NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624311 |
5mou   |
34078 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mou
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 485
_Distance_constraint_stats_list.Viol_count 496
_Distance_constraint_stats_list.Viol_total 4287.694
_Distance_constraint_stats_list.Viol_max 8.229
_Distance_constraint_stats_list.Viol_rms 0.5692
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0884
_Distance_constraint_stats_list.Viol_average_violations_only 0.8645
_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 1 ALA 36.459 3.921 4 10 [***+****-*]
1 2 ARG 0.111 0.031 6 0 "[ . 1]"
1 3 ASP 0.037 0.027 10 0 "[ . 1]"
1 4 ALA 0.023 0.016 10 0 "[ . 1]"
1 5 TYR 2.770 0.822 4 2 "[ +. -]"
1 6 ILE 1.160 0.103 7 0 "[ . 1]"
1 7 ALA 87.610 8.229 1 10 [+***-*****]
1 8 LYS 10.346 2.331 10 8 "[ ***.*-**+]"
1 9 PRO 2.528 0.276 8 0 "[ . 1]"
1 10 HIS 29.619 3.209 10 10 [********-+]
1 11 ASN 10.587 1.560 6 8 "[*-***+ **1]"
1 12 CYS 26.746 2.331 10 10 [******-**+]
1 13 VAL 59.810 2.837 4 10 [***+*****-]
1 14 TYR 0.017 0.010 6 0 "[ . 1]"
1 15 GLU 0.363 0.056 7 0 "[ . 1]"
1 16 CYS 0.322 0.041 6 0 "[ . 1]"
1 17 TYR 0.010 0.010 9 0 "[ . 1]"
1 18 ASN 0.067 0.020 8 0 "[ . 1]"
1 19 PRO 0.495 0.134 7 0 "[ . 1]"
1 20 LYS 2.322 0.254 1 0 "[ . 1]"
1 21 GLY 2.391 0.254 1 0 "[ . 1]"
1 22 SER 0.733 0.136 3 0 "[ . 1]"
1 23 TYR 0.066 0.021 9 0 "[ . 1]"
1 24 CYS 0.057 0.030 6 0 "[ . 1]"
1 25 ASN 0.000 0.000 . 0 "[ . 1]"
1 26 ASP 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 40.780 2.837 4 10 [***+*****-]
1 28 CYS 1.478 0.286 2 0 "[ . 1]"
1 29 THR 9.194 0.665 7 10 [***-**+***]
1 30 GLU 0.124 0.080 7 0 "[ . 1]"
1 31 ASN 22.835 1.604 7 10 [***-**+***]
1 32 GLY 1.751 0.197 7 0 "[ . 1]"
1 33 ALA 26.828 2.869 8 10 [******-+**]
1 34 GLU 26.228 2.869 8 10 [******-+**]
1 35 SER 0.037 0.013 1 0 "[ . 1]"
1 36 GLY 0.038 0.036 1 0 "[ . 1]"
1 37 TYR 0.156 0.031 4 0 "[ . 1]"
1 38 CYS 0.057 0.022 3 0 "[ . 1]"
1 39 GLN 0.419 0.061 9 0 "[ . 1]"
1 40 ILE 0.481 0.236 6 0 "[ . 1]"
1 41 LEU 0.034 0.021 8 0 "[ . 1]"
1 42 GLY 0.237 0.067 3 0 "[ . 1]"
1 43 LYS 0.214 0.059 7 0 "[ . 1]"
1 44 TYR 94.054 8.229 1 10 [+*****-***]
1 45 GLY 0.274 0.274 10 0 "[ . 1]"
1 46 ASN 0.489 0.274 10 0 "[ . 1]"
1 47 ALA 0.469 0.059 1 0 "[ . 1]"
1 48 CYS 0.361 0.056 7 0 "[ . 1]"
1 49 TRP 0.359 0.048 4 0 "[ . 1]"
1 50 CYS 0.000 0.000 . 0 "[ . 1]"
1 51 ILE 64.065 3.921 4 10 [***+*****-]
1 52 GLN 0.878 0.119 3 0 "[ . 1]"
1 53 LEU 43.161 2.662 6 10 [*-***+****]
1 54 PRO 0.311 0.038 8 0 "[ . 1]"
1 55 ASP 17.657 1.798 4 10 [*-*+******]
1 56 ASN 0.003 0.003 6 0 "[ . 1]"
1 57 VAL 0.158 0.028 7 0 "[ . 1]"
1 58 PRO 28.750 3.020 5 10 [***-+*****]
1 59 ILE 36.659 3.020 5 10 [****+*****]
1 60 ARG 2.443 0.433 8 0 "[ . 1]"
1 61 ILE 7.688 1.560 6 8 "[*-***+ **1]"
1 62 PRO 58.864 6.019 6 10 [*****+-***]
1 63 GLY 0.000 0.000 . 0 "[ . 1]"
1 64 LYS 0.000 0.000 . 0 "[ . 1]"
1 65 CYS 89.007 6.019 6 10 [*****+**-*]
1 66 HIS 0.113 0.034 9 0 "[ . 1]"
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 1 ALA HA 1 2 ARG H . . 2.930 2.579 2.417 2.773 . 0 0 "[ . 1]" 1
2 1 1 ALA MB 1 2 ARG H . . 3.080 2.191 1.863 2.477 . 0 0 "[ . 1]" 1
3 1 1 ALA MB 1 51 ILE HB . . 3.300 6.946 6.790 7.221 3.921 4 10 [***+****-*] 1
4 1 1 ALA MB 1 52 GLN HA . . 3.190 2.315 2.068 2.561 . 0 0 "[ . 1]" 1
5 1 2 ARG H 1 2 ARG HB2 . . 4.230 3.821 3.628 3.969 . 0 0 "[ . 1]" 1
6 1 2 ARG H 1 2 ARG HB3 . . 4.030 3.372 2.432 3.678 . 0 0 "[ . 1]" 1
7 1 2 ARG H 1 2 ARG HG2 . . 3.610 2.808 2.241 3.612 0.002 8 0 "[ . 1]" 1
8 1 2 ARG H 1 2 ARG HG3 . . 4.130 3.107 1.937 4.144 0.014 10 0 "[ . 1]" 1
9 1 2 ARG H 1 52 GLN HA . . 3.680 3.618 3.442 3.692 0.012 10 0 "[ . 1]" 1
10 1 2 ARG H 1 53 LEU QB . . 4.440 3.596 3.277 3.989 . 0 0 "[ . 1]" 1
11 1 2 ARG HA 1 3 ASP H . . 2.850 2.448 2.277 2.646 . 0 0 "[ . 1]" 1
12 1 2 ARG HB2 1 3 ASP H . . 3.400 2.425 1.985 2.833 . 0 0 "[ . 1]" 1
13 1 2 ARG HB3 1 3 ASP H . . 3.740 3.621 3.468 3.767 0.027 10 0 "[ . 1]" 1
14 1 2 ARG HE 1 2 ARG HG2 . . 4.010 3.205 2.573 4.041 0.031 6 0 "[ . 1]" 1
15 1 2 ARG HE 1 2 ARG HG3 . . 3.940 2.946 2.357 3.480 . 0 0 "[ . 1]" 1
16 1 2 ARG HE 1 55 ASP HA . . 4.210 3.672 2.826 4.219 0.009 10 0 "[ . 1]" 1
17 1 2 ARG HE 1 59 ILE MD . . 4.450 3.670 2.602 4.280 . 0 0 "[ . 1]" 1
18 1 2 ARG HE 1 59 ILE MG . . 4.140 3.701 2.616 4.146 0.006 6 0 "[ . 1]" 1
19 1 3 ASP H 1 3 ASP HB2 . . 3.530 2.576 2.434 3.080 . 0 0 "[ . 1]" 1
20 1 3 ASP H 1 3 ASP HB3 . . 3.940 3.697 3.636 3.950 0.010 6 0 "[ . 1]" 1
21 1 3 ASP HA 1 4 ALA H . . 2.760 2.174 2.140 2.206 . 0 0 "[ . 1]" 1
22 1 3 ASP HA 1 51 ILE HA . . 3.210 2.626 2.451 2.831 . 0 0 "[ . 1]" 1
23 1 3 ASP HA 1 52 GLN H . . 3.650 2.935 2.684 3.220 . 0 0 "[ . 1]" 1
24 1 3 ASP HA 1 53 LEU H . . 4.440 3.152 2.791 3.508 . 0 0 "[ . 1]" 1
25 1 3 ASP HB2 1 4 ALA H . . 4.190 4.093 4.035 4.166 . 0 0 "[ . 1]" 1
26 1 3 ASP HB2 1 49 TRP HE1 . . 4.230 3.353 3.180 3.506 . 0 0 "[ . 1]" 1
27 1 3 ASP HB2 1 49 TRP HZ2 . . 2.960 2.151 1.992 2.452 . 0 0 "[ . 1]" 1
28 1 3 ASP HB3 1 4 ALA H . . 3.830 3.176 3.004 3.494 . 0 0 "[ . 1]" 1
29 1 3 ASP HB3 1 49 TRP HE1 . . 3.670 1.988 1.890 2.507 . 0 0 "[ . 1]" 1
30 1 3 ASP HB3 1 49 TRP HZ2 . . 3.130 2.336 2.007 3.104 . 0 0 "[ . 1]" 1
31 1 4 ALA H 1 4 ALA MB . . 3.300 2.860 2.830 2.885 . 0 0 "[ . 1]" 1
32 1 4 ALA H 1 50 CYS H . . 3.620 3.229 2.792 3.446 . 0 0 "[ . 1]" 1
33 1 4 ALA H 1 50 CYS QB . . 4.230 3.543 3.371 3.734 . 0 0 "[ . 1]" 1
34 1 4 ALA H 1 51 ILE HA . . 4.170 3.893 3.667 4.105 . 0 0 "[ . 1]" 1
35 1 4 ALA HA 1 5 TYR H . . 3.180 2.614 2.561 2.684 . 0 0 "[ . 1]" 1
36 1 4 ALA HA 1 49 TRP HZ3 . . 3.320 2.718 2.537 2.899 . 0 0 "[ . 1]" 1
37 1 4 ALA MB 1 5 TYR H . . 3.080 2.068 1.902 2.270 . 0 0 "[ . 1]" 1
38 1 4 ALA MB 1 59 ILE MD . . 2.910 2.765 2.428 2.926 0.016 10 0 "[ . 1]" 1
39 1 4 ALA MB 1 59 ILE MG . . 2.640 2.282 1.813 2.647 0.007 6 0 "[ . 1]" 1
40 1 5 TYR H 1 5 TYR QB . . 3.370 2.569 2.399 2.733 . 0 0 "[ . 1]" 1
41 1 5 TYR H 1 5 TYR QD . . 3.520 2.426 2.089 2.967 . 0 0 "[ . 1]" 1
42 1 5 TYR H 1 49 TRP HZ3 . . 4.310 3.624 3.505 3.756 . 0 0 "[ . 1]" 1
43 1 5 TYR H 1 59 ILE HB . . 4.280 3.875 3.656 4.031 . 0 0 "[ . 1]" 1
44 1 5 TYR H 1 59 ILE MD . . 4.690 4.392 4.145 4.686 . 0 0 "[ . 1]" 1
45 1 5 TYR H 1 59 ILE MG . . 4.400 3.991 3.369 4.396 . 0 0 "[ . 1]" 1
46 1 5 TYR HA 1 6 ILE H . . 2.890 2.173 2.142 2.190 . 0 0 "[ . 1]" 1
47 1 5 TYR HA 1 49 TRP HA . . 3.670 2.196 2.033 2.515 . 0 0 "[ . 1]" 1
48 1 5 TYR HA 1 49 TRP HE3 . . 3.710 3.725 3.601 3.758 0.048 4 0 "[ . 1]" 1
49 1 5 TYR QB 1 6 ILE H . . 4.280 3.062 2.978 3.234 . 0 0 "[ . 1]" 1
50 1 5 TYR QB 1 13 VAL QG . . 3.600 3.752 3.327 4.422 0.822 4 2 "[ +. -]" 1
51 1 5 TYR QB 1 60 ARG H . . 3.940 3.014 2.739 3.271 . 0 0 "[ . 1]" 1
52 1 5 TYR QB 1 60 ARG HB3 . . 3.500 2.094 1.975 2.342 . 0 0 "[ . 1]" 1
53 1 5 TYR QD 1 44 TYR QE . . 3.630 3.645 3.623 3.666 0.036 3 0 "[ . 1]" 1
54 1 5 TYR QD 1 47 ALA MB . . 3.150 2.213 2.006 2.605 . 0 0 "[ . 1]" 1
55 1 5 TYR QD 1 49 TRP HE3 . . 3.650 2.881 2.019 3.066 . 0 0 "[ . 1]" 1
56 1 5 TYR QD 1 49 TRP HZ3 . . 3.430 3.389 3.132 3.469 0.039 1 0 "[ . 1]" 1
57 1 5 TYR QE 1 39 GLN HB2 . . 3.710 2.973 2.018 3.667 . 0 0 "[ . 1]" 1
58 1 5 TYR QE 1 47 ALA MB . . 3.400 3.142 2.869 3.438 0.038 1 0 "[ . 1]" 1
59 1 5 TYR QE 1 49 TRP HE3 . . 3.770 2.701 2.166 2.845 . 0 0 "[ . 1]" 1
60 1 5 TYR QE 1 49 TRP HZ3 . . 3.200 2.592 2.179 3.086 . 0 0 "[ . 1]" 1
61 1 6 ILE H 1 6 ILE HB . . 3.230 2.788 2.768 2.810 . 0 0 "[ . 1]" 1
62 1 6 ILE H 1 6 ILE HG12 . . 4.300 4.375 4.346 4.403 0.103 7 0 "[ . 1]" 1
63 1 6 ILE H 1 6 ILE MG . . 2.830 1.989 1.942 2.022 . 0 0 "[ . 1]" 1
64 1 6 ILE H 1 49 TRP HA . . 4.430 3.548 3.408 3.795 . 0 0 "[ . 1]" 1
65 1 6 ILE H 1 50 CYS H . . 4.450 3.602 3.424 4.247 . 0 0 "[ . 1]" 1
66 1 6 ILE HA 1 7 ALA H . . 3.000 2.189 2.168 2.244 . 0 0 "[ . 1]" 1
67 1 6 ILE HA 1 53 LEU QD . . 3.510 3.060 2.921 3.386 . 0 0 "[ . 1]" 1
68 1 6 ILE HA 1 59 ILE HA . . 3.150 2.839 2.664 3.021 . 0 0 "[ . 1]" 1
69 1 6 ILE HA 1 59 ILE MG . . 3.260 3.132 2.840 3.287 0.027 10 0 "[ . 1]" 1
70 1 6 ILE HB 1 7 ALA H . . 3.980 3.997 3.870 4.049 0.069 7 0 "[ . 1]" 1
71 1 6 ILE MD 1 14 TYR QE . . 3.400 2.875 2.203 3.221 . 0 0 "[ . 1]" 1
72 1 6 ILE MD 1 28 CYS HA . . 3.680 2.763 2.613 2.915 . 0 0 "[ . 1]" 1
73 1 6 ILE MD 1 31 ASN H . . 4.360 4.154 3.945 4.343 . 0 0 "[ . 1]" 1
74 1 6 ILE MD 1 31 ASN QD . . 3.920 2.410 2.119 2.970 . 0 0 "[ . 1]" 1
75 1 6 ILE HG12 1 7 ALA H . . 3.780 3.218 2.908 3.447 . 0 0 "[ . 1]" 1
76 1 6 ILE HG13 1 7 ALA H . . 3.700 2.315 2.030 2.479 . 0 0 "[ . 1]" 1
77 1 6 ILE HG13 1 14 TYR QE . . 3.670 3.563 3.309 3.680 0.010 6 0 "[ . 1]" 1
78 1 6 ILE HG13 1 53 LEU QD . . 3.770 3.646 3.579 3.691 . 0 0 "[ . 1]" 1
79 1 6 ILE HG13 1 57 VAL QG . . 3.160 3.136 3.104 3.174 0.014 5 0 "[ . 1]" 1
80 1 6 ILE MG 1 14 TYR QD . . 2.900 2.033 1.813 2.648 . 0 0 "[ . 1]" 1
81 1 6 ILE MG 1 27 LEU QD . . 2.720 2.490 2.341 2.579 . 0 0 "[ . 1]" 1
82 1 6 ILE MG 1 48 CYS QB . . 3.250 1.940 1.810 2.092 . 0 0 "[ . 1]" 1
83 1 7 ALA H 1 7 ALA MB . . 3.190 2.251 2.131 2.507 . 0 0 "[ . 1]" 1
84 1 7 ALA H 1 59 ILE HA . . 3.220 2.435 2.227 2.608 . 0 0 "[ . 1]" 1
85 1 7 ALA H 1 59 ILE QG . . 4.510 5.295 5.149 5.442 0.932 10 10 [****-****+] 1
86 1 7 ALA H 1 59 ILE MG . . 4.230 3.806 3.549 4.161 . 0 0 "[ . 1]" 1
87 1 7 ALA H 1 60 ARG H . . 4.320 3.888 3.601 4.127 . 0 0 "[ . 1]" 1
88 1 7 ALA HA 1 8 LYS H . . 2.920 2.313 2.209 2.417 . 0 0 "[ . 1]" 1
89 1 7 ALA HA 1 44 TYR HA . . 4.090 12.020 11.818 12.319 8.229 1 10 [+*******-*] 1
90 1 7 ALA MB 1 8 LYS H . . 3.170 2.633 2.348 2.910 . 0 0 "[ . 1]" 1
91 1 7 ALA MB 1 11 ASN HA . . 3.220 2.938 2.496 3.323 0.103 10 0 "[ . 1]" 1
92 1 7 ALA MB 1 59 ILE HA . . 3.240 2.533 2.192 2.845 . 0 0 "[ . 1]" 1
93 1 7 ALA MB 1 60 ARG H . . 3.580 3.156 2.788 3.406 . 0 0 "[ . 1]" 1
94 1 8 LYS H 1 8 LYS QG . . 3.310 2.939 2.064 3.090 . 0 0 "[ . 1]" 1
95 1 8 LYS H 1 12 CYS H . . 3.830 2.400 1.822 3.263 . 0 0 "[ . 1]" 1
96 1 8 LYS H 1 12 CYS HB2 . . 4.360 3.717 3.069 4.193 . 0 0 "[ . 1]" 1
97 1 8 LYS H 1 13 VAL HA . . 4.150 4.172 4.086 4.206 0.056 5 0 "[ . 1]" 1
98 1 8 LYS HA 1 9 PRO HD2 . . 3.350 2.614 2.513 2.701 . 0 0 "[ . 1]" 1
99 1 8 LYS HA 1 9 PRO HD3 . . 2.800 2.410 2.351 2.466 . 0 0 "[ . 1]" 1
100 1 8 LYS HA 1 14 TYR QE . . 3.500 2.783 2.284 3.178 . 0 0 "[ . 1]" 1
101 1 8 LYS HB2 1 9 PRO HD2 . . 3.600 1.978 1.931 2.094 . 0 0 "[ . 1]" 1
102 1 8 LYS QD 1 12 CYS H . . 3.690 4.675 4.071 6.021 2.331 10 8 "[ ***.*-**+]" 1
103 1 8 LYS QG 1 9 PRO HD2 . . 3.690 2.195 1.932 3.863 0.173 4 0 "[ . 1]" 1
104 1 8 LYS QG 1 12 CYS H . . 4.270 2.990 2.645 4.012 . 0 0 "[ . 1]" 1
105 1 8 LYS QG 1 12 CYS HB3 . . 3.800 3.246 2.149 3.838 0.038 10 0 "[ . 1]" 1
106 1 9 PRO HA 1 10 HIS H . . 3.980 3.476 3.472 3.479 . 0 0 "[ . 1]" 1
107 1 9 PRO HA 1 10 HIS HA . . 3.020 1.495 1.465 1.553 . 0 0 "[ . 1]" 1
108 1 9 PRO HA 1 11 ASN H . . 3.140 3.251 1.896 3.416 0.276 8 0 "[ . 1]" 1
109 1 9 PRO HB2 1 10 HIS H . . 4.570 4.167 3.789 4.225 . 0 0 "[ . 1]" 1
110 1 10 HIS H 1 10 HIS HB2 . . 3.090 2.535 2.316 2.571 . 0 0 "[ . 1]" 1
111 1 10 HIS H 1 10 HIS HB3 . . 3.500 3.627 3.563 3.639 0.139 6 0 "[ . 1]" 1
112 1 10 HIS H 1 10 HIS HD2 . . 4.110 3.893 3.705 4.169 0.059 10 0 "[ . 1]" 1
113 1 10 HIS H 1 11 ASN H . . 4.530 4.252 4.122 4.318 . 0 0 "[ . 1]" 1
114 1 10 HIS H 1 66 HIS H . . 3.450 2.506 2.183 3.034 . 0 0 "[ . 1]" 1
115 1 10 HIS H 1 66 HIS HA . . 3.970 3.715 2.731 4.004 0.034 9 0 "[ . 1]" 1
116 1 10 HIS HA 1 11 ASN H . . 2.840 2.155 2.141 2.195 . 0 0 "[ . 1]" 1
117 1 10 HIS HA 1 65 CYS QB . . 3.350 6.127 5.654 6.559 3.209 10 10 [********-+] 1
118 1 10 HIS HA 1 66 HIS H . . 4.890 4.501 4.218 4.807 . 0 0 "[ . 1]" 1
119 1 10 HIS HB2 1 11 ASN H . . 4.390 4.433 4.378 4.570 0.180 10 0 "[ . 1]" 1
120 1 10 HIS HB2 1 66 HIS H . . 3.480 3.141 2.640 3.435 . 0 0 "[ . 1]" 1
121 1 10 HIS HB3 1 11 ASN H . . 3.930 3.469 3.335 3.905 . 0 0 "[ . 1]" 1
122 1 10 HIS HB3 1 66 HIS H . . 3.980 3.841 3.337 3.982 0.002 3 0 "[ . 1]" 1
123 1 11 ASN H 1 11 ASN HA . . 2.810 2.276 2.273 2.284 . 0 0 "[ . 1]" 1
124 1 11 ASN H 1 11 ASN QB . . 3.790 2.971 2.921 3.039 . 0 0 "[ . 1]" 1
125 1 11 ASN H 1 12 CYS H . . 3.400 2.685 2.470 3.029 . 0 0 "[ . 1]" 1
126 1 11 ASN HA 1 12 CYS H . . 3.480 2.815 2.399 3.036 . 0 0 "[ . 1]" 1
127 1 11 ASN HA 1 61 ILE QG . . 3.120 3.889 3.581 4.680 1.560 6 8 "[*-***+ **1]" 1
128 1 11 ASN QB 1 66 HIS H . . 4.530 3.724 3.483 3.970 . 0 0 "[ . 1]" 1
129 1 11 ASN QD 1 61 ILE H . . 4.320 3.295 3.109 3.582 . 0 0 "[ . 1]" 1
130 1 11 ASN QD 1 61 ILE QG . . 4.610 2.190 1.890 3.642 . 0 0 "[ . 1]" 1
131 1 11 ASN QD 1 64 LYS H . . 4.330 3.819 3.657 3.883 . 0 0 "[ . 1]" 1
132 1 12 CYS H 1 12 CYS HB2 . . 3.400 2.770 2.256 3.074 . 0 0 "[ . 1]" 1
133 1 12 CYS H 1 12 CYS HB3 . . 3.840 3.735 3.503 3.915 0.075 10 0 "[ . 1]" 1
134 1 12 CYS HA 1 13 VAL H . . 2.940 2.356 2.239 2.496 . 0 0 "[ . 1]" 1
135 1 12 CYS HA 1 13 VAL HB . . 3.950 5.612 5.570 5.678 1.728 2 10 [*+*******-] 1
136 1 12 CYS HB2 1 13 VAL H . . 3.780 3.553 3.333 3.812 0.032 4 0 "[ . 1]" 1
137 1 12 CYS HB3 1 13 VAL H . . 3.250 2.689 2.304 2.920 . 0 0 "[ . 1]" 1
138 1 13 VAL H 1 13 VAL HB . . 4.090 3.640 3.609 3.687 . 0 0 "[ . 1]" 1
139 1 13 VAL H 1 13 VAL QG . . 2.870 1.933 1.812 2.057 . 0 0 "[ . 1]" 1
140 1 13 VAL H 1 60 ARG HE . . 4.080 3.845 2.727 4.133 0.053 10 0 "[ . 1]" 1
141 1 13 VAL HA 1 14 TYR H . . 3.120 2.300 2.221 2.327 . 0 0 "[ . 1]" 1
142 1 13 VAL HB 1 14 TYR H . . 3.070 2.807 2.708 3.042 . 0 0 "[ . 1]" 1
143 1 13 VAL HB 1 47 ALA MB . . 2.990 2.125 1.817 2.561 . 0 0 "[ . 1]" 1
144 1 13 VAL QG 1 15 GLU H . . 3.990 3.079 2.817 3.427 . 0 0 "[ . 1]" 1
145 1 13 VAL QG 1 15 GLU QB . . 3.490 3.227 2.966 3.492 0.002 2 0 "[ . 1]" 1
146 1 13 VAL QG 1 27 LEU QD . . 3.160 5.770 5.605 5.997 2.837 4 10 [**-+******] 1
147 1 13 VAL QG 1 44 TYR HA . . 3.340 4.789 4.671 4.983 1.643 4 10 [***+**-***] 1
148 1 13 VAL QG 1 44 TYR QD . . 3.700 2.791 2.200 3.518 . 0 0 "[ . 1]" 1
149 1 13 VAL QG 1 47 ALA MB . . 2.950 2.327 1.852 2.841 . 0 0 "[ . 1]" 1
150 1 13 VAL QG 1 60 ARG HB2 . . 3.420 2.648 2.135 3.155 . 0 0 "[ . 1]" 1
151 1 13 VAL QG 1 60 ARG HE . . 4.380 1.778 1.665 1.913 . 0 0 "[ . 1]" 1
152 1 14 TYR H 1 14 TYR HB2 . . 3.410 2.244 2.233 2.292 . 0 0 "[ . 1]" 1
153 1 14 TYR H 1 47 ALA MB . . 4.330 3.353 3.107 3.542 . 0 0 "[ . 1]" 1
154 1 14 TYR H 1 48 CYS H . . 4.170 3.050 2.730 3.408 . 0 0 "[ . 1]" 1
155 1 14 TYR HA 1 15 GLU H . . 2.590 2.224 2.184 2.275 . 0 0 "[ . 1]" 1
156 1 14 TYR HB2 1 27 LEU QD . . 3.560 3.074 2.885 3.442 . 0 0 "[ . 1]" 1
157 1 14 TYR HB3 1 27 LEU QD . . 3.360 2.376 2.213 2.572 . 0 0 "[ . 1]" 1
158 1 15 GLU HA 1 16 CYS H . . 3.020 2.170 2.139 2.188 . 0 0 "[ . 1]" 1
159 1 15 GLU HA 1 47 ALA HA . . 3.090 2.782 2.553 3.007 . 0 0 "[ . 1]" 1
160 1 15 GLU HA 1 48 CYS H . . 3.760 3.796 3.772 3.816 0.056 7 0 "[ . 1]" 1
161 1 16 CYS H 1 46 ASN HB2 . . 4.630 4.163 3.759 4.649 0.019 10 0 "[ . 1]" 1
162 1 16 CYS H 1 46 ASN HB3 . . 4.860 2.992 2.509 3.449 . 0 0 "[ . 1]" 1
163 1 16 CYS H 1 47 ALA HA . . 3.840 3.861 3.792 3.881 0.041 6 0 "[ . 1]" 1
164 1 16 CYS HA 1 17 TYR H . . 3.170 2.257 2.148 2.490 . 0 0 "[ . 1]" 1
165 1 16 CYS HA 1 18 ASN H . . 4.170 3.947 3.640 4.190 0.020 8 0 "[ . 1]" 1
166 1 16 CYS HB2 1 17 TYR H . . 3.700 2.981 2.300 3.374 . 0 0 "[ . 1]" 1
167 1 16 CYS HB2 1 18 ASN H . . 4.470 3.231 2.582 3.851 . 0 0 "[ . 1]" 1
168 1 17 TYR H 1 18 ASN H . . 3.100 2.173 1.790 2.503 . 0 0 "[ . 1]" 1
169 1 17 TYR HA 1 18 ASN H . . 3.920 3.390 2.987 3.526 . 0 0 "[ . 1]" 1
170 1 17 TYR QB 1 23 TYR QD . . 3.860 3.278 2.831 3.668 . 0 0 "[ . 1]" 1
171 1 17 TYR QB 1 23 TYR QE . . 3.790 3.257 2.860 3.800 0.010 9 0 "[ . 1]" 1
172 1 18 ASN H 1 18 ASN HB2 . . 3.480 2.872 2.583 3.112 . 0 0 "[ . 1]" 1
173 1 18 ASN H 1 18 ASN HB3 . . 3.440 3.050 2.850 3.222 . 0 0 "[ . 1]" 1
174 1 18 ASN HA 1 19 PRO HD2 . . 2.890 2.082 1.966 2.298 . 0 0 "[ . 1]" 1
175 1 18 ASN HA 1 19 PRO HD3 . . 2.940 2.614 2.268 2.892 . 0 0 "[ . 1]" 1
176 1 18 ASN HA 1 20 LYS H . . 4.240 3.570 3.213 4.134 . 0 0 "[ . 1]" 1
177 1 18 ASN HB2 1 18 ASN HD21 . . 3.520 2.739 2.251 3.472 . 0 0 "[ . 1]" 1
178 1 18 ASN HB3 1 20 LYS H . . 4.590 4.158 3.163 4.606 0.016 1 0 "[ . 1]" 1
179 1 18 ASN HB3 1 21 GLY H . . 4.070 3.459 3.106 3.827 . 0 0 "[ . 1]" 1
180 1 19 PRO HA 1 20 LYS H . . 3.920 3.504 3.465 3.533 . 0 0 "[ . 1]" 1
181 1 19 PRO HA 1 21 GLY H . . 4.490 3.845 3.586 4.363 . 0 0 "[ . 1]" 1
182 1 19 PRO HA 1 38 CYS HB3 . . 3.320 2.557 1.995 3.296 . 0 0 "[ . 1]" 1
183 1 19 PRO HB3 1 20 LYS H . . 4.150 4.192 4.108 4.284 0.134 7 0 "[ . 1]" 1
184 1 19 PRO HD2 1 20 LYS H . . 3.700 2.660 2.646 2.699 . 0 0 "[ . 1]" 1
185 1 19 PRO HD3 1 20 LYS H . . 4.440 3.846 3.835 3.870 . 0 0 "[ . 1]" 1
186 1 19 PRO QG 1 20 LYS H . . 4.060 2.461 2.284 2.669 . 0 0 "[ . 1]" 1
187 1 20 LYS H 1 20 LYS HB2 . . 3.190 2.322 2.233 2.568 . 0 0 "[ . 1]" 1
188 1 20 LYS H 1 20 LYS HB3 . . 3.680 3.546 3.490 3.666 . 0 0 "[ . 1]" 1
189 1 20 LYS H 1 20 LYS HG2 . . 3.770 3.343 2.392 3.800 0.030 1 0 "[ . 1]" 1
190 1 20 LYS H 1 20 LYS HG3 . . 4.300 3.750 2.400 4.381 0.081 1 0 "[ . 1]" 1
191 1 20 LYS H 1 21 GLY H . . 3.060 2.586 2.186 2.763 . 0 0 "[ . 1]" 1
192 1 20 LYS HA 1 21 GLY H . . 3.400 3.136 2.995 3.458 0.058 6 0 "[ . 1]" 1
193 1 20 LYS HB2 1 21 GLY H . . 4.190 3.764 3.002 4.095 . 0 0 "[ . 1]" 1
194 1 20 LYS HB3 1 21 GLY H . . 4.060 4.193 3.917 4.314 0.254 1 0 "[ . 1]" 1
195 1 21 GLY H 1 21 GLY HA3 . . 3.000 2.479 2.319 2.617 . 0 0 "[ . 1]" 1
196 1 21 GLY H 1 22 SER H . . 4.370 4.440 4.383 4.506 0.136 3 0 "[ . 1]" 1
197 1 21 GLY HA2 1 22 SER H . . 3.000 2.462 2.157 2.628 . 0 0 "[ . 1]" 1
198 1 21 GLY HA3 1 22 SER H . . 3.160 2.711 2.498 3.137 . 0 0 "[ . 1]" 1
199 1 21 GLY HA3 1 23 TYR H . . 3.740 3.136 3.068 3.204 . 0 0 "[ . 1]" 1
200 1 22 SER H 1 23 TYR H . . 2.870 2.829 2.766 2.883 0.013 9 0 "[ . 1]" 1
201 1 22 SER HA 1 23 TYR H . . 3.560 2.965 2.935 2.987 . 0 0 "[ . 1]" 1
202 1 22 SER HA 1 25 ASN H . . 3.890 3.239 3.166 3.397 . 0 0 "[ . 1]" 1
203 1 22 SER HA 1 26 ASP H . . 4.920 4.129 3.532 4.528 . 0 0 "[ . 1]" 1
204 1 23 TYR H 1 23 TYR HA . . 2.990 2.793 2.719 2.819 . 0 0 "[ . 1]" 1
205 1 23 TYR H 1 23 TYR HB2 . . 2.830 2.469 2.227 2.708 . 0 0 "[ . 1]" 1
206 1 23 TYR H 1 23 TYR HB3 . . 2.860 2.606 2.367 2.881 0.021 9 0 "[ . 1]" 1
207 1 23 TYR H 1 24 CYS H . . 3.620 2.908 2.653 3.090 . 0 0 "[ . 1]" 1
208 1 23 TYR HA 1 24 CYS H . . 4.310 3.559 3.535 3.570 . 0 0 "[ . 1]" 1
209 1 23 TYR HA 1 26 ASP H . . 4.260 3.987 3.770 4.259 . 0 0 "[ . 1]" 1
210 1 23 TYR HA 1 27 LEU H . . 4.330 4.215 4.123 4.288 . 0 0 "[ . 1]" 1
211 1 23 TYR HB2 1 24 CYS H . . 4.010 3.628 3.420 3.987 . 0 0 "[ . 1]" 1
212 1 23 TYR HB3 1 24 CYS H . . 3.420 2.228 1.919 2.667 . 0 0 "[ . 1]" 1
213 1 24 CYS H 1 24 CYS QB . . 3.610 2.250 2.237 2.256 . 0 0 "[ . 1]" 1
214 1 24 CYS H 1 25 ASN H . . 3.420 2.666 2.595 2.766 . 0 0 "[ . 1]" 1
215 1 24 CYS HA 1 25 ASN H . . 4.050 3.527 3.500 3.551 . 0 0 "[ . 1]" 1
216 1 24 CYS HA 1 27 LEU H . . 3.720 3.699 3.632 3.750 0.030 6 0 "[ . 1]" 1
217 1 24 CYS HA 1 27 LEU QD . . 3.770 3.013 2.924 3.115 . 0 0 "[ . 1]" 1
218 1 24 CYS HA 1 28 CYS H . . 4.390 3.846 3.735 4.063 . 0 0 "[ . 1]" 1
219 1 24 CYS QB 1 25 ASN H . . 3.720 2.629 2.469 2.782 . 0 0 "[ . 1]" 1
220 1 24 CYS QB 1 38 CYS H . . 4.580 2.994 2.841 3.104 . 0 0 "[ . 1]" 1
221 1 25 ASN H 1 25 ASN QB . . 3.000 2.138 2.130 2.159 . 0 0 "[ . 1]" 1
222 1 25 ASN H 1 37 TYR HA . . 4.350 3.332 3.038 3.654 . 0 0 "[ . 1]" 1
223 1 25 ASN HA 1 26 ASP H . . 4.050 3.567 3.562 3.570 . 0 0 "[ . 1]" 1
224 1 25 ASN HA 1 28 CYS QB . . 3.440 2.498 2.397 2.632 . 0 0 "[ . 1]" 1
225 1 25 ASN HA 1 36 GLY H . . 3.110 2.703 2.577 2.889 . 0 0 "[ . 1]" 1
226 1 25 ASN QB 1 25 ASN HD22 . . 3.620 3.323 3.276 3.382 . 0 0 "[ . 1]" 1
227 1 25 ASN QB 1 36 GLY H . . 3.830 3.564 3.508 3.598 . 0 0 "[ . 1]" 1
228 1 25 ASN HD21 1 26 ASP H . . 4.390 3.643 3.549 3.773 . 0 0 "[ . 1]" 1
229 1 25 ASN HD21 1 26 ASP HA . . 4.290 3.496 3.404 3.621 . 0 0 "[ . 1]" 1
230 1 25 ASN HD21 1 29 THR MG . . 4.060 2.463 2.042 2.866 . 0 0 "[ . 1]" 1
231 1 25 ASN HD22 1 29 THR MG . . 3.680 2.859 2.544 3.105 . 0 0 "[ . 1]" 1
232 1 26 ASP H 1 26 ASP QB . . 3.040 2.280 2.215 2.382 . 0 0 "[ . 1]" 1
233 1 26 ASP H 1 27 LEU H . . 3.280 2.861 2.832 2.890 . 0 0 "[ . 1]" 1
234 1 26 ASP HA 1 27 LEU H . . 3.860 3.562 3.554 3.565 . 0 0 "[ . 1]" 1
235 1 26 ASP QB 1 27 LEU H . . 3.160 2.434 2.346 2.463 . 0 0 "[ . 1]" 1
236 1 27 LEU H 1 27 LEU QB . . 2.950 2.101 2.093 2.111 . 0 0 "[ . 1]" 1
237 1 27 LEU H 1 27 LEU QD . . 4.020 3.703 3.701 3.704 . 0 0 "[ . 1]" 1
238 1 27 LEU H 1 28 CYS H . . 3.290 2.699 2.645 2.734 . 0 0 "[ . 1]" 1
239 1 27 LEU HA 1 27 LEU QD . . 2.790 2.227 2.199 2.251 . 0 0 "[ . 1]" 1
240 1 27 LEU HA 1 28 CYS H . . 4.070 3.521 3.513 3.527 . 0 0 "[ . 1]" 1
241 1 27 LEU HA 1 30 GLU H . . 3.840 3.529 3.460 3.645 . 0 0 "[ . 1]" 1
242 1 27 LEU HA 1 31 ASN QD . . 4.510 3.828 3.296 4.113 . 0 0 "[ . 1]" 1
243 1 27 LEU QB 1 28 CYS H . . 3.190 2.852 2.817 2.889 . 0 0 "[ . 1]" 1
244 1 27 LEU QD 1 28 CYS H . . 4.220 3.642 3.611 3.671 . 0 0 "[ . 1]" 1
245 1 27 LEU QD 1 31 ASN QD . . 3.650 2.221 2.065 2.361 . 0 0 "[ . 1]" 1
246 1 27 LEU QD 1 48 CYS QB . . 3.800 2.824 2.649 2.960 . 0 0 "[ . 1]" 1
247 1 27 LEU HG 1 28 CYS H . . 3.940 3.097 3.059 3.139 . 0 0 "[ . 1]" 1
248 1 27 LEU HG 1 31 ASN H . . 4.370 5.833 5.749 5.974 1.604 7 10 [******+**-] 1
249 1 27 LEU HG 1 31 ASN QD . . 4.340 3.964 3.782 4.085 . 0 0 "[ . 1]" 1
250 1 28 CYS H 1 28 CYS QB . . 3.020 2.186 2.133 2.246 . 0 0 "[ . 1]" 1
251 1 28 CYS H 1 29 THR H . . 3.260 2.781 2.748 2.848 . 0 0 "[ . 1]" 1
252 1 28 CYS HA 1 29 THR H . . 4.200 3.564 3.559 3.569 . 0 0 "[ . 1]" 1
253 1 28 CYS HA 1 31 ASN H . . 4.100 3.953 3.893 4.094 . 0 0 "[ . 1]" 1
254 1 28 CYS HA 1 31 ASN QB . . 3.710 3.843 3.628 3.996 0.286 2 0 "[ . 1]" 1
255 1 28 CYS HA 1 31 ASN QD . . 4.550 3.476 3.183 3.730 . 0 0 "[ . 1]" 1
256 1 28 CYS HA 1 33 ALA MB . . 3.840 3.473 3.228 3.841 0.001 4 0 "[ . 1]" 1
257 1 28 CYS QB 1 29 THR H . . 3.260 2.421 2.349 2.461 . 0 0 "[ . 1]" 1
258 1 28 CYS QB 1 36 GLY H . . 4.240 3.822 3.708 3.933 . 0 0 "[ . 1]" 1
259 1 28 CYS QB 1 50 CYS QB . . 3.650 2.345 2.177 2.492 . 0 0 "[ . 1]" 1
260 1 28 CYS QB 1 51 ILE H . . 3.960 3.538 3.431 3.700 . 0 0 "[ . 1]" 1
261 1 29 THR H 1 29 THR HB . . 3.390 3.554 3.547 3.591 0.201 7 0 "[ . 1]" 1
262 1 29 THR H 1 29 THR HG1 . . 3.380 2.872 2.725 3.382 0.002 1 0 "[ . 1]" 1
263 1 29 THR H 1 29 THR MG . . 2.920 1.897 1.812 2.627 . 0 0 "[ . 1]" 1
264 1 29 THR H 1 30 GLU H . . 3.110 2.626 2.618 2.631 . 0 0 "[ . 1]" 1
265 1 29 THR HA 1 30 GLU H . . 3.930 3.475 3.458 3.511 . 0 0 "[ . 1]" 1
266 1 29 THR HA 1 31 ASN H . . 4.080 3.570 3.473 3.621 . 0 0 "[ . 1]" 1
267 1 29 THR HA 1 32 GLY H . . 3.560 3.674 3.627 3.757 0.197 7 0 "[ . 1]" 1
268 1 29 THR HA 1 33 ALA H . . 3.050 2.307 2.101 2.672 . 0 0 "[ . 1]" 1
269 1 29 THR HA 1 33 ALA MB . . 3.210 2.189 2.094 2.284 . 0 0 "[ . 1]" 1
270 1 29 THR MG 1 30 GLU H . . 4.060 3.631 3.512 4.140 0.080 7 0 "[ . 1]" 1
271 1 29 THR MG 1 31 ASN H . . 4.350 4.979 4.930 5.015 0.665 7 10 [***-**+***] 1
272 1 29 THR MG 1 35 SER H . . 4.130 3.533 2.646 3.956 . 0 0 "[ . 1]" 1
273 1 29 THR MG 1 35 SER HA . . 2.970 2.392 1.924 2.736 . 0 0 "[ . 1]" 1
274 1 29 THR MG 1 36 GLY H . . 4.070 3.837 3.414 4.106 0.036 1 0 "[ . 1]" 1
275 1 30 GLU H 1 30 GLU HA . . 2.910 2.785 2.773 2.797 . 0 0 "[ . 1]" 1
276 1 30 GLU H 1 31 ASN H . . 3.020 2.688 2.655 2.720 . 0 0 "[ . 1]" 1
277 1 30 GLU H 1 32 GLY H . . 4.330 4.299 4.257 4.350 0.020 7 0 "[ . 1]" 1
278 1 30 GLU HA 1 31 ASN H . . 3.550 3.435 3.419 3.444 . 0 0 "[ . 1]" 1
279 1 31 ASN H 1 31 ASN QB . . 2.900 2.453 2.437 2.467 . 0 0 "[ . 1]" 1
280 1 31 ASN H 1 31 ASN QD . . 3.650 1.980 1.954 2.038 . 0 0 "[ . 1]" 1
281 1 31 ASN H 1 32 GLY H . . 3.000 2.605 2.596 2.619 . 0 0 "[ . 1]" 1
282 1 31 ASN H 1 33 ALA H . . 3.960 3.234 2.973 4.180 0.220 4 0 "[ . 1]" 1
283 1 31 ASN HA 1 32 GLY H . . 3.600 3.023 3.011 3.032 . 0 0 "[ . 1]" 1
284 1 31 ASN QB 1 32 GLY H . . 4.270 3.710 3.702 3.719 . 0 0 "[ . 1]" 1
285 1 31 ASN QB 1 53 LEU QD . . 3.080 2.453 2.056 2.755 . 0 0 "[ . 1]" 1
286 1 31 ASN QB 1 57 VAL QG . . 3.290 1.839 1.697 2.111 . 0 0 "[ . 1]" 1
287 1 32 GLY H 1 32 GLY HA2 . . 3.140 2.340 2.326 2.369 . 0 0 "[ . 1]" 1
288 1 32 GLY H 1 32 GLY HA3 . . 2.850 2.906 2.894 2.930 0.080 2 0 "[ . 1]" 1
289 1 32 GLY H 1 33 ALA H . . 3.150 2.525 2.386 2.801 . 0 0 "[ . 1]" 1
290 1 32 GLY HA2 1 33 ALA H . . 3.670 3.048 2.472 3.386 . 0 0 "[ . 1]" 1
291 1 32 GLY HA3 1 33 ALA H . . 3.640 3.373 3.149 3.561 . 0 0 "[ . 1]" 1
292 1 33 ALA H 1 33 ALA MB . . 3.000 2.276 2.038 2.679 . 0 0 "[ . 1]" 1
293 1 33 ALA H 1 53 LEU QD . . 3.950 3.047 2.373 3.683 . 0 0 "[ . 1]" 1
294 1 33 ALA HA 1 34 GLU H . . 3.150 2.303 2.258 2.389 . 0 0 "[ . 1]" 1
295 1 33 ALA HA 1 35 SER H . . 4.410 4.118 4.005 4.338 . 0 0 "[ . 1]" 1
296 1 33 ALA MB 1 34 GLU H . . 3.310 2.712 2.574 2.776 . 0 0 "[ . 1]" 1
297 1 33 ALA MB 1 34 GLU QG . . 2.780 5.403 4.269 5.649 2.869 8 10 [******-+**] 1
298 1 33 ALA MB 1 35 SER H . . 3.390 2.787 2.661 2.887 . 0 0 "[ . 1]" 1
299 1 33 ALA MB 1 50 CYS QB . . 3.150 2.234 2.117 2.521 . 0 0 "[ . 1]" 1
300 1 33 ALA MB 1 51 ILE H . . 3.740 3.406 3.224 3.574 . 0 0 "[ . 1]" 1
301 1 33 ALA MB 1 53 LEU HA . . 3.280 2.816 2.494 3.050 . 0 0 "[ . 1]" 1
302 1 33 ALA MB 1 53 LEU QD . . 2.870 1.680 1.623 1.711 . 0 0 "[ . 1]" 1
303 1 33 ALA MB 1 54 PRO HD3 . . 4.000 3.975 3.847 4.038 0.038 8 0 "[ . 1]" 1
304 1 34 GLU H 1 35 SER H . . 3.100 2.423 2.246 2.522 . 0 0 "[ . 1]" 1
305 1 34 GLU HA 1 35 SER H . . 3.570 3.496 3.455 3.532 . 0 0 "[ . 1]" 1
306 1 35 SER H 1 35 SER HB3 . . 4.160 3.922 3.822 4.038 . 0 0 "[ . 1]" 1
307 1 35 SER H 1 51 ILE H . . 3.640 3.040 2.921 3.242 . 0 0 "[ . 1]" 1
308 1 35 SER H 1 51 ILE MG . . 4.040 3.995 3.809 4.053 0.013 1 0 "[ . 1]" 1
309 1 35 SER HA 1 36 GLY H . . 2.930 2.586 2.559 2.636 . 0 0 "[ . 1]" 1
310 1 35 SER HB3 1 36 GLY H . . 2.880 2.104 1.978 2.218 . 0 0 "[ . 1]" 1
311 1 36 GLY QA 1 37 TYR H . . 3.460 2.211 2.142 2.237 . 0 0 "[ . 1]" 1
312 1 36 GLY QA 1 50 CYS HA . . 3.410 2.059 1.988 2.144 . 0 0 "[ . 1]" 1
313 1 36 GLY QA 1 51 ILE H . . 3.780 2.705 2.525 2.782 . 0 0 "[ . 1]" 1
314 1 37 TYR H 1 37 TYR HB3 . . 4.280 3.380 3.129 3.609 . 0 0 "[ . 1]" 1
315 1 37 TYR H 1 37 TYR QD . . 4.210 3.051 1.885 3.539 . 0 0 "[ . 1]" 1
316 1 37 TYR H 1 49 TRP H . . 4.070 3.332 3.072 3.563 . 0 0 "[ . 1]" 1
317 1 37 TYR H 1 49 TRP HB3 . . 4.030 3.393 2.656 3.749 . 0 0 "[ . 1]" 1
318 1 37 TYR H 1 50 CYS HA . . 4.270 3.545 3.446 3.611 . 0 0 "[ . 1]" 1
319 1 37 TYR HA 1 37 TYR QD . . 4.050 3.672 3.497 3.737 . 0 0 "[ . 1]" 1
320 1 37 TYR HA 1 38 CYS H . . 3.410 2.412 2.289 2.512 . 0 0 "[ . 1]" 1
321 1 37 TYR HB2 1 38 CYS H . . 3.590 2.474 2.186 2.749 . 0 0 "[ . 1]" 1
322 1 37 TYR HB3 1 38 CYS H . . 3.990 3.816 3.522 4.012 0.022 3 0 "[ . 1]" 1
323 1 37 TYR QD 1 51 ILE MD . . 3.980 3.043 1.944 3.969 . 0 0 "[ . 1]" 1
324 1 37 TYR QE 1 39 GLN HB2 . . 3.330 3.059 2.001 3.348 0.018 4 0 "[ . 1]" 1
325 1 37 TYR QE 1 49 TRP HD1 . . 3.210 2.590 2.282 3.006 . 0 0 "[ . 1]" 1
326 1 37 TYR QE 1 51 ILE MD . . 3.130 2.519 2.086 3.161 0.031 4 0 "[ . 1]" 1
327 1 38 CYS H 1 38 CYS HB2 . . 3.740 2.638 2.339 2.875 . 0 0 "[ . 1]" 1
328 1 38 CYS H 1 38 CYS HB3 . . 3.570 2.488 2.269 2.829 . 0 0 "[ . 1]" 1
329 1 38 CYS HA 1 39 GLN H . . 3.270 2.144 2.139 2.157 . 0 0 "[ . 1]" 1
330 1 38 CYS HA 1 48 CYS HA . . 3.370 2.839 2.419 3.051 . 0 0 "[ . 1]" 1
331 1 38 CYS HA 1 49 TRP H . . 4.810 3.249 2.940 3.451 . 0 0 "[ . 1]" 1
332 1 39 GLN H 1 39 GLN HB2 . . 3.980 2.767 2.402 3.032 . 0 0 "[ . 1]" 1
333 1 39 GLN H 1 39 GLN HB3 . . 3.890 2.625 2.326 2.888 . 0 0 "[ . 1]" 1
334 1 39 GLN H 1 47 ALA H . . 4.220 3.350 3.184 3.496 . 0 0 "[ . 1]" 1
335 1 39 GLN H 1 48 CYS HA . . 4.550 3.326 3.119 3.487 . 0 0 "[ . 1]" 1
336 1 39 GLN H 1 49 TRP H . . 4.500 3.084 2.879 3.273 . 0 0 "[ . 1]" 1
337 1 39 GLN HA 1 40 ILE H . . 2.860 2.146 2.139 2.159 . 0 0 "[ . 1]" 1
338 1 39 GLN HA 1 46 ASN HD21 . . 4.570 4.585 4.527 4.631 0.061 9 0 "[ . 1]" 1
339 1 39 GLN HB2 1 47 ALA H . . 4.700 4.574 4.118 4.759 0.059 1 0 "[ . 1]" 1
340 1 39 GLN HB3 1 40 ILE H . . 4.860 4.179 3.988 4.429 . 0 0 "[ . 1]" 1
341 1 39 GLN HB3 1 47 ALA H . . 4.590 3.058 2.785 3.304 . 0 0 "[ . 1]" 1
342 1 39 GLN HG2 1 40 ILE H . . 4.160 3.733 2.590 4.192 0.032 5 0 "[ . 1]" 1
343 1 40 ILE H 1 40 ILE HB . . 3.180 2.777 2.357 3.416 0.236 6 0 "[ . 1]" 1
344 1 40 ILE H 1 40 ILE MD . . 4.360 3.055 1.753 4.215 . 0 0 "[ . 1]" 1
345 1 40 ILE H 1 40 ILE QG . . 3.220 2.591 1.879 3.272 0.052 6 0 "[ . 1]" 1
346 1 40 ILE H 1 40 ILE MG . . 3.860 3.589 1.726 3.829 . 0 0 "[ . 1]" 1
347 1 40 ILE H 1 41 LEU H . . 4.370 2.254 2.176 2.391 . 0 0 "[ . 1]" 1
348 1 40 ILE HA 1 40 ILE MD . . 3.250 2.918 2.239 3.303 0.053 9 0 "[ . 1]" 1
349 1 40 ILE HA 1 40 ILE MG . . 3.130 2.277 1.991 2.903 . 0 0 "[ . 1]" 1
350 1 40 ILE HA 1 41 LEU H . . 3.550 3.505 3.458 3.563 0.013 8 0 "[ . 1]" 1
351 1 40 ILE HA 1 46 ASN HA . . 3.320 2.689 2.267 2.869 . 0 0 "[ . 1]" 1
352 1 40 ILE HA 1 47 ALA H . . 4.590 4.161 3.993 4.257 . 0 0 "[ . 1]" 1
353 1 40 ILE MG 1 41 LEU H . . 4.320 3.698 2.791 4.132 . 0 0 "[ . 1]" 1
354 1 41 LEU H 1 42 GLY H . . 4.620 3.356 3.098 3.582 . 0 0 "[ . 1]" 1
355 1 41 LEU HA 1 41 LEU MD2 . . 3.130 2.665 1.940 3.151 0.021 8 0 "[ . 1]" 1
356 1 42 GLY H 1 43 LYS H . . 4.510 4.511 4.372 4.569 0.059 7 0 "[ . 1]" 1
357 1 42 GLY H 1 46 ASN HA . . 4.730 4.140 3.573 4.709 . 0 0 "[ . 1]" 1
358 1 42 GLY HA2 1 43 LYS H . . 3.430 2.273 2.155 2.722 . 0 0 "[ . 1]" 1
359 1 42 GLY HA2 1 44 TYR H . . 4.380 3.910 3.712 4.447 0.067 3 0 "[ . 1]" 1
360 1 42 GLY HA3 1 43 LYS H . . 3.270 2.957 2.413 3.143 . 0 0 "[ . 1]" 1
361 1 42 GLY HA3 1 44 TYR H . . 4.300 3.235 3.181 3.367 . 0 0 "[ . 1]" 1
362 1 42 GLY HA3 1 45 GLY H . . 4.450 3.579 3.417 3.870 . 0 0 "[ . 1]" 1
363 1 43 LYS H 1 44 TYR H . . 3.490 2.619 2.086 2.750 . 0 0 "[ . 1]" 1
364 1 43 LYS HA 1 44 TYR H . . 4.060 3.460 3.450 3.473 . 0 0 "[ . 1]" 1
365 1 43 LYS HA 1 45 GLY H . . 4.420 3.817 3.604 3.903 . 0 0 "[ . 1]" 1
366 1 43 LYS QD 1 44 TYR QE . . 3.400 3.073 2.144 3.439 0.039 5 0 "[ . 1]" 1
367 1 44 TYR H 1 44 TYR QB . . 3.480 2.811 2.778 2.824 . 0 0 "[ . 1]" 1
368 1 44 TYR H 1 44 TYR QD . . 3.690 2.597 2.336 3.119 . 0 0 "[ . 1]" 1
369 1 44 TYR H 1 45 GLY H . . 2.990 2.539 2.481 2.686 . 0 0 "[ . 1]" 1
370 1 44 TYR HA 1 45 GLY H . . 3.490 3.002 2.995 3.008 . 0 0 "[ . 1]" 1
371 1 45 GLY H 1 45 GLY HA3 . . 2.970 2.924 2.922 2.926 . 0 0 "[ . 1]" 1
372 1 45 GLY HA2 1 46 ASN H . . 3.240 3.154 3.062 3.514 0.274 10 0 "[ . 1]" 1
373 1 45 GLY HA3 1 46 ASN H . . 3.560 2.180 2.150 2.311 . 0 0 "[ . 1]" 1
374 1 46 ASN H 1 46 ASN HB2 . . 3.700 2.315 2.181 2.695 . 0 0 "[ . 1]" 1
375 1 46 ASN H 1 46 ASN HB3 . . 4.070 3.547 3.397 3.674 . 0 0 "[ . 1]" 1
376 1 46 ASN HA 1 47 ALA H . . 3.140 2.145 2.139 2.161 . 0 0 "[ . 1]" 1
377 1 46 ASN HB3 1 47 ALA H . . 4.220 3.595 3.350 3.761 . 0 0 "[ . 1]" 1
378 1 47 ALA H 1 47 ALA MB . . 3.600 2.543 2.473 2.692 . 0 0 "[ . 1]" 1
379 1 47 ALA HA 1 48 CYS H . . 2.690 2.237 2.192 2.279 . 0 0 "[ . 1]" 1
380 1 47 ALA MB 1 48 CYS H . . 3.120 2.808 2.690 2.992 . 0 0 "[ . 1]" 1
381 1 48 CYS H 1 48 CYS QB . . 3.080 2.238 2.176 2.256 . 0 0 "[ . 1]" 1
382 1 48 CYS HA 1 49 TRP H . . 3.250 2.150 2.139 2.157 . 0 0 "[ . 1]" 1
383 1 48 CYS QB 1 49 TRP H . . 4.430 3.867 3.545 3.931 . 0 0 "[ . 1]" 1
384 1 49 TRP H 1 49 TRP HB2 . . 3.910 2.843 2.698 2.918 . 0 0 "[ . 1]" 1
385 1 49 TRP H 1 49 TRP HB3 . . 3.750 2.465 2.403 2.587 . 0 0 "[ . 1]" 1
386 1 49 TRP HA 1 49 TRP HE3 . . 3.630 3.251 2.984 3.417 . 0 0 "[ . 1]" 1
387 1 49 TRP HA 1 50 CYS H . . 3.100 2.147 2.140 2.181 . 0 0 "[ . 1]" 1
388 1 49 TRP HB2 1 49 TRP HD1 . . 3.940 3.831 3.781 3.856 . 0 0 "[ . 1]" 1
389 1 49 TRP HB2 1 49 TRP HE3 . . 3.390 2.537 2.484 2.639 . 0 0 "[ . 1]" 1
390 1 49 TRP HB3 1 49 TRP HD1 . . 3.370 2.696 2.626 2.744 . 0 0 "[ . 1]" 1
391 1 49 TRP HD1 1 51 ILE MD . . 3.100 2.229 1.783 2.755 . 0 0 "[ . 1]" 1
392 1 49 TRP HD1 1 51 ILE HG12 . . 4.070 3.339 2.384 3.959 . 0 0 "[ . 1]" 1
393 1 49 TRP HD1 1 51 ILE HG13 . . 4.180 3.254 2.848 3.807 . 0 0 "[ . 1]" 1
394 1 49 TRP HE1 1 51 ILE MD . . 3.290 2.575 1.762 3.258 . 0 0 "[ . 1]" 1
395 1 49 TRP HE1 1 51 ILE QG . . 4.740 2.528 1.985 3.286 . 0 0 "[ . 1]" 1
396 1 50 CYS H 1 50 CYS QB . . 3.390 2.572 2.524 2.677 . 0 0 "[ . 1]" 1
397 1 50 CYS HA 1 51 ILE H . . 2.820 2.213 2.178 2.225 . 0 0 "[ . 1]" 1
398 1 50 CYS QB 1 51 ILE H . . 3.640 2.901 2.857 3.038 . 0 0 "[ . 1]" 1
399 1 51 ILE H 1 51 ILE HB . . 2.940 2.521 2.466 2.574 . 0 0 "[ . 1]" 1
400 1 51 ILE H 1 51 ILE MG . . 3.680 3.793 3.770 3.821 0.141 1 0 "[ . 1]" 1
401 1 51 ILE HA 1 51 ILE MD . . 3.200 2.798 2.224 3.195 . 0 0 "[ . 1]" 1
402 1 51 ILE HA 1 51 ILE MG . . 2.840 2.381 2.321 2.483 . 0 0 "[ . 1]" 1
403 1 51 ILE HA 1 52 GLN H . . 3.040 2.180 2.161 2.197 . 0 0 "[ . 1]" 1
404 1 51 ILE HB 1 52 GLN H . . 4.030 4.116 4.063 4.149 0.119 3 0 "[ . 1]" 1
405 1 51 ILE HB 1 53 LEU QD . . 3.540 6.092 5.947 6.202 2.662 6 10 [*****+***-] 1
406 1 51 ILE MG 1 52 GLN H . . 3.570 2.294 2.093 2.464 . 0 0 "[ . 1]" 1
407 1 51 ILE MG 1 52 GLN HG2 . . 3.090 2.581 1.898 2.777 . 0 0 "[ . 1]" 1
408 1 51 ILE MG 1 52 GLN HG3 . . 3.180 3.041 2.442 3.159 . 0 0 "[ . 1]" 1
409 1 52 GLN H 1 52 GLN HA . . 3.050 2.275 2.275 2.277 . 0 0 "[ . 1]" 1
410 1 52 GLN H 1 52 GLN HE21 . . 4.010 3.880 3.325 3.984 . 0 0 "[ . 1]" 1
411 1 52 GLN H 1 52 GLN HG2 . . 3.660 3.069 2.684 3.163 . 0 0 "[ . 1]" 1
412 1 52 GLN H 1 53 LEU H . . 3.870 2.644 2.564 2.685 . 0 0 "[ . 1]" 1
413 1 52 GLN H 1 53 LEU QB . . 4.470 4.279 4.252 4.303 . 0 0 "[ . 1]" 1
414 1 52 GLN HA 1 53 LEU H . . 3.280 2.784 2.733 2.916 . 0 0 "[ . 1]" 1
415 1 52 GLN QB 1 53 LEU H . . 4.340 3.853 3.778 3.877 . 0 0 "[ . 1]" 1
416 1 53 LEU H 1 53 LEU QB . . 3.230 2.274 2.258 2.282 . 0 0 "[ . 1]" 1
417 1 53 LEU HA 1 53 LEU QD . . 3.220 1.939 1.904 1.963 . 0 0 "[ . 1]" 1
418 1 53 LEU HA 1 54 PRO HD2 . . 3.010 2.131 2.103 2.164 . 0 0 "[ . 1]" 1
419 1 53 LEU QB 1 55 ASP H . . 4.110 5.874 5.819 5.908 1.798 4 10 [*-*+******] 1
420 1 53 LEU QD 1 54 PRO HD2 . . 3.370 1.926 1.877 2.096 . 0 0 "[ . 1]" 1
421 1 53 LEU QD 1 57 VAL QG . . 3.220 2.024 1.910 2.195 . 0 0 "[ . 1]" 1
422 1 53 LEU HG 1 57 VAL H . . 4.450 3.956 3.884 4.041 . 0 0 "[ . 1]" 1
423 1 54 PRO HA 1 55 ASP H . . 2.650 2.224 2.211 2.247 . 0 0 "[ . 1]" 1
424 1 54 PRO HA 1 56 ASN H . . 4.150 3.665 3.646 3.698 . 0 0 "[ . 1]" 1
425 1 54 PRO HB2 1 55 ASP H . . 4.010 3.137 3.051 3.183 . 0 0 "[ . 1]" 1
426 1 54 PRO HB2 1 56 ASN H . . 3.690 2.158 2.137 2.178 . 0 0 "[ . 1]" 1
427 1 54 PRO HB2 1 57 VAL H . . 4.300 3.437 3.320 3.612 . 0 0 "[ . 1]" 1
428 1 54 PRO HB2 1 57 VAL QG . . 3.350 3.364 3.351 3.378 0.028 7 0 "[ . 1]" 1
429 1 54 PRO HB3 1 55 ASP H . . 3.770 3.747 3.695 3.775 0.005 1 0 "[ . 1]" 1
430 1 54 PRO HB3 1 56 ASN H . . 3.960 3.814 3.808 3.826 . 0 0 "[ . 1]" 1
431 1 54 PRO HD2 1 57 VAL QG . . 3.310 2.330 2.209 2.423 . 0 0 "[ . 1]" 1
432 1 54 PRO HG2 1 57 VAL QG . . 3.760 1.776 1.760 1.833 . 0 0 "[ . 1]" 1
433 1 55 ASP H 1 55 ASP HB2 . . 3.080 2.321 2.205 2.464 . 0 0 "[ . 1]" 1
434 1 55 ASP H 1 56 ASN H . . 3.360 2.669 2.659 2.681 . 0 0 "[ . 1]" 1
435 1 55 ASP HA 1 56 ASN H . . 3.830 3.317 3.306 3.339 . 0 0 "[ . 1]" 1
436 1 55 ASP HA 1 57 VAL H . . 4.370 3.797 3.707 3.942 . 0 0 "[ . 1]" 1
437 1 55 ASP HB2 1 56 ASN H . . 3.670 3.473 3.413 3.533 . 0 0 "[ . 1]" 1
438 1 55 ASP HB3 1 56 ASN H . . 4.210 4.081 3.953 4.213 0.003 6 0 "[ . 1]" 1
439 1 56 ASN H 1 56 ASN QB . . 3.350 2.420 2.235 2.621 . 0 0 "[ . 1]" 1
440 1 56 ASN H 1 57 VAL H . . 3.050 2.427 2.395 2.458 . 0 0 "[ . 1]" 1
441 1 56 ASN H 1 57 VAL QG . . 3.930 3.551 3.380 3.615 . 0 0 "[ . 1]" 1
442 1 56 ASN HA 1 57 VAL H . . 3.810 3.464 3.454 3.487 . 0 0 "[ . 1]" 1
443 1 57 VAL H 1 57 VAL HB . . 2.990 2.698 2.615 2.893 . 0 0 "[ . 1]" 1
444 1 57 VAL H 1 57 VAL QG . . 3.040 2.084 1.978 2.148 . 0 0 "[ . 1]" 1
445 1 57 VAL HA 1 57 VAL QG . . 2.940 2.127 2.020 2.162 . 0 0 "[ . 1]" 1
446 1 57 VAL HA 1 58 PRO QD . . 2.630 1.958 1.955 1.962 . 0 0 "[ . 1]" 1
447 1 58 PRO HA 1 59 ILE H . . 2.670 2.195 2.152 2.259 . 0 0 "[ . 1]" 1
448 1 58 PRO HA 1 59 ILE MG . . 4.200 3.838 3.640 4.177 . 0 0 "[ . 1]" 1
449 1 58 PRO HB2 1 59 ILE H . . 3.780 3.294 3.014 3.594 . 0 0 "[ . 1]" 1
450 1 58 PRO HB3 1 59 ILE H . . 4.130 3.847 3.674 4.042 . 0 0 "[ . 1]" 1
451 1 58 PRO QD 1 59 ILE QG . . 3.140 6.015 5.821 6.160 3.020 5 10 [***-+*****] 1
452 1 59 ILE H 1 59 ILE HB . . 4.130 3.736 3.648 3.786 . 0 0 "[ . 1]" 1
453 1 59 ILE H 1 59 ILE MD . . 4.130 3.824 3.685 3.910 . 0 0 "[ . 1]" 1
454 1 59 ILE H 1 59 ILE QG . . 3.170 2.139 2.001 2.237 . 0 0 "[ . 1]" 1
455 1 59 ILE H 1 59 ILE MG . . 3.490 2.960 2.710 3.137 . 0 0 "[ . 1]" 1
456 1 59 ILE H 1 60 ARG H . . 4.550 4.494 4.454 4.529 . 0 0 "[ . 1]" 1
457 1 59 ILE HA 1 59 ILE MG . . 2.960 2.227 2.093 2.376 . 0 0 "[ . 1]" 1
458 1 59 ILE HA 1 60 ARG H . . 2.980 2.416 2.310 2.515 . 0 0 "[ . 1]" 1
459 1 59 ILE QG 1 59 ILE MG . . 2.830 2.150 2.050 2.258 . 0 0 "[ . 1]" 1
460 1 59 ILE MG 1 60 ARG H . . 3.830 3.534 3.395 3.661 . 0 0 "[ . 1]" 1
461 1 60 ARG H 1 60 ARG HB2 . . 3.370 2.858 2.685 2.968 . 0 0 "[ . 1]" 1
462 1 60 ARG H 1 60 ARG HB3 . . 2.960 2.258 2.168 2.417 . 0 0 "[ . 1]" 1
463 1 60 ARG HA 1 61 ILE H . . 3.080 2.148 2.140 2.169 . 0 0 "[ . 1]" 1
464 1 60 ARG QD 1 61 ILE H . . 4.040 2.146 1.925 2.375 . 0 0 "[ . 1]" 1
465 1 60 ARG QG 1 61 ILE H . . 4.450 3.633 3.208 3.986 . 0 0 "[ . 1]" 1
466 1 60 ARG QH1 1 63 GLY H . . 3.850 2.596 2.096 3.210 . 0 0 "[ . 1]" 1
467 1 60 ARG QH1 1 65 CYS H . . 4.130 4.367 4.244 4.563 0.433 8 0 "[ . 1]" 1
468 1 61 ILE H 1 61 ILE QG . . 3.550 1.956 1.811 2.194 . 0 0 "[ . 1]" 1
469 1 61 ILE H 1 61 ILE MG . . 3.930 3.363 3.180 3.478 . 0 0 "[ . 1]" 1
470 1 61 ILE HA 1 61 ILE MG . . 3.020 2.042 1.976 2.171 . 0 0 "[ . 1]" 1
471 1 61 ILE HA 1 62 PRO QD . . 2.780 2.148 2.102 2.164 . 0 0 "[ . 1]" 1
472 1 61 ILE HB 1 62 PRO QD . . 2.920 1.991 1.956 2.112 . 0 0 "[ . 1]" 1
473 1 61 ILE MG 1 62 PRO QD . . 3.490 2.287 2.188 2.386 . 0 0 "[ . 1]" 1
474 1 62 PRO HA 1 63 GLY H . . 2.860 2.546 2.463 2.589 . 0 0 "[ . 1]" 1
475 1 62 PRO QD 1 65 CYS HA . . 3.650 9.536 9.368 9.669 6.019 6 10 [*****+-***] 1
476 1 63 GLY HA2 1 64 LYS H . . 2.980 2.610 2.555 2.660 . 0 0 "[ . 1]" 1
477 1 63 GLY HA3 1 64 LYS H . . 2.890 2.515 2.467 2.569 . 0 0 "[ . 1]" 1
478 1 64 LYS H 1 64 LYS HA . . 3.080 2.893 2.863 2.898 . 0 0 "[ . 1]" 1
479 1 64 LYS HA 1 65 CYS H . . 2.680 2.206 2.141 2.287 . 0 0 "[ . 1]" 1
480 1 65 CYS H 1 65 CYS QB . . 3.010 2.242 2.192 2.344 . 0 0 "[ . 1]" 1
481 1 65 CYS HA 1 66 HIS H . . 2.680 2.347 2.209 2.408 . 0 0 "[ . 1]" 1
482 1 65 CYS QB 1 66 HIS H . . 4.170 3.352 3.263 3.543 . 0 0 "[ . 1]" 1
483 1 66 HIS H 1 66 HIS HB2 . . 4.130 3.741 3.592 3.974 . 0 0 "[ . 1]" 1
484 1 66 HIS H 1 66 HIS HB3 . . 3.890 2.667 2.354 3.338 . 0 0 "[ . 1]" 1
485 1 66 HIS H 1 66 HIS HD2 . . 3.740 3.491 2.782 3.767 0.027 2 0 "[ . 1]" 1
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