NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380222 |
1ib7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ib7
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 979
_Distance_constraint_stats_list.Viol_count 1601
_Distance_constraint_stats_list.Viol_total 9570.351
_Distance_constraint_stats_list.Viol_max 2.914
_Distance_constraint_stats_list.Viol_rms 0.1707
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.2989
_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 4 VAL 8.702 0.545 13 3 "[ . 1 -+ * 2]"
1 5 LYS 5.800 0.411 9 0 "[ . 1 . 2]"
1 6 TYR 51.683 0.975 9 20 [********+**-********]
1 7 TYR 40.775 0.893 19 20 [********-*********+*]
1 8 THR 8.787 0.524 9 1 "[ . +1 . 2]"
1 9 LEU 0.457 0.053 1 0 "[ . 1 . 2]"
1 10 GLU 0.684 0.047 9 0 "[ . 1 . 2]"
1 11 GLU 11.841 0.647 12 17 "[* **-* **1*+********]"
1 12 ILE 53.938 2.197 15 20 [****-*********+*****]
1 13 GLN 0.078 0.025 7 0 "[ . 1 . 2]"
1 14 LYS 38.427 1.787 18 20 [***************-*+**]
1 15 HIS 5.034 0.335 16 0 "[ . 1 . 2]"
1 16 LYS 40.295 1.787 18 20 [*******-*********+**]
1 17 ASP 9.616 0.567 8 7 "[* * - + 1 *.* * 2]"
1 18 SER 9.540 0.567 8 7 "[* * - + 1 *.* * 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 9.414 0.933 2 5 "[ + *. - 1 * *2]"
1 21 THR 2.728 0.137 12 0 "[ . 1 . 2]"
1 22 TRP 57.756 2.197 15 20 [**************+-****]
1 23 VAL 0.173 0.045 15 0 "[ . 1 . 2]"
1 24 ILE 32.888 1.669 15 20 [**************+*-***]
1 25 LEU 1.049 0.178 20 0 "[ . 1 . 2]"
1 26 HIS 0.293 0.032 8 0 "[ . 1 . 2]"
1 27 HIS 46.435 2.914 10 20 [*********+*****-****]
1 28 LYS 5.969 0.405 20 0 "[ . 1 . 2]"
1 29 VAL 1.164 0.178 20 0 "[ . 1 . 2]"
1 30 TYR 55.130 1.669 15 20 [**-***********+*****]
1 31 ASP 4.847 0.301 18 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.029 0.012 4 0 "[ . 1 . 2]"
1 34 LYS 0.166 0.018 7 0 "[ . 1 . 2]"
1 35 TYR 6.869 0.316 17 0 "[ . 1 . 2]"
1 36 LEU 2.095 0.115 13 0 "[ . 1 . 2]"
1 37 GLU 0.408 0.032 13 0 "[ . 1 . 2]"
1 38 GLU 57.244 2.486 10 20 [*********+*********-]
1 39 HIS 16.236 0.795 15 20 [*********-****+*****]
1 40 PRO 53.074 2.486 10 20 [*********+*********-]
1 41 GLY 0.250 0.041 20 0 "[ . 1 . 2]"
1 42 GLY 18.519 0.795 15 20 [*********-****+*****]
1 43 GLU 8.775 0.462 12 0 "[ . 1 . 2]"
1 44 GLU 0.280 0.140 2 0 "[ . 1 . 2]"
1 45 VAL 0.289 0.047 3 0 "[ . 1 . 2]"
1 46 LEU 4.949 0.316 17 0 "[ . 1 . 2]"
1 47 ARG 2.694 0.159 7 0 "[ . 1 . 2]"
1 48 GLU 0.314 0.047 3 0 "[ . 1 . 2]"
1 49 GLN 2.597 0.159 7 0 "[ . 1 . 2]"
1 50 ALA 2.096 0.137 12 0 "[ . 1 . 2]"
1 51 GLY 0.929 0.124 2 0 "[ . 1 . 2]"
1 52 GLY 0.228 0.039 9 0 "[ . 1 . 2]"
1 53 ASP 0.114 0.028 19 0 "[ . 1 . 2]"
1 54 ALA 0.270 0.052 15 0 "[ . 1 . 2]"
1 55 THR 19.808 0.976 15 20 [**************+****-]
1 56 GLU 0.336 0.041 7 0 "[ . 1 . 2]"
1 57 ASN 0.679 0.054 7 0 "[ . 1 . 2]"
1 58 PHE 2.129 0.227 15 0 "[ . 1 . 2]"
1 59 GLU 18.247 0.976 15 20 [**************+****-]
1 60 ASP 0.242 0.054 7 0 "[ . 1 . 2]"
1 61 VAL 9.077 0.476 9 0 "[ . 1 . 2]"
1 62 GLY 0.238 0.045 15 0 "[ . 1 . 2]"
1 63 HIS 0.475 0.045 15 0 "[ . 1 . 2]"
1 64 SER 0.079 0.017 12 0 "[ . 1 . 2]"
1 65 THR 0.189 0.027 19 0 "[ . 1 . 2]"
1 66 ASP 0.489 0.058 5 0 "[ . 1 . 2]"
1 67 ALA 0.674 0.032 13 0 "[ . 1 . 2]"
1 68 ARG 0.266 0.058 5 0 "[ . 1 . 2]"
1 69 GLU 0.015 0.010 3 0 "[ . 1 . 2]"
1 70 LEU 0.624 0.099 10 0 "[ . 1 . 2]"
1 71 SER 5.454 0.328 13 0 "[ . 1 . 2]"
1 72 LYS 0.508 0.099 10 0 "[ . 1 . 2]"
1 73 THR 0.027 0.013 8 0 "[ . 1 . 2]"
1 74 TYR 19.898 0.526 9 8 "[ -*.* *+1 * . ** 2]"
1 75 ILE 2.079 0.134 2 0 "[ . 1 . 2]"
1 76 ILE 5.129 0.301 18 0 "[ . 1 . 2]"
1 77 GLY 5.817 0.411 9 0 "[ . 1 . 2]"
1 78 GLU 46.398 2.914 10 20 [*********+*****-****]
1 79 LEU 17.096 0.975 9 20 [********+*********-*]
1 80 HIS 37.238 1.422 8 20 [*******+-***********]
1 81 PRO 18.811 0.833 9 3 "[ . - +1 . *]"
1 82 ASP 13.303 0.685 1 11 "[+ *. *** ** * -**2]"
1 83 ASP 0.667 0.187 14 0 "[ . 1 . 2]"
1 84 ARG 7.434 0.685 1 11 "[+ *. *** ** * -**2]"
1 85 SER 0.468 0.187 14 0 "[ . 1 . 2]"
1 86 LYS 0.255 0.060 15 0 "[ . 1 . 2]"
1 87 ILE 0.218 0.060 15 0 "[ . 1 . 2]"
1 88 ALA 0.005 0.003 16 0 "[ . 1 . 2]"
2 1 HEM 10.958 0.476 9 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 4 VAL H 1 4 VAL HB . . 3.100 2.465 2.206 2.688 . 0 0 "[ . 1 . 2]" 1
2 1 4 VAL H 1 4 VAL MG1 . . 3.970 2.386 2.337 2.569 . 0 0 "[ . 1 . 2]" 1
3 1 4 VAL H 1 4 VAL MG2 . . 4.800 3.766 3.642 3.865 . 0 0 "[ . 1 . 2]" 1
4 1 4 VAL H 1 5 LYS H . . 4.590 4.537 4.479 4.601 0.011 1 0 "[ . 1 . 2]" 1
5 1 4 VAL HA 1 4 VAL MG2 . . 3.690 2.010 1.973 2.020 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL HA 1 5 LYS H . . 3.400 2.533 2.526 2.539 . 0 0 "[ . 1 . 2]" 1
7 1 4 VAL HA 1 6 TYR QE . . 5.510 5.942 5.836 6.055 0.545 13 3 "[ . 1 -+ * 2]" 1
8 1 4 VAL HA 1 78 GLU H . . 5.500 5.274 5.066 5.526 0.026 9 0 "[ . 1 . 2]" 1
9 1 4 VAL HB 1 5 LYS H . . 4.000 3.994 3.983 4.016 0.016 19 0 "[ . 1 . 2]" 1
10 1 4 VAL HB 1 6 TYR QE . . 4.850 4.562 4.373 4.685 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL MG1 1 4 VAL MG2 . . 2.650 2.061 1.970 2.078 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL MG1 1 5 LYS H . . 2.810 2.721 2.685 2.739 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL MG1 1 5 LYS HA . . 4.660 3.533 3.482 3.578 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL MG1 1 6 TYR QD . . 3.410 3.019 2.887 3.084 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL MG1 1 6 TYR QE . . 3.110 2.206 2.076 2.306 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL MG1 1 78 GLU H . . 3.890 3.461 3.108 3.667 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL MG1 1 78 GLU QB . . 5.380 3.944 3.496 4.149 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL MG1 1 78 GLU QG . . 3.840 2.465 2.258 2.809 . 0 0 "[ . 1 . 2]" 1
19 1 4 VAL MG2 1 5 LYS H . . 2.540 2.131 2.090 2.250 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL MG2 1 6 TYR QE . . 4.340 3.960 3.843 4.006 . 0 0 "[ . 1 . 2]" 1
21 1 4 VAL MG2 1 77 GLY QA . . 3.870 2.533 2.116 2.822 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL MG2 1 78 GLU H . . 3.450 2.675 2.482 2.987 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL MG2 1 78 GLU QG . . 5.420 2.415 1.957 2.979 . 0 0 "[ . 1 . 2]" 1
24 1 5 LYS H 1 5 LYS QG . . 4.710 3.728 3.061 4.199 . 0 0 "[ . 1 . 2]" 1
25 1 5 LYS H 1 6 TYR QD . . 5.580 5.104 5.050 5.144 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS H 1 77 GLY QA . . 4.490 2.640 2.459 2.802 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS H 1 78 GLU H . . 4.760 3.127 2.846 3.491 . 0 0 "[ . 1 . 2]" 1
28 1 5 LYS HA 1 6 TYR H . . 2.760 2.180 2.178 2.188 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS HA 1 6 TYR HA . . 5.000 4.369 4.364 4.372 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 77 GLY QA . . 5.400 4.564 4.363 4.738 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS QB 1 77 GLY QA . . 5.130 2.441 2.061 2.834 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HB2 1 77 GLY QA . . 5.490 2.907 2.418 3.426 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS HB3 1 7 TYR HD1 . . 5.200 4.155 3.604 5.095 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS HB3 1 77 GLY QA . . 5.500 2.976 2.088 4.108 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS QE 1 6 TYR HA . . 5.200 4.476 4.043 4.989 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS QE 1 6 TYR QD . . 5.500 4.370 4.039 4.867 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS QE 1 77 GLY QA . . 5.020 5.308 5.126 5.431 0.411 9 0 "[ . 1 . 2]" 1
38 1 6 TYR H 1 6 TYR HB2 . . 3.480 2.296 2.268 2.322 . 0 0 "[ . 1 . 2]" 1
39 1 6 TYR H 1 6 TYR QB . . 3.280 2.268 2.242 2.292 . 0 0 "[ . 1 . 2]" 1
40 1 6 TYR H 1 6 TYR HB3 . . 3.520 3.519 3.510 3.527 0.007 8 0 "[ . 1 . 2]" 1
41 1 6 TYR H 1 6 TYR QD . . 4.350 3.195 3.144 3.248 . 0 0 "[ . 1 . 2]" 1
42 1 6 TYR H 1 6 TYR QE . . 5.380 4.812 4.758 4.878 . 0 0 "[ . 1 . 2]" 1
43 1 6 TYR HA 1 6 TYR QD . . 3.110 2.254 2.206 2.303 . 0 0 "[ . 1 . 2]" 1
44 1 6 TYR HA 1 6 TYR QE . . 4.680 4.519 4.486 4.554 . 0 0 "[ . 1 . 2]" 1
45 1 6 TYR HA 1 7 TYR H . . 2.930 2.201 2.188 2.231 . 0 0 "[ . 1 . 2]" 1
46 1 6 TYR HA 1 78 GLU H . . 3.630 3.540 3.295 3.657 0.027 15 0 "[ . 1 . 2]" 1
47 1 6 TYR HB3 1 6 TYR QE . . 5.130 4.571 4.568 4.575 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR QD 1 7 TYR H . . 4.350 4.124 3.996 4.206 . 0 0 "[ . 1 . 2]" 1
49 1 6 TYR QD 1 78 GLU QB . . 4.490 3.968 2.776 4.073 . 0 0 "[ . 1 . 2]" 1
50 1 6 TYR QE 1 7 TYR H . . 5.540 6.376 6.278 6.433 0.893 19 20 [*********-********+*] 1
51 1 6 TYR QE 1 78 GLU HB2 . . 5.040 4.877 3.547 5.042 0.002 7 0 "[ . 1 . 2]" 1
52 1 6 TYR QE 1 79 LEU H . . 5.540 6.393 6.268 6.515 0.975 9 20 [********+*********-*] 1
53 1 6 TYR QE 1 80 HIS HA . . 5.320 5.434 5.186 5.721 0.401 16 0 "[ . 1 . 2]" 1
54 1 6 TYR QE 1 81 PRO HB3 . . 5.370 5.688 5.281 5.978 0.608 20 2 "[ . - 1 . +]" 1
55 1 6 TYR QE 1 81 PRO QG . . 5.500 3.591 3.245 3.675 . 0 0 "[ . 1 . 2]" 1
56 1 7 TYR H 1 7 TYR HB2 . . 3.390 2.496 2.430 2.623 . 0 0 "[ . 1 . 2]" 1
57 1 7 TYR H 1 7 TYR HB3 . . 3.620 3.553 3.502 3.613 . 0 0 "[ . 1 . 2]" 1
58 1 7 TYR H 1 7 TYR HD2 . . 3.800 3.085 2.825 3.318 . 0 0 "[ . 1 . 2]" 1
59 1 7 TYR H 1 78 GLU H . . 4.700 4.273 4.089 4.446 . 0 0 "[ . 1 . 2]" 1
60 1 7 TYR H 1 80 HIS H . . 3.330 3.160 2.710 3.399 0.069 13 0 "[ . 1 . 2]" 1
61 1 7 TYR HA 1 8 THR H . . 3.770 2.326 2.241 2.416 . 0 0 "[ . 1 . 2]" 1
62 1 7 TYR QB 1 29 VAL MG2 . . 4.870 3.644 3.562 3.695 . 0 0 "[ . 1 . 2]" 1
63 1 7 TYR QB 1 79 LEU HA . . 4.950 2.507 2.366 2.822 . 0 0 "[ . 1 . 2]" 1
64 1 7 TYR HB2 1 7 TYR HD2 . . 3.210 2.313 2.311 2.322 . 0 0 "[ . 1 . 2]" 1
65 1 7 TYR HB2 1 8 THR H . . 3.840 3.803 3.661 3.916 0.076 9 0 "[ . 1 . 2]" 1
66 1 7 TYR HB2 1 29 VAL MG2 . . 4.390 3.820 3.740 3.874 . 0 0 "[ . 1 . 2]" 1
67 1 7 TYR HB3 1 7 TYR HD2 . . 3.420 3.423 3.365 3.503 0.083 9 0 "[ . 1 . 2]" 1
68 1 7 TYR HB3 1 8 THR H . . 4.280 2.963 2.704 3.281 . 0 0 "[ . 1 . 2]" 1
69 1 7 TYR HB3 1 29 VAL MG2 . . 5.480 4.604 4.474 4.764 . 0 0 "[ . 1 . 2]" 1
70 1 7 TYR HD2 1 8 THR H . . 5.550 5.977 5.827 6.074 0.524 9 1 "[ . +1 . 2]" 1
71 1 7 TYR HD2 1 11 GLU QB . . 5.370 4.776 4.652 4.864 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR HD2 1 22 TRP HZ3 . . 4.070 2.670 2.448 2.861 . 0 0 "[ . 1 . 2]" 1
73 1 7 TYR HD2 1 29 VAL HB . . 4.560 4.326 4.238 4.448 . 0 0 "[ . 1 . 2]" 1
74 1 7 TYR HD2 1 29 VAL MG1 . . 2.620 2.547 2.419 2.583 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR HD2 1 29 VAL MG2 . . 2.710 2.079 1.968 2.142 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR HD2 1 76 ILE MD . . 4.880 3.852 3.755 3.921 . 0 0 "[ . 1 . 2]" 1
77 1 7 TYR HD2 1 76 ILE QG . . 5.480 4.077 4.013 4.139 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR HD2 1 77 GLY QA . . 4.600 4.270 4.139 4.383 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR HD2 1 78 GLU H . . 4.400 4.218 4.029 4.390 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR QE 1 22 TRP HE1 . . 5.530 6.271 6.212 6.327 0.797 11 20 [**********+****-****] 1
81 1 7 TYR QE 1 22 TRP HH2 . . 3.800 3.172 3.053 3.324 . 0 0 "[ . 1 . 2]" 1
82 1 7 TYR QE 1 22 TRP HZ2 . . 5.500 4.340 4.246 4.449 . 0 0 "[ . 1 . 2]" 1
83 1 7 TYR QE 1 22 TRP HZ3 . . 4.690 4.032 3.938 4.119 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR QE 1 29 VAL HB . . 5.140 5.048 4.928 5.125 . 0 0 "[ . 1 . 2]" 1
85 1 7 TYR QE 1 76 ILE HB . . 4.540 4.308 4.267 4.353 . 0 0 "[ . 1 . 2]" 1
86 1 7 TYR QE 1 76 ILE MD . . 2.970 2.676 2.572 2.759 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR QE 1 76 ILE QG . . 4.750 1.948 1.922 1.968 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR QE 1 77 GLY H . . 5.440 2.743 2.609 2.849 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR QE 1 77 GLY QA . . 3.330 2.408 2.299 2.507 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR QE 1 78 GLU H . . 4.410 3.589 3.461 3.741 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR QE 1 78 GLU QB . . 5.580 5.279 5.160 5.397 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR QE 1 78 GLU QG . . 5.550 5.119 4.930 5.332 . 0 0 "[ . 1 . 2]" 1
93 1 8 THR H 1 8 THR HA . . 2.910 2.878 2.844 2.915 0.005 6 0 "[ . 1 . 2]" 1
94 1 8 THR H 1 8 THR HB . . 3.950 3.423 2.785 3.479 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR H 1 8 THR MG . . 4.100 2.591 2.273 3.586 . 0 0 "[ . 1 . 2]" 1
96 1 8 THR H 1 11 GLU H . . 5.030 3.794 3.648 3.971 . 0 0 "[ . 1 . 2]" 1
97 1 8 THR H 1 11 GLU QB . . 5.510 3.140 2.817 3.414 . 0 0 "[ . 1 . 2]" 1
98 1 8 THR H 1 11 GLU QG . . 5.510 4.598 4.182 4.985 . 0 0 "[ . 1 . 2]" 1
99 1 8 THR H 1 80 HIS H . . 5.000 4.513 4.270 4.638 . 0 0 "[ . 1 . 2]" 1
100 1 8 THR HA 1 9 LEU H . . 2.400 2.286 2.225 2.367 . 0 0 "[ . 1 . 2]" 1
101 1 8 THR HA 1 10 GLU H . . 3.800 3.738 3.694 3.795 . 0 0 "[ . 1 . 2]" 1
102 1 8 THR HA 1 11 GLU HB2 . . 5.300 4.906 4.715 5.032 . 0 0 "[ . 1 . 2]" 1
103 1 8 THR HA 1 79 LEU HA . . 5.000 4.808 4.655 5.029 0.029 6 0 "[ . 1 . 2]" 1
104 1 8 THR HA 1 80 HIS H . . 5.000 3.186 2.965 3.461 . 0 0 "[ . 1 . 2]" 1
105 1 8 THR HA 1 80 HIS HB2 . . 5.000 2.536 1.963 2.716 . 0 0 "[ . 1 . 2]" 1
106 1 8 THR HB 1 9 LEU H . . 3.650 3.028 2.750 3.703 0.053 1 0 "[ . 1 . 2]" 1
107 1 8 THR HB 1 10 GLU H . . 3.020 2.345 2.270 2.495 . 0 0 "[ . 1 . 2]" 1
108 1 8 THR MG 1 9 LEU H . . 3.970 3.622 2.507 3.729 . 0 0 "[ . 1 . 2]" 1
109 1 8 THR MG 1 80 HIS QB . . 3.970 3.138 2.681 3.280 . 0 0 "[ . 1 . 2]" 1
110 1 8 THR MG 1 80 HIS HE1 . . 5.300 4.879 4.754 4.963 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU H 1 9 LEU QB . . 3.580 2.119 2.028 2.237 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU MD1 . . 4.590 3.918 3.753 4.085 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU H 1 9 LEU MD2 . . 2.740 2.117 1.866 2.512 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 9 LEU HG . . 4.030 3.855 3.655 3.982 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 10 GLU H . . 3.040 2.726 2.629 2.800 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU H 1 10 GLU HA . . 5.400 5.155 5.044 5.238 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU H 1 11 GLU H . . 4.500 4.438 4.355 4.542 0.042 15 0 "[ . 1 . 2]" 1
118 1 9 LEU H 1 79 LEU MD2 . . 3.960 3.476 2.866 3.880 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU H 1 83 ASP HB2 . . 5.190 3.612 3.204 3.948 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU H 1 83 ASP QB . . 4.860 3.403 2.919 3.775 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU H 1 83 ASP HB3 . . 5.190 4.205 3.361 4.909 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HA 1 9 LEU HG . . 3.970 3.591 3.472 3.699 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU HA 1 10 GLU H . . 5.000 3.466 3.435 3.496 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU HA 1 11 GLU H . . 5.000 4.000 3.749 4.254 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU HA 1 12 ILE HB . . 5.000 4.802 4.648 5.005 0.005 17 0 "[ . 1 . 2]" 1
126 1 9 LEU HA 1 12 ILE MD . . 5.000 2.004 1.924 2.086 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU HA 1 12 ILE MG . . 5.190 4.418 4.309 4.552 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU HA 1 13 GLN HG2 . . 5.300 5.215 4.921 5.325 0.025 7 0 "[ . 1 . 2]" 1
129 1 9 LEU HA 1 83 ASP HB2 . . 5.510 5.268 4.870 5.522 0.012 7 0 "[ . 1 . 2]" 1
130 1 9 LEU QB 1 10 GLU H . . 4.150 3.727 3.671 3.798 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU MD1 1 83 ASP QB . . 3.680 2.598 2.305 2.938 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU MD1 1 84 ARG HA . . 4.960 4.626 4.356 4.742 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU HG 1 10 GLU H . . 3.540 3.462 3.272 3.587 0.047 9 0 "[ . 1 . 2]" 1
134 1 9 LEU HG 1 10 GLU HA . . 3.640 3.351 3.252 3.482 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU HG 1 13 GLN QG . . 3.870 3.298 2.973 3.513 . 0 0 "[ . 1 . 2]" 1
136 1 10 GLU H 1 10 GLU HA . . 2.830 2.792 2.769 2.817 . 0 0 "[ . 1 . 2]" 1
137 1 10 GLU H 1 10 GLU HB2 . . 2.870 2.045 2.021 2.096 . 0 0 "[ . 1 . 2]" 1
138 1 10 GLU H 1 10 GLU HB3 . . 3.320 3.240 3.021 3.363 0.043 2 0 "[ . 1 . 2]" 1
139 1 10 GLU H 1 11 GLU H . . 2.620 2.592 2.529 2.643 0.023 10 0 "[ . 1 . 2]" 1
140 1 10 GLU HA 1 11 GLU H . . 5.000 3.575 3.542 3.605 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLU HA 1 13 GLN HA . . 5.640 5.470 5.259 5.616 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLU QB 1 11 GLU H . . 3.210 2.870 2.712 2.997 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HB2 1 11 GLU H . . 3.420 3.274 3.058 3.464 0.044 17 0 "[ . 1 . 2]" 1
144 1 10 GLU HB2 1 14 LYS HE2 . . 5.040 4.979 4.585 5.080 0.040 17 0 "[ . 1 . 2]" 1
145 1 10 GLU HB3 1 11 GLU H . . 3.420 3.196 2.852 3.397 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLU H 1 11 GLU QB . . 3.520 2.006 2.000 2.017 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLU H 1 11 GLU QG . . 4.260 3.682 3.527 3.807 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLU H 1 12 ILE H . . 3.160 3.105 3.013 3.187 0.027 20 0 "[ . 1 . 2]" 1
149 1 11 GLU H 1 12 ILE HA . . 5.560 5.499 5.413 5.574 0.014 17 0 "[ . 1 . 2]" 1
150 1 11 GLU H 1 12 ILE HB . . 5.530 6.081 5.940 6.177 0.647 12 17 "[* **-* **1*+********]" 1
151 1 11 GLU H 1 13 GLN H . . 4.520 4.132 3.870 4.489 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLU H 1 14 LYS HG2 . . 5.000 4.382 4.179 4.621 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLU HA 1 12 ILE H . . 5.000 3.638 3.631 3.645 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLU HA 1 14 LYS H . . 5.000 3.634 3.275 4.049 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLU HB2 1 14 LYS HG2 . . 5.430 5.124 4.761 5.529 0.099 13 0 "[ . 1 . 2]" 1
156 1 11 GLU HB2 1 22 TRP HZ3 . . 5.400 3.682 3.464 3.916 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLU HG2 1 12 ILE H . . 5.000 4.411 4.256 4.563 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLU HG2 1 15 HIS HE1 . . 5.500 4.264 2.986 5.184 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLU HG2 1 22 TRP HE3 . . 5.000 4.442 4.249 4.720 . 0 0 "[ . 1 . 2]" 1
160 1 11 GLU HG2 1 22 TRP HZ2 . . 5.210 5.166 4.837 5.235 0.025 7 0 "[ . 1 . 2]" 1
161 1 12 ILE H 1 12 ILE HB . . 3.480 3.467 3.435 3.486 0.006 1 0 "[ . 1 . 2]" 1
162 1 12 ILE H 1 12 ILE MD . . 2.490 1.888 1.839 1.931 . 0 0 "[ . 1 . 2]" 1
163 1 12 ILE H 1 12 ILE MG . . 3.240 2.816 2.754 2.875 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE H 1 13 GLN H . . 3.230 3.078 2.982 3.219 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE H 1 22 TRP HZ2 . . 5.560 7.675 7.523 7.757 2.197 15 20 [******-*******+*****] 1
166 1 12 ILE HA 1 15 HIS HD2 . . 4.260 3.037 1.993 3.809 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE HA 1 22 TRP HE3 . . 3.300 2.935 2.607 3.056 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE HA 1 22 TRP HZ3 . . 5.050 5.004 4.655 5.140 0.090 7 0 "[ . 1 . 2]" 1
169 1 12 ILE MD 1 22 TRP HE3 . . 2.700 2.617 2.416 2.705 0.005 19 0 "[ . 1 . 2]" 1
170 1 12 ILE QG 1 22 TRP HE3 . . 4.960 4.431 4.313 4.517 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE MG 1 22 TRP HE3 . . 2.520 1.924 1.883 1.959 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE MG 1 23 VAL HA . . 4.970 3.121 2.963 3.319 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE MG 1 51 GLY QA . . 4.270 2.066 1.950 2.226 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLN H 1 13 GLN HB2 . . 2.980 2.344 2.177 2.606 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLN H 1 13 GLN QB . . 2.960 2.310 2.155 2.545 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLN H 1 13 GLN HB3 . . 3.560 3.521 3.466 3.562 0.002 9 0 "[ . 1 . 2]" 1
177 1 13 GLN H 1 13 GLN HG2 . . 3.580 2.551 2.041 2.883 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLN H 1 13 GLN QG . . 3.080 2.431 1.998 2.725 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLN H 1 13 GLN HG3 . . 3.580 3.163 2.839 3.548 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLN H 1 14 LYS H . . 3.330 3.092 2.902 3.273 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLN HA 1 16 LYS QB . . 4.730 3.141 2.812 3.927 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLN HA 1 51 GLY QA . . 5.000 2.776 2.555 2.922 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLN HA 1 52 GLY H . . 5.300 5.065 4.791 5.179 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLN HA 1 52 GLY QA . . 5.470 5.335 5.151 5.450 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLN HB3 1 14 LYS HA . . 4.900 4.047 3.870 4.366 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLN HB3 1 15 HIS H . . 5.500 4.922 4.641 5.473 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLN HB3 1 51 GLY QA . . 5.500 5.212 4.922 5.400 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLN HG2 1 52 GLY QA . . 5.350 4.847 4.780 4.925 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 14 LYS HD2 . . 4.330 4.158 3.708 4.443 0.113 18 0 "[ . 1 . 2]" 1
190 1 14 LYS H 1 15 HIS H . . 2.900 2.748 2.596 2.873 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS H 1 15 HIS HD2 . . 5.260 5.209 4.804 5.301 0.041 13 0 "[ . 1 . 2]" 1
192 1 14 LYS H 1 51 GLY QA . . 5.440 5.365 5.033 5.564 0.124 2 0 "[ . 1 . 2]" 1
193 1 14 LYS HA 1 15 HIS H . . 5.000 3.529 3.405 3.608 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS HA 1 15 HIS QB . . 5.320 5.527 5.429 5.655 0.335 16 0 "[ . 1 . 2]" 1
195 1 14 LYS QB 1 15 HIS QB . . 5.530 4.976 4.478 5.263 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS QB 1 15 HIS HE1 . . 5.500 4.506 3.232 5.183 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS QB 1 16 LYS HA . . 5.500 7.081 6.728 7.287 1.787 18 20 [***************-*+**] 1
198 1 14 LYS HD2 1 15 HIS H . . 5.500 5.167 3.341 5.650 0.150 15 0 "[ . 1 . 2]" 1
199 1 14 LYS HG2 1 15 HIS HE1 . . 5.540 5.298 4.939 5.639 0.099 13 0 "[ . 1 . 2]" 1
200 1 15 HIS H 1 15 HIS QB . . 3.700 2.511 2.390 2.723 . 0 0 "[ . 1 . 2]" 1
201 1 15 HIS H 1 15 HIS HD2 . . 3.760 3.617 3.344 3.806 0.046 13 0 "[ . 1 . 2]" 1
202 1 15 HIS H 1 16 LYS H . . 3.960 3.309 3.111 3.613 . 0 0 "[ . 1 . 2]" 1
203 1 15 HIS HA 1 16 LYS H . . 3.210 2.714 2.588 2.790 . 0 0 "[ . 1 . 2]" 1
204 1 15 HIS HA 1 16 LYS QB . . 5.510 4.682 4.541 4.935 . 0 0 "[ . 1 . 2]" 1
205 1 15 HIS HA 1 17 ASP H . . 3.210 3.084 2.977 3.204 . 0 0 "[ . 1 . 2]" 1
206 1 15 HIS HA 1 20 SER H . . 4.220 4.129 3.969 4.280 0.060 2 0 "[ . 1 . 2]" 1
207 1 15 HIS QB 1 22 TRP HE3 . . 4.970 4.021 3.713 4.337 . 0 0 "[ . 1 . 2]" 1
208 1 15 HIS HD2 1 22 TRP HE3 . . 5.310 3.253 2.205 4.079 . 0 0 "[ . 1 . 2]" 1
209 1 15 HIS HD2 1 22 TRP HZ3 . . 5.000 3.978 3.693 4.394 . 0 0 "[ . 1 . 2]" 1
210 1 16 LYS H 1 16 LYS QB . . 3.850 2.431 2.292 2.821 . 0 0 "[ . 1 . 2]" 1
211 1 16 LYS H 1 17 ASP H . . 2.770 2.585 2.364 2.783 0.013 13 0 "[ . 1 . 2]" 1
212 1 16 LYS H 1 17 ASP HA . . 5.000 4.685 4.593 4.800 . 0 0 "[ . 1 . 2]" 1
213 1 16 LYS H 1 20 SER HB2 . . 5.340 5.168 4.312 5.512 0.172 19 0 "[ . 1 . 2]" 1
214 1 16 LYS H 1 20 SER HB3 . . 5.500 5.871 5.446 6.433 0.933 2 5 "[ + *. - 1 * *2]" 1
215 1 16 LYS H 1 21 THR HA . . 5.200 5.134 4.856 5.278 0.078 12 0 "[ . 1 . 2]" 1
216 1 16 LYS HA 1 16 LYS QG . . 3.880 2.331 1.982 3.322 . 0 0 "[ . 1 . 2]" 1
217 1 16 LYS HA 1 17 ASP H . . 3.260 3.012 2.899 3.142 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS HA 1 50 ALA MB . . 2.860 2.548 2.378 2.683 . 0 0 "[ . 1 . 2]" 1
219 1 16 LYS QG 1 51 GLY H . . 5.380 2.629 1.885 4.898 . 0 0 "[ . 1 . 2]" 1
220 1 17 ASP H 1 17 ASP HA . . 2.920 2.913 2.892 2.918 . 0 0 "[ . 1 . 2]" 1
221 1 17 ASP H 1 17 ASP HB3 . . 3.800 3.323 2.822 3.669 . 0 0 "[ . 1 . 2]" 1
222 1 17 ASP H 1 18 SER H . . 5.000 4.456 4.404 4.493 . 0 0 "[ . 1 . 2]" 1
223 1 17 ASP H 1 18 SER QB . . 5.400 5.877 5.796 5.967 0.567 8 7 "[* * - + 1 *.* * 2]" 1
224 1 17 ASP H 1 20 SER H . . 5.000 3.367 3.251 3.536 . 0 0 "[ . 1 . 2]" 1
225 1 17 ASP HA 1 17 ASP HB2 . . 3.050 2.856 2.583 3.051 0.001 3 0 "[ . 1 . 2]" 1
226 1 17 ASP HA 1 17 ASP HB3 . . 3.050 2.768 2.325 3.036 . 0 0 "[ . 1 . 2]" 1
227 1 17 ASP HA 1 47 ARG HD2 . . 3.650 3.475 3.011 3.686 0.036 2 0 "[ . 1 . 2]" 1
228 1 19 LYS H 1 19 LYS HA . . 2.870 2.694 2.673 2.732 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS H 1 20 SER H . . 3.410 2.992 2.838 3.129 . 0 0 "[ . 1 . 2]" 1
230 1 20 SER H 1 20 SER HB3 . . 3.800 3.679 3.366 3.881 0.081 9 0 "[ . 1 . 2]" 1
231 1 20 SER H 1 21 THR H . . 3.800 3.821 3.744 3.883 0.083 20 0 "[ . 1 . 2]" 1
232 1 20 SER H 1 33 THR MG . . 5.500 3.578 3.393 3.777 . 0 0 "[ . 1 . 2]" 1
233 1 20 SER HA 1 21 THR H . . 2.770 2.267 2.243 2.306 . 0 0 "[ . 1 . 2]" 1
234 1 20 SER HA 1 21 THR HA . . 5.000 4.440 4.423 4.461 . 0 0 "[ . 1 . 2]" 1
235 1 20 SER HA 1 21 THR HB . . 5.000 4.595 4.438 5.079 0.079 2 0 "[ . 1 . 2]" 1
236 1 20 SER HA 1 33 THR H . . 5.380 5.252 5.078 5.384 0.004 14 0 "[ . 1 . 2]" 1
237 1 20 SER HA 1 33 THR MG . . 2.680 2.236 1.962 2.436 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR H 1 21 THR MG . . 4.780 3.691 3.634 3.821 . 0 0 "[ . 1 . 2]" 1
239 1 21 THR H 1 33 THR H . . 4.140 4.012 3.837 4.152 0.012 4 0 "[ . 1 . 2]" 1
240 1 21 THR H 1 33 THR HA . . 3.230 2.958 2.741 3.218 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR H 1 33 THR MG . . 2.400 2.269 1.930 2.390 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 21 THR MG . . 3.320 2.470 2.044 2.637 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 22 TRP H . . 2.830 2.155 2.150 2.161 . 0 0 "[ . 1 . 2]" 1
244 1 21 THR HA 1 50 ALA HA . . 5.530 5.622 5.547 5.667 0.137 12 0 "[ . 1 . 2]" 1
245 1 21 THR HA 1 50 ALA MB . . 5.000 3.072 3.000 3.145 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 22 TRP HA . . 5.500 5.074 4.650 5.218 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR HB 1 33 THR HA . . 5.000 2.289 1.997 2.814 . 0 0 "[ . 1 . 2]" 1
248 1 21 THR HB 1 36 LEU MD1 . . 5.590 4.702 4.625 4.798 . 0 0 "[ . 1 . 2]" 1
249 1 21 THR HB 1 50 ALA MB . . 5.520 4.517 4.002 4.732 . 0 0 "[ . 1 . 2]" 1
250 1 21 THR MG 1 32 LEU H . . 5.470 3.932 3.529 5.052 . 0 0 "[ . 1 . 2]" 1
251 1 21 THR MG 1 33 THR HA . . 5.500 3.664 3.317 4.316 . 0 0 "[ . 1 . 2]" 1
252 1 21 THR MG 1 36 LEU MD2 . . 4.170 1.978 1.842 2.167 . 0 0 "[ . 1 . 2]" 1
253 1 21 THR MG 1 47 ARG H . . 4.250 3.869 3.606 3.998 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR MG 1 47 ARG HA . . 3.130 2.895 2.409 3.069 . 0 0 "[ . 1 . 2]" 1
255 1 22 TRP H 1 22 TRP HB2 . . 3.920 2.401 2.328 2.431 . 0 0 "[ . 1 . 2]" 1
256 1 22 TRP H 1 22 TRP QB . . 3.600 2.364 2.297 2.392 . 0 0 "[ . 1 . 2]" 1
257 1 22 TRP H 1 22 TRP HB3 . . 3.920 3.544 3.511 3.566 . 0 0 "[ . 1 . 2]" 1
258 1 22 TRP H 1 51 GLY H . . 4.070 3.853 3.621 4.003 . 0 0 "[ . 1 . 2]" 1
259 1 22 TRP HA 1 23 VAL H . . 2.900 2.441 2.414 2.482 . 0 0 "[ . 1 . 2]" 1
260 1 22 TRP HA 1 30 TYR H . . 4.540 3.772 3.567 3.931 . 0 0 "[ . 1 . 2]" 1
261 1 22 TRP HA 1 32 LEU H . . 3.770 3.480 3.328 3.607 . 0 0 "[ . 1 . 2]" 1
262 1 22 TRP QB 1 23 VAL H . . 3.320 2.630 2.528 2.699 . 0 0 "[ . 1 . 2]" 1
263 1 22 TRP QB 1 51 GLY H . . 5.380 4.608 4.363 4.755 . 0 0 "[ . 1 . 2]" 1
264 1 22 TRP QB 1 51 GLY QA . . 5.210 3.188 3.029 3.273 . 0 0 "[ . 1 . 2]" 1
265 1 22 TRP HB2 1 22 TRP HE3 . . 4.010 3.172 3.115 3.217 . 0 0 "[ . 1 . 2]" 1
266 1 22 TRP HB2 1 23 VAL H . . 4.070 4.004 3.927 4.056 . 0 0 "[ . 1 . 2]" 1
267 1 22 TRP HB2 1 51 GLY QA . . 5.250 3.469 3.298 3.585 . 0 0 "[ . 1 . 2]" 1
268 1 22 TRP HB3 1 22 TRP HE3 . . 4.010 2.605 2.569 2.651 . 0 0 "[ . 1 . 2]" 1
269 1 22 TRP HB3 1 23 VAL H . . 3.670 2.667 2.559 2.740 . 0 0 "[ . 1 . 2]" 1
270 1 22 TRP HB3 1 51 GLY QA . . 5.250 3.720 3.529 3.864 . 0 0 "[ . 1 . 2]" 1
271 1 22 TRP HD1 1 31 ASP HA . . 2.990 2.019 1.974 2.140 . 0 0 "[ . 1 . 2]" 1
272 1 22 TRP HE1 1 76 ILE MD . . 3.850 3.179 3.028 3.278 . 0 0 "[ . 1 . 2]" 1
273 1 22 TRP HE3 1 29 VAL MG2 . . 4.340 2.919 2.845 3.033 . 0 0 "[ . 1 . 2]" 1
274 1 22 TRP HH2 1 76 ILE MD . . 3.690 3.524 3.454 3.549 . 0 0 "[ . 1 . 2]" 1
275 1 22 TRP HZ2 1 76 ILE MD . . 3.110 2.880 2.780 2.930 . 0 0 "[ . 1 . 2]" 1
276 1 22 TRP HZ3 1 76 ILE MD . . 4.300 4.093 3.983 4.148 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL H 1 23 VAL QG . . 3.360 2.323 2.229 2.396 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL H 1 24 ILE H . . 4.110 4.014 3.906 4.080 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL H 1 29 VAL MG2 . . 5.540 4.320 4.250 4.397 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL H 1 30 TYR H . . 3.480 2.013 1.874 2.152 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL HA 1 24 ILE H . . 2.990 2.186 2.182 2.192 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL HA 1 51 GLY H . . 4.730 4.705 4.625 4.775 0.045 15 0 "[ . 1 . 2]" 1
283 1 23 VAL HA 1 52 GLY H . . 4.810 4.777 4.699 4.833 0.023 14 0 "[ . 1 . 2]" 1
284 1 23 VAL QG 1 24 ILE H . . 4.540 2.621 2.515 2.771 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL QG 1 25 LEU QD . . 3.770 1.774 1.702 1.842 . 0 0 "[ . 1 . 2]" 1
286 1 23 VAL QG 1 30 TYR H . . 3.950 2.529 2.433 2.624 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL QG 1 30 TYR HD1 . . 5.230 4.491 4.384 4.606 . 0 0 "[ . 1 . 2]" 1
288 1 23 VAL QG 1 46 LEU HA . . 5.400 3.878 3.720 4.015 . 0 0 "[ . 1 . 2]" 1
289 1 23 VAL QG 1 46 LEU MD2 . . 5.560 3.573 3.460 3.619 . 0 0 "[ . 1 . 2]" 1
290 1 23 VAL QG 1 50 ALA HA . . 4.780 2.940 2.817 3.103 . 0 0 "[ . 1 . 2]" 1
291 1 23 VAL QG 1 54 ALA MB . . 2.400 1.785 1.701 1.942 . 0 0 "[ . 1 . 2]" 1
292 1 23 VAL QG 2 1 HEM HAB . . 5.270 4.066 3.952 4.143 . 0 0 "[ . 1 . 2]" 1
293 1 24 ILE H 1 51 GLY QA . . 5.240 4.398 4.306 4.582 . 0 0 "[ . 1 . 2]" 1
294 1 24 ILE H 1 52 GLY H . . 5.430 5.407 5.314 5.469 0.039 9 0 "[ . 1 . 2]" 1
295 1 24 ILE H 1 53 ASP HA . . 3.210 3.113 2.689 3.238 0.028 19 0 "[ . 1 . 2]" 1
296 1 24 ILE H 1 54 ALA H . . 3.980 3.694 3.514 3.909 . 0 0 "[ . 1 . 2]" 1
297 1 24 ILE HA 1 25 LEU H . . 3.050 2.181 2.175 2.193 . 0 0 "[ . 1 . 2]" 1
298 1 24 ILE HA 1 29 VAL HA . . 3.980 2.201 2.003 2.382 . 0 0 "[ . 1 . 2]" 1
299 1 24 ILE HA 1 29 VAL MG2 . . 5.530 4.696 4.513 4.873 . 0 0 "[ . 1 . 2]" 1
300 1 24 ILE HA 1 30 TYR H . . 4.800 3.993 3.820 4.152 . 0 0 "[ . 1 . 2]" 1
301 1 24 ILE HA 1 30 TYR HD1 . . 5.840 5.830 5.727 5.879 0.039 4 0 "[ . 1 . 2]" 1
302 1 24 ILE HA 1 30 TYR QE . . 5.100 6.721 6.614 6.769 1.669 15 20 [**************+*-***] 1
303 1 24 ILE HB 1 53 ASP HA . . 3.020 2.616 2.371 2.865 . 0 0 "[ . 1 . 2]" 1
304 1 24 ILE MD 1 53 ASP QB . . 4.090 3.169 2.779 3.609 . 0 0 "[ . 1 . 2]" 1
305 1 24 ILE MG 1 25 LEU HA . . 3.820 3.633 3.382 3.718 . 0 0 "[ . 1 . 2]" 1
306 1 24 ILE MG 1 25 LEU QB . . 5.660 4.564 4.512 4.637 . 0 0 "[ . 1 . 2]" 1
307 1 24 ILE MG 1 25 LEU QD . . 5.380 4.040 3.403 4.153 . 0 0 "[ . 1 . 2]" 1
308 1 24 ILE MG 1 26 HIS H . . 4.980 4.085 3.819 4.406 . 0 0 "[ . 1 . 2]" 1
309 1 24 ILE MG 1 26 HIS HA . . 5.380 4.774 4.540 5.123 . 0 0 "[ . 1 . 2]" 1
310 1 24 ILE MG 1 84 ARG HA . . 5.530 4.835 4.719 5.311 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU H 1 25 LEU QD . . 4.950 3.166 3.080 3.290 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU H 1 28 LYS H . . 4.130 2.345 2.088 2.599 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU H 1 29 VAL HA . . 3.580 2.907 2.700 3.190 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU H 1 29 VAL MG2 . . 5.220 5.246 5.097 5.398 0.178 20 0 "[ . 1 . 2]" 1
315 1 25 LEU H 1 30 TYR HD1 . . 5.040 4.757 4.501 4.949 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU H 1 30 TYR QE . . 5.610 5.155 4.959 5.281 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU HA 1 25 LEU QD . . 3.630 2.078 2.043 2.141 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU HA 1 26 HIS H . . 2.990 2.189 2.176 2.236 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU HA 1 54 ALA H . . 5.410 4.640 4.483 4.825 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HA 1 55 THR HA . . 4.260 2.809 2.713 2.989 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU QB 1 26 HIS H . . 5.110 3.531 3.269 3.665 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU MD1 1 25 LEU MD2 . . 2.830 2.095 2.073 2.112 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU QD 1 26 HIS H . . 5.310 3.634 3.555 3.720 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU QD 1 30 TYR HB2 . . 4.660 2.699 2.629 2.755 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU QD 1 30 TYR HB3 . . 5.590 3.436 3.370 3.505 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU QD 1 30 TYR HD1 . . 4.790 4.239 4.200 4.268 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU QD 1 30 TYR QE . . 5.490 2.089 2.054 2.124 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU QD 1 54 ALA H . . 3.800 2.893 2.779 2.953 . 0 0 "[ . 1 . 2]" 1
329 1 25 LEU QD 1 55 THR H . . 4.550 3.032 2.923 3.161 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU QD 1 58 PHE H . . 4.860 3.932 3.798 4.053 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU QD 1 58 PHE HB2 . . 3.170 2.428 2.381 2.476 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU QD 1 58 PHE QB . . 2.970 2.277 2.213 2.317 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU QD 1 58 PHE HB3 . . 3.440 2.759 2.628 2.858 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU QD 1 58 PHE HD2 . . 4.450 2.412 1.965 2.871 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU QD 1 58 PHE HE1 . . 4.680 3.866 3.212 4.439 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU QD 1 59 GLU H . . 5.560 4.645 4.515 4.724 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU QD 2 1 HEM HAB . . 5.500 4.452 4.375 4.506 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU QD 2 1 HEM HBB1 . . 4.180 3.545 3.457 3.607 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU QD 2 1 HEM HBB2 . . 4.180 3.764 3.724 3.805 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU HG 1 54 ALA H . . 5.630 5.575 5.447 5.682 0.052 15 0 "[ . 1 . 2]" 1
341 1 25 LEU HG 1 58 PHE QB . . 5.500 2.874 2.775 3.040 . 0 0 "[ . 1 . 2]" 1
342 1 26 HIS H 1 26 HIS HA . . 2.830 2.227 2.217 2.234 . 0 0 "[ . 1 . 2]" 1
343 1 26 HIS H 1 26 HIS HB2 . . 3.930 3.767 3.526 3.962 0.032 8 0 "[ . 1 . 2]" 1
344 1 26 HIS H 1 26 HIS QB . . 3.600 3.187 2.889 3.330 . 0 0 "[ . 1 . 2]" 1
345 1 26 HIS H 1 26 HIS HB3 . . 3.830 3.522 2.972 3.845 0.015 7 0 "[ . 1 . 2]" 1
346 1 26 HIS H 1 27 HIS H . . 4.240 3.067 2.958 3.160 . 0 0 "[ . 1 . 2]" 1
347 1 26 HIS H 1 55 THR HA . . 3.920 3.406 3.260 3.558 . 0 0 "[ . 1 . 2]" 1
348 1 26 HIS H 1 55 THR MG . . 3.680 2.021 1.925 2.259 . 0 0 "[ . 1 . 2]" 1
349 1 26 HIS HE1 1 58 PHE HD2 . . 4.450 3.899 2.036 4.471 0.021 13 0 "[ . 1 . 2]" 1
350 1 27 HIS H 1 27 HIS HA . . 2.770 2.196 2.193 2.201 . 0 0 "[ . 1 . 2]" 1
351 1 27 HIS H 1 28 LYS H . . 3.760 2.786 2.604 2.904 . 0 0 "[ . 1 . 2]" 1
352 1 27 HIS HA 1 28 LYS H . . 2.690 2.688 2.667 2.729 0.039 10 0 "[ . 1 . 2]" 1
353 1 27 HIS HA 1 78 GLU H . . 5.580 7.896 7.487 8.494 2.914 10 20 [*********+*****-****] 1
354 1 28 LYS H 1 30 TYR HD1 . . 5.590 5.883 5.638 5.995 0.405 20 0 "[ . 1 . 2]" 1
355 1 28 LYS HA 1 29 VAL H . . 2.740 2.197 2.177 2.230 . 0 0 "[ . 1 . 2]" 1
356 1 28 LYS HA 1 29 VAL MG1 . . 4.170 3.672 3.596 3.757 . 0 0 "[ . 1 . 2]" 1
357 1 28 LYS HA 1 78 GLU HA . . 3.390 2.022 1.927 2.205 . 0 0 "[ . 1 . 2]" 1
358 1 28 LYS QB 1 75 ILE MD . . 3.280 2.520 2.057 2.784 . 0 0 "[ . 1 . 2]" 1
359 1 28 LYS QE 1 75 ILE MD . . 3.500 2.315 1.726 3.124 . 0 0 "[ . 1 . 2]" 1
360 1 29 VAL H 1 29 VAL HB . . 3.530 3.532 3.511 3.556 0.026 20 0 "[ . 1 . 2]" 1
361 1 29 VAL H 1 29 VAL MG1 . . 2.460 2.166 2.057 2.298 . 0 0 "[ . 1 . 2]" 1
362 1 29 VAL H 1 30 TYR H . . 4.660 4.638 4.626 4.652 . 0 0 "[ . 1 . 2]" 1
363 1 29 VAL H 1 77 GLY H . . 4.840 4.568 4.371 4.698 . 0 0 "[ . 1 . 2]" 1
364 1 29 VAL H 1 78 GLU HA . . 3.240 1.968 1.901 2.211 . 0 0 "[ . 1 . 2]" 1
365 1 29 VAL H 1 79 LEU H . . 4.260 3.273 2.896 3.459 . 0 0 "[ . 1 . 2]" 1
366 1 29 VAL HA 1 29 VAL MG1 . . 3.750 2.345 2.303 2.379 . 0 0 "[ . 1 . 2]" 1
367 1 29 VAL HA 1 30 TYR H . . 2.900 2.269 2.254 2.307 . 0 0 "[ . 1 . 2]" 1
368 1 29 VAL HA 1 30 TYR HD1 . . 4.210 4.159 4.082 4.242 0.032 10 0 "[ . 1 . 2]" 1
369 1 29 VAL MG1 1 29 VAL MG2 . . 2.400 2.000 1.959 2.025 . 0 0 "[ . 1 . 2]" 1
370 1 29 VAL MG1 1 30 TYR H . . 5.430 4.059 3.996 4.089 . 0 0 "[ . 1 . 2]" 1
371 1 29 VAL MG1 1 79 LEU H . . 3.150 2.775 2.500 2.998 . 0 0 "[ . 1 . 2]" 1
372 1 29 VAL MG2 1 30 TYR H . . 5.210 3.700 3.625 3.757 . 0 0 "[ . 1 . 2]" 1
373 1 29 VAL MG2 1 76 ILE MD . . 3.050 1.660 1.629 1.711 . 0 0 "[ . 1 . 2]" 1
374 1 29 VAL MG2 1 77 GLY H . . 3.790 2.885 2.800 3.001 . 0 0 "[ . 1 . 2]" 1
375 1 29 VAL MG2 1 78 GLU H . . 4.960 4.054 3.921 4.168 . 0 0 "[ . 1 . 2]" 1
376 1 29 VAL MG2 1 78 GLU HA . . 3.710 2.820 2.697 2.999 . 0 0 "[ . 1 . 2]" 1
377 1 30 TYR H 1 30 TYR HB2 . . 3.760 2.201 2.189 2.216 . 0 0 "[ . 1 . 2]" 1
378 1 30 TYR H 1 30 TYR QB . . 3.550 2.176 2.164 2.189 . 0 0 "[ . 1 . 2]" 1
379 1 30 TYR H 1 30 TYR HB3 . . 4.060 3.424 3.392 3.442 . 0 0 "[ . 1 . 2]" 1
380 1 30 TYR H 1 30 TYR HD1 . . 3.580 3.484 3.418 3.580 0.000 10 0 "[ . 1 . 2]" 1
381 1 30 TYR H 1 30 TYR QE . . 5.590 5.483 5.417 5.612 0.022 10 0 "[ . 1 . 2]" 1
382 1 30 TYR H 1 31 ASP H . . 4.480 4.173 3.996 4.222 . 0 0 "[ . 1 . 2]" 1
383 1 30 TYR H 1 76 ILE MD . . 5.160 4.383 4.340 4.412 . 0 0 "[ . 1 . 2]" 1
384 1 30 TYR HA 1 30 TYR HD1 . . 4.410 1.898 1.876 1.928 . 0 0 "[ . 1 . 2]" 1
385 1 30 TYR HA 1 31 ASP H . . 2.900 2.209 2.196 2.257 . 0 0 "[ . 1 . 2]" 1
386 1 30 TYR HA 1 74 TYR HA . . 5.550 5.868 5.806 5.955 0.405 10 0 "[ . 1 . 2]" 1
387 1 30 TYR HA 1 76 ILE H . . 4.060 4.052 3.956 4.129 0.069 7 0 "[ . 1 . 2]" 1
388 1 30 TYR HB2 1 30 TYR HD1 . . 3.420 3.376 3.346 3.405 . 0 0 "[ . 1 . 2]" 1
389 1 30 TYR HD1 1 75 ILE H . . 5.880 5.872 5.781 5.921 0.041 6 0 "[ . 1 . 2]" 1
390 1 30 TYR HD1 1 75 ILE HA . . 4.910 3.352 3.288 3.427 . 0 0 "[ . 1 . 2]" 1
391 1 30 TYR HD1 1 75 ILE QG . . 5.380 2.690 2.113 4.137 . 0 0 "[ . 1 . 2]" 1
392 1 30 TYR HD1 2 1 HEM HBB2 . . 4.710 4.708 4.615 4.745 0.035 15 0 "[ . 1 . 2]" 1
393 1 30 TYR QE 1 74 TYR H . . 5.540 6.016 5.896 6.066 0.526 9 8 "[ -*.* *+1 * . ** 2]" 1
394 1 30 TYR QE 1 75 ILE HA . . 4.400 4.354 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
395 1 30 TYR QE 1 75 ILE MD . . 3.870 2.074 1.803 3.214 . 0 0 "[ . 1 . 2]" 1
396 1 30 TYR QE 1 75 ILE QG . . 5.100 2.582 1.957 3.375 . 0 0 "[ . 1 . 2]" 1
397 1 30 TYR QE 1 75 ILE MG . . 5.590 4.486 4.284 4.629 . 0 0 "[ . 1 . 2]" 1
398 1 31 ASP H 1 31 ASP QB . . 3.610 2.209 2.164 2.450 . 0 0 "[ . 1 . 2]" 1
399 1 31 ASP H 1 75 ILE HA . . 3.640 3.224 2.983 3.456 . 0 0 "[ . 1 . 2]" 1
400 1 31 ASP H 1 76 ILE HB . . 5.580 5.812 5.632 5.881 0.301 18 0 "[ . 1 . 2]" 1
401 1 31 ASP H 1 76 ILE MD . . 3.980 2.511 2.277 2.590 . 0 0 "[ . 1 . 2]" 1
402 1 31 ASP H 1 76 ILE QG . . 5.360 4.757 4.539 4.817 . 0 0 "[ . 1 . 2]" 1
403 1 31 ASP H 1 76 ILE MG . . 3.110 2.947 2.849 3.005 . 0 0 "[ . 1 . 2]" 1
404 1 31 ASP HA 1 32 LEU H . . 2.990 2.451 2.403 2.515 . 0 0 "[ . 1 . 2]" 1
405 1 31 ASP HA 1 76 ILE MD . . 4.790 3.721 3.613 3.809 . 0 0 "[ . 1 . 2]" 1
406 1 31 ASP HB2 1 76 ILE HB . . 5.520 4.833 4.567 5.730 0.210 17 0 "[ . 1 . 2]" 1
407 1 31 ASP HB2 1 76 ILE MD . . 5.000 2.124 1.961 3.562 . 0 0 "[ . 1 . 2]" 1
408 1 31 ASP HB2 1 76 ILE QG . . 5.000 3.814 3.533 4.882 . 0 0 "[ . 1 . 2]" 1
409 1 32 LEU H 1 32 LEU HG . . 3.390 2.380 2.147 2.544 . 0 0 "[ . 1 . 2]" 1
410 1 32 LEU QB 1 35 TYR HD2 . . 5.010 2.140 2.058 2.218 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU QB 1 35 TYR QE . . 4.900 4.254 4.189 4.311 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU QB 2 1 HEM HAB . . 4.180 1.995 1.906 2.101 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU QB 2 1 HEM HBB1 . . 5.570 4.109 3.909 4.190 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU QB 2 1 HEM HBB2 . . 4.920 2.666 2.429 2.757 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU MD1 1 35 TYR HD2 . . 4.200 2.279 2.030 2.671 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU MD1 1 46 LEU MD1 . . 2.460 1.926 1.820 2.091 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU MD1 1 46 LEU MD2 . . 2.790 2.376 2.315 2.449 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU MD1 2 1 HEM HAB . . 4.230 2.856 2.658 3.006 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU MD2 1 46 LEU MD1 . . 4.970 3.752 3.569 3.970 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU MD2 1 46 LEU MD2 . . 4.020 2.946 2.730 3.161 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU MD2 1 74 TYR QB . . 5.530 4.429 4.188 4.550 . 0 0 "[ . 1 . 2]" 1
422 1 33 THR H 1 33 THR HB . . 2.870 2.467 2.372 2.655 . 0 0 "[ . 1 . 2]" 1
423 1 33 THR H 1 34 LYS H . . 3.050 2.753 2.532 2.915 . 0 0 "[ . 1 . 2]" 1
424 1 33 THR HA 1 33 THR MG . . 2.930 2.407 2.302 2.467 . 0 0 "[ . 1 . 2]" 1
425 1 33 THR HA 1 36 LEU H . . 4.290 3.736 3.610 3.924 . 0 0 "[ . 1 . 2]" 1
426 1 33 THR HB 1 34 LYS H . . 3.430 2.528 2.415 2.682 . 0 0 "[ . 1 . 2]" 1
427 1 34 LYS H 1 34 LYS HA . . 2.880 2.827 2.794 2.850 . 0 0 "[ . 1 . 2]" 1
428 1 34 LYS H 1 34 LYS HE2 . . 5.000 3.296 2.105 5.007 0.007 6 0 "[ . 1 . 2]" 1
429 1 34 LYS H 1 35 TYR H . . 3.240 2.550 2.477 2.681 . 0 0 "[ . 1 . 2]" 1
430 1 34 LYS HA 1 34 LYS HB2 . . 3.000 2.832 2.409 3.018 0.018 7 0 "[ . 1 . 2]" 1
431 1 34 LYS HA 1 34 LYS HD2 . . 4.600 4.326 4.275 4.419 . 0 0 "[ . 1 . 2]" 1
432 1 34 LYS HA 1 34 LYS HG2 . . 4.500 3.138 2.567 3.443 . 0 0 "[ . 1 . 2]" 1
433 1 34 LYS HA 1 36 LEU H . . 4.070 3.558 3.516 3.587 . 0 0 "[ . 1 . 2]" 1
434 1 34 LYS QB 1 74 TYR QE . . 5.550 2.005 1.968 2.112 . 0 0 "[ . 1 . 2]" 1
435 1 34 LYS HB2 1 74 TYR QD . . 5.290 4.583 4.215 5.277 . 0 0 "[ . 1 . 2]" 1
436 1 34 LYS HD2 1 74 TYR QD . . 5.210 3.596 3.045 4.657 . 0 0 "[ . 1 . 2]" 1
437 1 34 LYS HD2 1 74 TYR QE . . 5.530 2.111 1.976 2.362 . 0 0 "[ . 1 . 2]" 1
438 1 35 TYR H 1 35 TYR QB . . 3.630 2.114 2.100 2.127 . 0 0 "[ . 1 . 2]" 1
439 1 35 TYR H 1 36 LEU H . . 2.930 2.771 2.679 2.909 . 0 0 "[ . 1 . 2]" 1
440 1 35 TYR H 1 36 LEU HA . . 4.740 4.730 4.707 4.765 0.025 20 0 "[ . 1 . 2]" 1
441 1 35 TYR HA 1 35 TYR HD2 . . 4.340 4.302 4.220 4.364 0.024 17 0 "[ . 1 . 2]" 1
442 1 35 TYR HA 1 35 TYR QE . . 5.500 4.760 4.744 4.778 . 0 0 "[ . 1 . 2]" 1
443 1 35 TYR HA 1 38 GLU H . . 3.890 2.827 2.779 2.898 . 0 0 "[ . 1 . 2]" 1
444 1 35 TYR HA 1 38 GLU QB . . 3.990 1.944 1.910 2.020 . 0 0 "[ . 1 . 2]" 1
445 1 35 TYR HA 1 38 GLU QG . . 4.370 3.759 3.590 3.948 . 0 0 "[ . 1 . 2]" 1
446 1 35 TYR HA 1 39 HIS H . . 4.230 3.960 3.886 4.070 . 0 0 "[ . 1 . 2]" 1
447 1 35 TYR HA 1 74 TYR QE . . 5.590 4.075 3.992 4.186 . 0 0 "[ . 1 . 2]" 1
448 1 35 TYR QB 1 74 TYR QE . . 4.640 2.475 2.409 2.563 . 0 0 "[ . 1 . 2]" 1
449 1 35 TYR QB 2 1 HEM HAB . . 5.310 3.988 3.833 4.187 . 0 0 "[ . 1 . 2]" 1
450 1 35 TYR HD2 1 35 TYR HH . . 5.380 5.062 4.529 5.314 . 0 0 "[ . 1 . 2]" 1
451 1 35 TYR HD2 1 39 HIS QB . . 4.920 3.587 3.393 3.770 . 0 0 "[ . 1 . 2]" 1
452 1 35 TYR HD2 1 46 LEU QB . . 5.450 5.697 5.570 5.766 0.316 17 0 "[ . 1 . 2]" 1
453 1 35 TYR HD2 1 46 LEU MD1 . . 4.280 3.963 3.854 4.058 . 0 0 "[ . 1 . 2]" 1
454 1 35 TYR HD2 2 1 HEM HAB . . 5.470 2.799 2.703 2.930 . 0 0 "[ . 1 . 2]" 1
455 1 35 TYR HD2 2 1 HEM HBB1 . . 5.700 5.417 5.299 5.500 . 0 0 "[ . 1 . 2]" 1
456 1 35 TYR QE 1 36 LEU HA . . 5.560 5.633 5.599 5.675 0.115 13 0 "[ . 1 . 2]" 1
457 1 35 TYR QE 1 39 HIS H . . 4.920 4.494 4.369 4.578 . 0 0 "[ . 1 . 2]" 1
458 1 35 TYR QE 1 40 PRO QD . . 5.510 3.045 2.892 3.295 . 0 0 "[ . 1 . 2]" 1
459 1 35 TYR QE 1 46 LEU MD1 . . 4.830 4.242 4.186 4.314 . 0 0 "[ . 1 . 2]" 1
460 1 35 TYR QE 1 46 LEU MD2 . . 5.250 3.921 3.773 4.062 . 0 0 "[ . 1 . 2]" 1
461 1 35 TYR QE 1 70 LEU MD2 . . 5.110 2.464 1.969 3.066 . 0 0 "[ . 1 . 2]" 1
462 1 35 TYR QE 1 74 TYR QE . . 5.270 5.185 4.941 5.347 0.077 4 0 "[ . 1 . 2]" 1
463 1 35 TYR HH 1 39 HIS HA . . 4.630 3.450 2.468 3.966 . 0 0 "[ . 1 . 2]" 1
464 1 36 LEU H 1 36 LEU MD1 . . 3.990 3.751 3.664 3.831 . 0 0 "[ . 1 . 2]" 1
465 1 36 LEU H 1 36 LEU MD2 . . 4.510 4.133 4.101 4.167 . 0 0 "[ . 1 . 2]" 1
466 1 36 LEU H 1 36 LEU HG . . 4.560 4.564 4.548 4.588 0.028 11 0 "[ . 1 . 2]" 1
467 1 36 LEU H 1 37 GLU H . . 3.550 2.526 2.424 2.602 . 0 0 "[ . 1 . 2]" 1
468 1 36 LEU H 1 46 LEU MD1 . . 5.430 4.877 4.858 4.920 . 0 0 "[ . 1 . 2]" 1
469 1 36 LEU HA 1 36 LEU MD2 . . 2.400 1.959 1.946 1.975 . 0 0 "[ . 1 . 2]" 1
470 1 36 LEU HA 1 39 HIS H . . 3.860 3.842 3.783 3.878 0.018 10 0 "[ . 1 . 2]" 1
471 1 36 LEU HA 1 43 GLU HA . . 4.500 4.437 4.358 4.502 0.002 8 0 "[ . 1 . 2]" 1
472 1 36 LEU HA 1 46 LEU MD1 . . 2.670 2.504 2.473 2.546 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU MD1 1 37 GLU H . . 3.270 2.517 2.414 2.632 . 0 0 "[ . 1 . 2]" 1
474 1 36 LEU MD1 1 39 HIS QB . . 5.430 4.628 4.496 4.827 . 0 0 "[ . 1 . 2]" 1
475 1 36 LEU MD2 1 43 GLU HA . . 3.390 2.874 2.630 3.079 . 0 0 "[ . 1 . 2]" 1
476 1 36 LEU MD2 1 46 LEU MD1 . . 2.540 1.861 1.838 1.900 . 0 0 "[ . 1 . 2]" 1
477 1 36 LEU MD2 1 46 LEU MD2 . . 5.340 3.866 3.746 3.946 . 0 0 "[ . 1 . 2]" 1
478 1 36 LEU HG 1 43 GLU HA . . 5.550 5.511 5.347 5.663 0.113 20 0 "[ . 1 . 2]" 1
479 1 36 LEU HG 1 46 LEU HB2 . . 5.000 4.798 4.657 4.870 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU HG 1 47 ARG HG2 . . 5.000 3.467 3.080 5.010 0.010 7 0 "[ . 1 . 2]" 1
481 1 37 GLU H 1 37 GLU HB2 . . 3.620 3.217 2.198 3.623 0.003 8 0 "[ . 1 . 2]" 1
482 1 37 GLU H 1 37 GLU QB . . 3.080 2.514 2.175 2.648 . 0 0 "[ . 1 . 2]" 1
483 1 37 GLU H 1 37 GLU HB3 . . 3.640 2.945 2.670 3.571 . 0 0 "[ . 1 . 2]" 1
484 1 37 GLU H 1 37 GLU HG2 . . 3.730 2.650 1.952 3.620 . 0 0 "[ . 1 . 2]" 1
485 1 37 GLU H 1 37 GLU QG . . 3.440 2.341 1.938 3.118 . 0 0 "[ . 1 . 2]" 1
486 1 37 GLU H 1 37 GLU HG3 . . 3.730 2.946 2.305 3.692 . 0 0 "[ . 1 . 2]" 1
487 1 37 GLU H 1 38 GLU H . . 3.110 2.327 2.293 2.354 . 0 0 "[ . 1 . 2]" 1
488 1 37 GLU H 1 39 HIS H . . 4.040 4.046 4.007 4.072 0.032 13 0 "[ . 1 . 2]" 1
489 1 37 GLU HA 1 38 GLU H . . 4.000 3.383 3.369 3.411 . 0 0 "[ . 1 . 2]" 1
490 1 37 GLU HA 1 39 HIS H . . 4.000 3.834 3.765 3.924 . 0 0 "[ . 1 . 2]" 1
491 1 37 GLU HA 1 43 GLU HB2 . . 5.000 3.207 2.979 3.389 . 0 0 "[ . 1 . 2]" 1
492 1 37 GLU HA 1 43 GLU QB . . 3.710 2.498 2.195 2.666 . 0 0 "[ . 1 . 2]" 1
493 1 37 GLU QB 1 38 GLU H . . 4.270 3.712 3.288 3.892 . 0 0 "[ . 1 . 2]" 1
494 1 37 GLU HB2 1 38 GLU H . . 4.360 4.110 3.460 4.384 0.024 15 0 "[ . 1 . 2]" 1
495 1 37 GLU HB3 1 38 GLU H . . 4.480 4.274 3.978 4.366 . 0 0 "[ . 1 . 2]" 1
496 1 38 GLU H 1 38 GLU HB2 . . 3.420 2.290 2.128 2.599 . 0 0 "[ . 1 . 2]" 1
497 1 38 GLU H 1 38 GLU HB3 . . 3.420 2.893 2.524 3.174 . 0 0 "[ . 1 . 2]" 1
498 1 38 GLU H 1 39 HIS H . . 2.900 2.291 2.238 2.353 . 0 0 "[ . 1 . 2]" 1
499 1 38 GLU H 1 40 PRO QG . . 5.200 7.634 7.545 7.686 2.486 10 20 [*********+*********-] 1
500 1 38 GLU H 1 43 GLU HA . . 5.580 6.000 5.919 6.042 0.462 12 0 "[ . 1 . 2]" 1
501 1 38 GLU H 1 46 LEU MD1 . . 5.530 4.865 4.824 4.931 . 0 0 "[ . 1 . 2]" 1
502 1 38 GLU HA 1 39 HIS H . . 5.000 3.501 3.487 3.519 . 0 0 "[ . 1 . 2]" 1
503 1 38 GLU HB3 1 39 HIS H . . 5.000 3.269 3.080 3.481 . 0 0 "[ . 1 . 2]" 1
504 1 39 HIS H 1 39 HIS HB2 . . 3.170 2.210 2.197 2.235 . 0 0 "[ . 1 . 2]" 1
505 1 39 HIS H 1 39 HIS HB3 . . 3.170 2.729 2.697 2.746 . 0 0 "[ . 1 . 2]" 1
506 1 39 HIS H 1 39 HIS HD1 . . 5.130 5.134 5.119 5.141 0.011 16 0 "[ . 1 . 2]" 1
507 1 39 HIS H 1 42 GLY QA . . 5.590 6.294 6.252 6.385 0.795 15 20 [*********-****+*****] 1
508 1 39 HIS HA 1 41 GLY H . . 3.760 3.768 3.730 3.801 0.041 20 0 "[ . 1 . 2]" 1
509 1 39 HIS QB 1 46 LEU MD2 . . 5.120 3.163 3.065 3.280 . 0 0 "[ . 1 . 2]" 1
510 1 39 HIS HB2 1 46 LEU MD1 . . 3.440 2.172 2.082 2.256 . 0 0 "[ . 1 . 2]" 1
511 1 39 HIS HB2 1 46 LEU MD2 . . 5.340 3.405 3.273 3.557 . 0 0 "[ . 1 . 2]" 1
512 1 39 HIS HB3 1 46 LEU MD1 . . 3.390 2.020 1.954 2.083 . 0 0 "[ . 1 . 2]" 1
513 1 39 HIS HB3 1 46 LEU MD2 . . 5.420 3.754 3.692 3.844 . 0 0 "[ . 1 . 2]" 1
514 1 39 HIS HD1 1 41 GLY H . . 5.000 3.821 3.678 4.013 . 0 0 "[ . 1 . 2]" 1
515 1 39 HIS HD1 1 41 GLY QA . . 5.380 3.633 3.508 3.808 . 0 0 "[ . 1 . 2]" 1
516 1 39 HIS HD1 1 42 GLY H . . 4.110 1.894 1.883 1.910 . 0 0 "[ . 1 . 2]" 1
517 1 39 HIS HD1 1 42 GLY QA . . 5.580 3.627 3.450 3.724 . 0 0 "[ . 1 . 2]" 1
518 1 39 HIS HD1 1 43 GLU HA . . 5.500 3.862 3.574 4.057 . 0 0 "[ . 1 . 2]" 1
519 1 39 HIS HD1 1 45 VAL MG1 . . 3.170 2.764 2.605 2.861 . 0 0 "[ . 1 . 2]" 1
520 1 39 HIS HD1 1 45 VAL MG2 . . 4.190 3.998 3.968 4.040 . 0 0 "[ . 1 . 2]" 1
521 1 39 HIS HD1 1 46 LEU MD1 . . 3.530 1.958 1.920 2.001 . 0 0 "[ . 1 . 2]" 1
522 1 39 HIS HD1 1 46 LEU MD2 . . 4.170 2.432 2.356 2.510 . 0 0 "[ . 1 . 2]" 1
523 1 39 HIS NE2 2 1 HEM FE . . 2.020 2.096 2.092 2.106 0.086 18 0 "[ . 1 . 2]" 1
524 1 40 PRO HB2 1 41 GLY H . . 5.000 3.453 3.379 3.525 . 0 0 "[ . 1 . 2]" 1
525 1 40 PRO HD2 1 41 GLY HA3 . . 5.000 4.280 4.277 4.284 . 0 0 "[ . 1 . 2]" 1
526 1 40 PRO HD2 1 42 GLY H . . 5.500 4.599 4.509 4.674 . 0 0 "[ . 1 . 2]" 1
527 1 40 PRO HD3 1 42 GLY H . . 5.590 5.810 5.729 5.873 0.283 9 0 "[ . 1 . 2]" 1
528 1 41 GLY H 1 42 GLY H . . 3.200 2.931 2.894 2.960 . 0 0 "[ . 1 . 2]" 1
529 1 41 GLY H 1 42 GLY HA2 . . 5.350 5.040 5.008 5.080 . 0 0 "[ . 1 . 2]" 1
530 1 41 GLY H 1 42 GLY HA3 . . 5.520 5.414 5.385 5.435 . 0 0 "[ . 1 . 2]" 1
531 1 42 GLY H 1 42 GLY HA2 . . 2.930 2.834 2.833 2.835 . 0 0 "[ . 1 . 2]" 1
532 1 42 GLY H 1 42 GLY HA3 . . 2.930 2.776 2.774 2.776 . 0 0 "[ . 1 . 2]" 1
533 1 42 GLY H 1 43 GLU H . . 4.260 4.241 4.204 4.285 0.025 7 0 "[ . 1 . 2]" 1
534 1 42 GLY HA2 1 43 GLU H . . 3.220 2.302 2.273 2.345 . 0 0 "[ . 1 . 2]" 1
535 1 42 GLY HA3 1 43 GLU H . . 3.560 3.013 2.945 3.066 . 0 0 "[ . 1 . 2]" 1
536 1 43 GLU H 1 43 GLU HB2 . . 3.630 3.601 3.580 3.626 . 0 0 "[ . 1 . 2]" 1
537 1 43 GLU H 1 43 GLU HB3 . . 3.350 2.737 2.598 2.844 . 0 0 "[ . 1 . 2]" 1
538 1 43 GLU H 1 44 GLU H . . 4.040 2.306 2.220 2.413 . 0 0 "[ . 1 . 2]" 1
539 1 43 GLU HA 1 43 GLU QG . . 3.730 3.336 3.324 3.349 . 0 0 "[ . 1 . 2]" 1
540 1 43 GLU HA 1 46 LEU H . . 4.010 3.862 3.736 3.991 . 0 0 "[ . 1 . 2]" 1
541 1 43 GLU HA 1 46 LEU MD1 . . 3.620 1.958 1.909 2.024 . 0 0 "[ . 1 . 2]" 1
542 1 43 GLU HA 1 46 LEU MD2 . . 5.520 4.477 4.316 4.599 . 0 0 "[ . 1 . 2]" 1
543 1 43 GLU HA 1 47 ARG H . . 4.660 4.388 4.292 4.604 . 0 0 "[ . 1 . 2]" 1
544 1 43 GLU HB2 1 44 GLU H . . 5.000 4.162 3.927 4.372 . 0 0 "[ . 1 . 2]" 1
545 1 44 GLU H 1 44 GLU HB2 . . 3.000 2.496 2.288 2.775 . 0 0 "[ . 1 . 2]" 1
546 1 44 GLU H 1 45 VAL H . . 3.240 2.494 2.314 2.719 . 0 0 "[ . 1 . 2]" 1
547 1 44 GLU H 1 46 LEU H . . 4.500 3.726 3.549 3.909 . 0 0 "[ . 1 . 2]" 1
548 1 44 GLU H 1 48 GLU H . . 5.270 5.206 5.139 5.271 0.001 18 0 "[ . 1 . 2]" 1
549 1 44 GLU HA 1 44 GLU HB2 . . 3.050 2.757 2.486 3.052 0.002 8 0 "[ . 1 . 2]" 1
550 1 44 GLU HA 1 44 GLU HG2 . . 4.000 3.010 2.326 3.680 . 0 0 "[ . 1 . 2]" 1
551 1 44 GLU HA 1 46 LEU H . . 4.070 3.658 3.631 3.678 . 0 0 "[ . 1 . 2]" 1
552 1 44 GLU HA 1 47 ARG H . . 3.420 3.034 2.791 3.192 . 0 0 "[ . 1 . 2]" 1
553 1 44 GLU HA 1 47 ARG HB2 . . 4.300 2.371 2.106 2.503 . 0 0 "[ . 1 . 2]" 1
554 1 44 GLU HA 1 47 ARG HD2 . . 5.300 5.141 4.605 5.334 0.034 7 0 "[ . 1 . 2]" 1
555 1 44 GLU HA 1 47 ARG HG2 . . 5.000 4.844 4.609 5.140 0.140 2 0 "[ . 1 . 2]" 1
556 1 44 GLU HA 1 48 GLU HB3 . . 5.000 4.701 3.959 5.004 0.004 18 0 "[ . 1 . 2]" 1
557 1 44 GLU QB 1 45 VAL H . . 3.870 2.361 2.330 2.398 . 0 0 "[ . 1 . 2]" 1
558 1 44 GLU QG 1 45 VAL H . . 4.400 3.820 3.492 3.989 . 0 0 "[ . 1 . 2]" 1
559 1 45 VAL H 1 45 VAL HB . . 2.870 2.726 2.695 2.763 . 0 0 "[ . 1 . 2]" 1
560 1 45 VAL H 1 45 VAL MG1 . . 3.470 1.876 1.846 1.897 . 0 0 "[ . 1 . 2]" 1
561 1 45 VAL H 1 45 VAL MG2 . . 4.410 3.673 3.660 3.684 . 0 0 "[ . 1 . 2]" 1
562 1 45 VAL H 1 46 LEU H . . 3.330 2.891 2.878 2.896 . 0 0 "[ . 1 . 2]" 1
563 1 45 VAL H 1 47 ARG H . . 5.000 4.724 4.448 4.876 . 0 0 "[ . 1 . 2]" 1
564 1 45 VAL HA 1 45 VAL HB . . 2.900 2.272 2.262 2.282 . 0 0 "[ . 1 . 2]" 1
565 1 45 VAL HA 1 46 LEU H . . 4.000 3.541 3.534 3.545 . 0 0 "[ . 1 . 2]" 1
566 1 45 VAL HA 1 48 GLU H . . 4.320 4.295 4.010 4.358 0.038 4 0 "[ . 1 . 2]" 1
567 1 45 VAL HA 1 48 GLU HB2 . . 4.140 3.795 3.550 4.187 0.047 3 0 "[ . 1 . 2]" 1
568 1 45 VAL HA 1 48 GLU QB . . 3.520 2.839 2.700 3.010 . 0 0 "[ . 1 . 2]" 1
569 1 45 VAL HA 1 48 GLU HB3 . . 4.000 2.936 2.773 3.086 . 0 0 "[ . 1 . 2]" 1
570 1 45 VAL HA 1 48 GLU HG2 . . 5.500 4.548 2.406 5.432 . 0 0 "[ . 1 . 2]" 1
571 1 45 VAL HA 1 49 GLN H . . 5.000 4.362 4.289 4.557 . 0 0 "[ . 1 . 2]" 1
572 1 45 VAL HA 1 49 GLN HG2 . . 5.300 3.972 3.696 4.226 . 0 0 "[ . 1 . 2]" 1
573 1 45 VAL HB 1 46 LEU H . . 4.330 4.315 4.296 4.330 0.000 3 0 "[ . 1 . 2]" 1
574 1 45 VAL MG1 1 46 LEU H . . 5.000 2.276 2.249 2.322 . 0 0 "[ . 1 . 2]" 1
575 1 45 VAL MG1 1 46 LEU MD1 . . 5.500 3.327 3.215 3.417 . 0 0 "[ . 1 . 2]" 1
576 1 45 VAL MG1 1 46 LEU MD2 . . 5.520 3.024 2.911 3.177 . 0 0 "[ . 1 . 2]" 1
577 1 45 VAL MG2 1 46 LEU H . . 5.000 3.423 3.368 3.459 . 0 0 "[ . 1 . 2]" 1
578 1 45 VAL MG2 1 46 LEU MD1 . . 5.500 4.389 4.343 4.419 . 0 0 "[ . 1 . 2]" 1
579 1 45 VAL MG2 1 46 LEU MD2 . . 5.500 2.527 2.409 2.666 . 0 0 "[ . 1 . 2]" 1
580 1 45 VAL MG2 2 1 HEM HAC . . 4.480 2.207 2.134 2.331 . 0 0 "[ . 1 . 2]" 1
581 1 45 VAL MG2 2 1 HEM HBC2 . . 3.480 2.146 2.032 2.272 . 0 0 "[ . 1 . 2]" 1
582 1 46 LEU H 1 46 LEU HB2 . . 3.600 2.715 2.682 2.764 . 0 0 "[ . 1 . 2]" 1
583 1 46 LEU H 1 46 LEU QB . . 3.260 2.639 2.610 2.679 . 0 0 "[ . 1 . 2]" 1
584 1 46 LEU H 1 46 LEU HB3 . . 3.620 3.591 3.578 3.600 . 0 0 "[ . 1 . 2]" 1
585 1 46 LEU H 1 46 LEU MD1 . . 4.500 3.191 3.083 3.269 . 0 0 "[ . 1 . 2]" 1
586 1 46 LEU H 1 46 LEU MD2 . . 4.410 3.381 3.313 3.452 . 0 0 "[ . 1 . 2]" 1
587 1 46 LEU H 1 46 LEU HG . . 3.670 1.937 1.906 1.996 . 0 0 "[ . 1 . 2]" 1
588 1 46 LEU H 1 47 ARG H . . 3.110 2.545 2.373 2.632 . 0 0 "[ . 1 . 2]" 1
589 1 46 LEU H 1 48 GLU H . . 4.110 3.945 3.842 4.062 . 0 0 "[ . 1 . 2]" 1
590 1 46 LEU HA 1 46 LEU MD2 . . 3.400 2.661 2.598 2.779 . 0 0 "[ . 1 . 2]" 1
591 1 46 LEU HA 1 49 GLN H . . 3.930 3.892 3.823 3.939 0.009 11 0 "[ . 1 . 2]" 1
592 1 46 LEU HA 1 49 GLN QG . . 4.040 3.405 3.244 3.599 . 0 0 "[ . 1 . 2]" 1
593 1 46 LEU QB 1 46 LEU MD2 . . 3.100 2.064 2.019 2.117 . 0 0 "[ . 1 . 2]" 1
594 1 46 LEU HB2 1 46 LEU MD1 . . 2.870 2.143 2.121 2.168 . 0 0 "[ . 1 . 2]" 1
595 1 46 LEU HB2 1 46 LEU MD2 . . 3.490 3.156 3.127 3.175 . 0 0 "[ . 1 . 2]" 1
596 1 46 LEU HB3 1 46 LEU MD1 . . 3.130 2.665 2.625 2.726 . 0 0 "[ . 1 . 2]" 1
597 1 46 LEU HB3 1 46 LEU MD2 . . 3.390 2.092 2.044 2.150 . 0 0 "[ . 1 . 2]" 1
598 1 46 LEU MD1 1 47 ARG H . . 5.100 3.653 3.560 3.745 . 0 0 "[ . 1 . 2]" 1
599 1 46 LEU MD2 1 47 ARG H . . 5.520 4.684 4.636 4.767 . 0 0 "[ . 1 . 2]" 1
600 1 46 LEU MD2 2 1 HEM HAB . . 5.010 4.349 4.277 4.451 . 0 0 "[ . 1 . 2]" 1
601 1 46 LEU MD2 2 1 HEM HAC . . 4.990 3.564 3.481 3.640 . 0 0 "[ . 1 . 2]" 1
602 1 46 LEU MD2 2 1 HEM HBC1 . . 3.830 2.723 2.567 2.821 . 0 0 "[ . 1 . 2]" 1
603 1 46 LEU HG 1 47 ARG H . . 4.850 3.846 3.814 3.921 . 0 0 "[ . 1 . 2]" 1
604 1 47 ARG H 1 47 ARG HB2 . . 2.960 2.406 2.047 2.554 . 0 0 "[ . 1 . 2]" 1
605 1 47 ARG H 1 47 ARG QB . . 3.160 2.367 2.029 2.499 . 0 0 "[ . 1 . 2]" 1
606 1 47 ARG H 1 47 ARG HB3 . . 3.560 3.527 3.326 3.553 . 0 0 "[ . 1 . 2]" 1
607 1 47 ARG H 1 47 ARG QD . . 4.710 4.196 3.482 4.303 . 0 0 "[ . 1 . 2]" 1
608 1 47 ARG H 1 47 ARG QG . . 4.450 2.374 2.127 3.312 . 0 0 "[ . 1 . 2]" 1
609 1 47 ARG H 1 48 GLU H . . 3.730 2.871 2.750 2.920 . 0 0 "[ . 1 . 2]" 1
610 1 47 ARG H 1 48 GLU HA . . 5.400 5.307 5.209 5.352 . 0 0 "[ . 1 . 2]" 1
611 1 47 ARG H 1 49 GLN H . . 5.000 4.275 4.181 4.332 . 0 0 "[ . 1 . 2]" 1
612 1 47 ARG HA 1 47 ARG HB2 . . 3.100 3.047 2.934 3.062 . 0 0 "[ . 1 . 2]" 1
613 1 47 ARG HA 1 47 ARG QG . . 3.770 2.240 2.036 2.342 . 0 0 "[ . 1 . 2]" 1
614 1 47 ARG HA 1 49 GLN H . . 4.130 4.118 3.828 4.161 0.031 2 0 "[ . 1 . 2]" 1
615 1 47 ARG HA 1 49 GLN HA . . 5.550 5.647 5.469 5.709 0.159 7 0 "[ . 1 . 2]" 1
616 1 47 ARG HA 1 50 ALA H . . 3.330 3.199 2.937 3.342 0.012 6 0 "[ . 1 . 2]" 1
617 1 47 ARG HA 1 50 ALA HA . . 5.000 3.933 3.840 4.033 . 0 0 "[ . 1 . 2]" 1
618 1 47 ARG HA 1 50 ALA MB . . 2.510 1.988 1.911 2.089 . 0 0 "[ . 1 . 2]" 1
619 1 47 ARG QB 1 48 GLU H . . 4.110 2.285 2.201 2.405 . 0 0 "[ . 1 . 2]" 1
620 1 47 ARG HB2 1 47 ARG HD2 . . 3.600 3.189 2.833 3.689 0.089 2 0 "[ . 1 . 2]" 1
621 1 47 ARG HB2 1 48 GLU H . . 5.000 2.352 2.228 2.737 . 0 0 "[ . 1 . 2]" 1
622 1 47 ARG HB2 1 48 GLU HA . . 5.000 4.158 3.958 4.771 . 0 0 "[ . 1 . 2]" 1
623 1 47 ARG HB2 1 48 GLU HB3 . . 5.170 5.009 4.340 5.181 0.011 7 0 "[ . 1 . 2]" 1
624 1 47 ARG HB2 1 49 GLN H . . 5.500 4.942 4.864 5.151 . 0 0 "[ . 1 . 2]" 1
625 1 47 ARG QG 1 48 GLU H . . 5.540 4.006 3.819 4.270 . 0 0 "[ . 1 . 2]" 1
626 1 48 GLU H 1 48 GLU QB . . 3.490 2.204 2.143 2.247 . 0 0 "[ . 1 . 2]" 1
627 1 48 GLU H 1 49 GLN H . . 3.240 3.075 2.998 3.096 . 0 0 "[ . 1 . 2]" 1
628 1 48 GLU H 1 49 GLN HG2 . . 5.200 4.682 4.542 4.759 . 0 0 "[ . 1 . 2]" 1
629 1 48 GLU H 1 50 ALA H . . 5.000 4.547 4.457 4.678 . 0 0 "[ . 1 . 2]" 1
630 1 48 GLU HA 1 48 GLU HB2 . . 3.000 2.485 2.341 2.553 . 0 0 "[ . 1 . 2]" 1
631 1 48 GLU HA 1 49 GLN H . . 3.690 3.611 3.578 3.616 . 0 0 "[ . 1 . 2]" 1
632 1 48 GLU HA 1 49 GLN HG2 . . 5.500 5.316 5.099 5.437 . 0 0 "[ . 1 . 2]" 1
633 1 48 GLU QB 1 49 GLN H . . 4.450 2.627 2.545 3.505 . 0 0 "[ . 1 . 2]" 1
634 1 48 GLU HB2 1 49 GLN HG2 . . 5.200 4.973 4.649 5.209 0.009 2 0 "[ . 1 . 2]" 1
635 1 48 GLU HG2 1 49 GLN HG2 . . 5.200 4.445 2.147 5.070 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLN H 1 49 GLN QB . . 3.730 3.077 3.039 3.183 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLN H 1 49 GLN QG . . 4.490 1.999 1.936 2.141 . 0 0 "[ . 1 . 2]" 1
638 1 49 GLN H 1 50 ALA H . . 3.900 2.856 2.610 2.972 . 0 0 "[ . 1 . 2]" 1
639 1 49 GLN HA 1 50 ALA H . . 3.800 2.715 2.659 2.759 . 0 0 "[ . 1 . 2]" 1
640 1 49 GLN HA 1 52 GLY QA . . 4.570 3.606 3.537 3.724 . 0 0 "[ . 1 . 2]" 1
641 1 49 GLN HB2 1 50 ALA H . . 5.120 4.512 4.491 4.533 . 0 0 "[ . 1 . 2]" 1
642 1 49 GLN HB2 1 50 ALA HA . . 5.120 5.128 5.074 5.175 0.055 13 0 "[ . 1 . 2]" 1
643 1 49 GLN HB2 1 54 ALA HA . . 5.000 4.305 4.088 4.507 . 0 0 "[ . 1 . 2]" 1
644 1 49 GLN QG 2 1 HEM HBC1 . . 4.920 3.212 3.068 3.385 . 0 0 "[ . 1 . 2]" 1
645 1 49 GLN QG 2 1 HEM HBC2 . . 5.480 2.666 2.580 2.806 . 0 0 "[ . 1 . 2]" 1
646 1 49 GLN HG2 1 54 ALA HA . . 5.120 5.087 4.945 5.149 0.029 20 0 "[ . 1 . 2]" 1
647 1 49 GLN HG2 1 54 ALA MB . . 5.000 3.412 3.187 3.672 . 0 0 "[ . 1 . 2]" 1
648 1 50 ALA H 1 50 ALA MB . . 2.400 2.024 1.998 2.045 . 0 0 "[ . 1 . 2]" 1
649 1 50 ALA H 1 51 GLY H . . 3.800 3.245 3.165 3.330 . 0 0 "[ . 1 . 2]" 1
650 1 50 ALA HA 1 50 ALA MB . . 2.400 2.126 2.119 2.131 . 0 0 "[ . 1 . 2]" 1
651 1 50 ALA HA 1 51 GLY H . . 3.680 3.568 3.550 3.588 . 0 0 "[ . 1 . 2]" 1
652 1 50 ALA HA 1 52 GLY H . . 5.000 4.180 4.112 4.228 . 0 0 "[ . 1 . 2]" 1
653 1 50 ALA MB 1 51 GLY H . . 2.520 1.963 1.914 2.025 . 0 0 "[ . 1 . 2]" 1
654 1 50 ALA MB 1 52 GLY H . . 5.000 3.848 3.792 3.886 . 0 0 "[ . 1 . 2]" 1
655 1 51 GLY H 1 52 GLY H . . 3.390 2.942 2.893 3.030 . 0 0 "[ . 1 . 2]" 1
656 1 51 GLY QA 1 52 GLY H . . 4.000 2.855 2.820 2.882 . 0 0 "[ . 1 . 2]" 1
657 1 52 GLY H 1 53 ASP H . . 4.450 4.166 4.129 4.231 . 0 0 "[ . 1 . 2]" 1
658 1 52 GLY QA 1 53 ASP H . . 3.140 2.198 2.189 2.214 . 0 0 "[ . 1 . 2]" 1
659 1 53 ASP H 1 53 ASP HB2 . . 3.830 3.550 3.145 3.831 0.001 16 0 "[ . 1 . 2]" 1
660 1 53 ASP H 1 53 ASP QB . . 3.410 2.769 2.434 3.063 . 0 0 "[ . 1 . 2]" 1
661 1 53 ASP H 1 53 ASP HB3 . . 3.210 2.890 2.526 3.221 0.011 16 0 "[ . 1 . 2]" 1
662 1 53 ASP H 1 54 ALA H . . 4.540 4.097 4.028 4.173 . 0 0 "[ . 1 . 2]" 1
663 1 53 ASP HA 1 54 ALA H . . 2.990 2.255 2.252 2.260 . 0 0 "[ . 1 . 2]" 1
664 1 53 ASP QB 1 54 ALA H . . 4.380 3.714 3.468 3.973 . 0 0 "[ . 1 . 2]" 1
665 1 53 ASP QB 1 55 THR H . . 4.480 3.392 2.877 3.949 . 0 0 "[ . 1 . 2]" 1
666 1 53 ASP HB2 1 54 ALA H . . 4.490 4.011 3.618 4.459 . 0 0 "[ . 1 . 2]" 1
667 1 53 ASP HB3 1 54 ALA H . . 4.500 4.470 4.402 4.509 0.009 4 0 "[ . 1 . 2]" 1
668 1 54 ALA H 1 54 ALA MB . . 2.810 2.399 2.376 2.419 . 0 0 "[ . 1 . 2]" 1
669 1 54 ALA H 1 55 THR H . . 3.550 2.499 2.302 2.651 . 0 0 "[ . 1 . 2]" 1
670 1 54 ALA H 1 55 THR HA . . 4.350 4.272 4.232 4.334 . 0 0 "[ . 1 . 2]" 1
671 1 54 ALA HA 1 55 THR H . . 3.420 3.044 2.946 3.138 . 0 0 "[ . 1 . 2]" 1
672 1 54 ALA HA 1 56 GLU H . . 4.440 4.246 4.064 4.478 0.038 2 0 "[ . 1 . 2]" 1
673 1 54 ALA HA 1 57 ASN H . . 5.500 3.057 2.951 3.195 . 0 0 "[ . 1 . 2]" 1
674 1 54 ALA MB 1 57 ASN QB . . 4.150 2.351 2.183 2.442 . 0 0 "[ . 1 . 2]" 1
675 1 55 THR H 1 55 THR HB . . 3.330 2.270 2.197 2.393 . 0 0 "[ . 1 . 2]" 1
676 1 55 THR H 1 55 THR HG1 . . 3.600 2.700 2.207 3.385 . 0 0 "[ . 1 . 2]" 1
677 1 55 THR H 1 56 GLU H . . 3.550 3.033 2.895 3.185 . 0 0 "[ . 1 . 2]" 1
678 1 55 THR H 1 57 ASN H . . 5.000 3.982 3.798 4.091 . 0 0 "[ . 1 . 2]" 1
679 1 55 THR HA 1 55 THR HG1 . . 3.900 2.745 2.036 3.393 . 0 0 "[ . 1 . 2]" 1
680 1 55 THR HA 1 55 THR MG . . 2.990 2.583 2.506 2.625 . 0 0 "[ . 1 . 2]" 1
681 1 55 THR HA 1 56 GLU H . . 4.700 3.631 3.623 3.634 . 0 0 "[ . 1 . 2]" 1
682 1 55 THR HA 1 58 PHE H . . 3.740 3.612 3.512 3.715 . 0 0 "[ . 1 . 2]" 1
683 1 55 THR HA 1 58 PHE HA . . 5.520 5.610 5.516 5.747 0.227 15 0 "[ . 1 . 2]" 1
684 1 55 THR HA 1 59 GLU H . . 4.170 4.141 4.048 4.240 0.070 15 0 "[ . 1 . 2]" 1
685 1 55 THR HA 1 59 GLU HA . . 5.390 6.284 6.179 6.366 0.976 15 20 [**************+****-] 1
686 1 55 THR MG 1 56 GLU H . . 3.110 2.930 2.874 2.966 . 0 0 "[ . 1 . 2]" 1
687 1 55 THR MG 1 57 ASN H . . 5.220 4.823 4.759 4.863 . 0 0 "[ . 1 . 2]" 1
688 1 55 THR MG 1 58 PHE H . . 5.000 4.505 4.457 4.565 . 0 0 "[ . 1 . 2]" 1
689 1 55 THR MG 1 59 GLU H . . 5.000 4.082 3.988 4.152 . 0 0 "[ . 1 . 2]" 1
690 1 56 GLU H 1 56 GLU HB2 . . 3.600 2.443 2.416 2.517 . 0 0 "[ . 1 . 2]" 1
691 1 56 GLU H 1 56 GLU HB3 . . 3.900 3.548 3.544 3.557 . 0 0 "[ . 1 . 2]" 1
692 1 56 GLU H 1 56 GLU HG2 . . 4.900 3.076 2.161 3.877 . 0 0 "[ . 1 . 2]" 1
693 1 56 GLU H 1 57 ASN H . . 3.170 2.653 2.581 2.747 . 0 0 "[ . 1 . 2]" 1
694 1 56 GLU HA 1 56 GLU HB2 . . 3.050 3.050 3.048 3.051 0.001 15 0 "[ . 1 . 2]" 1
695 1 56 GLU HA 1 57 ASN H . . 3.600 3.596 3.578 3.611 0.011 8 0 "[ . 1 . 2]" 1
696 1 56 GLU HA 1 57 ASN HA . . 5.000 4.779 4.760 4.827 . 0 0 "[ . 1 . 2]" 1
697 1 56 GLU HA 1 58 PHE H . . 5.000 3.631 3.510 3.767 . 0 0 "[ . 1 . 2]" 1
698 1 56 GLU HA 1 59 GLU H . . 5.000 2.967 2.850 3.095 . 0 0 "[ . 1 . 2]" 1
699 1 56 GLU HA 1 60 ASP H . . 3.360 3.260 3.185 3.360 . 16 0 "[ . 1 . 2]" 1
700 1 56 GLU QB 1 57 ASN H . . 3.200 2.667 2.578 2.763 . 0 0 "[ . 1 . 2]" 1
701 1 56 GLU QB 1 60 ASP H . . 4.700 4.058 3.926 4.147 . 0 0 "[ . 1 . 2]" 1
702 1 56 GLU HB2 1 57 ASN H . . 3.670 2.729 2.634 2.838 . 0 0 "[ . 1 . 2]" 1
703 1 56 GLU HB3 1 57 ASN H . . 3.760 3.749 3.664 3.801 0.041 7 0 "[ . 1 . 2]" 1
704 1 57 ASN H 1 57 ASN HA . . 2.900 2.761 2.720 2.774 . 0 0 "[ . 1 . 2]" 1
705 1 57 ASN H 1 57 ASN HB2 . . 3.270 2.120 2.078 2.164 . 0 0 "[ . 1 . 2]" 1
706 1 57 ASN H 1 57 ASN QB . . 2.930 2.100 2.060 2.143 . 0 0 "[ . 1 . 2]" 1
707 1 57 ASN H 1 57 ASN HB3 . . 3.490 3.422 3.380 3.458 . 0 0 "[ . 1 . 2]" 1
708 1 57 ASN H 1 58 PHE H . . 3.110 2.606 2.568 2.692 . 0 0 "[ . 1 . 2]" 1
709 1 57 ASN HA 1 60 ASP HB2 . . 3.510 3.440 3.180 3.564 0.054 7 0 "[ . 1 . 2]" 1
710 1 57 ASN HA 1 60 ASP QB . . 3.050 2.733 2.598 2.861 . 0 0 "[ . 1 . 2]" 1
711 1 57 ASN HA 1 60 ASP HB3 . . 3.360 2.881 2.675 3.241 . 0 0 "[ . 1 . 2]" 1
712 1 57 ASN QB 1 58 PHE H . . 3.770 3.103 2.981 3.211 . 0 0 "[ . 1 . 2]" 1
713 1 57 ASN QB 2 1 HEM HAC . . 4.020 2.668 2.505 2.811 . 0 0 "[ . 1 . 2]" 1
714 1 57 ASN QB 2 1 HEM HBC1 . . 4.500 4.003 3.944 4.069 . 0 0 "[ . 1 . 2]" 1
715 1 57 ASN HB2 2 1 HEM HBC1 . . 4.880 4.890 4.786 4.926 0.046 7 0 "[ . 1 . 2]" 1
716 1 57 ASN HB2 2 1 HEM HBC2 . . 4.380 3.702 3.605 3.790 . 0 0 "[ . 1 . 2]" 1
717 1 57 ASN HB3 2 1 HEM HBC1 . . 4.820 4.251 4.157 4.349 . 0 0 "[ . 1 . 2]" 1
718 1 57 ASN HB3 2 1 HEM HBC2 . . 4.380 2.827 2.733 2.951 . 0 0 "[ . 1 . 2]" 1
719 1 58 PHE H 1 58 PHE HB2 . . 3.210 2.864 2.721 3.029 . 0 0 "[ . 1 . 2]" 1
720 1 58 PHE H 1 58 PHE QB . . 2.850 2.078 1.990 2.171 . 0 0 "[ . 1 . 2]" 1
721 1 58 PHE H 1 58 PHE HB3 . . 3.210 2.144 2.023 2.278 . 0 0 "[ . 1 . 2]" 1
722 1 58 PHE H 1 58 PHE HD2 . . 5.220 4.796 4.389 5.128 . 0 0 "[ . 1 . 2]" 1
723 1 58 PHE H 1 59 GLU H . . 3.640 2.220 2.161 2.311 . 0 0 "[ . 1 . 2]" 1
724 1 58 PHE H 1 59 GLU QG . . 4.870 4.002 3.527 4.258 . 0 0 "[ . 1 . 2]" 1
725 1 58 PHE HA 1 58 PHE HD2 . . 4.530 3.940 3.429 4.501 . 0 0 "[ . 1 . 2]" 1
726 1 58 PHE HA 1 61 VAL MG1 . . 3.520 3.251 3.176 3.332 . 0 0 "[ . 1 . 2]" 1
727 1 58 PHE QB 1 58 PHE HD2 . . 3.150 2.300 2.276 2.332 . 0 0 "[ . 1 . 2]" 1
728 1 58 PHE QB 1 63 HIS HD1 . . 4.900 4.297 4.116 4.436 . 0 0 "[ . 1 . 2]" 1
729 1 58 PHE HB2 1 58 PHE HD2 . . 3.500 2.867 2.339 3.513 0.013 20 0 "[ . 1 . 2]" 1
730 1 58 PHE HB3 1 58 PHE HD2 . . 3.660 3.004 2.307 3.593 . 0 0 "[ . 1 . 2]" 1
731 1 58 PHE HD2 1 59 GLU H . . 5.500 4.637 3.311 5.521 0.021 2 0 "[ . 1 . 2]" 1
732 1 58 PHE HD2 1 59 GLU QG . . 5.590 4.781 2.332 5.432 . 0 0 "[ . 1 . 2]" 1
733 1 58 PHE HD2 1 63 HIS HD1 . . 4.580 4.205 3.698 4.604 0.024 10 0 "[ . 1 . 2]" 1
734 1 59 GLU H 1 59 GLU QB . . 3.630 2.360 2.259 2.568 . 0 0 "[ . 1 . 2]" 1
735 1 59 GLU H 1 60 ASP H . . 2.430 2.404 2.355 2.449 0.019 15 0 "[ . 1 . 2]" 1
736 1 59 GLU H 1 61 VAL H . . 5.000 4.135 4.074 4.311 . 0 0 "[ . 1 . 2]" 1
737 1 59 GLU H 1 62 GLY H . . 4.800 4.690 4.634 4.787 . 0 0 "[ . 1 . 2]" 1
738 1 59 GLU HA 1 61 VAL H . . 4.300 4.259 4.198 4.307 0.007 15 0 "[ . 1 . 2]" 1
739 1 59 GLU HA 1 62 GLY H . . 4.500 3.119 3.079 3.167 . 0 0 "[ . 1 . 2]" 1
740 1 59 GLU HA 1 62 GLY HA2 . . 5.000 3.391 3.313 3.486 . 0 0 "[ . 1 . 2]" 1
741 1 59 GLU HA 1 62 GLY HA3 . . 5.050 4.992 4.921 5.074 0.024 19 0 "[ . 1 . 2]" 1
742 1 59 GLU HA 1 63 HIS H . . 4.000 3.355 3.161 3.491 . 0 0 "[ . 1 . 2]" 1
743 1 59 GLU HA 1 63 HIS HB2 . . 5.000 4.513 4.198 4.740 . 0 0 "[ . 1 . 2]" 1
744 1 59 GLU QB 1 60 ASP H . . 3.990 3.042 2.743 3.653 . 0 0 "[ . 1 . 2]" 1
745 1 60 ASP H 1 60 ASP HB2 . . 3.210 2.373 2.144 2.550 . 0 0 "[ . 1 . 2]" 1
746 1 60 ASP H 1 60 ASP QB . . 2.990 2.170 2.082 2.187 . 0 0 "[ . 1 . 2]" 1
747 1 60 ASP H 1 60 ASP HB3 . . 3.210 2.546 2.364 2.824 . 0 0 "[ . 1 . 2]" 1
748 1 60 ASP H 1 61 VAL H . . 3.330 2.723 2.657 2.762 . 0 0 "[ . 1 . 2]" 1
749 1 60 ASP HA 1 60 ASP HB3 . . 3.060 3.052 3.031 3.056 . 0 0 "[ . 1 . 2]" 1
750 1 60 ASP HA 1 61 VAL H . . 3.900 3.622 3.614 3.629 . 0 0 "[ . 1 . 2]" 1
751 1 60 ASP HA 1 61 VAL MG1 . . 5.550 4.711 4.683 4.753 . 0 0 "[ . 1 . 2]" 1
752 1 60 ASP HA 1 62 GLY H . . 3.810 3.777 3.705 3.813 0.003 13 0 "[ . 1 . 2]" 1
753 1 60 ASP HA 1 62 GLY HA2 . . 5.240 5.195 5.128 5.244 0.004 2 0 "[ . 1 . 2]" 1
754 1 60 ASP QB 1 61 VAL MG2 . . 5.570 4.181 4.149 4.220 . 0 0 "[ . 1 . 2]" 1
755 1 60 ASP HB2 1 61 VAL H . . 3.860 3.775 3.522 3.885 0.025 7 0 "[ . 1 . 2]" 1
756 1 60 ASP HB3 1 61 VAL H . . 3.730 2.495 2.455 2.556 . 0 0 "[ . 1 . 2]" 1
757 1 60 ASP HB3 1 61 VAL HB . . 5.500 5.392 5.234 5.526 0.026 9 0 "[ . 1 . 2]" 1
758 1 60 ASP HB3 1 62 GLY H . . 5.000 4.549 4.513 4.603 . 0 0 "[ . 1 . 2]" 1
759 1 61 VAL H 1 61 VAL HB . . 3.540 3.532 3.527 3.537 . 0 0 "[ . 1 . 2]" 1
760 1 61 VAL H 1 61 VAL MG1 . . 3.090 1.917 1.892 1.936 . 0 0 "[ . 1 . 2]" 1
761 1 61 VAL H 1 61 VAL MG2 . . 2.960 2.380 2.361 2.397 . 0 0 "[ . 1 . 2]" 1
762 1 61 VAL H 1 62 GLY H . . 3.300 2.536 2.507 2.569 . 0 0 "[ . 1 . 2]" 1
763 1 61 VAL H 1 63 HIS H . . 5.190 5.188 5.147 5.219 0.029 15 0 "[ . 1 . 2]" 1
764 1 61 VAL HA 1 61 VAL HB . . 2.560 2.378 2.370 2.388 . 0 0 "[ . 1 . 2]" 1
765 1 61 VAL HA 1 62 GLY H . . 3.580 3.459 3.444 3.473 . 0 0 "[ . 1 . 2]" 1
766 1 61 VAL HB 1 62 GLY H . . 4.480 4.295 4.257 4.319 . 0 0 "[ . 1 . 2]" 1
767 1 61 VAL MG1 1 61 VAL MG2 . . 2.400 1.976 1.962 1.986 . 0 0 "[ . 1 . 2]" 1
768 1 61 VAL MG1 1 63 HIS HD1 . . 4.900 4.396 4.360 4.420 . 0 0 "[ . 1 . 2]" 1
769 1 61 VAL MG1 2 1 HEM HAC . . 3.510 3.366 3.323 3.390 . 0 0 "[ . 1 . 2]" 1
770 1 61 VAL MG2 1 62 GLY H . . 3.830 2.408 2.333 2.465 . 0 0 "[ . 1 . 2]" 1
771 1 61 VAL MG2 1 63 HIS H . . 4.730 3.134 3.106 3.180 . 0 0 "[ . 1 . 2]" 1
772 1 61 VAL MG2 1 63 HIS HD1 . . 3.210 2.014 1.967 2.091 . 0 0 "[ . 1 . 2]" 1
773 1 61 VAL MG2 2 1 HEM HAC . . 4.660 4.077 4.044 4.102 . 0 0 "[ . 1 . 2]" 1
774 1 61 VAL MG2 2 1 HEM HBC2 . . 5.650 6.095 6.075 6.126 0.476 9 0 "[ . 1 . 2]" 1
775 1 62 GLY H 1 62 GLY HA2 . . 2.930 2.247 2.245 2.251 . 0 0 "[ . 1 . 2]" 1
776 1 62 GLY H 1 62 GLY HA3 . . 2.930 2.794 2.775 2.824 . 0 0 "[ . 1 . 2]" 1
777 1 62 GLY H 1 63 HIS H . . 3.280 3.264 3.190 3.325 0.045 15 0 "[ . 1 . 2]" 1
778 1 62 GLY H 1 63 HIS HB2 . . 5.560 5.307 5.198 5.398 . 0 0 "[ . 1 . 2]" 1
779 1 62 GLY H 1 63 HIS HE1 . . 5.500 5.231 5.141 5.313 . 0 0 "[ . 1 . 2]" 1
780 1 62 GLY HA2 1 63 HIS H . . 3.480 2.382 2.371 2.397 . 0 0 "[ . 1 . 2]" 1
781 1 62 GLY HA2 1 63 HIS HA . . 5.000 4.506 4.499 4.513 . 0 0 "[ . 1 . 2]" 1
782 1 62 GLY HA2 1 63 HIS HB2 . . 5.600 4.533 4.516 4.546 . 0 0 "[ . 1 . 2]" 1
783 1 62 GLY HA3 1 63 HIS H . . 3.600 3.585 3.580 3.593 . 0 0 "[ . 1 . 2]" 1
784 1 63 HIS H 1 63 HIS HB2 . . 3.500 2.217 2.207 2.227 . 0 0 "[ . 1 . 2]" 1
785 1 63 HIS H 1 63 HIS QB . . 3.220 2.193 2.184 2.204 . 0 0 "[ . 1 . 2]" 1
786 1 63 HIS H 1 63 HIS HB3 . . 3.490 3.490 3.484 3.495 0.005 18 0 "[ . 1 . 2]" 1
787 1 63 HIS H 1 63 HIS HD1 . . 3.860 2.389 2.330 2.444 . 0 0 "[ . 1 . 2]" 1
788 1 63 HIS H 1 64 SER H . . 4.650 4.630 4.627 4.632 . 0 0 "[ . 1 . 2]" 1
789 1 63 HIS HA 1 64 SER H . . 2.590 2.265 2.259 2.268 . 0 0 "[ . 1 . 2]" 1
790 1 63 HIS HA 1 67 ALA MB . . 4.520 3.588 3.549 3.614 . 0 0 "[ . 1 . 2]" 1
791 1 63 HIS QB 1 67 ALA MB . . 3.540 1.881 1.856 1.893 . 0 0 "[ . 1 . 2]" 1
792 1 63 HIS HB2 1 64 SER H . . 4.250 4.253 4.244 4.267 0.017 12 0 "[ . 1 . 2]" 1
793 1 63 HIS HB3 1 64 SER H . . 3.610 3.103 3.096 3.129 . 0 0 "[ . 1 . 2]" 1
794 1 63 HIS HD2 1 67 ALA MB . . 2.880 2.174 2.081 2.235 . 0 0 "[ . 1 . 2]" 1
795 1 63 HIS HE1 2 1 HEM HAC . . 4.380 4.141 4.051 4.185 . 0 0 "[ . 1 . 2]" 1
796 1 63 HIS NE2 2 1 HEM FE . . 2.000 1.939 1.863 2.002 0.002 18 0 "[ . 1 . 2]" 1
797 1 64 SER H 1 64 SER QB . . 3.720 2.299 2.052 2.860 . 0 0 "[ . 1 . 2]" 1
798 1 64 SER H 1 65 THR H . . 4.630 4.591 4.579 4.598 . 0 0 "[ . 1 . 2]" 1
799 1 64 SER H 1 67 ALA H . . 4.290 3.741 3.662 3.783 . 0 0 "[ . 1 . 2]" 1
800 1 64 SER H 1 67 ALA MB . . 3.220 3.004 2.955 3.054 . 0 0 "[ . 1 . 2]" 1
801 1 64 SER HA 1 65 THR H . . 3.680 2.577 2.567 2.580 . 0 0 "[ . 1 . 2]" 1
802 1 64 SER QB 1 66 ASP H . . 3.520 2.639 2.511 2.810 . 0 0 "[ . 1 . 2]" 1
803 1 65 THR H 1 65 THR HB . . 2.770 2.101 2.079 2.160 . 0 0 "[ . 1 . 2]" 1
804 1 65 THR H 1 66 ASP H . . 3.420 2.875 2.837 2.926 . 0 0 "[ . 1 . 2]" 1
805 1 65 THR H 1 67 ALA H . . 4.300 4.300 4.259 4.327 0.027 19 0 "[ . 1 . 2]" 1
806 1 65 THR HA 1 68 ARG H . . 2.960 2.871 2.798 2.918 . 0 0 "[ . 1 . 2]" 1
807 1 65 THR HA 1 68 ARG QB . . 3.680 2.156 1.999 2.549 . 0 0 "[ . 1 . 2]" 1
808 1 65 THR HA 1 69 GLU H . . 4.610 4.460 4.243 4.566 . 0 0 "[ . 1 . 2]" 1
809 1 65 THR HB 1 66 ASP H . . 3.140 2.847 2.766 2.951 . 0 0 "[ . 1 . 2]" 1
810 1 65 THR MG 1 66 ASP HA . . 3.040 2.972 2.941 3.036 . 0 0 "[ . 1 . 2]" 1
811 1 66 ASP H 1 66 ASP QB . . 3.520 2.276 2.030 2.741 . 0 0 "[ . 1 . 2]" 1
812 1 66 ASP H 1 67 ALA H . . 3.550 2.928 2.880 2.957 . 0 0 "[ . 1 . 2]" 1
813 1 66 ASP HA 1 67 ALA H . . 3.600 3.611 3.599 3.619 0.019 19 0 "[ . 1 . 2]" 1
814 1 66 ASP HA 1 67 ALA HA . . 4.900 4.801 4.770 4.815 . 0 0 "[ . 1 . 2]" 1
815 1 66 ASP HA 1 68 ARG H . . 4.650 4.652 4.559 4.708 0.058 5 0 "[ . 1 . 2]" 1
816 1 66 ASP HA 1 69 GLU H . . 3.850 3.771 3.647 3.860 0.010 3 0 "[ . 1 . 2]" 1
817 1 66 ASP HB2 1 67 ALA H . . 5.000 2.961 2.529 4.030 . 0 0 "[ . 1 . 2]" 1
818 1 67 ALA H 1 67 ALA MB . . 2.400 2.159 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
819 1 67 ALA H 1 68 ARG H . . 3.700 2.602 2.519 2.651 . 0 0 "[ . 1 . 2]" 1
820 1 67 ALA HA 1 68 ARG H . . 4.000 3.620 3.613 3.624 . 0 0 "[ . 1 . 2]" 1
821 1 67 ALA HA 1 69 GLU H . . 4.500 4.066 3.663 4.267 . 0 0 "[ . 1 . 2]" 1
822 1 67 ALA HA 1 70 LEU H . . 3.170 3.147 3.054 3.202 0.032 13 0 "[ . 1 . 2]" 1
823 1 67 ALA HA 1 71 SER H . . 3.350 3.346 3.249 3.378 0.028 8 0 "[ . 1 . 2]" 1
824 1 67 ALA MB 1 68 ARG H . . 3.810 2.472 2.436 2.524 . 0 0 "[ . 1 . 2]" 1
825 1 68 ARG H 1 68 ARG HB2 . . 3.500 2.184 2.050 2.506 . 0 0 "[ . 1 . 2]" 1
826 1 68 ARG H 1 68 ARG QG . . 4.640 3.384 2.164 3.956 . 0 0 "[ . 1 . 2]" 1
827 1 68 ARG H 1 69 GLU H . . 3.450 2.953 2.812 3.023 . 0 0 "[ . 1 . 2]" 1
828 1 68 ARG HA 1 69 GLU H . . 4.500 3.601 3.516 3.629 . 0 0 "[ . 1 . 2]" 1
829 1 68 ARG QB 1 69 GLU H . . 3.800 2.637 2.445 2.998 . 0 0 "[ . 1 . 2]" 1
830 1 69 GLU H 1 69 GLU QB . . 3.610 2.092 2.016 2.281 . 0 0 "[ . 1 . 2]" 1
831 1 69 GLU H 1 69 GLU QG . . 4.920 3.416 2.474 4.053 . 0 0 "[ . 1 . 2]" 1
832 1 69 GLU H 1 70 LEU H . . 3.140 2.706 2.551 2.784 . 0 0 "[ . 1 . 2]" 1
833 1 69 GLU HA 1 69 GLU QG . . 3.630 2.189 1.957 2.637 . 0 0 "[ . 1 . 2]" 1
834 1 69 GLU HA 1 70 LEU H . . 3.640 3.636 3.626 3.642 0.002 13 0 "[ . 1 . 2]" 1
835 1 69 GLU HA 1 72 LYS QB . . 3.900 3.064 2.838 3.410 . 0 0 "[ . 1 . 2]" 1
836 1 69 GLU QB 1 70 LEU H . . 3.930 2.466 2.325 2.617 . 0 0 "[ . 1 . 2]" 1
837 1 70 LEU H 1 70 LEU HA . . 2.830 2.771 2.727 2.816 . 0 0 "[ . 1 . 2]" 1
838 1 70 LEU H 1 70 LEU HB2 . . 3.550 2.176 2.110 2.373 . 0 0 "[ . 1 . 2]" 1
839 1 70 LEU H 1 70 LEU QB . . 3.090 2.154 2.091 2.338 . 0 0 "[ . 1 . 2]" 1
840 1 70 LEU H 1 70 LEU HB3 . . 3.550 3.458 3.423 3.532 . 0 0 "[ . 1 . 2]" 1
841 1 70 LEU H 1 70 LEU MD1 . . 3.450 2.056 1.924 2.232 . 0 0 "[ . 1 . 2]" 1
842 1 70 LEU H 1 70 LEU MD2 . . 3.730 3.292 2.319 3.497 . 0 0 "[ . 1 . 2]" 1
843 1 70 LEU H 1 70 LEU HG . . 4.160 4.084 3.962 4.176 0.016 5 0 "[ . 1 . 2]" 1
844 1 70 LEU H 1 71 SER H . . 3.390 2.980 2.802 3.066 . 0 0 "[ . 1 . 2]" 1
845 1 70 LEU HA 1 70 LEU MD1 . . 2.400 2.021 1.852 2.181 . 0 0 "[ . 1 . 2]" 1
846 1 70 LEU HA 1 70 LEU HG . . 3.610 2.839 2.703 3.298 . 0 0 "[ . 1 . 2]" 1
847 1 70 LEU HA 1 72 LYS H . . 4.600 4.597 4.452 4.699 0.099 10 0 "[ . 1 . 2]" 1
848 1 70 LEU HA 1 73 THR H . . 4.110 3.255 3.141 3.372 . 0 0 "[ . 1 . 2]" 1
849 1 70 LEU MD1 1 74 TYR QE . . 3.370 3.140 2.931 3.212 . 0 0 "[ . 1 . 2]" 1
850 1 70 LEU HG 1 71 SER H . . 4.940 4.908 4.857 4.994 0.054 8 0 "[ . 1 . 2]" 1
851 1 70 LEU HG 1 74 TYR QE . . 5.500 2.179 1.995 2.632 . 0 0 "[ . 1 . 2]" 1
852 1 71 SER H 1 71 SER QB . . 3.500 2.551 2.067 2.658 . 0 0 "[ . 1 . 2]" 1
853 1 71 SER H 1 72 LYS H . . 3.550 3.190 3.081 3.261 . 0 0 "[ . 1 . 2]" 1
854 1 71 SER H 1 74 TYR QE . . 5.600 5.781 5.629 5.928 0.328 13 0 "[ . 1 . 2]" 1
855 1 71 SER HA 1 74 TYR H . . 5.000 3.388 3.140 3.530 . 0 0 "[ . 1 . 2]" 1
856 1 71 SER HA 1 75 ILE H . . 5.530 5.594 5.397 5.664 0.134 2 0 "[ . 1 . 2]" 1
857 1 71 SER HA 2 1 HEM HBB1 . . 5.500 2.000 1.972 2.097 . 0 0 "[ . 1 . 2]" 1
858 1 71 SER QB 2 1 HEM HBB1 . . 5.540 2.479 1.961 3.076 . 0 0 "[ . 1 . 2]" 1
859 1 72 LYS H 1 72 LYS QB . . 3.510 2.055 1.984 2.176 . 0 0 "[ . 1 . 2]" 1
860 1 72 LYS H 1 72 LYS QG . . 4.240 3.513 2.939 3.915 . 0 0 "[ . 1 . 2]" 1
861 1 72 LYS H 1 73 THR H . . 3.270 2.791 2.633 2.878 . 0 0 "[ . 1 . 2]" 1
862 1 72 LYS HA 1 74 TYR H . . 4.130 4.089 4.019 4.186 0.056 10 0 "[ . 1 . 2]" 1
863 1 72 LYS HA 1 75 ILE H . . 4.200 4.168 4.043 4.227 0.027 17 0 "[ . 1 . 2]" 1
864 1 72 LYS HA 1 75 ILE MG . . 3.860 2.772 2.454 3.120 . 0 0 "[ . 1 . 2]" 1
865 1 72 LYS QB 1 73 THR H . . 3.830 2.655 2.440 3.041 . 0 0 "[ . 1 . 2]" 1
866 1 73 THR H 1 73 THR HB . . 2.900 1.992 1.984 2.031 . 0 0 "[ . 1 . 2]" 1
867 1 73 THR H 1 73 THR MG . . 3.860 3.471 3.447 3.489 . 0 0 "[ . 1 . 2]" 1
868 1 73 THR H 1 74 TYR H . . 3.360 2.667 2.381 2.782 . 0 0 "[ . 1 . 2]" 1
869 1 73 THR HA 1 73 THR MG . . 3.580 2.797 2.766 2.817 . 0 0 "[ . 1 . 2]" 1
870 1 73 THR HA 1 75 ILE H . . 4.010 3.691 3.654 3.731 . 0 0 "[ . 1 . 2]" 1
871 1 73 THR HB 1 74 TYR H . . 3.760 3.248 3.223 3.289 . 0 0 "[ . 1 . 2]" 1
872 1 73 THR HB 1 74 TYR QD . . 3.290 3.210 3.131 3.279 . 0 0 "[ . 1 . 2]" 1
873 1 73 THR HB 1 74 TYR QE . . 4.390 4.368 4.277 4.403 0.013 8 0 "[ . 1 . 2]" 1
874 1 73 THR MG 1 74 TYR HA . . 3.490 3.295 3.273 3.321 . 0 0 "[ . 1 . 2]" 1
875 1 73 THR MG 1 74 TYR QD . . 2.870 2.335 2.236 2.424 . 0 0 "[ . 1 . 2]" 1
876 1 73 THR MG 1 74 TYR QE . . 3.160 2.854 2.757 2.928 . 0 0 "[ . 1 . 2]" 1
877 1 74 TYR H 1 74 TYR QB . . 3.730 2.099 2.083 2.122 . 0 0 "[ . 1 . 2]" 1
878 1 74 TYR H 1 74 TYR QD . . 3.580 2.599 2.537 2.622 . 0 0 "[ . 1 . 2]" 1
879 1 74 TYR H 1 75 ILE H . . 3.110 3.055 2.996 3.111 0.001 17 0 "[ . 1 . 2]" 1
880 1 74 TYR H 1 75 ILE HA . . 4.900 4.855 4.802 4.892 . 0 0 "[ . 1 . 2]" 1
881 1 74 TYR H 1 75 ILE MG . . 5.110 4.453 4.086 4.762 . 0 0 "[ . 1 . 2]" 1
882 1 74 TYR HA 1 74 TYR QD . . 4.450 3.079 3.055 3.110 . 0 0 "[ . 1 . 2]" 1
883 1 74 TYR HA 1 75 ILE H . . 2.900 2.869 2.834 2.902 0.002 10 0 "[ . 1 . 2]" 1
884 1 74 TYR HA 1 76 ILE MG . . 4.760 4.273 4.171 4.349 . 0 0 "[ . 1 . 2]" 1
885 1 75 ILE H 1 75 ILE HB . . 2.740 2.711 2.540 2.840 0.100 10 0 "[ . 1 . 2]" 1
886 1 75 ILE H 1 75 ILE MG . . 2.680 2.303 1.936 2.650 . 0 0 "[ . 1 . 2]" 1
887 1 75 ILE HA 1 75 ILE MD . . 4.670 3.139 1.923 3.728 . 0 0 "[ . 1 . 2]" 1
888 1 75 ILE HA 1 76 ILE H . . 2.900 2.256 2.252 2.289 . 0 0 "[ . 1 . 2]" 1
889 1 75 ILE HA 1 76 ILE QG . . 5.200 4.969 4.923 5.013 . 0 0 "[ . 1 . 2]" 1
890 1 75 ILE HA 1 77 GLY H . . 3.890 3.864 3.789 3.923 0.033 20 0 "[ . 1 . 2]" 1
891 1 75 ILE HB 1 76 ILE H . . 4.640 4.312 4.204 4.391 . 0 0 "[ . 1 . 2]" 1
892 1 75 ILE QG 1 76 ILE H . . 5.500 2.692 2.343 3.561 . 0 0 "[ . 1 . 2]" 1
893 1 75 ILE QG 1 77 GLY H . . 5.350 3.109 2.806 4.221 . 0 0 "[ . 1 . 2]" 1
894 1 75 ILE QG 1 77 GLY QA . . 5.420 3.819 3.451 4.917 . 0 0 "[ . 1 . 2]" 1
895 1 75 ILE MG 1 76 ILE H . . 4.540 3.535 3.191 3.864 . 0 0 "[ . 1 . 2]" 1
896 1 75 ILE MG 1 77 GLY H . . 5.530 4.258 3.818 4.606 . 0 0 "[ . 1 . 2]" 1
897 1 76 ILE H 1 76 ILE HB . . 3.880 3.807 3.793 3.826 . 0 0 "[ . 1 . 2]" 1
898 1 76 ILE H 1 76 ILE QG . . 3.530 3.044 2.978 3.098 . 0 0 "[ . 1 . 2]" 1
899 1 76 ILE H 1 76 ILE MG . . 2.620 2.493 2.459 2.551 . 0 0 "[ . 1 . 2]" 1
900 1 76 ILE H 1 77 GLY H . . 2.870 1.816 1.762 1.845 . 0 0 "[ . 1 . 2]" 1
901 1 76 ILE H 1 77 GLY QA . . 5.170 3.881 3.839 3.912 . 0 0 "[ . 1 . 2]" 1
902 1 76 ILE HA 1 77 GLY H . . 3.680 3.581 3.563 3.588 . 0 0 "[ . 1 . 2]" 1
903 1 76 ILE MD 1 76 ILE MG . . 3.690 1.811 1.800 1.828 . 0 0 "[ . 1 . 2]" 1
904 1 76 ILE MD 1 77 GLY H . . 3.880 1.974 1.889 2.282 . 0 0 "[ . 1 . 2]" 1
905 1 76 ILE MD 1 77 GLY QA . . 5.590 3.759 3.665 3.942 . 0 0 "[ . 1 . 2]" 1
906 1 76 ILE QG 1 77 GLY H . . 4.380 2.337 2.275 2.512 . 0 0 "[ . 1 . 2]" 1
907 1 76 ILE QG 1 77 GLY QA . . 5.550 2.920 2.894 2.962 . 0 0 "[ . 1 . 2]" 1
908 1 76 ILE MG 1 77 GLY H . . 4.080 3.695 3.674 3.721 . 0 0 "[ . 1 . 2]" 1
909 1 77 GLY H 1 78 GLU H . . 4.670 4.344 4.292 4.373 . 0 0 "[ . 1 . 2]" 1
910 1 77 GLY QA 1 78 GLU H . . 3.020 2.305 2.275 2.331 . 0 0 "[ . 1 . 2]" 1
911 1 78 GLU H 1 78 GLU QB . . 3.700 2.865 2.729 3.040 . 0 0 "[ . 1 . 2]" 1
912 1 78 GLU HA 1 79 LEU H . . 2.990 2.549 2.462 2.572 . 0 0 "[ . 1 . 2]" 1
913 1 78 GLU QB 1 79 LEU H . . 4.140 2.408 2.321 2.639 . 0 0 "[ . 1 . 2]" 1
914 1 79 LEU H 1 79 LEU QB . . 3.710 2.506 2.232 2.625 . 0 0 "[ . 1 . 2]" 1
915 1 79 LEU H 1 79 LEU MD1 . . 2.560 1.805 1.685 1.988 . 0 0 "[ . 1 . 2]" 1
916 1 79 LEU HA 1 80 HIS H . . 3.210 2.322 2.263 2.368 . 0 0 "[ . 1 . 2]" 1
917 1 79 LEU MD2 1 83 ASP QB . . 4.600 3.338 2.904 3.609 . 0 0 "[ . 1 . 2]" 1
918 1 79 LEU MD2 1 84 ARG HA . . 3.950 2.949 2.306 3.683 . 0 0 "[ . 1 . 2]" 1
919 1 80 HIS H 1 80 HIS QB . . 3.560 2.028 1.996 2.077 . 0 0 "[ . 1 . 2]" 1
920 1 80 HIS H 1 80 HIS HD1 . . 5.500 4.989 4.117 5.155 . 0 0 "[ . 1 . 2]" 1
921 1 80 HIS H 1 80 HIS HD2 . . 5.500 4.449 4.149 5.430 . 0 0 "[ . 1 . 2]" 1
922 1 80 HIS H 1 80 HIS HE1 . . 5.500 6.860 6.511 6.922 1.422 8 20 [*******+-***********] 1
923 1 80 HIS H 1 81 PRO HD2 . . 5.000 4.856 4.759 4.917 . 0 0 "[ . 1 . 2]" 1
924 1 80 HIS H 1 81 PRO QG . . 5.550 5.840 5.712 5.938 0.388 2 0 "[ . 1 . 2]" 1
925 1 80 HIS HA 1 80 HIS HD2 . . 5.000 2.283 2.033 4.639 . 0 0 "[ . 1 . 2]" 1
926 1 80 HIS HA 1 81 PRO HB3 . . 5.500 5.063 5.019 5.121 . 0 0 "[ . 1 . 2]" 1
927 1 80 HIS HB2 1 83 ASP H . . 5.500 4.415 4.078 4.771 . 0 0 "[ . 1 . 2]" 1
928 1 80 HIS HD2 1 81 PRO HD2 . . 5.300 2.338 1.831 4.918 . 0 0 "[ . 1 . 2]" 1
929 1 80 HIS HD2 1 81 PRO QG . . 5.510 4.112 3.583 6.343 0.833 9 1 "[ . +1 . 2]" 1
930 1 80 HIS HE1 1 82 ASP H . . 5.360 5.215 4.496 5.408 0.048 20 0 "[ . 1 . 2]" 1
931 1 80 HIS HE1 1 82 ASP HB2 . . 4.100 4.072 3.956 4.158 0.058 17 0 "[ . 1 . 2]" 1
932 1 80 HIS HE1 1 82 ASP HB3 . . 3.950 3.835 3.484 4.014 0.064 9 0 "[ . 1 . 2]" 1
933 1 81 PRO HA 1 83 ASP H . . 4.260 4.003 3.800 4.205 . 0 0 "[ . 1 . 2]" 1
934 1 81 PRO HA 1 84 ARG H . . 3.860 3.049 2.834 3.578 . 0 0 "[ . 1 . 2]" 1
935 1 81 PRO QB 1 82 ASP H . . 4.470 3.715 3.538 3.815 . 0 0 "[ . 1 . 2]" 1
936 1 81 PRO HB2 1 82 ASP H . . 4.670 3.935 3.713 4.063 . 0 0 "[ . 1 . 2]" 1
937 1 81 PRO HB3 1 82 ASP H . . 4.280 4.564 4.450 4.628 0.348 20 0 "[ . 1 . 2]" 1
938 1 81 PRO HD2 1 82 ASP H . . 5.500 2.600 2.375 2.769 . 0 0 "[ . 1 . 2]" 1
939 1 81 PRO HD3 1 82 ASP H . . 5.500 3.778 3.684 3.857 . 0 0 "[ . 1 . 2]" 1
940 1 81 PRO QG 1 82 ASP H . . 5.570 3.569 3.263 3.760 . 0 0 "[ . 1 . 2]" 1
941 1 82 ASP H 1 82 ASP HB2 . . 3.740 2.359 2.109 2.829 . 0 0 "[ . 1 . 2]" 1
942 1 82 ASP H 1 82 ASP HB3 . . 3.240 2.649 2.195 2.982 . 0 0 "[ . 1 . 2]" 1
943 1 82 ASP H 1 83 ASP H . . 3.300 2.376 2.344 2.471 . 0 0 "[ . 1 . 2]" 1
944 1 82 ASP H 1 83 ASP HA . . 5.090 4.976 4.934 5.043 . 0 0 "[ . 1 . 2]" 1
945 1 82 ASP H 1 84 ARG H . . 4.380 3.539 3.282 3.920 . 0 0 "[ . 1 . 2]" 1
946 1 82 ASP H 1 84 ARG QG . . 5.520 5.553 4.196 6.205 0.685 1 11 "[+ *. *** ** * -**2]" 1
947 1 83 ASP H 1 83 ASP QB . . 3.530 2.305 2.141 2.463 . 0 0 "[ . 1 . 2]" 1
948 1 83 ASP H 1 84 ARG H . . 2.990 2.310 2.060 2.809 . 0 0 "[ . 1 . 2]" 1
949 1 83 ASP H 1 84 ARG HA . . 4.850 4.563 4.428 4.734 . 0 0 "[ . 1 . 2]" 1
950 1 83 ASP H 1 85 SER H . . 4.530 4.257 3.829 4.717 0.187 14 0 "[ . 1 . 2]" 1
951 1 83 ASP HA 1 84 ARG H . . 3.580 3.348 2.993 3.565 . 0 0 "[ . 1 . 2]" 1
952 1 83 ASP HA 1 85 SER H . . 4.290 3.546 2.920 4.123 . 0 0 "[ . 1 . 2]" 1
953 1 83 ASP HB2 1 84 ARG H . . 4.160 3.514 2.860 4.177 0.017 9 0 "[ . 1 . 2]" 1
954 1 83 ASP HB3 1 84 ARG H . . 4.410 4.122 3.722 4.509 0.099 13 0 "[ . 1 . 2]" 1
955 1 84 ARG H 1 84 ARG QD . . 5.320 4.328 3.699 4.648 . 0 0 "[ . 1 . 2]" 1
956 1 84 ARG H 1 84 ARG HG2 . . 5.000 3.685 2.282 4.571 . 0 0 "[ . 1 . 2]" 1
957 1 84 ARG H 1 84 ARG QG . . 4.360 3.299 2.255 4.001 . 0 0 "[ . 1 . 2]" 1
958 1 84 ARG H 1 85 SER H . . 4.480 2.611 2.241 2.696 . 0 0 "[ . 1 . 2]" 1
959 1 84 ARG H 1 85 SER HB2 . . 5.500 4.770 4.012 5.356 . 0 0 "[ . 1 . 2]" 1
960 1 84 ARG H 1 86 LYS H . . 5.220 4.550 3.829 5.255 0.035 13 0 "[ . 1 . 2]" 1
961 1 85 SER H 1 85 SER HA . . 2.910 2.884 2.767 2.915 0.005 3 0 "[ . 1 . 2]" 1
962 1 85 SER H 1 85 SER QB . . 3.660 2.302 2.119 2.541 . 0 0 "[ . 1 . 2]" 1
963 1 85 SER H 1 86 LYS H . . 3.260 2.888 2.300 3.267 0.007 19 0 "[ . 1 . 2]" 1
964 1 85 SER HA 1 88 ALA H . . 5.000 4.532 3.275 5.003 0.003 16 0 "[ . 1 . 2]" 1
965 1 85 SER HB2 1 86 LYS H . . 5.000 4.214 2.094 4.709 . 0 0 "[ . 1 . 2]" 1
966 1 86 LYS H 1 86 LYS QB . . 3.620 2.292 2.127 2.669 . 0 0 "[ . 1 . 2]" 1
967 1 86 LYS H 1 86 LYS QG . . 4.610 3.591 1.931 4.105 . 0 0 "[ . 1 . 2]" 1
968 1 86 LYS H 1 87 ILE H . . 3.080 2.751 2.045 3.063 . 0 0 "[ . 1 . 2]" 1
969 1 86 LYS H 1 87 ILE HB . . 4.370 4.227 3.946 4.401 0.031 15 0 "[ . 1 . 2]" 1
970 1 86 LYS HA 1 87 ILE H . . 5.000 3.056 2.847 3.538 . 0 0 "[ . 1 . 2]" 1
971 1 86 LYS HA 1 87 ILE HB . . 5.560 5.235 5.048 5.620 0.060 15 0 "[ . 1 . 2]" 1
972 1 87 ILE H 1 87 ILE HA . . 2.920 2.888 2.815 2.925 0.005 11 0 "[ . 1 . 2]" 1
973 1 87 ILE H 1 87 ILE HB . . 3.580 2.258 2.140 2.382 . 0 0 "[ . 1 . 2]" 1
974 1 87 ILE H 1 87 ILE MD . . 3.800 3.029 2.127 3.642 . 0 0 "[ . 1 . 2]" 1
975 1 87 ILE H 1 87 ILE MG . . 4.200 3.085 2.365 3.653 . 0 0 "[ . 1 . 2]" 1
976 1 87 ILE H 1 88 ALA H . . 4.040 2.361 2.135 2.600 . 0 0 "[ . 1 . 2]" 1
977 1 87 ILE H 1 88 ALA MB . . 4.200 3.864 3.689 4.072 . 0 0 "[ . 1 . 2]" 1
978 1 88 ALA H 1 88 ALA HA . . 2.870 2.761 2.678 2.863 . 0 0 "[ . 1 . 2]" 1
979 1 88 ALA H 1 88 ALA MB . . 3.140 1.991 1.935 2.137 . 0 0 "[ . 1 . 2]" 1
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