 . 2]" 1
1054 1 56 LYS H 1 57 LYS H . . 2.980 2.834 2.789 2.857 . 0 0 "[ . 1 . 2]" 1
1055 1 56 LYS H 1 57 LYS HA . . 5.500 5.475 5.414 5.512 0.012 7 0 "[ . 1 . 2]" 1
1056 1 56 LYS H 1 57 LYS QB . . 4.510 4.516 4.454 4.542 0.032 10 0 "[ . 1 . 2]" 1
1057 1 56 LYS H 1 59 ILE HB . . 5.250 5.012 4.936 5.128 . 0 0 "[ . 1 . 2]" 1
1058 1 56 LYS HA 1 56 LYS QD . . 4.040 3.067 2.117 4.065 0.025 6 0 "[ . 1 . 2]" 1
1059 1 56 LYS HA 1 56 LYS QG . . 3.740 2.620 2.266 3.126 . 0 0 "[ . 1 . 2]" 1
1060 1 56 LYS HA 1 59 ILE H . . 4.320 4.060 3.908 4.249 . 0 0 "[ . 1 . 2]" 1
1061 1 56 LYS HB2 1 56 LYS QE . . 5.010 4.026 2.117 4.519 . 0 0 "[ . 1 . 2]" 1
1062 1 56 LYS HB2 1 57 LYS H . . 3.500 3.121 2.992 3.245 . 0 0 "[ . 1 . 2]" 1
1063 1 56 LYS HB2 1 74 ASN QD . . 5.260 5.091 4.337 5.313 0.053 3 0 "[ . 1 . 2]" 1
1064 1 56 LYS HB3 1 57 LYS H . . 5.040 3.952 3.777 4.078 . 0 0 "[ . 1 . 2]" 1
1065 1 56 LYS HB3 1 74 ASN QD . . 4.360 3.724 3.118 3.998 . 0 0 "[ . 1 . 2]" 1
1066 1 56 LYS QD 1 57 LYS H . . 4.800 4.487 4.152 4.864 0.064 14 0 "[ . 1 . 2]" 1
1067 1 56 LYS QE 1 56 LYS QG . . 3.480 2.256 2.094 2.415 . 0 0 "[ . 1 . 2]" 1
1068 1 57 LYS H 1 57 LYS HB2 . . 3.420 2.267 2.091 2.401 . 0 0 "[ . 1 . 2]" 1
1069 1 57 LYS H 1 57 LYS QB . . 2.580 2.168 2.070 2.233 . 0 0 "[ . 1 . 2]" 1
1070 1 57 LYS H 1 57 LYS HB3 . . 3.420 2.922 2.563 3.457 0.037 14 0 "[ . 1 . 2]" 1
1071 1 57 LYS H 1 57 LYS QD . . 4.500 4.310 3.608 4.541 0.041 5 0 "[ . 1 . 2]" 1
1072 1 57 LYS H 1 57 LYS QG . . 4.260 3.801 2.975 4.099 . 0 0 "[ . 1 . 2]" 1
1073 1 57 LYS H 1 58 HIS H . . 3.280 2.954 2.855 3.044 . 0 0 "[ . 1 . 2]" 1
1074 1 57 LYS H 1 58 HIS HD2 . . 4.960 4.421 4.228 4.936 . 0 0 "[ . 1 . 2]" 1
1075 1 57 LYS H 1 59 ILE H . . 4.360 4.195 4.035 4.293 . 0 0 "[ . 1 . 2]" 1
1076 1 57 LYS HA 1 82 ASN HD22 . . 5.500 5.189 4.536 5.518 0.018 7 0 "[ . 1 . 2]" 1
1077 1 57 LYS QB 1 58 HIS H . . 3.190 2.550 2.316 2.703 . 0 0 "[ . 1 . 2]" 1
1078 1 57 LYS QB 1 58 HIS HD2 . . 3.510 2.388 2.177 3.256 . 0 0 "[ . 1 . 2]" 1
1079 1 57 LYS HB2 1 58 HIS H . . 3.930 3.576 2.950 3.950 0.020 18 0 "[ . 1 . 2]" 1
1080 1 57 LYS HB2 1 58 HIS HD2 . . 4.010 3.819 2.862 4.048 0.038 6 0 "[ . 1 . 2]" 1
1081 1 57 LYS HB3 1 58 HIS H . . 3.930 2.650 2.356 3.126 . 0 0 "[ . 1 . 2]" 1
1082 1 57 LYS HB3 1 58 HIS HD2 . . 4.010 2.436 2.189 3.440 . 0 0 "[ . 1 . 2]" 1
1083 1 57 LYS QD 1 58 HIS HD2 . . 5.170 4.112 2.362 5.260 0.090 16 0 "[ . 1 . 2]" 1
1084 1 57 LYS QG 1 58 HIS H . . 4.990 4.180 3.521 4.577 . 0 0 "[ . 1 . 2]" 1
1085 1 57 LYS QG 1 58 HIS QB . . 5.340 4.221 2.826 5.360 0.020 6 0 "[ . 1 . 2]" 1
1086 1 58 HIS H 1 58 HIS HB2 . . 4.030 3.859 2.928 4.022 . 0 0 "[ . 1 . 2]" 1
1087 1 58 HIS H 1 58 HIS QB . . 3.210 3.110 2.843 3.284 0.074 6 0 "[ . 1 . 2]" 1
1088 1 58 HIS H 1 58 HIS HB3 . . 4.030 3.357 3.203 3.879 . 0 0 "[ . 1 . 2]" 1
1089 1 58 HIS H 1 58 HIS HD2 . . 4.030 2.520 2.326 3.046 . 0 0 "[ . 1 . 2]" 1
1090 1 58 HIS H 1 58 HIS HE1 . . 5.500 5.611 5.403 5.648 0.148 12 0 "[ . 1 . 2]" 1
1091 1 58 HIS H 1 59 ILE H . . 2.780 2.294 2.227 2.422 . 0 0 "[ . 1 . 2]" 1
1092 1 58 HIS H 1 59 ILE HA . . 4.960 4.806 4.746 4.976 0.016 16 0 "[ . 1 . 2]" 1
1093 1 58 HIS H 1 59 ILE HB . . 4.460 4.244 4.121 4.456 . 0 0 "[ . 1 . 2]" 1
1094 1 58 HIS H 1 59 ILE HG13 . . 3.630 3.225 3.076 3.459 . 0 0 "[ . 1 . 2]" 1
1095 1 58 HIS HA 1 82 ASN HD22 . . 4.170 2.689 2.582 2.908 . 0 0 "[ . 1 . 2]" 1
1096 1 58 HIS QB 1 58 HIS HD2 . . 3.460 2.874 2.619 3.255 . 0 0 "[ . 1 . 2]" 1
1097 1 58 HIS QB 1 59 ILE H . . 4.190 4.026 3.626 4.101 . 0 0 "[ . 1 . 2]" 1
1098 1 58 HIS QB 1 82 ASN HD22 . . 4.190 2.902 2.567 3.816 . 0 0 "[ . 1 . 2]" 1
1099 1 58 HIS QB 1 84 PHE H . . 5.340 4.784 4.519 5.136 . 0 0 "[ . 1 . 2]" 1
1100 1 58 HIS QB 1 84 PHE QD . . 3.800 3.840 3.799 3.916 0.116 12 0 "[ . 1 . 2]" 1
1101 1 58 HIS HB2 1 59 ILE H . . 4.780 4.453 3.828 4.575 . 0 0 "[ . 1 . 2]" 1
1102 1 58 HIS HB3 1 59 ILE H . . 4.780 4.607 4.485 4.669 . 0 0 "[ . 1 . 2]" 1
1103 1 58 HIS HD2 1 59 ILE H . . 5.350 4.469 3.684 5.151 . 0 0 "[ . 1 . 2]" 1
1104 1 59 ILE H 1 59 ILE HB . . 2.960 2.874 2.779 2.933 . 0 0 "[ . 1 . 2]" 1
1105 1 59 ILE H 1 59 ILE HG12 . . 3.990 3.680 3.556 3.738 . 0 0 "[ . 1 . 2]" 1
1106 1 59 ILE H 1 59 ILE HG13 . . 3.300 3.026 2.879 3.110 . 0 0 "[ . 1 . 2]" 1
1107 1 59 ILE H 1 59 ILE MG . . 4.010 4.009 3.966 4.024 0.014 5 0 "[ . 1 . 2]" 1
1108 1 59 ILE H 1 82 ASN HD22 . . 5.500 5.615 5.549 5.660 0.160 5 0 "[ . 1 . 2]" 1
1109 1 59 ILE H 1 84 PHE QD . . 4.210 4.239 4.191 4.278 0.068 17 0 "[ . 1 . 2]" 1
1110 1 59 ILE H 1 85 ILE H . . 4.700 4.703 4.635 4.760 0.060 18 0 "[ . 1 . 2]" 1
1111 1 59 ILE HA 1 59 ILE MD . . 4.230 3.728 3.693 3.764 . 0 0 "[ . 1 . 2]" 1
1112 1 59 ILE HA 1 59 ILE HG12 . . 4.210 2.477 2.430 2.518 . 0 0 "[ . 1 . 2]" 1
1113 1 59 ILE HA 1 60 THR H . . 2.480 2.216 2.177 2.248 . 0 0 "[ . 1 . 2]" 1
1114 1 59 ILE HA 1 60 THR MG . . 4.500 3.689 3.616 3.803 . 0 0 "[ . 1 . 2]" 1
1115 1 59 ILE HA 1 85 ILE H . . 3.220 2.392 2.322 2.453 . 0 0 "[ . 1 . 2]" 1
1116 1 59 ILE HA 1 85 ILE HB . . 4.240 2.772 2.688 2.845 . 0 0 "[ . 1 . 2]" 1
1117 1 59 ILE HA 1 85 ILE QG . . 4.350 4.332 4.234 4.366 0.016 12 0 "[ . 1 . 2]" 1
1118 1 59 ILE HA 1 87 SER H . . 5.500 4.716 4.559 4.936 . 0 0 "[ . 1 . 2]" 1
1119 1 59 ILE HB 1 59 ILE MD . . 3.660 2.691 2.670 2.735 . 0 0 "[ . 1 . 2]" 1
1120 1 59 ILE HB 1 60 THR H . . 4.390 3.845 3.814 3.890 . 0 0 "[ . 1 . 2]" 1
1121 1 59 ILE MD 1 87 SER H . . 4.940 4.987 4.970 5.008 0.068 19 0 "[ . 1 . 2]" 1
1122 1 59 ILE HG12 1 60 THR H . . 4.420 4.372 4.332 4.411 . 0 0 "[ . 1 . 2]" 1
1123 1 59 ILE HG12 1 85 ILE H . . 4.780 3.250 3.166 3.405 . 0 0 "[ . 1 . 2]" 1
1124 1 59 ILE MG 1 60 THR H . . 2.750 2.224 2.179 2.272 . 0 0 "[ . 1 . 2]" 1
1125 1 59 ILE MG 1 85 ILE H . . 3.700 3.746 3.727 3.788 0.088 6 0 "[ . 1 . 2]" 1
1126 1 59 ILE MG 1 86 TYR HA . . 4.140 3.957 3.897 4.050 . 0 0 "[ . 1 . 2]" 1
1127 1 59 ILE MG 1 86 TYR QD . . 5.110 5.008 4.942 5.112 0.002 18 0 "[ . 1 . 2]" 1
1128 1 59 ILE MG 1 87 SER H . . 3.240 2.858 2.751 2.961 . 0 0 "[ . 1 . 2]" 1
1129 1 60 THR H 1 60 THR HB . . 3.610 3.422 3.373 3.469 . 0 0 "[ . 1 . 2]" 1
1130 1 60 THR H 1 60 THR MG . . 2.930 2.527 2.470 2.574 . 0 0 "[ . 1 . 2]" 1
1131 1 60 THR H 1 84 PHE HB3 . . 4.730 4.716 4.525 4.774 0.044 17 0 "[ . 1 . 2]" 1
1132 1 60 THR H 1 84 PHE QD . . 5.130 5.083 4.916 5.157 0.027 5 0 "[ . 1 . 2]" 1
1133 1 60 THR H 1 85 ILE H . . 3.920 3.815 3.669 3.895 . 0 0 "[ . 1 . 2]" 1
1134 1 60 THR H 1 85 ILE HA . . 5.340 5.158 5.101 5.207 . 0 0 "[ . 1 . 2]" 1
1135 1 60 THR H 1 85 ILE HB . . 4.310 3.984 3.949 4.003 . 0 0 "[ . 1 . 2]" 1
1136 1 60 THR H 1 85 ILE MD . . 5.500 5.586 5.562 5.599 0.099 15 0 "[ . 1 . 2]" 1
1137 1 60 THR H 1 86 TYR HA . . 3.640 3.170 3.118 3.223 . 0 0 "[ . 1 . 2]" 1
1138 1 60 THR H 1 86 TYR QD . . 5.430 4.661 4.606 4.741 . 0 0 "[ . 1 . 2]" 1
1139 1 60 THR H 1 87 SER H . . 4.270 3.272 3.094 3.408 . 0 0 "[ . 1 . 2]" 1
1140 1 60 THR HA 1 61 ASN H . . 2.480 2.250 2.225 2.287 . 0 0 "[ . 1 . 2]" 1
1141 1 60 THR HA 1 61 ASN QD . . 5.220 3.888 3.308 4.624 . 0 0 "[ . 1 . 2]" 1
1142 1 60 THR HA 1 62 THR H . . 4.030 3.692 3.647 3.748 . 0 0 "[ . 1 . 2]" 1
1143 1 60 THR HB 1 61 ASN H . . 3.890 3.826 3.792 3.889 . 0 0 "[ . 1 . 2]" 1
1144 1 60 THR HB 1 62 THR H . . 4.220 3.869 3.834 3.938 . 0 0 "[ . 1 . 2]" 1
1145 1 60 THR MG 1 61 ASN H . . 3.720 3.652 3.535 3.723 0.003 6 0 "[ . 1 . 2]" 1
1146 1 60 THR MG 1 62 THR H . . 3.190 2.501 2.405 2.590 . 0 0 "[ . 1 . 2]" 1
1147 1 60 THR MG 1 63 ARG H . . 3.440 3.276 3.095 3.439 . 0 0 "[ . 1 . 2]" 1
1148 1 60 THR MG 1 63 ARG HA . . 4.420 2.303 2.196 2.404 . 0 0 "[ . 1 . 2]" 1
1149 1 60 THR MG 1 64 ASP H . . 4.770 3.439 3.266 3.615 . 0 0 "[ . 1 . 2]" 1
1150 1 60 THR MG 1 84 PHE HB3 . . 3.800 3.018 2.904 3.133 . 0 0 "[ . 1 . 2]" 1
1151 1 60 THR MG 1 86 TYR HA . . 4.290 2.763 2.622 3.001 . 0 0 "[ . 1 . 2]" 1
1152 1 60 THR MG 1 86 TYR HB2 . . 4.840 3.113 2.849 3.322 . 0 0 "[ . 1 . 2]" 1
1153 1 61 ASN H 1 61 ASN HB2 . . 3.500 2.861 2.314 3.607 0.107 4 0 "[ . 1 . 2]" 1
1154 1 61 ASN H 1 61 ASN QB . . 3.040 2.477 2.286 2.710 . 0 0 "[ . 1 . 2]" 1
1155 1 61 ASN H 1 61 ASN HB3 . . 3.500 3.260 2.688 3.617 0.117 19 0 "[ . 1 . 2]" 1
1156 1 61 ASN H 1 61 ASN HD21 . . 4.940 2.895 2.430 3.795 . 0 0 "[ . 1 . 2]" 1
1157 1 61 ASN H 1 61 ASN QD . . 4.090 2.807 2.374 3.566 . 0 0 "[ . 1 . 2]" 1
1158 1 61 ASN H 1 61 ASN HD22 . . 4.940 3.867 3.259 4.344 . 0 0 "[ . 1 . 2]" 1
1159 1 61 ASN H 1 62 THR H . . 2.890 2.371 2.302 2.419 . 0 0 "[ . 1 . 2]" 1
1160 1 61 ASN H 1 62 THR HA . . 5.190 5.072 4.996 5.118 . 0 0 "[ . 1 . 2]" 1
1161 1 61 ASN H 1 62 THR HB . . 5.380 5.158 5.090 5.215 . 0 0 "[ . 1 . 2]" 1
1162 1 61 ASN H 1 62 THR MG . . 3.580 3.604 3.586 3.634 0.054 16 0 "[ . 1 . 2]" 1
1163 1 61 ASN HA 1 61 ASN QD . . 4.420 3.713 2.162 4.109 . 0 0 "[ . 1 . 2]" 1
1164 1 61 ASN HA 1 62 THR H . . 3.370 3.318 3.276 3.361 . 0 0 "[ . 1 . 2]" 1
1165 1 61 ASN HA 1 86 TYR QD . . 3.650 2.976 2.680 3.369 . 0 0 "[ . 1 . 2]" 1
1166 1 61 ASN HA 1 86 TYR QE . . 3.670 3.160 2.796 3.658 . 0 0 "[ . 1 . 2]" 1
1167 1 61 ASN QB 1 61 ASN QD . . 2.890 2.301 2.188 2.770 . 0 0 "[ . 1 . 2]" 1
1168 1 61 ASN QB 1 62 THR MG . . 4.570 3.686 3.232 4.151 . 0 0 "[ . 1 . 2]" 1
1169 1 61 ASN QB 1 86 TYR QE . . 5.040 4.170 3.882 4.555 . 0 0 "[ . 1 . 2]" 1
1170 1 61 ASN HB2 1 61 ASN HD22 . . 4.090 3.802 3.537 4.088 . 0 0 "[ . 1 . 2]" 1
1171 1 61 ASN HB2 1 62 THR H . . 4.510 3.931 3.571 4.363 . 0 0 "[ . 1 . 2]" 1
1172 1 61 ASN HB3 1 61 ASN HD22 . . 4.090 3.799 3.538 4.095 0.005 11 0 "[ . 1 . 2]" 1
1173 1 61 ASN HB3 1 62 THR H . . 4.510 4.336 4.177 4.452 . 0 0 "[ . 1 . 2]" 1
1174 1 62 THR H 1 62 THR HB . . 3.830 3.574 3.535 3.620 . 0 0 "[ . 1 . 2]" 1
1175 1 62 THR H 1 62 THR MG . . 2.850 2.680 2.624 2.740 . 0 0 "[ . 1 . 2]" 1
1176 1 62 THR H 1 86 TYR HA . . 5.230 4.683 4.555 4.775 . 0 0 "[ . 1 . 2]" 1
1177 1 62 THR H 1 86 TYR HB2 . . 5.500 5.391 5.093 5.508 0.008 12 0 "[ . 1 . 2]" 1
1178 1 62 THR H 1 86 TYR QD . . 3.960 3.898 3.763 3.974 0.014 20 0 "[ . 1 . 2]" 1
1179 1 62 THR H 1 86 TYR QE . . 4.360 4.381 4.362 4.405 0.045 4 0 "[ . 1 . 2]" 1
1180 1 62 THR HA 1 63 ARG H . . 2.720 2.197 2.174 2.231 . 0 0 "[ . 1 . 2]" 1
1181 1 62 THR HA 1 63 ARG HB3 . . 4.820 4.724 4.630 4.817 . 0 0 "[ . 1 . 2]" 1
1182 1 62 THR HA 1 86 TYR QD . . 4.300 3.831 3.490 4.052 . 0 0 "[ . 1 . 2]" 1
1183 1 62 THR HA 1 86 TYR QE . . 3.660 3.255 2.838 3.512 . 0 0 "[ . 1 . 2]" 1
1184 1 62 THR HB 1 63 ARG H . . 4.740 4.387 4.355 4.452 . 0 0 "[ . 1 . 2]" 1
1185 1 62 THR MG 1 63 ARG H . . 4.350 4.341 4.235 4.396 0.046 20 0 "[ . 1 . 2]" 1
1186 1 63 ARG H 1 63 ARG HB2 . . 3.360 2.665 2.605 2.767 . 0 0 "[ . 1 . 2]" 1
1187 1 63 ARG H 1 63 ARG HB3 . . 2.830 2.579 2.505 2.633 . 0 0 "[ . 1 . 2]" 1
1188 1 63 ARG H 1 63 ARG QD . . 4.750 4.789 4.763 4.817 0.067 5 0 "[ . 1 . 2]" 1
1189 1 63 ARG H 1 64 ASP QB . . 5.340 5.121 5.001 5.245 . 0 0 "[ . 1 . 2]" 1
1190 1 63 ARG H 1 86 TYR QD . . 4.370 3.676 3.463 3.956 . 0 0 "[ . 1 . 2]" 1
1191 1 63 ARG H 1 86 TYR QE . . 4.810 3.943 3.677 4.231 . 0 0 "[ . 1 . 2]" 1
1192 1 63 ARG HA 1 63 ARG QD . . 4.330 4.046 3.988 4.147 . 0 0 "[ . 1 . 2]" 1
1193 1 63 ARG HA 1 65 VAL H . . 4.950 3.291 3.141 3.375 . 0 0 "[ . 1 . 2]" 1
1194 1 63 ARG HB2 1 64 ASP H . . 4.860 4.471 4.402 4.507 . 0 0 "[ . 1 . 2]" 1
1195 1 63 ARG HB2 1 114 SER HB2 . . 4.270 4.326 4.286 4.401 0.131 4 0 "[ . 1 . 2]" 1
1196 1 63 ARG HB2 1 114 SER HG . . 4.530 4.581 4.536 4.614 0.084 15 0 "[ . 1 . 2]" 1
1197 1 63 ARG HB3 1 64 ASP H . . 5.290 4.424 4.375 4.466 . 0 0 "[ . 1 . 2]" 1
1198 1 63 ARG QD 1 84 PHE QD . . 4.480 4.604 4.575 4.631 0.151 6 0 "[ . 1 . 2]" 1
1199 1 63 ARG QD 1 114 SER HG . . 4.510 2.032 1.956 2.087 . 0 0 "[ . 1 . 2]" 1
1200 1 63 ARG HG2 1 64 ASP H . . 5.310 3.509 3.208 3.735 . 0 0 "[ . 1 . 2]" 1
1201 1 63 ARG HG2 1 64 ASP HA . . 4.070 4.043 3.835 4.115 0.045 10 0 "[ . 1 . 2]" 1
1202 1 63 ARG HG2 1 65 VAL H . . 2.980 2.594 2.157 2.976 . 0 0 "[ . 1 . 2]" 1
1203 1 63 ARG HG2 1 114 SER HG . . 3.890 3.715 3.518 3.916 0.026 1 0 "[ . 1 . 2]" 1
1204 1 63 ARG HG3 1 64 ASP H . . 4.130 3.873 3.647 4.143 0.013 5 0 "[ . 1 . 2]" 1
1205 1 63 ARG HG3 1 65 VAL H . . 3.480 3.256 2.816 3.509 0.029 5 0 "[ . 1 . 2]" 1
1206 1 63 ARG HG3 1 84 PHE QD . . 4.670 4.476 4.161 4.681 0.011 1 0 "[ . 1 . 2]" 1
1207 1 63 ARG HG3 1 114 SER HB2 . . 4.190 3.721 3.499 4.029 . 0 0 "[ . 1 . 2]" 1
1208 1 63 ARG HG3 1 114 SER HB3 . . 4.170 3.578 3.310 3.870 . 0 0 "[ . 1 . 2]" 1
1209 1 63 ARG HG3 1 114 SER HG . . 3.470 2.721 2.573 2.930 . 0 0 "[ . 1 . 2]" 1
1210 1 64 ASP H 1 64 ASP HB2 . . 3.330 2.789 2.542 2.949 . 0 0 "[ . 1 . 2]" 1
1211 1 64 ASP H 1 64 ASP QB . . 2.810 2.399 2.355 2.498 . 0 0 "[ . 1 . 2]" 1
1212 1 64 ASP H 1 64 ASP HB3 . . 3.330 2.626 2.574 2.967 . 0 0 "[ . 1 . 2]" 1
1213 1 64 ASP H 1 65 VAL H . . 3.920 2.360 2.206 2.438 . 0 0 "[ . 1 . 2]" 1
1214 1 64 ASP H 1 65 VAL HA . . 5.100 4.700 4.458 4.807 . 0 0 "[ . 1 . 2]" 1
1215 1 64 ASP H 1 65 VAL QG . . 4.400 3.342 2.817 3.662 . 0 0 "[ . 1 . 2]" 1
1216 1 64 ASP HA 1 65 VAL H . . 3.140 3.198 3.168 3.214 0.074 16 0 "[ . 1 . 2]" 1
1217 1 64 ASP QB 1 65 VAL H . . 3.960 3.567 3.508 3.637 . 0 0 "[ . 1 . 2]" 1
1218 1 64 ASP HB2 1 65 VAL H . . 4.680 4.408 4.237 4.464 . 0 0 "[ . 1 . 2]" 1
1219 1 64 ASP HB3 1 65 VAL H . . 4.680 3.769 3.693 3.853 . 0 0 "[ . 1 . 2]" 1
1220 1 65 VAL H 1 65 VAL HB . . 2.810 2.611 2.351 2.805 . 0 0 "[ . 1 . 2]" 1
1221 1 65 VAL H 1 65 VAL MG1 . . 3.810 2.710 1.954 3.816 0.006 20 0 "[ . 1 . 2]" 1
1222 1 65 VAL H 1 65 VAL QG . . 2.520 2.131 1.948 2.416 . 0 0 "[ . 1 . 2]" 1
1223 1 65 VAL H 1 65 VAL MG2 . . 3.810 3.231 2.245 3.816 0.006 16 0 "[ . 1 . 2]" 1
1224 1 65 VAL H 1 66 ASP H . . 4.740 4.602 4.559 4.636 . 0 0 "[ . 1 . 2]" 1
1225 1 65 VAL H 1 114 SER HG . . 4.780 4.868 4.819 4.915 0.135 12 0 "[ . 1 . 2]" 1
1226 1 65 VAL HA 1 65 VAL MG1 . . 3.290 2.927 2.319 3.271 . 0 0 "[ . 1 . 2]" 1
1227 1 65 VAL HA 1 65 VAL MG2 . . 3.290 2.355 2.292 2.421 . 0 0 "[ . 1 . 2]" 1
1228 1 65 VAL HA 1 66 ASP H . . 2.400 2.152 2.106 2.200 . 0 0 "[ . 1 . 2]" 1
1229 1 65 VAL HA 1 67 CYS H . . 4.360 3.637 3.549 3.827 . 0 0 "[ . 1 . 2]" 1
1230 1 65 VAL HA 1 70 ILE MG . . 4.770 3.336 3.057 3.693 . 0 0 "[ . 1 . 2]" 1
1231 1 65 VAL HB 1 66 ASP H . . 4.240 4.033 3.937 4.204 . 0 0 "[ . 1 . 2]" 1
1232 1 65 VAL HB 1 67 CYS H . . 4.720 4.335 4.194 4.497 . 0 0 "[ . 1 . 2]" 1
1233 1 65 VAL HB 1 114 SER HG . . 4.960 4.381 3.254 4.981 0.021 15 0 "[ . 1 . 2]" 1
1234 1 65 VAL QG 1 66 ASP H . . 2.900 2.339 2.205 2.561 . 0 0 "[ . 1 . 2]" 1
1235 1 65 VAL QG 1 67 CYS H . . 3.100 1.845 1.744 2.010 . 0 0 "[ . 1 . 2]" 1
1236 1 65 VAL QG 1 67 CYS QB . . 4.860 3.697 3.550 3.947 . 0 0 "[ . 1 . 2]" 1
1237 1 65 VAL QG 1 70 ILE H . . 4.400 4.138 3.930 4.333 . 0 0 "[ . 1 . 2]" 1
1238 1 65 VAL QG 1 70 ILE MD . . 4.270 3.225 3.085 3.397 . 0 0 "[ . 1 . 2]" 1
1239 1 65 VAL QG 1 82 ASN HD21 . . 4.870 4.717 4.330 5.446 0.576 13 1 "[ . 1 + . 2]" 1
1240 1 65 VAL QG 1 84 PHE H . . 5.440 5.108 4.820 5.633 0.193 20 0 "[ . 1 . 2]" 1
1241 1 65 VAL QG 1 84 PHE HB2 . . 4.760 3.876 3.427 4.555 . 0 0 "[ . 1 . 2]" 1
1242 1 65 VAL QG 1 84 PHE HB3 . . 4.330 4.118 3.851 4.552 0.222 12 0 "[ . 1 . 2]" 1
1243 1 65 VAL QG 1 84 PHE QD . . 4.100 2.659 2.302 3.272 . 0 0 "[ . 1 . 2]" 1
1244 1 65 VAL QG 1 84 PHE QE . . 3.530 2.087 2.035 2.153 . 0 0 "[ . 1 . 2]" 1
1245 1 65 VAL QG 1 84 PHE HZ . . 4.160 2.976 2.510 3.351 . 0 0 "[ . 1 . 2]" 1
1246 1 65 VAL QG 1 114 SER HB3 . . 4.660 4.245 3.668 5.251 0.591 20 2 "[ - 1 . +]" 1
1247 1 65 VAL QG 1 114 SER HG . . 3.820 2.942 2.260 4.125 0.305 20 0 "[ . 1 . 2]" 1
1248 1 65 VAL MG1 1 66 ASP H . . 4.040 3.340 2.269 4.048 0.008 19 0 "[ . 1 . 2]" 1
1249 1 65 VAL MG1 1 67 CYS H . . 4.480 3.086 1.833 4.004 . 0 0 "[ . 1 . 2]" 1
1250 1 65 VAL MG1 1 84 PHE QE . . 4.520 2.562 2.098 3.012 . 0 0 "[ . 1 . 2]" 1
1251 1 65 VAL MG1 1 84 PHE HZ . . 5.170 3.818 2.685 4.407 . 0 0 "[ . 1 . 2]" 1
1252 1 65 VAL MG2 1 66 ASP H . . 4.040 2.920 2.220 3.890 . 0 0 "[ . 1 . 2]" 1
1253 1 65 VAL MG2 1 67 CYS H . . 4.480 2.789 1.747 4.477 . 0 0 "[ . 1 . 2]" 1
1254 1 65 VAL MG2 1 84 PHE QE . . 4.520 2.455 2.096 3.106 . 0 0 "[ . 1 . 2]" 1
1255 1 65 VAL MG2 1 84 PHE HZ . . 5.170 3.143 2.899 3.478 . 0 0 "[ . 1 . 2]" 1
1256 1 66 ASP H 1 66 ASP HB2 . . 3.050 2.980 2.889 3.055 0.005 15 0 "[ . 1 . 2]" 1
1257 1 66 ASP H 1 66 ASP HB3 . . 3.150 2.755 2.689 2.823 . 0 0 "[ . 1 . 2]" 1
1258 1 66 ASP H 1 67 CYS H . . 3.830 2.117 2.021 2.190 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ASP H 1 69 ASN H . . 4.970 3.667 3.357 3.985 . 0 0 "[ . 1 . 2]" 1
1260 1 66 ASP H 1 69 ASN HD22 . . 5.500 3.148 2.404 5.435 . 0 0 "[ . 1 . 2]" 1
1261 1 66 ASP H 1 70 ILE MD . . 5.100 5.109 5.063 5.143 0.043 5 0 "[ . 1 . 2]" 1
1262 1 66 ASP HB2 1 67 CYS H . . 4.410 4.405 4.374 4.430 0.020 3 0 "[ . 1 . 2]" 1
1263 1 66 ASP HB2 1 69 ASN HD22 . . 4.230 3.383 2.956 4.251 0.021 1 0 "[ . 1 . 2]" 1
1264 1 66 ASP HB3 1 67 CYS H . . 4.020 3.798 3.696 3.903 . 0 0 "[ . 1 . 2]" 1
1265 1 66 ASP HB3 1 68 ASP H . . 4.800 3.559 3.295 3.810 . 0 0 "[ . 1 . 2]" 1
1266 1 66 ASP HB3 1 69 ASN H . . 3.790 3.373 3.097 3.577 . 0 0 "[ . 1 . 2]" 1
1267 1 66 ASP HB3 1 69 ASN HD21 . . 4.150 2.759 1.876 4.188 0.038 13 0 "[ . 1 . 2]" 1
1268 1 66 ASP HB3 1 69 ASN HD22 . . 3.960 2.959 2.538 3.217 . 0 0 "[ . 1 . 2]" 1
1269 1 66 ASP HB3 1 70 ILE H . . 5.500 5.433 5.172 5.532 0.032 8 0 "[ . 1 . 2]" 1
1270 1 67 CYS H 1 67 CYS HA . . 2.430 2.262 2.251 2.274 . 0 0 "[ . 1 . 2]" 1
1271 1 67 CYS H 1 67 CYS QB . . 3.410 3.279 3.154 3.337 . 0 0 "[ . 1 . 2]" 1
1272 1 67 CYS H 1 68 ASP H . . 3.180 2.907 2.809 3.000 . 0 0 "[ . 1 . 2]" 1
1273 1 67 CYS H 1 68 ASP QB . . 4.940 4.691 4.133 4.858 . 0 0 "[ . 1 . 2]" 1
1274 1 67 CYS H 1 69 ASN H . . 4.520 4.074 3.947 4.218 . 0 0 "[ . 1 . 2]" 1
1275 1 67 CYS H 1 70 ILE MD . . 4.340 3.861 3.677 3.963 . 0 0 "[ . 1 . 2]" 1
1276 1 67 CYS H 1 70 ILE MG . . 4.930 2.946 2.734 3.155 . 0 0 "[ . 1 . 2]" 1
1277 1 67 CYS HA 1 68 ASP H . . 3.360 2.600 2.318 2.787 . 0 0 "[ . 1 . 2]" 1
1278 1 67 CYS HA 1 70 ILE HG12 . . 4.740 3.670 3.318 3.884 . 0 0 "[ . 1 . 2]" 1
1279 1 67 CYS HA 1 70 ILE MG . . 5.150 2.693 2.498 2.937 . 0 0 "[ . 1 . 2]" 1
1280 1 67 CYS QB 1 68 ASP H . . 4.390 3.905 3.860 3.927 . 0 0 "[ . 1 . 2]" 1
1281 1 67 CYS HB2 1 68 ASP H . . 5.250 4.336 4.210 4.473 . 0 0 "[ . 1 . 2]" 1
1282 1 67 CYS HB3 1 68 ASP H . . 5.250 4.438 4.318 4.485 . 0 0 "[ . 1 . 2]" 1
1283 1 68 ASP H 1 68 ASP HA . . 2.920 2.917 2.810 2.953 0.033 3 0 "[ . 1 . 2]" 1
1284 1 68 ASP H 1 68 ASP HB2 . . 3.870 3.037 2.740 3.367 . 0 0 "[ . 1 . 2]" 1
1285 1 68 ASP H 1 68 ASP QB . . 3.080 2.780 2.603 3.004 . 0 0 "[ . 1 . 2]" 1
1286 1 68 ASP H 1 68 ASP HB3 . . 3.870 3.468 2.709 3.865 . 0 0 "[ . 1 . 2]" 1
1287 1 68 ASP H 1 69 ASN H . . 2.980 1.825 1.775 1.959 . 0 0 "[ . 1 . 2]" 1
1288 1 68 ASP H 1 69 ASN HD22 . . 5.500 4.516 4.246 5.055 . 0 0 "[ . 1 . 2]" 1
1289 1 68 ASP H 1 70 ILE H . . 4.220 2.799 2.599 3.083 . 0 0 "[ . 1 . 2]" 1
1290 1 68 ASP H 1 70 ILE MG . . 3.710 2.931 2.638 3.254 . 0 0 "[ . 1 . 2]" 1
1291 1 68 ASP HA 1 70 ILE H . . 4.740 4.199 4.060 4.507 . 0 0 "[ . 1 . 2]" 1
1292 1 68 ASP QB 1 69 ASN H . . 3.400 2.909 2.439 3.179 . 0 0 "[ . 1 . 2]" 1
1293 1 68 ASP QB 1 69 ASN HD21 . . 5.300 3.919 2.547 5.359 0.059 2 0 "[ . 1 . 2]" 1
1294 1 68 ASP HB2 1 69 ASN H . . 4.190 3.511 3.063 4.091 . 0 0 "[ . 1 . 2]" 1
1295 1 68 ASP HB3 1 69 ASN H . . 4.190 3.274 2.470 3.780 . 0 0 "[ . 1 . 2]" 1
1296 1 69 ASN H 1 69 ASN QB . . 2.850 2.759 2.430 2.894 0.044 13 0 "[ . 1 . 2]" 1
1297 1 69 ASN H 1 69 ASN HD21 . . 4.100 2.668 2.490 2.998 . 0 0 "[ . 1 . 2]" 1
1298 1 69 ASN H 1 69 ASN HD22 . . 3.700 3.497 3.255 3.790 0.090 10 0 "[ . 1 . 2]" 1
1299 1 69 ASN H 1 70 ILE H . . 2.650 2.365 2.276 2.442 . 0 0 "[ . 1 . 2]" 1
1300 1 69 ASN H 1 70 ILE HA . . 4.800 4.773 4.644 4.832 0.032 3 0 "[ . 1 . 2]" 1
1301 1 69 ASN H 1 70 ILE MD . . 4.850 4.741 4.603 4.856 0.006 11 0 "[ . 1 . 2]" 1
1302 1 69 ASN H 1 70 ILE HG12 . . 4.810 4.168 4.003 4.310 . 0 0 "[ . 1 . 2]" 1
1303 1 69 ASN H 1 70 ILE MG . . 3.280 3.281 3.172 3.305 0.025 3 0 "[ . 1 . 2]" 1
1304 1 69 ASN H 1 71 MET H . . 4.400 4.514 4.453 4.574 0.174 4 0 "[ . 1 . 2]" 1
1305 1 69 ASN HA 1 69 ASN HD21 . . 3.990 4.025 3.837 4.111 0.121 11 0 "[ . 1 . 2]" 1
1306 1 69 ASN HA 1 69 ASN HD22 . . 5.060 4.976 4.371 5.164 0.104 11 0 "[ . 1 . 2]" 1
1307 1 69 ASN HA 1 70 ILE H . . 3.530 3.337 3.251 3.411 . 0 0 "[ . 1 . 2]" 1
1308 1 69 ASN HA 1 71 MET H . . 4.470 3.348 3.132 3.461 . 0 0 "[ . 1 . 2]" 1
1309 1 69 ASN QB 1 69 ASN HD21 . . 3.020 2.355 2.137 2.849 . 0 0 "[ . 1 . 2]" 1
1310 1 69 ASN QB 1 69 ASN HD22 . . 3.420 3.331 3.255 3.444 0.024 17 0 "[ . 1 . 2]" 1
1311 1 69 ASN QB 1 70 ILE H . . 3.890 3.835 3.408 3.975 0.085 13 0 "[ . 1 . 2]" 1
1312 1 69 ASN QB 1 71 MET H . . 4.610 4.576 4.484 4.631 0.021 12 0 "[ . 1 . 2]" 1
1313 1 69 ASN QB 1 72 SER H . . 5.040 4.314 4.178 4.550 . 0 0 "[ . 1 . 2]" 1
1314 1 69 ASN HD21 1 70 ILE MG . . 5.260 4.358 2.821 5.020 . 0 0 "[ . 1 . 2]" 1
1315 1 70 ILE H 1 70 ILE HB . . 3.610 3.611 3.596 3.623 0.013 19 0 "[ . 1 . 2]" 1
1316 1 70 ILE H 1 70 ILE MD . . 3.350 3.433 3.400 3.466 0.116 18 0 "[ . 1 . 2]" 1
1317 1 70 ILE H 1 70 ILE HG12 . . 3.500 2.214 2.096 2.273 . 0 0 "[ . 1 . 2]" 1
1318 1 70 ILE H 1 70 ILE HG13 . . 4.140 3.583 3.469 3.660 . 0 0 "[ . 1 . 2]" 1
1319 1 70 ILE H 1 70 ILE MG . . 4.610 2.089 2.026 2.127 . 0 0 "[ . 1 . 2]" 1
1320 1 70 ILE H 1 71 MET H . . 2.960 2.760 2.694 2.822 . 0 0 "[ . 1 . 2]" 1
1321 1 70 ILE H 1 72 SER H . . 4.740 4.503 4.365 4.741 0.001 7 0 "[ . 1 . 2]" 1
1322 1 70 ILE HA 1 70 ILE MD . . 4.560 4.198 4.182 4.212 . 0 0 "[ . 1 . 2]" 1
1323 1 70 ILE HA 1 70 ILE HG13 . . 3.940 3.827 3.796 3.857 . 0 0 "[ . 1 . 2]" 1
1324 1 70 ILE HA 1 72 SER H . . 4.380 3.413 3.164 3.598 . 0 0 "[ . 1 . 2]" 1
1325 1 70 ILE HA 1 73 THR H . . 4.210 3.040 2.648 3.479 . 0 0 "[ . 1 . 2]" 1
1326 1 70 ILE HA 1 73 THR MG . . 3.500 2.292 2.127 2.654 . 0 0 "[ . 1 . 2]" 1
1327 1 70 ILE HB 1 71 MET H . . 4.410 4.206 4.117 4.257 . 0 0 "[ . 1 . 2]" 1
1328 1 70 ILE HB 1 75 LEU H . . 4.470 4.009 3.821 4.134 . 0 0 "[ . 1 . 2]" 1
1329 1 70 ILE HB 1 76 PHE H . . 5.500 4.724 4.529 4.871 . 0 0 "[ . 1 . 2]" 1
1330 1 70 ILE HB 1 79 LYS QZ . . 4.270 3.802 3.600 3.967 . 0 0 "[ . 1 . 2]" 1
1331 1 70 ILE MD 1 71 MET H . . 4.750 4.521 4.431 4.645 . 0 0 "[ . 1 . 2]" 1
1332 1 70 ILE MD 1 75 LEU H . . 5.500 5.431 5.237 5.515 0.015 12 0 "[ . 1 . 2]" 1
1333 1 70 ILE MD 1 79 LYS H . . 5.150 5.107 4.867 5.191 0.041 3 0 "[ . 1 . 2]" 1
1334 1 70 ILE MD 1 79 LYS QZ . . 3.620 2.094 1.865 2.394 . 0 0 "[ . 1 . 2]" 1
1335 1 70 ILE MD 1 82 ASN HD21 . . 5.230 5.231 5.111 5.269 0.039 15 0 "[ . 1 . 2]" 1
1336 1 70 ILE MD 1 84 PHE QE . . 4.590 4.116 3.856 4.399 . 0 0 "[ . 1 . 2]" 1
1337 1 70 ILE MD 1 84 PHE HZ . . 4.390 3.971 3.710 4.182 . 0 0 "[ . 1 . 2]" 1
1338 1 70 ILE HG12 1 71 MET H . . 4.790 3.035 2.932 3.202 . 0 0 "[ . 1 . 2]" 1
1339 1 70 ILE HG13 1 79 LYS QE . . 4.990 5.032 4.994 5.056 0.066 8 0 "[ . 1 . 2]" 1
1340 1 70 ILE HG13 1 79 LYS QZ . . 3.700 3.650 3.499 3.733 0.033 20 0 "[ . 1 . 2]" 1
1341 1 70 ILE MG 1 71 MET H . . 4.070 4.113 4.091 4.137 0.067 1 0 "[ . 1 . 2]" 1
1342 1 70 ILE MG 1 79 LYS QZ . . 4.290 3.808 3.552 4.054 . 0 0 "[ . 1 . 2]" 1
1343 1 70 ILE MG 1 84 PHE HZ . . 4.790 3.247 2.984 3.470 . 0 0 "[ . 1 . 2]" 1
1344 1 71 MET H 1 71 MET QB . . 3.480 2.359 2.188 2.621 . 0 0 "[ . 1 . 2]" 1
1345 1 71 MET H 1 72 SER H . . 3.170 2.756 2.677 2.876 . 0 0 "[ . 1 . 2]" 1
1346 1 71 MET H 1 72 SER HA . . 5.500 5.452 5.392 5.522 0.022 19 0 "[ . 1 . 2]" 1
1347 1 71 MET H 1 73 THR H . . 4.540 4.185 4.112 4.270 . 0 0 "[ . 1 . 2]" 1
1348 1 71 MET H 1 76 PHE QB . . 4.740 4.496 4.400 4.641 . 0 0 "[ . 1 . 2]" 1
1349 1 71 MET HA 1 73 THR H . . 4.790 4.003 3.685 4.354 . 0 0 "[ . 1 . 2]" 1
1350 1 71 MET HA 1 76 PHE H . . 4.930 4.545 4.292 4.750 . 0 0 "[ . 1 . 2]" 1
1351 1 71 MET HA 1 76 PHE QB . . 3.900 2.176 2.079 2.330 . 0 0 "[ . 1 . 2]" 1
1352 1 71 MET HA 1 76 PHE QD . . 4.490 4.293 4.179 4.452 . 0 0 "[ . 1 . 2]" 1
1353 1 72 SER H 1 72 SER QB . . 2.840 2.366 2.215 2.713 . 0 0 "[ . 1 . 2]" 1
1354 1 72 SER H 1 73 THR H . . 3.020 2.533 2.302 2.765 . 0 0 "[ . 1 . 2]" 1
1355 1 72 SER H 1 73 THR MG . . 3.980 3.566 3.360 3.844 . 0 0 "[ . 1 . 2]" 1
1356 1 72 SER H 1 76 PHE QB . . 4.550 4.402 4.214 4.560 0.010 17 0 "[ . 1 . 2]" 1
1357 1 72 SER QB 1 73 THR H . . 4.260 3.433 2.954 3.911 . 0 0 "[ . 1 . 2]" 1
1358 1 72 SER HB2 1 73 THR H . . 5.080 4.183 3.477 4.395 . 0 0 "[ . 1 . 2]" 1
1359 1 72 SER HB3 1 73 THR H . . 5.080 3.746 3.031 4.429 . 0 0 "[ . 1 . 2]" 1
1360 1 73 THR H 1 73 THR MG . . 2.920 2.562 2.350 2.705 . 0 0 "[ . 1 . 2]" 1
1361 1 73 THR H 1 74 ASN H . . 4.630 4.506 4.453 4.589 . 0 0 "[ . 1 . 2]" 1
1362 1 73 THR H 1 76 PHE QB . . 3.990 3.500 3.249 3.995 0.005 1 0 "[ . 1 . 2]" 1
1363 1 73 THR HA 1 73 THR MG . . 3.430 2.514 2.446 2.561 . 0 0 "[ . 1 . 2]" 1
1364 1 73 THR HA 1 75 LEU H . . 5.220 4.225 4.168 4.294 . 0 0 "[ . 1 . 2]" 1
1365 1 73 THR HB 1 74 ASN H . . 2.600 2.099 2.049 2.166 . 0 0 "[ . 1 . 2]" 1
1366 1 73 THR HB 1 74 ASN QB . . 4.370 4.116 3.945 4.402 0.032 18 0 "[ . 1 . 2]" 1
1367 1 73 THR HB 1 74 ASN QD . . 3.690 3.711 3.632 3.733 0.043 15 0 "[ . 1 . 2]" 1
1368 1 73 THR HB 1 75 LEU H . . 3.290 3.079 2.943 3.292 0.002 20 0 "[ . 1 . 2]" 1
1369 1 73 THR MG 1 74 ASN H . . 4.350 3.733 3.698 3.768 . 0 0 "[ . 1 . 2]" 1
1370 1 73 THR MG 1 74 ASN QD . . 5.340 4.806 4.748 4.843 . 0 0 "[ . 1 . 2]" 1
1371 1 73 THR MG 1 75 LEU H . . 4.790 4.093 3.960 4.300 . 0 0 "[ . 1 . 2]" 1
1372 1 74 ASN H 1 74 ASN QB . . 3.370 2.506 2.382 2.577 . 0 0 "[ . 1 . 2]" 1
1373 1 74 ASN H 1 74 ASN QD . . 4.230 2.589 2.522 2.680 . 0 0 "[ . 1 . 2]" 1
1374 1 74 ASN H 1 75 LEU H . . 3.600 2.707 2.653 2.752 . 0 0 "[ . 1 . 2]" 1
1375 1 74 ASN HA 1 75 LEU H . . 3.410 3.437 3.361 3.470 0.060 5 0 "[ . 1 . 2]" 1
1376 1 74 ASN HA 1 75 LEU QD . . 4.420 3.970 3.759 4.154 . 0 0 "[ . 1 . 2]" 1
1377 1 74 ASN HA 1 76 PHE H . . 4.310 3.748 3.514 3.985 . 0 0 "[ . 1 . 2]" 1
1378 1 74 ASN QB 1 74 ASN HD22 . . 3.710 3.301 3.282 3.317 . 0 0 "[ . 1 . 2]" 1
1379 1 74 ASN QB 1 75 LEU H . . 3.730 3.289 3.057 3.837 0.107 11 0 "[ . 1 . 2]" 1
1380 1 74 ASN QB 1 75 LEU MD1 . . 4.680 3.236 2.414 4.281 . 0 0 "[ . 1 . 2]" 1
1381 1 74 ASN QB 1 75 LEU MD2 . . 4.680 2.654 2.176 3.785 . 0 0 "[ . 1 . 2]" 1
1382 1 74 ASN QD 1 75 LEU H . . 4.440 4.345 3.942 4.489 0.049 13 0 "[ . 1 . 2]" 1
1383 1 74 ASN QD 1 75 LEU QD . . 5.270 2.970 2.463 3.468 . 0 0 "[ . 1 . 2]" 1
1384 1 75 LEU H 1 75 LEU QB . . 2.770 2.355 2.268 2.420 . 0 0 "[ . 1 . 2]" 1
1385 1 75 LEU H 1 75 LEU MD1 . . 3.790 3.270 3.058 3.780 . 0 0 "[ . 1 . 2]" 1
1386 1 75 LEU H 1 75 LEU MD2 . . 3.790 2.118 2.036 2.371 . 0 0 "[ . 1 . 2]" 1
1387 1 75 LEU H 1 75 LEU HG . . 4.020 3.982 3.909 4.046 0.026 16 0 "[ . 1 . 2]" 1
1388 1 75 LEU H 1 76 PHE H . . 3.030 2.882 2.808 2.957 . 0 0 "[ . 1 . 2]" 1
1389 1 75 LEU H 1 77 HIS H . . 5.030 5.032 4.973 5.060 0.030 8 0 "[ . 1 . 2]" 1
1390 1 75 LEU H 1 84 PHE HZ . . 5.500 5.571 5.526 5.602 0.102 9 0 "[ . 1 . 2]" 1
1391 1 75 LEU HA 1 75 LEU MD1 . . 3.720 2.154 2.109 2.204 . 0 0 "[ . 1 . 2]" 1
1392 1 75 LEU HA 1 75 LEU QD . . 3.250 2.128 2.078 2.182 . 0 0 "[ . 1 . 2]" 1
1393 1 75 LEU HA 1 75 LEU MD2 . . 3.720 3.335 2.957 3.498 . 0 0 "[ . 1 . 2]" 1
1394 1 75 LEU QB 1 76 PHE H . . 4.000 3.660 3.565 3.770 . 0 0 "[ . 1 . 2]" 1
1395 1 75 LEU QB 1 79 LYS QZ . . 3.460 2.042 1.988 2.112 . 0 0 "[ . 1 . 2]" 1
1396 1 75 LEU QB 1 82 ASN HD21 . . 4.540 3.813 3.009 4.330 . 0 0 "[ . 1 . 2]" 1
1397 1 75 LEU QB 1 84 PHE HZ . . 4.250 3.206 3.023 3.380 . 0 0 "[ . 1 . 2]" 1
1398 1 75 LEU HB2 1 76 PHE H . . 4.600 3.919 3.790 4.089 . 0 0 "[ . 1 . 2]" 1
1399 1 75 LEU HB2 1 77 HIS H . . 5.160 5.212 5.182 5.238 0.078 1 0 "[ . 1 . 2]" 1
1400 1 75 LEU HB3 1 76 PHE H . . 4.600 4.393 4.340 4.454 . 0 0 "[ . 1 . 2]" 1
1401 1 75 LEU HB3 1 77 HIS H . . 5.160 4.704 4.524 4.764 . 0 0 "[ . 1 . 2]" 1
1402 1 75 LEU QD 1 76 PHE H . . 4.180 4.031 3.976 4.105 . 0 0 "[ . 1 . 2]" 1
1403 1 75 LEU QD 1 79 LYS QZ . . 3.610 2.826 2.351 3.190 . 0 0 "[ . 1 . 2]" 1
1404 1 75 LEU QD 1 82 ASN HD21 . . 4.180 2.836 2.333 3.123 . 0 0 "[ . 1 . 2]" 1
1405 1 75 LEU QD 1 84 PHE QE . . 4.360 2.380 2.175 2.635 . 0 0 "[ . 1 . 2]" 1
1406 1 75 LEU QD 1 84 PHE HZ . . 3.870 3.012 2.872 3.298 . 0 0 "[ . 1 . 2]" 1
1407 1 75 LEU MD1 1 76 PHE H . . 4.750 4.559 4.425 4.702 . 0 0 "[ . 1 . 2]" 1
1408 1 75 LEU MD1 1 84 PHE QE . . 5.180 3.178 2.938 3.712 . 0 0 "[ . 1 . 2]" 1
1409 1 75 LEU MD1 1 84 PHE HZ . . 4.560 3.854 3.682 4.032 . 0 0 "[ . 1 . 2]" 1
1410 1 75 LEU MD2 1 76 PHE H . . 4.750 4.495 4.442 4.543 . 0 0 "[ . 1 . 2]" 1
1411 1 75 LEU MD2 1 84 PHE QE . . 5.180 2.462 2.233 2.699 . 0 0 "[ . 1 . 2]" 1
1412 1 75 LEU MD2 1 84 PHE HZ . . 4.560 3.149 2.973 3.500 . 0 0 "[ . 1 . 2]" 1
1413 1 75 LEU HG 1 79 LYS QZ . . 4.520 3.229 2.920 3.434 . 0 0 "[ . 1 . 2]" 1
1414 1 75 LEU HG 1 82 ASN HD21 . . 3.560 2.604 2.183 2.966 . 0 0 "[ . 1 . 2]" 1
1415 1 75 LEU HG 1 84 PHE QE . . 4.360 2.582 2.369 2.901 . 0 0 "[ . 1 . 2]" 1
1416 1 75 LEU HG 1 84 PHE HZ . . 4.100 2.265 2.159 2.481 . 0 0 "[ . 1 . 2]" 1
1417 1 76 PHE H 1 76 PHE QB . . 3.030 2.351 2.294 2.408 . 0 0 "[ . 1 . 2]" 1
1418 1 76 PHE H 1 76 PHE QD . . 3.490 2.061 1.992 2.148 . 0 0 "[ . 1 . 2]" 1
1419 1 76 PHE H 1 77 HIS H . . 2.790 2.749 2.673 2.815 0.025 18 0 "[ . 1 . 2]" 1
1420 1 76 PHE H 1 77 HIS HA . . 5.080 5.143 5.052 5.199 0.119 10 0 "[ . 1 . 2]" 1
1421 1 76 PHE H 1 77 HIS QB . . 4.620 4.499 4.300 4.724 0.104 14 0 "[ . 1 . 2]" 1
1422 1 76 PHE H 1 78 CYS H . . 4.880 4.964 4.878 5.038 0.158 13 0 "[ . 1 . 2]" 1
1423 1 76 PHE HA 1 76 PHE QD . . 3.730 3.772 3.765 3.777 0.047 14 0 "[ . 1 . 2]" 1
1424 1 76 PHE HA 1 77 HIS H . . 3.550 3.303 3.286 3.327 . 0 0 "[ . 1 . 2]" 1
1425 1 76 PHE HA 1 78 CYS H . . 4.440 3.455 3.362 3.527 . 0 0 "[ . 1 . 2]" 1
1426 1 76 PHE QB 1 77 HIS H . . 4.050 3.785 3.734 3.849 . 0 0 "[ . 1 . 2]" 1
1427 1 76 PHE QB 1 78 CYS H . . 4.500 4.555 4.524 4.593 0.093 14 0 "[ . 1 . 2]" 1
1428 1 76 PHE QD 1 77 HIS H . . 4.930 3.665 3.515 3.798 . 0 0 "[ . 1 . 2]" 1
1429 1 77 HIS H 1 77 HIS QB . . 3.220 2.248 2.086 2.410 . 0 0 "[ . 1 . 2]" 1
1430 1 77 HIS H 1 77 HIS HD2 . . 5.130 4.013 2.706 5.161 0.031 18 0 "[ . 1 . 2]" 1
1431 1 77 HIS H 1 78 CYS H . . 3.660 2.964 2.881 3.044 . 0 0 "[ . 1 . 2]" 1
1432 1 77 HIS H 1 79 LYS H . . 5.290 4.437 4.200 4.647 . 0 0 "[ . 1 . 2]" 1
1433 1 77 HIS H 1 79 LYS QZ . . 5.470 3.985 3.682 4.680 . 0 0 "[ . 1 . 2]" 1
1434 1 77 HIS HA 1 77 HIS HE1 . . 4.870 4.893 4.842 4.916 0.046 19 0 "[ . 1 . 2]" 1
1435 1 77 HIS HA 1 78 CYS H . . 3.300 3.276 3.210 3.312 0.012 9 0 "[ . 1 . 2]" 1
1436 1 77 HIS QB 1 77 HIS HD2 . . 3.420 2.540 2.492 2.580 . 0 0 "[ . 1 . 2]" 1
1437 1 77 HIS QB 1 78 CYS H . . 4.030 3.420 3.317 3.499 . 0 0 "[ . 1 . 2]" 1
1438 1 77 HIS QB 1 79 LYS H . . 3.900 3.165 2.981 3.517 . 0 0 "[ . 1 . 2]" 1
1439 1 77 HIS QB 1 79 LYS HG3 . . 3.410 2.950 2.741 3.462 0.052 6 0 "[ . 1 . 2]" 1
1440 1 78 CYS H 1 78 CYS HA . . 2.730 2.293 2.257 2.316 . 0 0 "[ . 1 . 2]" 1
1441 1 78 CYS H 1 78 CYS HB2 . . 4.180 2.921 2.767 3.020 . 0 0 "[ . 1 . 2]" 1
1442 1 78 CYS H 1 78 CYS QB . . 3.660 2.807 2.676 2.893 . 0 0 "[ . 1 . 2]" 1
1443 1 78 CYS H 1 78 CYS HB3 . . 4.180 3.653 3.417 3.977 . 0 0 "[ . 1 . 2]" 1
1444 1 78 CYS H 1 79 LYS H . . 3.220 2.924 2.785 3.102 . 0 0 "[ . 1 . 2]" 1
1445 1 78 CYS HA 1 79 LYS H . . 3.320 2.691 2.400 2.973 . 0 0 "[ . 1 . 2]" 1
1446 1 79 LYS H 1 79 LYS QB . . 2.930 2.756 2.632 2.880 . 0 0 "[ . 1 . 2]" 1
1447 1 79 LYS H 1 79 LYS HD2 . . 4.650 3.545 2.180 3.943 . 0 0 "[ . 1 . 2]" 1
1448 1 79 LYS H 1 79 LYS QD . . 3.920 3.350 2.156 3.680 . 0 0 "[ . 1 . 2]" 1
1449 1 79 LYS H 1 79 LYS HD3 . . 4.650 4.174 3.404 4.429 . 0 0 "[ . 1 . 2]" 1
1450 1 79 LYS H 1 79 LYS QE . . 4.000 2.671 2.142 4.074 0.074 6 0 "[ . 1 . 2]" 1
1451 1 79 LYS H 1 79 LYS HG2 . . 3.570 3.451 3.387 3.549 . 0 0 "[ . 1 . 2]" 1
1452 1 79 LYS H 1 79 LYS HG3 . . 2.700 1.892 1.827 2.053 . 0 0 "[ . 1 . 2]" 1
1453 1 79 LYS H 1 80 ASP H . . 4.670 4.648 4.605 4.676 0.006 10 0 "[ . 1 . 2]" 1
1454 1 79 LYS HA 1 79 LYS HG3 . . 3.650 3.715 3.701 3.743 0.093 6 0 "[ . 1 . 2]" 1
1455 1 79 LYS HA 1 80 ASP H . . 2.660 2.318 2.261 2.390 . 0 0 "[ . 1 . 2]" 1
1456 1 79 LYS HA 1 81 LYS H . . 4.720 4.502 4.281 4.667 . 0 0 "[ . 1 . 2]" 1
1457 1 79 LYS QB 1 79 LYS QE . . 4.060 3.597 3.489 3.771 . 0 0 "[ . 1 . 2]" 1
1458 1 79 LYS QB 1 80 ASP H . . 3.010 2.489 2.270 2.596 . 0 0 "[ . 1 . 2]" 1
1459 1 79 LYS QB 1 81 LYS H . . 4.040 3.076 2.537 3.336 . 0 0 "[ . 1 . 2]" 1
1460 1 79 LYS QD 1 80 ASP H . . 4.120 3.642 3.509 3.741 . 0 0 "[ . 1 . 2]" 1
1461 1 79 LYS QD 1 81 LYS H . . 4.890 2.529 2.351 2.770 . 0 0 "[ . 1 . 2]" 1
1462 1 79 LYS QD 1 81 LYS HA . . 3.880 3.312 2.952 3.579 . 0 0 "[ . 1 . 2]" 1
1463 1 79 LYS QE 1 79 LYS HG2 . . 3.910 3.417 2.649 3.542 . 0 0 "[ . 1 . 2]" 1
1464 1 79 LYS QE 1 79 LYS HG3 . . 3.690 2.620 2.490 3.313 . 0 0 "[ . 1 . 2]" 1
1465 1 79 LYS QE 1 80 ASP H . . 5.200 4.789 4.475 5.308 0.108 1 0 "[ . 1 . 2]" 1
1466 1 79 LYS QE 1 81 LYS H . . 3.990 3.982 3.649 4.023 0.033 4 0 "[ . 1 . 2]" 1
1467 1 79 LYS HG3 1 79 LYS QZ . . 4.410 2.298 2.236 2.380 . 0 0 "[ . 1 . 2]" 1
1468 1 79 LYS HG3 1 80 ASP H . . 5.000 4.986 4.905 5.026 0.026 3 0 "[ . 1 . 2]" 1
1469 1 79 LYS QZ 1 82 ASN HB2 . . 4.740 2.441 2.300 2.590 . 0 0 "[ . 1 . 2]" 1
1470 1 79 LYS QZ 1 82 ASN QB . . 4.150 2.380 2.249 2.540 . 0 0 "[ . 1 . 2]" 1
1471 1 79 LYS QZ 1 82 ASN HB3 . . 4.740 3.373 2.801 3.665 . 0 0 "[ . 1 . 2]" 1
1472 1 79 LYS QZ 1 82 ASN HD21 . . 5.140 3.367 2.658 3.996 . 0 0 "[ . 1 . 2]" 1
1473 1 79 LYS QZ 1 82 ASN HD22 . . 4.080 4.188 4.124 4.222 0.142 13 0 "[ . 1 . 2]" 1
1474 1 79 LYS QZ 1 84 PHE HZ . . 4.070 3.683 3.038 4.058 . 0 0 "[ . 1 . 2]" 1
1475 1 80 ASP H 1 80 ASP QB . . 2.860 2.454 2.352 2.517 . 0 0 "[ . 1 . 2]" 1
1476 1 80 ASP H 1 81 LYS H . . 3.100 2.820 2.453 3.026 . 0 0 "[ . 1 . 2]" 1
1477 1 80 ASP H 1 81 LYS HA . . 5.330 5.281 4.994 5.382 0.052 5 0 "[ . 1 . 2]" 1
1478 1 80 ASP H 1 81 LYS QG . . 5.010 4.727 4.257 4.950 . 0 0 "[ . 1 . 2]" 1
1479 1 80 ASP H 1 118 VAL QG . . 5.190 4.114 3.852 4.436 . 0 0 "[ . 1 . 2]" 1
1480 1 80 ASP HA 1 118 VAL H . . 4.130 3.622 3.469 3.878 . 0 0 "[ . 1 . 2]" 1
1481 1 80 ASP HA 1 118 VAL HB . . 3.930 2.719 2.455 2.971 . 0 0 "[ . 1 . 2]" 1
1482 1 80 ASP HA 1 118 VAL QG . . 4.090 2.206 2.117 2.410 . 0 0 "[ . 1 . 2]" 1
1483 1 80 ASP QB 1 81 LYS H . . 3.810 2.890 2.580 3.643 . 0 0 "[ . 1 . 2]" 1
1484 1 80 ASP QB 1 81 LYS QG . . 4.560 3.084 2.687 3.833 . 0 0 "[ . 1 . 2]" 1
1485 1 80 ASP QB 1 118 VAL H . . 4.360 4.088 3.909 4.185 . 0 0 "[ . 1 . 2]" 1
1486 1 80 ASP QB 1 118 VAL QG . . 3.470 3.514 2.474 3.741 0.271 4 0 "[ . 1 . 2]" 1
1487 1 81 LYS H 1 81 LYS HB3 . . 3.810 3.686 3.603 3.742 . 0 0 "[ . 1 . 2]" 1
1488 1 81 LYS H 1 81 LYS QG . . 3.290 2.741 2.650 2.841 . 0 0 "[ . 1 . 2]" 1
1489 1 81 LYS H 1 82 ASN H . . 4.490 4.348 4.309 4.386 . 0 0 "[ . 1 . 2]" 1
1490 1 81 LYS H 1 118 VAL H . . 5.500 4.954 4.872 5.153 . 0 0 "[ . 1 . 2]" 1
1491 1 81 LYS H 1 118 VAL QG . . 5.050 4.258 4.124 4.677 . 0 0 "[ . 1 . 2]" 1
1492 1 81 LYS HA 1 82 ASN H . . 2.430 2.331 2.267 2.429 . 0 0 "[ . 1 . 2]" 1
1493 1 81 LYS HA 1 118 VAL HB . . 5.500 5.383 4.854 5.518 0.018 13 0 "[ . 1 . 2]" 1
1494 1 81 LYS HB2 1 82 ASN H . . 2.950 2.496 2.334 2.596 . 0 0 "[ . 1 . 2]" 1
1495 1 81 LYS HB2 1 116 CYS H . . 4.240 3.483 3.063 3.787 . 0 0 "[ . 1 . 2]" 1
1496 1 81 LYS HB2 1 117 ASN QD . . 4.790 3.803 3.150 4.814 0.024 20 0 "[ . 1 . 2]" 1
1497 1 81 LYS HB3 1 82 ASN H . . 4.150 3.681 3.615 3.773 . 0 0 "[ . 1 . 2]" 1
1498 1 81 LYS HB3 1 117 ASN HA . . 4.720 2.190 2.076 2.337 . 0 0 "[ . 1 . 2]" 1
1499 1 81 LYS HB3 1 118 VAL H . . 4.760 3.485 3.283 3.627 . 0 0 "[ . 1 . 2]" 1
1500 1 81 LYS QD 1 117 ASN HB2 . . 5.500 5.288 4.970 5.546 0.046 18 0 "[ . 1 . 2]" 1
1501 1 81 LYS QD 1 117 ASN QD . . 4.550 3.265 2.589 4.426 . 0 0 "[ . 1 . 2]" 1
1502 1 81 LYS QE 1 81 LYS QG . . 3.350 2.437 2.120 2.798 . 0 0 "[ . 1 . 2]" 1
1503 1 81 LYS QE 1 82 ASN H . . 5.500 4.123 3.344 5.270 . 0 0 "[ . 1 . 2]" 1
1504 1 81 LYS QE 1 83 THR H . . 5.500 4.427 3.263 5.514 0.014 6 0 "[ . 1 . 2]" 1
1505 1 81 LYS QE 1 117 ASN QD . . 4.410 3.776 3.001 4.435 0.025 2 0 "[ . 1 . 2]" 1
1506 1 81 LYS QG 1 82 ASN H . . 4.080 3.935 3.684 4.100 0.020 16 0 "[ . 1 . 2]" 1
1507 1 81 LYS QG 1 116 CYS H . . 5.500 5.477 5.105 5.623 0.123 5 0 "[ . 1 . 2]" 1
1508 1 81 LYS QG 1 118 VAL H . . 4.600 4.695 4.629 4.762 0.162 11 0 "[ . 1 . 2]" 1
1509 1 82 ASN H 1 82 ASN HB2 . . 3.750 3.113 2.940 3.397 . 0 0 "[ . 1 . 2]" 1
1510 1 82 ASN H 1 82 ASN HB3 . . 3.750 3.045 2.952 3.185 . 0 0 "[ . 1 . 2]" 1
1511 1 82 ASN H 1 82 ASN HD21 . . 5.500 5.342 5.220 5.504 0.004 5 0 "[ . 1 . 2]" 1
1512 1 82 ASN H 1 84 PHE QE . . 5.500 5.327 4.935 5.534 0.034 6 0 "[ . 1 . 2]" 1
1513 1 82 ASN H 1 115 ASP HA . . 4.430 4.310 4.118 4.427 . 0 0 "[ . 1 . 2]" 1
1514 1 82 ASN H 1 116 CYS H . . 3.210 2.854 2.626 3.094 . 0 0 "[ . 1 . 2]" 1
1515 1 82 ASN H 1 116 CYS HB2 . . 4.350 3.897 3.073 4.374 0.024 3 0 "[ . 1 . 2]" 1
1516 1 82 ASN H 1 116 CYS QB . . 3.740 3.597 3.018 3.775 0.035 12 0 "[ . 1 . 2]" 1
1517 1 82 ASN H 1 116 CYS HB3 . . 4.350 4.335 4.120 4.403 0.053 20 0 "[ . 1 . 2]" 1
1518 1 82 ASN HA 1 82 ASN HD21 . . 4.500 4.370 4.015 4.522 0.022 1 0 "[ . 1 . 2]" 1
1519 1 82 ASN HA 1 83 THR H . . 2.530 2.232 2.132 2.379 . 0 0 "[ . 1 . 2]" 1
1520 1 82 ASN QB 1 82 ASN HD21 . . 2.970 2.251 2.203 2.305 . 0 0 "[ . 1 . 2]" 1
1521 1 82 ASN QB 1 83 THR H . . 4.350 3.582 3.200 3.908 . 0 0 "[ . 1 . 2]" 1
1522 1 82 ASN QB 1 84 PHE QE . . 5.340 3.227 2.946 3.555 . 0 0 "[ . 1 . 2]" 1
1523 1 82 ASN QB 1 84 PHE HZ . . 4.480 3.575 3.021 3.833 . 0 0 "[ . 1 . 2]" 1
1524 1 82 ASN HD21 1 84 PHE QE . . 3.490 2.697 2.400 3.504 0.014 5 0 "[ . 1 . 2]" 1
1525 1 82 ASN HD21 1 84 PHE HZ . . 3.780 2.708 2.515 3.474 . 0 0 "[ . 1 . 2]" 1
1526 1 82 ASN HD22 1 83 THR H . . 5.330 4.640 4.003 5.285 . 0 0 "[ . 1 . 2]" 1
1527 1 82 ASN HD22 1 84 PHE QE . . 4.060 2.977 2.665 3.195 . 0 0 "[ . 1 . 2]" 1
1528 1 82 ASN HD22 1 84 PHE HZ . . 4.370 3.995 3.796 4.185 . 0 0 "[ . 1 . 2]" 1
1529 1 83 THR H 1 83 THR HB . . 2.840 2.612 2.512 2.807 . 0 0 "[ . 1 . 2]" 1
1530 1 83 THR H 1 83 THR MG . . 4.160 3.847 3.788 3.944 . 0 0 "[ . 1 . 2]" 1
1531 1 83 THR H 1 84 PHE H . . 4.720 4.105 3.893 4.396 . 0 0 "[ . 1 . 2]" 1
1532 1 83 THR H 1 115 ASP HA . . 4.960 4.939 4.807 5.036 0.076 20 0 "[ . 1 . 2]" 1
1533 1 83 THR HA 1 83 THR MG . . 3.480 2.333 2.233 2.444 . 0 0 "[ . 1 . 2]" 1
1534 1 83 THR HA 1 84 PHE H . . 2.640 2.240 2.178 2.310 . 0 0 "[ . 1 . 2]" 1
1535 1 83 THR HA 1 115 ASP H . . 4.880 4.795 4.586 4.957 0.077 18 0 "[ . 1 . 2]" 1
1536 1 83 THR HA 1 116 CYS H . . 4.190 4.248 4.131 4.303 0.113 16 0 "[ . 1 . 2]" 1
1537 1 83 THR HB 1 84 PHE H . . 4.920 4.472 4.411 4.499 . 0 0 "[ . 1 . 2]" 1
1538 1 83 THR MG 1 84 PHE H . . 3.320 3.378 3.165 3.414 0.094 15 0 "[ . 1 . 2]" 1
1539 1 83 THR MG 1 114 SER H . . 3.900 3.923 3.849 3.962 0.062 19 0 "[ . 1 . 2]" 1
1540 1 84 PHE H 1 84 PHE HB2 . . 3.110 2.514 2.465 2.551 . 0 0 "[ . 1 . 2]" 1
1541 1 84 PHE H 1 84 PHE HB3 . . 3.700 3.684 3.662 3.718 0.018 6 0 "[ . 1 . 2]" 1
1542 1 84 PHE H 1 84 PHE QD . . 3.450 3.091 2.887 3.242 . 0 0 "[ . 1 . 2]" 1
1543 1 84 PHE H 1 85 ILE HA . . 5.500 5.420 5.239 5.473 . 0 0 "[ . 1 . 2]" 1
1544 1 84 PHE H 1 114 SER H . . 3.890 3.554 3.414 3.699 . 0 0 "[ . 1 . 2]" 1
1545 1 84 PHE H 1 114 SER HA . . 4.910 4.905 4.836 4.937 0.027 5 0 "[ . 1 . 2]" 1
1546 1 84 PHE H 1 114 SER HB2 . . 5.240 5.238 5.134 5.279 0.039 19 0 "[ . 1 . 2]" 1
1547 1 84 PHE H 1 114 SER HB3 . . 4.160 3.699 3.557 3.757 . 0 0 "[ . 1 . 2]" 1
1548 1 84 PHE H 1 115 ASP HA . . 3.650 3.237 3.114 3.383 . 0 0 "[ . 1 . 2]" 1
1549 1 84 PHE H 1 116 CYS H . . 5.080 4.956 4.708 5.087 0.007 20 0 "[ . 1 . 2]" 1
1550 1 84 PHE HA 1 84 PHE QD . . 4.270 2.487 2.330 2.678 . 0 0 "[ . 1 . 2]" 1
1551 1 84 PHE HA 1 85 ILE H . . 2.700 2.113 2.085 2.133 . 0 0 "[ . 1 . 2]" 1
1552 1 84 PHE HA 1 114 SER H . . 5.180 4.926 4.811 4.991 . 0 0 "[ . 1 . 2]" 1
1553 1 84 PHE HB2 1 85 ILE H . . 4.280 4.186 4.063 4.279 . 0 0 "[ . 1 . 2]" 1
1554 1 84 PHE HB2 1 114 SER H . . 3.870 3.460 3.315 3.573 . 0 0 "[ . 1 . 2]" 1
1555 1 84 PHE HB3 1 85 ILE H . . 3.370 3.237 3.031 3.389 0.019 1 0 "[ . 1 . 2]" 1
1556 1 84 PHE HB3 1 114 SER H . . 4.710 4.570 4.440 4.658 . 0 0 "[ . 1 . 2]" 1
1557 1 84 PHE HB3 1 114 SER HB3 . . 4.060 3.267 3.160 3.363 . 0 0 "[ . 1 . 2]" 1
1558 1 84 PHE QD 1 85 ILE H . . 4.170 3.845 3.561 3.979 . 0 0 "[ . 1 . 2]" 1
1559 1 84 PHE QD 1 114 SER H . . 5.320 4.954 4.753 5.089 . 0 0 "[ . 1 . 2]" 1
1560 1 84 PHE QD 1 114 SER HB3 . . 4.690 3.341 3.189 3.492 . 0 0 "[ . 1 . 2]" 1
1561 1 84 PHE QD 1 114 SER HG . . 4.700 2.937 2.820 3.103 . 0 0 "[ . 1 . 2]" 1
1562 1 84 PHE QD 1 115 ASP HA . . 5.030 4.460 4.237 4.708 . 0 0 "[ . 1 . 2]" 1
1563 1 85 ILE H 1 85 ILE HB . . 2.900 2.424 2.367 2.480 . 0 0 "[ . 1 . 2]" 1
1564 1 85 ILE H 1 85 ILE MD . . 4.030 3.672 3.528 3.766 . 0 0 "[ . 1 . 2]" 1
1565 1 85 ILE H 1 85 ILE QG . . 2.860 2.697 2.602 2.785 . 0 0 "[ . 1 . 2]" 1
1566 1 85 ILE H 1 85 ILE MG . . 4.010 3.798 3.761 3.826 . 0 0 "[ . 1 . 2]" 1
1567 1 85 ILE H 1 86 TYR H . . 4.470 4.338 4.251 4.401 . 0 0 "[ . 1 . 2]" 1
1568 1 85 ILE H 1 86 TYR HA . . 5.170 5.046 4.952 5.137 . 0 0 "[ . 1 . 2]" 1
1569 1 85 ILE H 1 114 SER HB3 . . 5.390 5.407 5.330 5.484 0.094 9 0 "[ . 1 . 2]" 1
1570 1 85 ILE HA 1 85 ILE MG . . 3.490 2.511 2.475 2.541 . 0 0 "[ . 1 . 2]" 1
1571 1 85 ILE HA 1 86 TYR H . . 2.680 2.220 2.202 2.244 . 0 0 "[ . 1 . 2]" 1
1572 1 85 ILE HA 1 113 LEU QD . . 4.000 2.504 2.294 2.630 . 0 0 "[ . 1 . 2]" 1
1573 1 85 ILE HA 1 114 SER H . . 4.060 3.878 3.669 4.041 . 0 0 "[ . 1 . 2]" 1
1574 1 85 ILE HB 1 86 TYR H . . 4.730 4.468 4.444 4.503 . 0 0 "[ . 1 . 2]" 1
1575 1 85 ILE HB 1 87 SER H . . 5.170 4.489 4.365 4.647 . 0 0 "[ . 1 . 2]" 1
1576 1 85 ILE QG 1 114 SER H . . 5.280 4.713 4.608 4.789 . 0 0 "[ . 1 . 2]" 1
1577 1 85 ILE MG 1 86 TYR H . . 3.280 3.215 3.173 3.301 0.021 12 0 "[ . 1 . 2]" 1
1578 1 85 ILE MG 1 86 TYR HA . . 4.660 3.935 3.853 4.065 . 0 0 "[ . 1 . 2]" 1
1579 1 85 ILE MG 1 87 SER H . . 3.920 2.922 2.776 3.153 . 0 0 "[ . 1 . 2]" 1
1580 1 85 ILE MG 1 87 SER QB . . 3.540 2.396 2.159 2.800 . 0 0 "[ . 1 . 2]" 1
1581 1 85 ILE MG 1 88 ARG H . . 5.410 5.238 4.862 5.398 . 0 0 "[ . 1 . 2]" 1
1582 1 85 ILE MG 1 111 PHE H . . 5.500 5.477 5.323 5.540 0.040 12 0 "[ . 1 . 2]" 1
1583 1 85 ILE MG 1 111 PHE HB2 . . 4.250 3.262 3.144 3.335 . 0 0 "[ . 1 . 2]" 1
1584 1 85 ILE MG 1 111 PHE HB3 . . 4.520 3.426 3.266 3.563 . 0 0 "[ . 1 . 2]" 1
1585 1 85 ILE MG 1 111 PHE QD . . 4.110 4.005 3.887 4.097 . 0 0 "[ . 1 . 2]" 1
1586 1 85 ILE MG 1 112 TYR H . . 5.040 4.875 4.705 5.047 0.007 17 0 "[ . 1 . 2]" 1
1587 1 86 TYR H 1 86 TYR HB2 . . 3.220 2.850 2.773 2.948 . 0 0 "[ . 1 . 2]" 1
1588 1 86 TYR H 1 86 TYR HB3 . . 2.960 2.394 2.360 2.421 . 0 0 "[ . 1 . 2]" 1
1589 1 86 TYR H 1 86 TYR QD . . 4.280 4.290 4.279 4.302 0.022 2 0 "[ . 1 . 2]" 1
1590 1 86 TYR H 1 87 SER H . . 4.330 4.020 3.944 4.088 . 0 0 "[ . 1 . 2]" 1
1591 1 86 TYR H 1 112 TYR H . . 4.610 4.055 3.997 4.135 . 0 0 "[ . 1 . 2]" 1
1592 1 86 TYR H 1 112 TYR HB2 . . 4.230 4.076 3.769 4.236 0.006 11 0 "[ . 1 . 2]" 1
1593 1 86 TYR H 1 112 TYR QD . . 5.500 5.532 5.499 5.553 0.053 4 0 "[ . 1 . 2]" 1
1594 1 86 TYR H 1 113 LEU HA . . 4.700 3.640 3.507 3.767 . 0 0 "[ . 1 . 2]" 1
1595 1 86 TYR H 1 113 LEU QD . . 5.150 3.464 3.281 3.689 . 0 0 "[ . 1 . 2]" 1
1596 1 86 TYR H 1 114 SER H . . 5.290 4.423 4.168 4.687 . 0 0 "[ . 1 . 2]" 1
1597 1 86 TYR HA 1 86 TYR QD . . 3.180 2.260 2.219 2.299 . 0 0 "[ . 1 . 2]" 1
1598 1 86 TYR HA 1 86 TYR QE . . 4.580 4.588 4.559 4.624 0.044 13 0 "[ . 1 . 2]" 1
1599 1 86 TYR HA 1 87 SER H . . 2.430 2.244 2.173 2.283 . 0 0 "[ . 1 . 2]" 1
1600 1 86 TYR HA 1 112 TYR H . . 5.500 5.584 5.551 5.618 0.118 13 0 "[ . 1 . 2]" 1
1601 1 86 TYR HB2 1 87 SER H . . 4.830 4.533 4.440 4.568 . 0 0 "[ . 1 . 2]" 1
1602 1 86 TYR HB2 1 112 TYR HB2 . . 4.100 3.873 3.746 4.020 . 0 0 "[ . 1 . 2]" 1
1603 1 86 TYR HB3 1 112 TYR H . . 4.790 3.374 3.098 3.633 . 0 0 "[ . 1 . 2]" 1
1604 1 86 TYR HB3 1 112 TYR QD . . 5.500 4.097 3.935 4.232 . 0 0 "[ . 1 . 2]" 1
1605 1 86 TYR QD 1 87 SER H . . 3.720 3.112 2.981 3.221 . 0 0 "[ . 1 . 2]" 1
1606 1 86 TYR QD 1 112 TYR H . . 4.670 4.425 4.283 4.520 . 0 0 "[ . 1 . 2]" 1
1607 1 86 TYR QD 1 112 TYR HB2 . . 3.470 2.510 2.435 2.627 . 0 0 "[ . 1 . 2]" 1
1608 1 86 TYR QD 1 112 TYR HB3 . . 3.720 2.548 2.466 2.809 . 0 0 "[ . 1 . 2]" 1
1609 1 86 TYR QE 1 87 SER H . . 5.460 5.163 4.980 5.279 . 0 0 "[ . 1 . 2]" 1
1610 1 86 TYR QE 1 112 TYR HB2 . . 4.640 4.245 4.169 4.316 . 0 0 "[ . 1 . 2]" 1
1611 1 86 TYR QE 1 112 TYR HB3 . . 5.330 4.754 4.702 4.922 . 0 0 "[ . 1 . 2]" 1
1612 1 86 TYR QE 1 112 TYR QD . . 4.620 4.308 3.281 4.623 0.003 9 0 "[ . 1 . 2]" 1
1613 1 87 SER H 1 87 SER QB . . 3.200 2.948 2.752 3.215 0.015 9 0 "[ . 1 . 2]" 1
1614 1 87 SER HA 1 88 ARG H . . 2.740 2.395 2.254 2.583 . 0 0 "[ . 1 . 2]" 1
1615 1 87 SER QB 1 88 ARG H . . 3.890 2.512 2.160 3.057 . 0 0 "[ . 1 . 2]" 1
1616 1 87 SER QB 1 88 ARG QG . . 4.790 4.679 4.381 4.859 0.069 19 0 "[ . 1 . 2]" 1
1617 1 87 SER QB 1 111 PHE QD . . 4.150 2.877 2.297 3.584 . 0 0 "[ . 1 . 2]" 1
1618 1 88 ARG H 1 88 ARG QB . . 2.710 2.320 2.187 2.482 . 0 0 "[ . 1 . 2]" 1
1619 1 88 ARG H 1 88 ARG HD2 . . 4.790 4.592 4.122 4.841 0.051 20 0 "[ . 1 . 2]" 1
1620 1 88 ARG H 1 88 ARG QD . . 4.120 4.072 3.909 4.136 0.016 6 0 "[ . 1 . 2]" 1
1621 1 88 ARG H 1 88 ARG HD3 . . 4.790 4.613 4.301 4.861 0.071 13 0 "[ . 1 . 2]" 1
1622 1 88 ARG H 1 88 ARG QG . . 2.850 2.652 2.423 2.886 0.036 2 0 "[ . 1 . 2]" 1
1623 1 88 ARG H 1 90 GLU H . . 5.160 4.975 4.923 5.043 . 0 0 "[ . 1 . 2]" 1
1624 1 88 ARG H 1 91 PRO HD2 . . 3.630 3.638 3.549 3.670 0.040 8 0 "[ . 1 . 2]" 1
1625 1 88 ARG H 1 91 PRO HD3 . . 4.630 4.554 4.438 4.638 0.008 14 0 "[ . 1 . 2]" 1
1626 1 88 ARG H 1 91 PRO HG2 . . 4.210 3.392 3.115 3.520 . 0 0 "[ . 1 . 2]" 1
1627 1 88 ARG H 1 92 VAL MG2 . . 4.260 4.272 3.835 4.343 0.083 13 0 "[ . 1 . 2]" 1
1628 1 88 ARG HA 1 90 GLU H . . 4.220 4.247 4.219 4.280 0.060 17 0 "[ . 1 . 2]" 1
1629 1 88 ARG QB 1 89 PRO QD . . 4.090 2.159 2.091 2.253 . 0 0 "[ . 1 . 2]" 1
1630 1 88 ARG QB 1 91 PRO HD2 . . 3.690 2.451 2.309 2.586 . 0 0 "[ . 1 . 2]" 1
1631 1 88 ARG QB 1 91 PRO HD3 . . 4.260 2.975 2.816 3.113 . 0 0 "[ . 1 . 2]" 1
1632 1 88 ARG HB2 1 90 GLU H . . 3.670 3.373 3.142 3.596 . 0 0 "[ . 1 . 2]" 1
1633 1 88 ARG HB2 1 91 PRO HD2 . . 4.570 2.560 2.366 2.790 . 0 0 "[ . 1 . 2]" 1
1634 1 88 ARG HB3 1 90 GLU H . . 3.670 2.666 2.428 2.941 . 0 0 "[ . 1 . 2]" 1
1635 1 88 ARG HB3 1 91 PRO HD2 . . 4.570 3.215 2.954 3.511 . 0 0 "[ . 1 . 2]" 1
1636 1 88 ARG QD 1 90 GLU H . . 5.340 4.542 4.046 5.128 . 0 0 "[ . 1 . 2]" 1
1637 1 88 ARG QG 1 89 PRO QD . . 4.540 3.245 2.623 3.777 . 0 0 "[ . 1 . 2]" 1
1638 1 88 ARG QG 1 90 GLU H . . 5.290 4.676 4.477 4.876 . 0 0 "[ . 1 . 2]" 1
1639 1 88 ARG QG 1 91 PRO HD2 . . 4.900 4.500 4.220 4.684 . 0 0 "[ . 1 . 2]" 1
1640 1 89 PRO HA 1 92 VAL H . . 3.840 3.819 3.702 3.862 0.022 19 0 "[ . 1 . 2]" 1
1641 1 89 PRO HA 1 92 VAL HB . . 4.260 2.823 2.690 2.979 . 0 0 "[ . 1 . 2]" 1
1642 1 89 PRO HA 1 92 VAL MG2 . . 4.250 2.989 2.838 3.098 . 0 0 "[ . 1 . 2]" 1
1643 1 89 PRO QB 1 90 GLU H . . 4.030 3.523 3.493 3.569 . 0 0 "[ . 1 . 2]" 1
1644 1 89 PRO QB 1 93 LYS H . . 5.150 4.248 4.202 4.323 . 0 0 "[ . 1 . 2]" 1
1645 1 89 PRO QD 1 90 GLU H . . 3.380 2.940 2.821 3.036 . 0 0 "[ . 1 . 2]" 1
1646 1 89 PRO QG 1 90 GLU H . . 3.970 2.778 2.667 2.884 . 0 0 "[ . 1 . 2]" 1
1647 1 90 GLU H 1 90 GLU QB . . 2.410 2.341 2.212 2.434 0.024 17 0 "[ . 1 . 2]" 1
1648 1 90 GLU H 1 90 GLU QG . . 4.040 2.711 2.312 3.671 . 0 0 "[ . 1 . 2]" 1
1649 1 90 GLU H 1 91 PRO HD2 . . 2.680 2.340 2.259 2.405 . 0 0 "[ . 1 . 2]" 1
1650 1 90 GLU H 1 91 PRO HD3 . . 3.260 3.345 3.321 3.361 0.101 9 0 "[ . 1 . 2]" 1
1651 1 90 GLU H 1 92 VAL H . . 4.400 4.036 3.976 4.090 . 0 0 "[ . 1 . 2]" 1
1652 1 90 GLU H 1 92 VAL MG2 . . 4.550 4.587 4.560 4.608 0.058 16 0 "[ . 1 . 2]" 1
1653 1 90 GLU H 1 93 LYS H . . 5.500 4.852 4.800 4.904 . 0 0 "[ . 1 . 2]" 1
1654 1 90 GLU HA 1 90 GLU QG . . 3.530 2.357 2.262 2.651 . 0 0 "[ . 1 . 2]" 1
1655 1 90 GLU HA 1 92 VAL H . . 4.110 3.815 3.778 3.859 . 0 0 "[ . 1 . 2]" 1
1656 1 90 GLU HA 1 93 LYS H . . 3.930 3.770 3.691 3.862 . 0 0 "[ . 1 . 2]" 1
1657 1 90 GLU HA 1 93 LYS QZ . . 4.900 3.519 3.410 3.694 . 0 0 "[ . 1 . 2]" 1
1658 1 90 GLU HA 1 94 ALA H . . 3.710 3.584 3.492 3.680 . 0 0 "[ . 1 . 2]" 1
1659 1 90 GLU QB 1 91 PRO HD3 . . 3.560 2.144 2.055 2.260 . 0 0 "[ . 1 . 2]" 1
1660 1 90 GLU QB 1 92 VAL H . . 4.640 4.375 4.346 4.409 . 0 0 "[ . 1 . 2]" 1
1661 1 90 GLU QB 1 94 ALA H . . 5.330 4.797 4.691 4.935 . 0 0 "[ . 1 . 2]" 1
1662 1 90 GLU HB2 1 91 PRO HD3 . . 4.080 2.196 2.085 2.399 . 0 0 "[ . 1 . 2]" 1
1663 1 90 GLU HB3 1 91 PRO HD3 . . 4.080 3.059 2.759 3.265 . 0 0 "[ . 1 . 2]" 1
1664 1 90 GLU QG 1 91 PRO HD3 . . 4.240 4.224 4.074 4.300 0.060 17 0 "[ . 1 . 2]" 1
1665 1 91 PRO HA 1 94 ALA MB . . 4.190 3.345 3.277 3.423 . 0 0 "[ . 1 . 2]" 1
1666 1 91 PRO HA 1 95 ILE H . . 4.520 4.583 4.573 4.596 0.076 18 0 "[ . 1 . 2]" 1
1667 1 91 PRO HA 1 95 ILE MD . . 4.970 4.803 4.762 4.851 . 0 0 "[ . 1 . 2]" 1
1668 1 91 PRO HA 1 111 PHE QE . . 5.330 5.062 4.987 5.161 . 0 0 "[ . 1 . 2]" 1
1669 1 91 PRO HB2 1 92 VAL H . . 3.910 3.982 3.972 3.994 0.084 10 0 "[ . 1 . 2]" 1
1670 1 91 PRO HB2 1 111 PHE QD . . 5.500 4.616 4.513 4.749 . 0 0 "[ . 1 . 2]" 1
1671 1 91 PRO HB2 1 111 PHE HZ . . 3.960 2.893 2.726 3.028 . 0 0 "[ . 1 . 2]" 1
1672 1 91 PRO HB3 1 92 VAL H . . 4.520 4.520 4.504 4.534 0.014 15 0 "[ . 1 . 2]" 1
1673 1 91 PRO HB3 1 92 VAL MG2 . . 5.470 4.915 4.861 4.983 . 0 0 "[ . 1 . 2]" 1
1674 1 91 PRO HB3 1 94 ALA MB . . 5.500 5.233 5.169 5.322 . 0 0 "[ . 1 . 2]" 1
1675 1 91 PRO HB3 1 111 PHE QE . . 4.260 3.333 3.242 3.431 . 0 0 "[ . 1 . 2]" 1
1676 1 91 PRO HD2 1 92 VAL H . . 3.740 3.148 3.074 3.225 . 0 0 "[ . 1 . 2]" 1
1677 1 91 PRO HD3 1 92 VAL H . . 4.210 4.119 4.080 4.159 . 0 0 "[ . 1 . 2]" 1
1678 1 91 PRO HG2 1 92 VAL H . . 3.450 3.305 3.230 3.368 . 0 0 "[ . 1 . 2]" 1
1679 1 91 PRO HG2 1 111 PHE HZ . . 4.930 4.769 4.550 4.942 0.012 12 0 "[ . 1 . 2]" 1
1680 1 92 VAL H 1 92 VAL HB . . 2.670 2.632 2.578 2.674 0.004 1 0 "[ . 1 . 2]" 1
1681 1 92 VAL H 1 92 VAL MG2 . . 2.740 2.461 2.394 2.501 . 0 0 "[ . 1 . 2]" 1
1682 1 92 VAL H 1 93 LYS H . . 2.730 2.329 2.305 2.384 . 0 0 "[ . 1 . 2]" 1
1683 1 92 VAL H 1 93 LYS HB2 . . 4.380 4.415 4.382 4.428 0.048 15 0 "[ . 1 . 2]" 1
1684 1 92 VAL H 1 93 LYS HB3 . . 5.500 4.955 4.910 5.058 . 0 0 "[ . 1 . 2]" 1
1685 1 92 VAL H 1 94 ALA H . . 3.610 3.577 3.528 3.620 0.010 1 0 "[ . 1 . 2]" 1
1686 1 92 VAL H 1 94 ALA MB . . 5.070 4.502 4.431 4.559 . 0 0 "[ . 1 . 2]" 1
1687 1 92 VAL H 1 95 ILE MD . . 4.650 4.453 4.427 4.474 . 0 0 "[ . 1 . 2]" 1
1688 1 92 VAL HA 1 92 VAL MG2 . . 3.340 2.579 2.555 2.641 . 0 0 "[ . 1 . 2]" 1
1689 1 92 VAL HA 1 95 ILE MD . . 4.380 2.142 2.124 2.172 . 0 0 "[ . 1 . 2]" 1
1690 1 92 VAL HA 1 95 ILE HG13 . . 4.010 2.883 2.832 2.945 . 0 0 "[ . 1 . 2]" 1
1691 1 92 VAL HA 1 104 ASN HD22 . . 5.500 5.619 5.602 5.638 0.138 20 0 "[ . 1 . 2]" 1
1692 1 92 VAL HB 1 93 LYS H . . 3.010 2.341 2.222 2.375 . 0 0 "[ . 1 . 2]" 1
1693 1 92 VAL HB 1 93 LYS QZ . . 5.500 5.525 5.503 5.640 0.140 18 0 "[ . 1 . 2]" 1
1694 1 92 VAL HB 1 94 ALA H . . 5.500 4.929 4.771 4.970 . 0 0 "[ . 1 . 2]" 1
1695 1 92 VAL MG1 1 93 LYS H . . 3.650 3.421 3.301 3.485 . 0 0 "[ . 1 . 2]" 1
1696 1 92 VAL MG1 1 93 LYS HA . . 4.480 3.676 3.557 3.743 . 0 0 "[ . 1 . 2]" 1
1697 1 92 VAL MG2 1 93 LYS H . . 3.900 3.706 3.631 3.734 . 0 0 "[ . 1 . 2]" 1
1698 1 92 VAL MG2 1 111 PHE QD . . 4.920 4.956 4.938 4.974 0.054 7 0 "[ . 1 . 2]" 1
1699 1 92 VAL MG2 1 111 PHE QE . . 4.570 4.570 4.507 4.597 0.027 12 0 "[ . 1 . 2]" 1
1700 1 93 LYS H 1 93 LYS HB2 . . 2.800 2.239 2.157 2.258 . 0 0 "[ . 1 . 2]" 1
1701 1 93 LYS H 1 93 LYS HB3 . . 3.020 3.018 3.002 3.040 0.020 19 0 "[ . 1 . 2]" 1
1702 1 93 LYS H 1 93 LYS HG2 . . 4.590 4.444 4.418 4.547 . 0 0 "[ . 1 . 2]" 1
1703 1 93 LYS H 1 93 LYS HG3 . . 4.390 4.138 3.942 4.187 . 0 0 "[ . 1 . 2]" 1
1704 1 93 LYS H 1 93 LYS QZ . . 5.490 4.067 4.044 4.173 . 0 0 "[ . 1 . 2]" 1
1705 1 93 LYS H 1 94 ALA H . . 2.880 2.735 2.688 2.757 . 0 0 "[ . 1 . 2]" 1
1706 1 93 LYS H 1 95 ILE H . . 4.520 4.292 4.236 4.334 . 0 0 "[ . 1 . 2]" 1
1707 1 93 LYS H 1 95 ILE MD . . 4.720 4.801 4.793 4.811 0.091 1 0 "[ . 1 . 2]" 1
1708 1 93 LYS HA 1 93 LYS HG2 . . 3.730 2.306 2.248 2.571 . 0 0 "[ . 1 . 2]" 1
1709 1 93 LYS HA 1 93 LYS HG3 . . 3.610 2.696 2.411 2.768 . 0 0 "[ . 1 . 2]" 1
1710 1 93 LYS HA 1 95 ILE H . . 4.030 4.005 3.971 4.036 0.006 1 0 "[ . 1 . 2]" 1
1711 1 93 LYS HA 1 96 CYS H . . 4.700 4.531 4.482 4.587 . 0 0 "[ . 1 . 2]" 1
1712 1 93 LYS HB2 1 94 ALA H . . 3.580 3.598 3.592 3.604 0.024 9 0 "[ . 1 . 2]" 1
1713 1 93 LYS HB3 1 93 LYS QZ . . 3.550 2.236 1.890 2.297 . 0 0 "[ . 1 . 2]" 1
1714 1 93 LYS HB3 1 94 ALA H . . 3.600 2.740 2.696 2.888 . 0 0 "[ . 1 . 2]" 1
1715 1 93 LYS HB3 1 94 ALA HA . . 4.040 3.933 3.893 4.045 0.005 19 0 "[ . 1 . 2]" 1
1716 1 93 LYS HE2 1 93 LYS HG3 . . 4.140 3.611 3.576 3.686 . 0 0 "[ . 1 . 2]" 1
1717 1 93 LYS HE3 1 93 LYS HG3 . . 4.140 2.588 2.390 4.152 0.012 19 0 "[ . 1 . 2]" 1
1718 1 93 LYS HG2 1 93 LYS QZ . . 4.200 3.699 3.349 3.750 . 0 0 "[ . 1 . 2]" 1
1719 1 93 LYS HG3 1 94 ALA H . . 5.290 5.201 5.128 5.232 . 0 0 "[ . 1 . 2]" 1
1720 1 94 ALA H 1 94 ALA MB . . 2.400 2.225 2.217 2.245 . 0 0 "[ . 1 . 2]" 1
1721 1 94 ALA H 1 95 ILE H . . 3.160 2.752 2.719 2.773 . 0 0 "[ . 1 . 2]" 1
1722 1 94 ALA H 1 95 ILE HA . . 5.180 5.248 5.225 5.256 0.076 11 0 "[ . 1 . 2]" 1
1723 1 94 ALA H 1 95 ILE HG13 . . 5.180 3.997 3.973 4.021 . 0 0 "[ . 1 . 2]" 1
1724 1 94 ALA H 1 96 CYS H . . 4.740 4.665 4.643 4.690 . 0 0 "[ . 1 . 2]" 1
1725 1 94 ALA HA 1 95 ILE H . . 3.430 3.379 3.366 3.405 . 0 0 "[ . 1 . 2]" 1
1726 1 94 ALA HA 1 96 CYS H . . 3.670 3.513 3.492 3.546 . 0 0 "[ . 1 . 2]" 1
1727 1 94 ALA MB 1 95 ILE H . . 3.250 3.245 3.208 3.256 0.006 2 0 "[ . 1 . 2]" 1
1728 1 94 ALA MB 1 96 CYS H . . 4.450 4.524 4.514 4.532 0.082 4 0 "[ . 1 . 2]" 1
1729 1 95 ILE H 1 95 ILE HB . . 2.700 2.661 2.637 2.685 . 0 0 "[ . 1 . 2]" 1
1730 1 95 ILE H 1 95 ILE MD . . 3.720 3.484 3.462 3.499 . 0 0 "[ . 1 . 2]" 1
1731 1 95 ILE H 1 95 ILE HG12 . . 3.460 3.326 3.297 3.361 . 0 0 "[ . 1 . 2]" 1
1732 1 95 ILE H 1 95 ILE HG13 . . 2.910 1.990 1.963 2.013 . 0 0 "[ . 1 . 2]" 1
1733 1 95 ILE H 1 95 ILE MG . . 3.890 3.826 3.820 3.834 . 0 0 "[ . 1 . 2]" 1
1734 1 95 ILE H 1 96 CYS H . . 2.990 2.778 2.751 2.801 . 0 0 "[ . 1 . 2]" 1
1735 1 95 ILE H 1 96 CYS HA . . 5.500 5.440 5.420 5.458 . 0 0 "[ . 1 . 2]" 1
1736 1 95 ILE H 1 107 THR MG . . 5.500 5.256 5.190 5.316 . 0 0 "[ . 1 . 2]" 1
1737 1 95 ILE HA 1 95 ILE HG12 . . 4.110 2.690 2.665 2.723 . 0 0 "[ . 1 . 2]" 1
1738 1 95 ILE HA 1 95 ILE HG13 . . 4.190 3.055 3.025 3.078 . 0 0 "[ . 1 . 2]" 1
1739 1 95 ILE HA 1 95 ILE MG . . 3.510 2.422 2.390 2.441 . 0 0 "[ . 1 . 2]" 1
1740 1 95 ILE HA 1 107 THR MG . . 4.830 4.655 4.587 4.743 . 0 0 "[ . 1 . 2]" 1
1741 1 95 ILE HB 1 96 CYS H . . 2.980 2.837 2.810 2.867 . 0 0 "[ . 1 . 2]" 1
1742 1 95 ILE MD 1 96 CYS H . . 5.190 4.668 4.621 4.704 . 0 0 "[ . 1 . 2]" 1
1743 1 95 ILE MD 1 104 ASN HD21 . . 3.930 3.820 3.725 3.922 . 0 0 "[ . 1 . 2]" 1
1744 1 95 ILE MD 1 104 ASN HD22 . . 3.250 3.187 3.122 3.241 . 0 0 "[ . 1 . 2]" 1
1745 1 95 ILE MD 1 111 PHE HZ . . 4.810 4.758 4.676 4.816 0.006 18 0 "[ . 1 . 2]" 1
1746 1 95 ILE HG13 1 96 CYS H . . 4.440 4.279 4.227 4.324 . 0 0 "[ . 1 . 2]" 1
1747 1 95 ILE MG 1 96 CYS H . . 3.730 3.747 3.737 3.762 0.032 1 0 "[ . 1 . 2]" 1
1748 1 95 ILE MG 1 96 CYS HA . . 4.120 4.022 3.971 4.072 . 0 0 "[ . 1 . 2]" 1
1749 1 95 ILE MG 1 105 VAL HA . . 4.870 4.689 4.650 4.725 . 0 0 "[ . 1 . 2]" 1
1750 1 95 ILE MG 1 106 LEU H . . 5.230 5.032 4.997 5.057 . 0 0 "[ . 1 . 2]" 1
1751 1 96 CYS H 1 96 CYS HB2 . . 3.740 3.736 3.725 3.745 0.005 14 0 "[ . 1 . 2]" 1
1752 1 96 CYS H 1 96 CYS QB . . 3.070 2.932 2.881 3.010 . 0 0 "[ . 1 . 2]" 1
1753 1 96 CYS H 1 96 CYS HB3 . . 3.740 3.067 2.994 3.174 . 0 0 "[ . 1 . 2]" 1
1754 1 96 CYS H 1 99 ILE MD . . 4.740 4.784 4.776 4.794 0.054 3 0 "[ . 1 . 2]" 1
1755 1 96 CYS HA 1 99 ILE H . . 5.430 4.977 4.902 5.052 . 0 0 "[ . 1 . 2]" 1
1756 1 96 CYS HA 1 99 ILE MD . . 4.110 2.783 2.762 2.807 . 0 0 "[ . 1 . 2]" 1
1757 1 96 CYS QB 1 97 LYS H . . 2.490 2.502 2.497 2.509 0.019 6 0 "[ . 1 . 2]" 1
1758 1 96 CYS QB 1 99 ILE H . . 5.340 3.294 3.233 3.337 . 0 0 "[ . 1 . 2]" 1
1759 1 96 CYS QB 1 99 ILE MD . . 3.460 1.972 1.958 1.982 . 0 0 "[ . 1 . 2]" 1
1760 1 97 LYS H 1 97 LYS HA . . 2.900 2.928 2.918 2.937 0.037 12 0 "[ . 1 . 2]" 1
1761 1 97 LYS H 1 97 LYS QB . . 3.060 2.820 2.785 2.843 . 0 0 "[ . 1 . 2]" 1
1762 1 97 LYS H 1 97 LYS HD2 . . 5.500 5.082 4.971 5.232 . 0 0 "[ . 1 . 2]" 1
1763 1 97 LYS H 1 97 LYS QD . . 4.620 4.531 4.429 4.604 . 0 0 "[ . 1 . 2]" 1
1764 1 97 LYS H 1 97 LYS HD3 . . 5.500 5.114 4.868 5.387 . 0 0 "[ . 1 . 2]" 1
1765 1 97 LYS H 1 97 LYS QG . . 4.630 4.397 4.341 4.439 . 0 0 "[ . 1 . 2]" 1
1766 1 97 LYS H 1 98 GLY H . . 4.120 3.829 3.741 3.925 . 0 0 "[ . 1 . 2]" 1
1767 1 97 LYS H 1 99 ILE HB . . 3.890 3.921 3.909 3.935 0.045 2 0 "[ . 1 . 2]" 1
1768 1 97 LYS H 1 99 ILE MD . . 4.460 3.028 2.957 3.102 . 0 0 "[ . 1 . 2]" 1
1769 1 97 LYS H 1 99 ILE HG12 . . 5.010 4.149 4.061 4.263 . 0 0 "[ . 1 . 2]" 1
1770 1 97 LYS H 1 99 ILE HG13 . . 4.860 2.463 2.392 2.564 . 0 0 "[ . 1 . 2]" 1
1771 1 97 LYS HA 1 97 LYS QD . . 4.680 2.735 2.169 3.433 . 0 0 "[ . 1 . 2]" 1
1772 1 97 LYS HA 1 97 LYS HG2 . . 3.870 3.086 2.380 3.786 . 0 0 "[ . 1 . 2]" 1
1773 1 97 LYS HA 1 97 LYS QG . . 3.380 2.598 2.346 2.923 . 0 0 "[ . 1 . 2]" 1
1774 1 97 LYS HA 1 97 LYS HG3 . . 3.870 3.264 2.788 3.661 . 0 0 "[ . 1 . 2]" 1
1775 1 97 LYS HA 1 98 GLY H . . 2.420 2.154 2.126 2.174 . 0 0 "[ . 1 . 2]" 1
1776 1 97 LYS HA 1 99 ILE H . . 3.970 3.770 3.692 3.822 . 0 0 "[ . 1 . 2]" 1
1777 1 97 LYS QD 1 98 GLY H . . 3.760 3.383 3.024 3.669 . 0 0 "[ . 1 . 2]" 1
1778 1 97 LYS QE 1 97 LYS QG . . 3.360 2.164 2.094 2.362 . 0 0 "[ . 1 . 2]" 1
1779 1 97 LYS QE 1 98 GLY H . . 5.460 4.800 4.420 5.283 . 0 0 "[ . 1 . 2]" 1
1780 1 97 LYS QG 1 98 GLY H . . 3.660 3.542 3.293 3.674 0.014 12 0 "[ . 1 . 2]" 1
1781 1 97 LYS QG 1 98 GLY QA . . 5.180 4.105 3.664 4.542 . 0 0 "[ . 1 . 2]" 1
1782 1 98 GLY H 1 98 GLY QA . . 2.510 2.263 2.253 2.272 . 0 0 "[ . 1 . 2]" 1
1783 1 98 GLY H 1 99 ILE H . . 3.100 2.626 2.595 2.677 . 0 0 "[ . 1 . 2]" 1
1784 1 98 GLY H 1 99 ILE MD . . 5.500 5.544 5.536 5.551 0.051 6 0 "[ . 1 . 2]" 1
1785 1 98 GLY QA 1 100 ILE HG12 . . 5.340 4.566 4.469 4.732 . 0 0 "[ . 1 . 2]" 1
1786 1 99 ILE H 1 99 ILE HA . . 2.900 2.904 2.900 2.912 0.012 10 0 "[ . 1 . 2]" 1
1787 1 99 ILE H 1 99 ILE HB . . 2.630 2.480 2.444 2.503 . 0 0 "[ . 1 . 2]" 1
1788 1 99 ILE H 1 99 ILE MD . . 4.350 3.799 3.776 3.820 . 0 0 "[ . 1 . 2]" 1
1789 1 99 ILE H 1 99 ILE HG12 . . 3.580 3.476 3.446 3.520 . 0 0 "[ . 1 . 2]" 1
1790 1 99 ILE H 1 99 ILE HG13 . . 3.060 2.332 2.304 2.365 . 0 0 "[ . 1 . 2]" 1
1791 1 99 ILE H 1 99 ILE MG . . 4.110 3.812 3.798 3.820 . 0 0 "[ . 1 . 2]" 1
1792 1 99 ILE H 1 100 ILE H . . 4.570 4.400 4.373 4.438 . 0 0 "[ . 1 . 2]" 1
1793 1 99 ILE HA 1 99 ILE HG12 . . 3.600 2.398 2.379 2.418 . 0 0 "[ . 1 . 2]" 1
1794 1 99 ILE HA 1 100 ILE H . . 2.420 2.063 2.050 2.074 . 0 0 "[ . 1 . 2]" 1
1795 1 99 ILE HA 1 100 ILE HG13 . . 4.930 3.760 3.707 3.801 . 0 0 "[ . 1 . 2]" 1
1796 1 99 ILE HA 1 101 ALA H . . 3.520 3.192 3.136 3.253 . 0 0 "[ . 1 . 2]" 1
1797 1 99 ILE MG 1 100 ILE H . . 3.010 3.008 2.972 3.024 0.014 15 0 "[ . 1 . 2]" 1
1798 1 99 ILE MG 1 100 ILE HA . . 4.110 3.742 3.704 3.809 . 0 0 "[ . 1 . 2]" 1
1799 1 99 ILE MG 1 101 ALA H . . 3.380 2.415 2.330 2.462 . 0 0 "[ . 1 . 2]" 1
1800 1 99 ILE MG 1 102 SER H . . 4.460 3.109 3.021 3.352 . 0 0 "[ . 1 . 2]" 1
1801 1 99 ILE MG 1 103 LYS H . . 3.310 2.651 2.582 2.746 . 0 0 "[ . 1 . 2]" 1
1802 1 100 ILE H 1 100 ILE HB . . 2.930 2.776 2.639 2.839 . 0 0 "[ . 1 . 2]" 1
1803 1 100 ILE H 1 100 ILE HG12 . . 3.750 3.398 3.356 3.512 . 0 0 "[ . 1 . 2]" 1
1804 1 100 ILE H 1 100 ILE HG13 . . 3.310 2.416 2.393 2.460 . 0 0 "[ . 1 . 2]" 1
1805 1 100 ILE H 1 100 ILE MG . . 4.010 3.925 3.878 3.944 . 0 0 "[ . 1 . 2]" 1
1806 1 100 ILE H 1 101 ALA H . . 2.720 2.043 1.997 2.066 . 0 0 "[ . 1 . 2]" 1
1807 1 100 ILE H 1 101 ALA HA . . 4.870 4.575 4.536 4.619 . 0 0 "[ . 1 . 2]" 1
1808 1 100 ILE H 1 101 ALA MB . . 4.080 3.502 3.469 3.532 . 0 0 "[ . 1 . 2]" 1
1809 1 100 ILE HB 1 101 ALA H . . 4.010 3.423 3.269 3.578 . 0 0 "[ . 1 . 2]" 1
1810 1 100 ILE HG13 1 101 ALA H . . 4.940 4.239 4.169 4.293 . 0 0 "[ . 1 . 2]" 1
1811 1 100 ILE MG 1 101 ALA H . . 5.390 4.201 4.060 4.281 . 0 0 "[ . 1 . 2]" 1
1812 1 101 ALA H 1 101 ALA MB . . 2.410 2.159 2.136 2.179 . 0 0 "[ . 1 . 2]" 1
1813 1 101 ALA MB 1 102 SER H . . 3.920 3.478 3.421 3.622 . 0 0 "[ . 1 . 2]" 1
1814 1 101 ALA MB 1 102 SER QB . . 4.940 4.534 4.403 5.011 0.071 14 0 "[ . 1 . 2]" 1
1815 1 102 SER H 1 102 SER HA . . 2.780 2.276 2.263 2.309 . 0 0 "[ . 1 . 2]" 1
1816 1 102 SER H 1 102 SER QB . . 2.960 2.854 2.743 2.926 . 0 0 "[ . 1 . 2]" 1
1817 1 102 SER HA 1 103 LYS H . . 2.550 2.436 2.379 2.511 . 0 0 "[ . 1 . 2]" 1
1818 1 102 SER QB 1 103 LYS H . . 4.060 4.057 3.950 4.096 0.036 10 0 "[ . 1 . 2]" 1
1819 1 103 LYS H 1 103 LYS HB2 . . 3.870 3.361 3.165 3.506 . 0 0 "[ . 1 . 2]" 1
1820 1 103 LYS H 1 103 LYS QB . . 3.220 2.853 2.738 2.924 . 0 0 "[ . 1 . 2]" 1
1821 1 103 LYS H 1 103 LYS HB3 . . 3.870 3.099 2.882 3.314 . 0 0 "[ . 1 . 2]" 1
1822 1 103 LYS H 1 103 LYS QG . . 4.370 4.262 4.155 4.410 0.040 8 0 "[ . 1 . 2]" 1
1823 1 103 LYS H 1 104 ASN HA . . 4.760 4.792 4.770 4.810 0.050 17 0 "[ . 1 . 2]" 1
1824 1 103 LYS HA 1 103 LYS QG . . 3.110 2.384 2.207 2.662 . 0 0 "[ . 1 . 2]" 1
1825 1 103 LYS HA 1 104 ASN H . . 2.400 2.384 2.341 2.418 0.018 18 0 "[ . 1 . 2]" 1
1826 1 103 LYS HB2 1 104 ASN H . . 4.240 4.149 4.068 4.255 0.015 14 0 "[ . 1 . 2]" 1
1827 1 103 LYS HB3 1 104 ASN H . . 4.240 3.840 3.425 4.117 . 0 0 "[ . 1 . 2]" 1
1828 1 103 LYS QE 1 104 ASN H . . 5.500 4.247 3.473 5.054 . 0 0 "[ . 1 . 2]" 1
1829 1 103 LYS QG 1 104 ASN H . . 2.860 2.280 2.077 2.388 . 0 0 "[ . 1 . 2]" 1
1830 1 103 LYS QG 1 105 VAL H . . 5.500 5.155 4.896 5.517 0.017 13 0 "[ . 1 . 2]" 1
1831 1 104 ASN H 1 104 ASN HB2 . . 2.780 2.933 2.909 2.953 0.173 20 0 "[ . 1 . 2]" 1
1832 1 104 ASN H 1 104 ASN HB3 . . 3.300 3.208 3.183 3.242 . 0 0 "[ . 1 . 2]" 1
1833 1 104 ASN H 1 104 ASN HD21 . . 5.260 5.283 5.257 5.297 0.037 9 0 "[ . 1 . 2]" 1
1834 1 104 ASN H 1 105 VAL H . . 4.350 4.334 4.306 4.351 0.001 6 0 "[ . 1 . 2]" 1
1835 1 104 ASN HA 1 104 ASN HD21 . . 4.650 4.299 4.263 4.334 . 0 0 "[ . 1 . 2]" 1
1836 1 104 ASN HA 1 104 ASN HD22 . . 4.830 4.458 4.434 4.472 . 0 0 "[ . 1 . 2]" 1
1837 1 104 ASN HA 1 105 VAL H . . 2.770 2.722 2.683 2.756 . 0 0 "[ . 1 . 2]" 1
1838 1 104 ASN HB2 1 104 ASN HD21 . . 3.000 2.387 2.355 2.417 . 0 0 "[ . 1 . 2]" 1
1839 1 104 ASN HB2 1 104 ASN HD22 . . 4.040 3.578 3.570 3.591 . 0 0 "[ . 1 . 2]" 1
1840 1 104 ASN HB2 1 105 VAL H . . 4.010 3.685 3.645 3.723 . 0 0 "[ . 1 . 2]" 1
1841 1 104 ASN HB3 1 104 ASN HD21 . . 3.260 2.816 2.752 2.902 . 0 0 "[ . 1 . 2]" 1
1842 1 104 ASN HB3 1 104 ASN HD22 . . 3.760 3.720 3.705 3.735 . 0 0 "[ . 1 . 2]" 1
1843 1 104 ASN HB3 1 105 VAL H . . 3.530 2.519 2.469 2.567 . 0 0 "[ . 1 . 2]" 1
1844 1 105 VAL H 1 105 VAL HB . . 3.380 2.927 2.761 3.206 . 0 0 "[ . 1 . 2]" 1
1845 1 105 VAL H 1 105 VAL MG1 . . 4.070 3.384 2.287 3.973 . 0 0 "[ . 1 . 2]" 1
1846 1 105 VAL H 1 105 VAL QG . . 2.920 2.609 2.273 2.798 . 0 0 "[ . 1 . 2]" 1
1847 1 105 VAL H 1 105 VAL MG2 . . 4.070 3.233 2.785 3.987 . 0 0 "[ . 1 . 2]" 1
1848 1 105 VAL H 1 106 LEU H . . 4.390 4.356 4.341 4.387 . 0 0 "[ . 1 . 2]" 1
1849 1 105 VAL H 1 106 LEU HA . . 5.030 5.090 5.076 5.100 0.070 11 0 "[ . 1 . 2]" 1
1850 1 105 VAL HA 1 106 LEU H . . 2.400 2.208 2.184 2.249 . 0 0 "[ . 1 . 2]" 1
1851 1 105 VAL QG 1 106 LEU H . . 2.850 2.488 2.372 2.561 . 0 0 "[ . 1 . 2]" 1
1852 1 105 VAL MG1 1 106 LEU H . . 4.130 2.993 2.506 3.881 . 0 0 "[ . 1 . 2]" 1
1853 1 105 VAL MG2 1 106 LEU H . . 4.130 3.535 2.397 4.135 0.005 10 0 "[ . 1 . 2]" 1
1854 1 106 LEU H 1 106 LEU HB2 . . 2.860 2.393 2.358 2.439 . 0 0 "[ . 1 . 2]" 1
1855 1 106 LEU H 1 106 LEU HB3 . . 2.680 2.476 2.377 2.574 . 0 0 "[ . 1 . 2]" 1
1856 1 106 LEU H 1 106 LEU MD1 . . 4.170 4.038 3.992 4.077 . 0 0 "[ . 1 . 2]" 1
1857 1 106 LEU H 1 106 LEU MD2 . . 4.250 4.170 4.094 4.232 . 0 0 "[ . 1 . 2]" 1
1858 1 106 LEU H 1 107 THR H . . 4.680 4.665 4.605 4.683 0.003 15 0 "[ . 1 . 2]" 1
1859 1 106 LEU HA 1 106 LEU MD1 . . 3.410 2.171 2.121 2.215 . 0 0 "[ . 1 . 2]" 1
1860 1 106 LEU HA 1 106 LEU HG . . 3.930 3.136 3.096 3.196 . 0 0 "[ . 1 . 2]" 1
1861 1 106 LEU HA 1 107 THR H . . 2.420 2.228 2.165 2.251 . 0 0 "[ . 1 . 2]" 1
1862 1 106 LEU HB2 1 107 THR H . . 4.170 4.186 4.160 4.200 0.030 18 0 "[ . 1 . 2]" 1
1863 1 106 LEU HB3 1 107 THR H . . 4.130 4.128 4.105 4.150 0.020 15 0 "[ . 1 . 2]" 1
1864 1 106 LEU MD1 1 107 THR H . . 2.610 2.541 2.446 2.619 0.009 1 0 "[ . 1 . 2]" 1
1865 1 106 LEU HG 1 107 THR H . . 2.980 2.812 2.761 2.845 . 0 0 "[ . 1 . 2]" 1
1866 1 106 LEU HG 1 108 THR H . . 5.500 5.357 5.326 5.397 . 0 0 "[ . 1 . 2]" 1
1867 1 107 THR H 1 107 THR MG . . 3.620 3.300 3.194 3.659 0.039 1 0 "[ . 1 . 2]" 1
1868 1 107 THR HA 1 107 THR MG . . 3.090 2.166 2.135 2.176 . 0 0 "[ . 1 . 2]" 1
1869 1 107 THR HA 1 108 THR H . . 2.640 2.451 2.418 2.536 . 0 0 "[ . 1 . 2]" 1
1870 1 107 THR HA 1 109 SER H . . 4.460 4.326 4.251 4.401 . 0 0 "[ . 1 . 2]" 1
1871 1 107 THR HA 1 111 PHE HZ . . 5.250 5.278 5.233 5.352 0.102 1 0 "[ . 1 . 2]" 1
1872 1 107 THR HB 1 108 THR H . . 2.830 2.462 2.371 2.857 0.027 1 0 "[ . 1 . 2]" 1
1873 1 107 THR HB 1 109 SER H . . 3.190 2.956 2.702 3.277 0.087 7 0 "[ . 1 . 2]" 1
1874 1 107 THR HB 1 111 PHE QE . . 4.090 2.191 2.148 2.362 . 0 0 "[ . 1 . 2]" 1
1875 1 107 THR MG 1 108 THR H . . 3.640 2.386 1.841 2.533 . 0 0 "[ . 1 . 2]" 1
1876 1 107 THR MG 1 109 SER H . . 3.910 3.138 2.363 3.332 . 0 0 "[ . 1 . 2]" 1
1877 1 107 THR MG 1 109 SER QB . . 4.770 3.637 3.239 3.737 . 0 0 "[ . 1 . 2]" 1
1878 1 107 THR MG 1 111 PHE QD . . 4.370 4.245 4.187 4.303 . 0 0 "[ . 1 . 2]" 1
1879 1 107 THR MG 1 111 PHE HZ . . 3.420 2.276 2.094 2.323 . 0 0 "[ . 1 . 2]" 1
1880 1 108 THR H 1 108 THR HB . . 3.390 3.087 2.986 3.566 0.176 20 0 "[ . 1 . 2]" 1
1881 1 108 THR H 1 108 THR MG . . 3.010 2.322 2.228 2.831 . 0 0 "[ . 1 . 2]" 1
1882 1 108 THR H 1 109 SER H . . 2.710 2.030 1.986 2.085 . 0 0 "[ . 1 . 2]" 1
1883 1 108 THR H 1 109 SER QB . . 4.470 4.075 4.011 4.172 . 0 0 "[ . 1 . 2]" 1
1884 1 108 THR H 1 111 PHE HZ . . 4.560 4.421 4.320 4.502 . 0 0 "[ . 1 . 2]" 1
1885 1 108 THR HA 1 108 THR MG . . 3.400 3.167 2.295 3.267 . 0 0 "[ . 1 . 2]" 1
1886 1 108 THR HB 1 109 SER H . . 4.200 4.096 3.523 4.209 0.009 2 0 "[ . 1 . 2]" 1
1887 1 108 THR MG 1 109 SER H . . 4.010 2.745 2.433 4.048 0.038 11 0 "[ . 1 . 2]" 1
1888 1 109 SER H 1 109 SER QB . . 2.890 2.422 2.376 2.450 . 0 0 "[ . 1 . 2]" 1
1889 1 109 SER H 1 110 GLU H . . 4.640 4.610 4.590 4.638 . 0 0 "[ . 1 . 2]" 1
1890 1 109 SER H 1 111 PHE HZ . . 4.050 3.734 3.554 3.871 . 0 0 "[ . 1 . 2]" 1
1891 1 109 SER HA 1 110 GLU H . . 2.450 2.465 2.452 2.502 0.052 18 0 "[ . 1 . 2]" 1
1892 1 109 SER QB 1 110 GLU H . . 2.630 2.291 2.216 2.338 . 0 0 "[ . 1 . 2]" 1
1893 1 109 SER QB 1 111 PHE QD . . 4.510 3.978 3.914 4.020 . 0 0 "[ . 1 . 2]" 1
1894 1 109 SER QB 1 111 PHE HZ . . 4.060 2.526 2.439 2.586 . 0 0 "[ . 1 . 2]" 1
1895 1 110 GLU H 1 110 GLU HB2 . . 2.790 2.715 2.682 2.771 . 0 0 "[ . 1 . 2]" 1
1896 1 110 GLU H 1 110 GLU HB3 . . 3.840 3.791 3.768 3.826 . 0 0 "[ . 1 . 2]" 1
1897 1 110 GLU H 1 110 GLU HG2 . . 3.490 3.541 3.508 3.555 0.065 12 0 "[ . 1 . 2]" 1
1898 1 110 GLU H 1 110 GLU HG3 . . 2.960 2.747 2.662 2.897 . 0 0 "[ . 1 . 2]" 1
1899 1 110 GLU HA 1 111 PHE H . . 2.620 2.111 2.056 2.134 . 0 0 "[ . 1 . 2]" 1
1900 1 110 GLU HB2 1 111 PHE H . . 4.310 4.363 4.317 4.388 0.078 4 0 "[ . 1 . 2]" 1
1901 1 110 GLU HB3 1 111 PHE H . . 3.720 3.652 3.505 3.730 0.010 5 0 "[ . 1 . 2]" 1
1902 1 111 PHE H 1 111 PHE HB2 . . 3.100 2.620 2.598 2.668 . 0 0 "[ . 1 . 2]" 1
1903 1 111 PHE H 1 111 PHE HB3 . . 3.920 3.674 3.644 3.709 . 0 0 "[ . 1 . 2]" 1
1904 1 111 PHE H 1 111 PHE QD . . 3.340 2.192 2.086 2.297 . 0 0 "[ . 1 . 2]" 1
1905 1 111 PHE H 1 112 TYR H . . 4.670 4.584 4.552 4.614 . 0 0 "[ . 1 . 2]" 1
1906 1 111 PHE H 1 113 LEU H . . 5.500 5.524 5.502 5.550 0.050 19 0 "[ . 1 . 2]" 1
1907 1 111 PHE HA 1 111 PHE QD . . 3.700 3.164 3.040 3.229 . 0 0 "[ . 1 . 2]" 1
1908 1 111 PHE HA 1 112 TYR H . . 2.690 2.451 2.414 2.497 . 0 0 "[ . 1 . 2]" 1
1909 1 111 PHE HB2 1 112 TYR H . . 3.580 3.487 3.410 3.580 . 0 0 "[ . 1 . 2]" 1
1910 1 111 PHE HB2 1 113 LEU QD . . 4.130 2.662 2.478 3.007 . 0 0 "[ . 1 . 2]" 1
1911 1 111 PHE HB3 1 112 TYR H . . 2.930 2.584 2.513 2.686 . 0 0 "[ . 1 . 2]" 1
1912 1 111 PHE HB3 1 113 LEU QD . . 5.440 3.789 3.564 4.154 . 0 0 "[ . 1 . 2]" 1
1913 1 111 PHE QD 1 113 LEU QD . . 4.690 3.565 3.357 3.837 . 0 0 "[ . 1 . 2]" 1
1914 1 112 TYR H 1 112 TYR HB2 . . 2.900 2.158 2.124 2.274 . 0 0 "[ . 1 . 2]" 1
1915 1 112 TYR H 1 112 TYR HB3 . . 3.890 3.394 3.314 3.565 . 0 0 "[ . 1 . 2]" 1
1916 1 112 TYR H 1 112 TYR QD . . 3.400 3.122 2.951 3.272 . 0 0 "[ . 1 . 2]" 1
1917 1 112 TYR H 1 112 TYR QE . . 5.500 5.374 4.985 5.516 0.016 17 0 "[ . 1 . 2]" 1
1918 1 112 TYR H 1 113 LEU H . . 4.510 4.352 4.287 4.427 . 0 0 "[ . 1 . 2]" 1
1919 1 112 TYR H 1 113 LEU QD . . 5.260 4.233 4.024 4.611 . 0 0 "[ . 1 . 2]" 1
1920 1 112 TYR HA 1 112 TYR QD . . 3.370 2.796 2.385 3.000 . 0 0 "[ . 1 . 2]" 1
1921 1 112 TYR HA 1 113 LEU H . . 2.510 2.097 2.067 2.134 . 0 0 "[ . 1 . 2]" 1
1922 1 112 TYR HB2 1 113 LEU H . . 4.830 4.605 4.511 4.645 . 0 0 "[ . 1 . 2]" 1
1923 1 112 TYR HB3 1 113 LEU H . . 4.280 3.871 3.707 3.960 . 0 0 "[ . 1 . 2]" 1
1924 1 112 TYR QD 1 113 LEU H . . 4.460 4.212 3.500 4.429 . 0 0 "[ . 1 . 2]" 1
1925 1 113 LEU H 1 113 LEU HB2 . . 2.720 2.265 2.226 2.316 . 0 0 "[ . 1 . 2]" 1
1926 1 113 LEU H 1 113 LEU HB3 . . 3.610 3.342 3.101 3.455 . 0 0 "[ . 1 . 2]" 1
1927 1 113 LEU H 1 113 LEU QD . . 3.800 3.173 3.009 3.423 . 0 0 "[ . 1 . 2]" 1
1928 1 113 LEU HA 1 113 LEU QD . . 3.380 1.938 1.917 1.955 . 0 0 "[ . 1 . 2]" 1
1929 1 113 LEU HA 1 114 SER H . . 2.570 2.068 2.031 2.127 . 0 0 "[ . 1 . 2]" 1
1930 1 113 LEU HA 1 115 ASP H . . 5.500 5.377 5.199 5.524 0.024 8 0 "[ . 1 . 2]" 1
1931 1 113 LEU HB2 1 114 SER H . . 4.470 4.477 4.427 4.507 0.037 2 0 "[ . 1 . 2]" 1
1932 1 113 LEU HB3 1 114 SER H . . 3.670 3.590 3.450 3.694 0.024 2 0 "[ . 1 . 2]" 1
1933 1 113 LEU HB3 1 115 ASP H . . 5.040 4.593 4.345 4.936 . 0 0 "[ . 1 . 2]" 1
1934 1 113 LEU QD 1 114 SER H . . 4.020 2.542 2.069 2.778 . 0 0 "[ . 1 . 2]" 1
1935 1 113 LEU QD 1 115 ASP H . . 3.970 4.400 3.843 4.834 0.864 12 8 "[ *. *- 1 +**. * *]" 1
1936 1 113 LEU MD1 1 114 SER H . . 4.730 2.582 2.081 2.846 . 0 0 "[ . 1 . 2]" 1
1937 1 113 LEU MD2 1 114 SER H . . 4.730 3.829 3.635 3.932 . 0 0 "[ . 1 . 2]" 1
1938 1 114 SER H 1 114 SER HB2 . . 3.790 3.169 3.065 3.230 . 0 0 "[ . 1 . 2]" 1
1939 1 114 SER H 1 114 SER HB3 . . 3.170 2.578 2.497 2.703 . 0 0 "[ . 1 . 2]" 1
1940 1 114 SER H 1 114 SER HG . . 4.740 4.607 4.530 4.703 . 0 0 "[ . 1 . 2]" 1
1941 1 114 SER HA 1 115 ASP H . . 2.580 2.194 2.144 2.251 . 0 0 "[ . 1 . 2]" 1
1942 1 114 SER HB2 1 115 ASP H . . 5.320 4.502 4.424 4.578 . 0 0 "[ . 1 . 2]" 1
1943 1 114 SER HB3 1 115 ASP H . . 4.590 4.554 4.521 4.585 . 0 0 "[ . 1 . 2]" 1
1944 1 115 ASP H 1 115 ASP HB2 . . 3.010 2.404 2.326 2.531 . 0 0 "[ . 1 . 2]" 1
1945 1 115 ASP H 1 115 ASP HB3 . . 3.930 3.627 3.585 3.695 . 0 0 "[ . 1 . 2]" 1
1946 1 115 ASP H 1 116 CYS H . . 5.500 4.568 4.498 4.623 . 0 0 "[ . 1 . 2]" 1
1947 1 115 ASP HA 1 116 CYS H . . 2.570 2.305 2.196 2.367 . 0 0 "[ . 1 . 2]" 1
1948 1 115 ASP HB2 1 117 ASN HD21 . . 4.700 3.964 3.686 4.306 . 0 0 "[ . 1 . 2]" 1
1949 1 115 ASP HB2 1 117 ASN QD . . 4.050 3.557 3.348 3.737 . 0 0 "[ . 1 . 2]" 1
1950 1 115 ASP HB2 1 117 ASN HD22 . . 4.700 4.067 3.647 4.380 . 0 0 "[ . 1 . 2]" 1
1951 1 115 ASP HB3 1 116 CYS H . . 3.260 2.655 2.496 3.124 . 0 0 "[ . 1 . 2]" 1
1952 1 115 ASP HB3 1 117 ASN HD21 . . 4.510 3.149 2.702 3.861 . 0 0 "[ . 1 . 2]" 1
1953 1 115 ASP HB3 1 117 ASN HD22 . . 4.510 2.946 2.651 3.365 . 0 0 "[ . 1 . 2]" 1
1954 1 116 CYS H 1 116 CYS HB2 . . 3.650 2.872 2.570 3.082 . 0 0 "[ . 1 . 2]" 1
1955 1 116 CYS H 1 116 CYS QB . . 2.950 2.770 2.526 2.910 . 0 0 "[ . 1 . 2]" 1
1956 1 116 CYS H 1 116 CYS HB3 . . 3.650 3.669 3.466 3.741 0.091 20 0 "[ . 1 . 2]" 1
1957 1 116 CYS H 1 117 ASN QD . . 5.250 3.771 3.283 4.452 . 0 0 "[ . 1 . 2]" 1
1958 1 116 CYS HA 1 117 ASN H . . 2.580 2.220 2.131 2.481 . 0 0 "[ . 1 . 2]" 1
1959 1 116 CYS HA 1 117 ASN QD . . 5.070 3.468 3.228 3.819 . 0 0 "[ . 1 . 2]" 1
1960 1 116 CYS QB 1 117 ASN H . . 4.480 3.294 2.585 3.876 . 0 0 "[ . 1 . 2]" 1
1961 1 117 ASN H 1 117 ASN HB2 . . 2.940 2.529 2.292 2.796 . 0 0 "[ . 1 . 2]" 1
1962 1 117 ASN H 1 117 ASN HB3 . . 3.920 3.703 3.567 3.848 . 0 0 "[ . 1 . 2]" 1
1963 1 117 ASN H 1 117 ASN HD21 . . 4.920 2.988 2.537 3.669 . 0 0 "[ . 1 . 2]" 1
1964 1 117 ASN H 1 117 ASN QD . . 4.250 2.944 2.515 3.575 . 0 0 "[ . 1 . 2]" 1
1965 1 117 ASN H 1 117 ASN HD22 . . 4.920 4.492 4.157 4.931 0.011 20 0 "[ . 1 . 2]" 1
1966 1 117 ASN H 1 119 THR MG . . 5.500 5.461 5.009 5.556 0.056 2 0 "[ . 1 . 2]" 1
1967 1 117 ASN HA 1 117 ASN HD21 . . 4.640 3.755 3.440 4.052 . 0 0 "[ . 1 . 2]" 1
1968 1 117 ASN HA 1 117 ASN QD . . 4.010 3.511 3.267 3.739 . 0 0 "[ . 1 . 2]" 1
1969 1 117 ASN HA 1 117 ASN HD22 . . 4.640 4.230 4.075 4.393 . 0 0 "[ . 1 . 2]" 1
1970 1 117 ASN HA 1 118 VAL H . . 2.500 2.166 2.127 2.216 . 0 0 "[ . 1 . 2]" 1
1971 1 117 ASN HA 1 118 VAL HB . . 5.500 4.459 4.379 4.593 . 0 0 "[ . 1 . 2]" 1
1972 1 117 ASN HB2 1 117 ASN QD . . 3.100 2.386 2.270 2.497 . 0 0 "[ . 1 . 2]" 1
1973 1 117 ASN HB2 1 117 ASN HD22 . . 3.710 3.577 3.533 3.618 . 0 0 "[ . 1 . 2]" 1
1974 1 117 ASN HB2 1 118 VAL H . . 4.550 4.318 4.235 4.440 . 0 0 "[ . 1 . 2]" 1
1975 1 117 ASN HB3 1 118 VAL H . . 3.920 3.295 3.110 3.513 . 0 0 "[ . 1 . 2]" 1
1976 1 117 ASN HB3 1 118 VAL QG . . 5.050 4.781 4.079 4.975 . 0 0 "[ . 1 . 2]" 1
1977 1 118 VAL H 1 118 VAL HB . . 3.010 2.330 2.267 2.492 . 0 0 "[ . 1 . 2]" 1
1978 1 118 VAL H 1 118 VAL MG1 . . 3.900 3.617 2.121 3.803 . 0 0 "[ . 1 . 2]" 1
1979 1 118 VAL H 1 118 VAL QG . . 2.900 2.365 2.110 2.448 . 0 0 "[ . 1 . 2]" 1
1980 1 118 VAL H 1 118 VAL MG2 . . 3.900 2.555 2.377 3.792 . 0 0 "[ . 1 . 2]" 1
1981 1 118 VAL H 1 119 THR H . . 4.700 4.682 4.660 4.702 0.002 2 0 "[ . 1 . 2]" 1
1982 1 118 VAL HA 1 119 THR H . . 2.520 2.206 2.173 2.237 . 0 0 "[ . 1 . 2]" 1
1983 1 118 VAL HA 1 119 THR MG . . 4.640 3.645 3.505 3.753 . 0 0 "[ . 1 . 2]" 1
1984 1 118 VAL HB 1 119 THR H . . 4.120 4.093 3.967 4.125 0.005 7 0 "[ . 1 . 2]" 1
1985 1 118 VAL HB 1 120 SER H . . 5.500 5.325 4.824 5.534 0.034 15 0 "[ . 1 . 2]" 1
1986 1 118 VAL QG 1 119 THR H . . 2.720 2.301 2.247 2.341 . 0 0 "[ . 1 . 2]" 1
1987 1 118 VAL QG 1 120 SER H . . 4.220 2.938 2.454 3.314 . 0 0 "[ . 1 . 2]" 1
1988 1 118 VAL QG 1 120 SER QB . . 5.300 3.466 2.538 4.859 . 0 0 "[ . 1 . 2]" 1
1989 1 119 THR H 1 119 THR HB . . 3.850 3.494 3.341 3.841 . 0 0 "[ . 1 . 2]" 1
1990 1 119 THR H 1 119 THR MG . . 2.940 2.541 2.390 2.851 . 0 0 "[ . 1 . 2]" 1
1991 1 119 THR H 1 120 SER H . . 4.000 3.767 3.418 4.032 0.032 16 0 "[ . 1 . 2]" 1
1992 1 119 THR HA 1 120 SER H . . 2.590 2.099 2.025 2.216 . 0 0 "[ . 1 . 2]" 1
1993 1 119 THR MG 1 120 SER H . . 4.330 4.325 4.101 4.372 0.042 18 0 "[ . 1 . 2]" 1
1994 1 120 SER H 1 120 SER QB . . 3.150 2.533 2.223 3.204 0.054 16 0 "[ . 1 . 2]" 1
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