NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382266 |
1jex   |
5091 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jex
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 1000
_Distance_constraint_stats_list.Viol_count 2848
_Distance_constraint_stats_list.Viol_total 22733.768
_Distance_constraint_stats_list.Viol_max 8.221
_Distance_constraint_stats_list.Viol_rms 0.3503
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0568
_Distance_constraint_stats_list.Viol_average_violations_only 0.3991
_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 25.803 1.562 7 20 [******+**********-**]
1 5 LYS 10.516 0.719 12 9 "[* .* * 1*+-** *]"
1 6 TYR 67.379 1.562 7 20 [******+*****-*******]
1 7 TYR 68.792 2.362 14 20 [*************+*****-]
1 8 THR 28.653 1.374 9 20 [********+********-**]
1 9 LEU 1.374 0.150 16 0 "[ . 1 . 2]"
1 10 GLU 43.480 1.877 11 20 [**********+**-******]
1 11 GLU 12.818 0.456 6 0 "[ . 1 . 2]"
1 12 ILE 4.736 0.172 20 0 "[ . 1 . 2]"
1 13 GLN 10.699 0.199 6 0 "[ . 1 . 2]"
1 14 LYS 26.570 1.422 3 20 [**+*******-*********]
1 15 HIS 1.962 0.178 19 0 "[ . 1 . 2]"
1 16 LYS 28.669 1.422 3 20 [**+*******-*********]
1 17 ASP 3.540 0.142 11 0 "[ . 1 . 2]"
1 18 SER 0.696 0.107 15 0 "[ . 1 . 2]"
1 19 LYS 1.221 0.080 3 0 "[ . 1 . 2]"
1 20 SER 2.603 0.115 8 0 "[ . 1 . 2]"
1 21 THR 1.803 0.115 8 0 "[ . 1 . 2]"
1 22 TRP 137.038 2.549 7 20 [******+*******-*****]
1 23 VAL 51.861 1.861 7 20 [******+*-***********]
1 24 ILE 55.504 2.549 7 20 [******+***********-*]
1 25 LEU 0.677 0.156 19 0 "[ . 1 . 2]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 11.500 1.076 9 13 "[* **.*- +1 ****** *]"
1 28 LYS 21.558 1.589 7 14 "[******+ *** *- **2]"
1 29 VAL 1.311 0.138 13 0 "[ . 1 . 2]"
1 30 TYR 110.349 2.271 14 20 [********-****+******]
1 31 ASP 0.750 0.095 1 0 "[ . 1 . 2]"
1 32 LEU 59.588 2.715 3 20 [**+***********-*****]
1 33 THR 52.071 2.142 15 20 [**************+*****]
1 34 LYS 32.998 1.721 4 20 [***+**************-*]
1 35 PHE 113.052 2.715 3 20 [**+***********-*****]
1 36 LEU 10.548 0.540 17 2 "[ . - 1 . + 2]"
1 37 GLU 1.788 0.074 5 0 "[ . 1 . 2]"
1 38 GLU 39.004 1.946 19 20 [******-***********+*]
1 39 HIS 67.838 1.721 4 20 [***+**-*************]
1 40 PRO 43.134 1.946 19 20 [******-***********+*]
1 41 GLY 11.032 0.717 1 14 "[+* ******** **- *]"
1 42 GLY 15.101 0.974 16 20 [***************+-***]
1 43 GLU 4.298 0.209 9 0 "[ . 1 . 2]"
1 44 GLU 6.216 0.209 9 0 "[ . 1 . 2]"
1 45 VAL 7.689 0.410 5 0 "[ . 1 . 2]"
1 46 LEU 18.599 0.717 1 14 "[+* ******** **- *]"
1 47 ARG 181.005 8.221 7 20 [******+*************]
1 48 GLU 4.330 0.173 17 0 "[ . 1 . 2]"
1 49 GLN 56.172 1.840 20 20 [******-************+]
1 50 ALA 0.776 0.093 8 0 "[ . 1 . 2]"
1 51 GLY 4.754 0.269 1 0 "[ . 1 . 2]"
1 52 GLY 5.086 0.256 15 0 "[ . 1 . 2]"
1 53 ASP 1.002 0.207 14 0 "[ . 1 . 2]"
1 54 ALA 2.920 0.151 10 0 "[ . 1 . 2]"
1 55 THR 4.293 0.500 7 0 "[ . 1 . 2]"
1 56 GLU 25.443 0.765 20 20 [*******-***********+]
1 57 ASN 162.525 8.221 7 20 [******+**********-**]
1 58 PHE 53.797 2.271 14 20 [*******-*****+******]
1 59 GLU 8.219 0.358 1 0 "[ . 1 . 2]"
1 60 ASP 12.810 0.675 8 16 "[****.**+*1*- ******2]"
1 61 VAL 4.506 0.203 14 0 "[ . 1 . 2]"
1 62 GLY 2.508 0.125 19 0 "[ . 1 . 2]"
1 63 HIS 4.825 0.133 14 0 "[ . 1 . 2]"
1 64 SER 2.285 0.193 15 0 "[ . 1 . 2]"
1 65 THR 0.461 0.079 18 0 "[ . 1 . 2]"
1 66 ASP 0.468 0.083 8 0 "[ . 1 . 2]"
1 67 VAL 2.232 0.193 15 0 "[ . 1 . 2]"
1 68 ARG 3.666 0.156 14 0 "[ . 1 . 2]"
1 69 GLU 3.966 0.156 14 0 "[ . 1 . 2]"
1 70 LEU 1.473 0.105 4 0 "[ . 1 . 2]"
1 71 SER 0.468 0.084 12 0 "[ . 1 . 2]"
1 72 LYS 6.095 1.211 3 4 "[ +-.* * . 2]"
1 73 THR 1.686 0.114 4 0 "[ . 1 . 2]"
1 74 TYR 1.126 0.108 5 0 "[ . 1 . 2]"
1 75 ILE 18.012 1.211 3 4 "[ +-.* * . 2]"
1 76 ILE 76.076 3.177 13 20 [**-*********+*******]
1 77 GLY 27.946 1.122 7 20 [******+***-*********]
1 78 GLU 2.811 0.184 18 0 "[ . 1 . 2]"
1 79 LEU 219.898 3.177 13 20 [************+******-]
1 80 HIS 31.599 1.453 2 20 [*+***************-**]
1 81 PRO 1.983 0.163 18 0 "[ . 1 . 2]"
1 82 ASP 1.412 0.153 3 0 "[ . 1 . 2]"
1 83 ASP 4.709 0.260 18 0 "[ . 1 . 2]"
1 84 ARG 27.100 1.187 2 20 [*+*********-********]
1 85 SER 0.188 0.153 3 0 "[ . 1 . 2]"
1 86 LYS 25.141 1.187 2 20 [*+*********-********]
1 87 ILE 0.790 0.092 3 0 "[ . 1 . 2]"
1 88 ALA 1.788 0.285 2 0 "[ . 1 . 2]"
2 1 HEM 0.986 0.535 7 1 "[ . + 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 HA 1 4 VAL MG1 . . 3.490 2.954 2.661 3.100 . 0 0 "[ . 1 . 2]" 1
2 1 4 VAL HA 1 5 LYS H . . 2.590 2.409 2.285 2.540 . 0 0 "[ . 1 . 2]" 1
3 1 4 VAL HA 1 77 GLY HA3 . . 5.330 4.536 3.785 4.703 . 0 0 "[ . 1 . 2]" 1
4 1 4 VAL HA 1 78 GLU HG2 . . 5.850 5.855 5.697 5.945 0.095 11 0 "[ . 1 . 2]" 1
5 1 4 VAL HB 1 4 VAL MG1 . . 2.400 2.137 2.114 2.141 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL HB 1 5 LYS H . . 4.250 4.178 4.021 4.335 0.085 11 0 "[ . 1 . 2]" 1
7 1 4 VAL HB 1 6 TYR H . . 5.570 6.819 6.292 7.132 1.562 7 20 [******+**********-**] 1
8 1 4 VAL MG1 1 5 LYS H . . 3.640 2.317 2.176 2.515 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL MG1 1 5 LYS HA . . 4.200 3.589 3.533 3.626 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL MG1 1 6 TYR H . . 4.650 4.152 3.892 4.282 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL MG1 1 6 TYR HA . . 4.260 3.604 3.417 3.753 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL MG1 1 6 TYR QD . . 4.250 3.590 3.341 3.742 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL MG1 1 7 TYR QE . . 4.680 3.344 3.113 3.684 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL MG1 1 78 GLU H . . 2.990 2.061 1.912 2.217 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL MG1 1 78 GLU HA . . 5.490 4.171 4.050 4.317 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS HG2 . . 5.380 4.396 2.169 4.813 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS HA 1 6 TYR H . . 3.400 2.225 2.178 2.263 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS HA 1 6 TYR QD . . 5.820 4.643 4.019 4.974 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 7 TYR H . . 5.510 5.286 4.351 5.563 0.053 20 0 "[ . 1 . 2]" 1
20 1 5 LYS HA 1 7 TYR QD . . 5.920 4.872 4.542 5.154 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS HA 1 7 TYR QE . . 5.350 4.332 4.085 4.854 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS HA 1 78 GLU H . . 6.170 6.228 6.041 6.346 0.176 20 0 "[ . 1 . 2]" 1
23 1 5 LYS HB3 1 7 TYR H . . 5.820 4.508 3.662 6.538 0.718 20 2 "[ . 1- . +]" 1
24 1 5 LYS HB3 1 7 TYR QE . . 4.330 2.213 1.917 4.618 0.288 11 0 "[ . 1 . 2]" 1
25 1 5 LYS HG2 1 6 TYR H . . 5.380 3.617 2.551 4.485 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS HG2 1 6 TYR QD . . 5.960 6.200 5.456 6.679 0.719 12 7 "[* .* * 1 +-** 2]" 1
27 1 5 LYS HG2 1 7 TYR HA . . 5.700 5.397 3.608 5.765 0.065 3 0 "[ . 1 . 2]" 1
28 1 5 LYS HG2 1 7 TYR QD . . 5.520 3.436 2.001 4.175 . 0 0 "[ . 1 . 2]" 1
29 1 6 TYR H 1 6 TYR HB2 . . 3.970 2.105 1.962 2.345 . 0 0 "[ . 1 . 2]" 1
30 1 6 TYR H 1 6 TYR QB . . 3.500 2.086 1.948 2.310 . 0 0 "[ . 1 . 2]" 1
31 1 6 TYR H 1 6 TYR HB3 . . 3.730 3.411 3.318 3.481 . 0 0 "[ . 1 . 2]" 1
32 1 6 TYR H 1 6 TYR QD . . 4.170 3.326 2.618 3.487 . 0 0 "[ . 1 . 2]" 1
33 1 6 TYR H 1 6 TYR QE . . 5.500 5.013 4.360 5.202 . 0 0 "[ . 1 . 2]" 1
34 1 6 TYR H 1 7 TYR H . . 4.070 4.146 3.653 4.352 0.282 20 0 "[ . 1 . 2]" 1
35 1 6 TYR H 1 80 HIS H . . 5.980 6.184 5.893 7.157 1.177 18 1 "[ . 1 . + 2]" 1
36 1 6 TYR HA 1 6 TYR QD . . 2.830 2.053 1.921 2.631 . 0 0 "[ . 1 . 2]" 1
37 1 6 TYR HA 1 6 TYR QE . . 6.200 4.344 4.220 4.700 . 0 0 "[ . 1 . 2]" 1
38 1 6 TYR HA 1 7 TYR H . . 2.800 2.296 2.218 2.634 . 0 0 "[ . 1 . 2]" 1
39 1 6 TYR HA 1 7 TYR QD . . 5.340 4.115 3.940 4.188 . 0 0 "[ . 1 . 2]" 1
40 1 6 TYR HA 1 78 GLU H . . 4.340 4.248 3.724 4.347 0.007 16 0 "[ . 1 . 2]" 1
41 1 6 TYR HA 1 79 LEU QD . . 6.060 4.753 4.483 4.913 . 0 0 "[ . 1 . 2]" 1
42 1 6 TYR HB2 1 7 TYR H . . 4.550 4.587 4.479 4.628 0.078 9 0 "[ . 1 . 2]" 1
43 1 6 TYR HB2 1 7 TYR QD . . 5.750 5.862 5.704 6.013 0.263 14 0 "[ . 1 . 2]" 1
44 1 6 TYR HB3 1 80 HIS HB3 . . 4.620 4.590 4.257 5.009 0.389 9 0 "[ . 1 . 2]" 1
45 1 6 TYR HB3 1 80 HIS HD2 . . 4.730 1.995 1.862 2.117 . 0 0 "[ . 1 . 2]" 1
46 1 6 TYR QD 1 7 TYR H . . 4.760 4.061 3.850 4.588 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR QD 1 78 GLU H . . 5.010 4.382 3.984 4.589 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR QD 1 80 HIS HD2 . . 5.530 3.980 3.747 4.204 . 0 0 "[ . 1 . 2]" 1
49 1 6 TYR QD 1 81 PRO HD2 . . 5.780 4.150 3.911 4.436 . 0 0 "[ . 1 . 2]" 1
50 1 6 TYR QE 1 80 HIS H . . 5.110 6.366 5.817 6.563 1.453 2 20 [*+***************-**] 1
51 1 6 TYR QE 1 81 PRO HA . . 5.490 5.311 4.859 5.530 0.040 18 0 "[ . 1 . 2]" 1
52 1 6 TYR QE 1 81 PRO HG2 . . 5.520 4.756 4.335 5.058 . 0 0 "[ . 1 . 2]" 1
53 1 7 TYR H 1 7 TYR HB2 . . 3.420 3.163 3.097 3.237 . 0 0 "[ . 1 . 2]" 1
54 1 7 TYR H 1 7 TYR QB . . 3.680 2.884 2.779 2.928 . 0 0 "[ . 1 . 2]" 1
55 1 7 TYR H 1 7 TYR QD . . 3.420 2.445 2.223 2.644 . 0 0 "[ . 1 . 2]" 1
56 1 7 TYR H 1 7 TYR QE . . 4.820 3.621 3.563 3.687 . 0 0 "[ . 1 . 2]" 1
57 1 7 TYR H 1 8 THR H . . 4.610 4.502 4.472 4.599 . 0 0 "[ . 1 . 2]" 1
58 1 7 TYR H 1 77 GLY HA3 . . 5.970 6.111 6.048 6.200 0.230 2 0 "[ . 1 . 2]" 1
59 1 7 TYR H 1 79 LEU HG . . 5.980 6.692 6.485 7.417 1.437 14 20 [*************+*****-] 1
60 1 7 TYR H 1 80 HIS H . . 4.950 3.404 3.066 4.955 0.005 18 0 "[ . 1 . 2]" 1
61 1 7 TYR HA 1 8 THR H . . 3.620 2.205 2.201 2.206 . 0 0 "[ . 1 . 2]" 1
62 1 7 TYR HA 1 79 LEU HG . . 5.580 7.777 7.483 7.942 2.362 14 20 [*************+***-**] 1
63 1 7 TYR HB2 1 8 THR H . . 4.420 3.625 3.582 3.689 . 0 0 "[ . 1 . 2]" 1
64 1 7 TYR HB2 1 9 LEU H . . 6.000 5.952 5.892 6.057 0.057 18 0 "[ . 1 . 2]" 1
65 1 7 TYR HB2 1 11 GLU H . . 5.070 4.159 4.037 4.328 . 0 0 "[ . 1 . 2]" 1
66 1 7 TYR HB2 1 12 ILE H . . 5.200 3.811 3.607 3.997 . 0 0 "[ . 1 . 2]" 1
67 1 7 TYR HB2 1 12 ILE HB . . 5.760 5.407 4.614 5.810 0.050 3 0 "[ . 1 . 2]" 1
68 1 7 TYR QD 1 8 THR H . . 5.540 4.916 4.856 4.958 . 0 0 "[ . 1 . 2]" 1
69 1 7 TYR QD 1 8 THR HA . . 5.890 5.135 4.898 5.347 . 0 0 "[ . 1 . 2]" 1
70 1 7 TYR QD 1 11 GLU HB2 . . 5.760 4.337 4.055 4.883 . 0 0 "[ . 1 . 2]" 1
71 1 7 TYR QD 1 11 GLU HG2 . . 5.700 4.890 3.609 5.264 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR QD 1 29 VAL H . . 5.830 5.647 5.027 5.874 0.044 7 0 "[ . 1 . 2]" 1
73 1 7 TYR QD 1 29 VAL HB . . 5.450 5.050 4.499 5.307 . 0 0 "[ . 1 . 2]" 1
74 1 7 TYR QD 1 29 VAL QG . . 3.800 2.983 2.444 3.148 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR QD 1 76 ILE MD . . 4.660 2.959 2.687 3.164 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR QD 1 78 GLU H . . 4.350 4.321 4.171 4.534 0.184 18 0 "[ . 1 . 2]" 1
77 1 7 TYR QE 1 29 VAL QG . . 4.170 2.283 2.018 2.602 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR QE 1 76 ILE MD . . 4.880 2.261 1.957 2.458 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR QE 1 76 ILE MG . . 5.380 4.593 4.467 4.704 . 0 0 "[ . 1 . 2]" 1
80 1 8 THR H 1 8 THR MG . . 2.700 1.978 1.883 2.125 . 0 0 "[ . 1 . 2]" 1
81 1 8 THR H 1 9 LEU MD1 . . 5.850 5.202 4.775 5.322 . 0 0 "[ . 1 . 2]" 1
82 1 8 THR H 1 11 GLU H . . 4.950 4.108 3.966 4.201 . 0 0 "[ . 1 . 2]" 1
83 1 8 THR H 1 11 GLU HB2 . . 5.600 4.514 4.003 4.970 . 0 0 "[ . 1 . 2]" 1
84 1 8 THR H 1 11 GLU HG2 . . 5.700 3.299 2.572 5.619 . 0 0 "[ . 1 . 2]" 1
85 1 8 THR H 1 79 LEU HA . . 5.030 5.111 5.050 5.151 0.121 12 0 "[ . 1 . 2]" 1
86 1 8 THR H 1 79 LEU HG . . 5.900 7.130 6.694 7.274 1.374 9 20 [********+********-**] 1
87 1 8 THR H 1 83 ASP HB2 . . 5.600 5.656 5.511 5.860 0.260 18 0 "[ . 1 . 2]" 1
88 1 8 THR HA 1 11 GLU HB2 . . 6.250 5.691 5.069 6.706 0.456 6 0 "[ . 1 . 2]" 1
89 1 8 THR HA 1 79 LEU QD . . 5.860 2.249 1.930 2.489 . 0 0 "[ . 1 . 2]" 1
90 1 8 THR MG 1 10 GLU H . . 5.320 4.315 4.197 4.456 . 0 0 "[ . 1 . 2]" 1
91 1 8 THR MG 1 11 GLU H . . 5.810 5.057 4.844 5.152 . 0 0 "[ . 1 . 2]" 1
92 1 8 THR MG 1 79 LEU HA . . 5.400 5.109 5.008 5.189 . 0 0 "[ . 1 . 2]" 1
93 1 8 THR MG 1 80 HIS H . . 5.750 3.366 3.181 5.419 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR MG 1 80 HIS HB3 . . 5.540 2.526 2.169 3.320 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU H 1 9 LEU HB2 . . 3.920 2.591 2.336 3.460 . 0 0 "[ . 1 . 2]" 1
96 1 9 LEU H 1 9 LEU QB . . 3.760 2.449 2.305 2.876 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU H 1 9 LEU HB3 . . 3.990 3.441 2.931 3.551 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU H 1 9 LEU MD1 . . 2.800 1.827 1.744 2.016 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU H 1 10 GLU H . . 3.270 2.939 2.848 3.026 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU H 1 12 ILE HB . . 5.140 4.636 4.164 5.035 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU H 1 79 LEU QD . . 6.240 2.565 2.252 3.094 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU H 1 79 LEU HG . . 4.830 4.466 4.205 4.583 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 83 ASP HB2 . . 5.280 3.686 3.174 4.508 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 83 ASP HB3 . . 5.500 3.140 2.555 3.938 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU HA 1 9 LEU HB2 . . 3.020 2.957 2.698 3.008 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU HA 1 9 LEU HB3 . . 2.740 2.508 2.195 2.600 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HA 1 9 LEU MD1 . . 4.400 2.400 2.000 3.512 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HA 1 12 ILE H . . 3.380 2.878 2.719 2.975 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU HA 1 12 ILE HA . . 5.560 4.788 4.493 4.987 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU HA 1 12 ILE HB . . 4.900 2.144 1.930 2.476 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU HA 1 13 GLN H . . 3.170 3.172 2.981 3.297 0.127 4 0 "[ . 1 . 2]" 1
112 1 9 LEU HA 1 79 LEU HG . . 5.540 4.741 4.277 4.990 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HB2 1 9 LEU MD1 . . 3.280 2.579 2.384 2.691 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU HB2 1 10 GLU H . . 4.450 3.045 2.782 3.689 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU HB2 1 13 GLN HG2 . . 5.300 3.797 3.452 4.257 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU HB3 1 10 GLU H . . 4.450 3.831 3.556 4.415 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU HB3 1 10 GLU HB2 . . 6.440 5.746 5.441 6.440 0.000 16 0 "[ . 1 . 2]" 1
118 1 9 LEU MD1 1 10 GLU H . . 4.540 3.629 1.846 4.100 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU MD1 1 11 GLU H . . 6.040 4.640 4.181 4.871 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU MD1 1 12 ILE HB . . 5.900 3.760 2.962 5.232 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU MD1 1 13 GLN H . . 5.630 4.953 4.688 5.243 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU MD1 1 13 GLN HG2 . . 5.610 4.741 4.419 5.108 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU MD1 1 83 ASP HA . . 5.660 4.442 3.850 4.888 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU MD1 1 83 ASP HB2 . . 4.670 3.367 2.995 4.242 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU MD1 1 83 ASP HB3 . . 3.870 2.337 1.991 3.313 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU HG 1 13 GLN H . . 5.900 5.093 4.576 6.050 0.150 16 0 "[ . 1 . 2]" 1
127 1 10 GLU H 1 10 GLU HA . . 2.770 2.664 2.611 2.716 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLU H 1 10 GLU HB2 . . 3.640 2.104 2.023 2.509 . 0 0 "[ . 1 . 2]" 1
129 1 10 GLU H 1 10 GLU QB . . 3.300 2.056 2.003 2.231 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU H 1 10 GLU HB3 . . 3.640 3.067 2.500 3.253 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLU H 1 10 GLU HG2 . . 4.410 4.430 4.243 4.538 0.128 4 0 "[ . 1 . 2]" 1
132 1 10 GLU H 1 11 GLU H . . 3.170 2.878 2.775 2.994 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLU H 1 11 GLU HG2 . . 5.880 4.598 4.086 6.330 0.450 19 0 "[ . 1 . 2]" 1
134 1 10 GLU H 1 13 GLN HG2 . . 5.760 4.254 3.569 4.745 . 0 0 "[ . 1 . 2]" 1
135 1 10 GLU H 1 79 LEU HA . . 6.020 7.675 7.445 7.897 1.877 11 20 [**********+**-******] 1
136 1 10 GLU H 1 79 LEU QD . . 5.930 4.978 4.683 5.173 . 0 0 "[ . 1 . 2]" 1
137 1 10 GLU HA 1 10 GLU HB2 . . 2.770 2.727 2.411 2.849 0.079 18 0 "[ . 1 . 2]" 1
138 1 10 GLU HA 1 11 GLU HA . . 4.520 4.574 4.552 4.589 0.069 4 0 "[ . 1 . 2]" 1
139 1 10 GLU HA 1 11 GLU HB2 . . 5.730 6.042 5.939 6.100 0.370 13 0 "[ . 1 . 2]" 1
140 1 10 GLU HA 1 12 ILE H . . 5.480 5.185 5.077 5.274 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLU HA 1 13 GLN H . . 4.990 4.095 3.902 4.271 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLU HA 1 13 GLN HB2 . . 5.700 3.933 2.721 5.238 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HA 1 13 GLN HG2 . . 4.580 3.286 2.387 4.051 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLU HG2 1 11 GLU H . . 5.220 4.895 3.868 5.302 0.082 10 0 "[ . 1 . 2]" 1
145 1 10 GLU HG3 1 13 GLN HG2 . . 5.750 5.406 4.349 5.848 0.098 4 0 "[ . 1 . 2]" 1
146 1 11 GLU H 1 11 GLU HA . . 2.830 2.898 2.891 2.906 0.076 11 0 "[ . 1 . 2]" 1
147 1 11 GLU H 1 11 GLU HB2 . . 3.490 2.744 2.543 3.346 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLU H 1 11 GLU HG2 . . 4.920 2.531 2.215 3.676 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLU H 1 11 GLU QG . . 4.740 2.486 2.199 3.481 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLU H 1 11 GLU HG3 . . 4.320 3.877 3.719 4.306 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLU H 1 12 ILE H . . 3.050 2.325 2.173 2.367 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLU H 1 12 ILE HA . . 4.870 4.893 4.780 4.938 0.068 4 0 "[ . 1 . 2]" 1
153 1 11 GLU H 1 12 ILE HB . . 4.960 4.213 3.861 4.390 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLU H 1 13 GLN H . . 3.950 3.472 3.257 3.583 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLU HA 1 11 GLU HG2 . . 4.110 3.438 3.294 3.759 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLU HA 1 11 GLU QG . . 3.690 3.111 2.862 3.191 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLU HA 1 11 GLU HG3 . . 4.110 3.638 2.979 3.796 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLU HB2 1 12 ILE H . . 4.330 2.620 2.288 4.047 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLU HB2 1 13 GLN H . . 5.480 4.898 4.635 5.679 0.199 6 0 "[ . 1 . 2]" 1
160 1 11 GLU HB3 1 13 GLN H . . 5.480 5.403 4.834 5.554 0.074 16 0 "[ . 1 . 2]" 1
161 1 11 GLU HG2 1 12 ILE H . . 4.410 3.643 2.299 4.044 . 0 0 "[ . 1 . 2]" 1
162 1 11 GLU HG2 1 13 GLN H . . 5.840 5.552 4.669 5.787 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLU HG3 1 12 ILE H . . 4.820 4.537 3.335 4.823 0.003 17 0 "[ . 1 . 2]" 1
164 1 12 ILE H 1 12 ILE HB . . 2.800 2.356 1.975 2.536 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE H 1 13 GLN H . . 3.140 2.761 2.640 2.860 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE H 1 13 GLN HA . . 5.240 5.254 5.125 5.334 0.094 13 0 "[ . 1 . 2]" 1
167 1 12 ILE H 1 15 HIS QB . . 5.990 5.090 4.609 5.576 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE H 1 22 TRP HE3 . . 5.990 4.626 4.162 4.914 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE HA 1 13 GLN H . . 3.420 3.578 3.535 3.592 0.172 20 0 "[ . 1 . 2]" 1
170 1 12 ILE HA 1 13 GLN HB2 . . 6.590 6.089 5.556 6.632 0.042 13 0 "[ . 1 . 2]" 1
171 1 12 ILE HA 1 13 GLN HG2 . . 6.100 5.841 5.594 6.176 0.076 13 0 "[ . 1 . 2]" 1
172 1 12 ILE HA 1 14 LYS H . . 4.760 4.156 3.712 4.353 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE HA 1 15 HIS H . . 4.300 3.400 3.074 3.705 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HA 1 15 HIS HD2 . . 5.000 2.950 1.949 4.499 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE HA 1 22 TRP HE3 . . 5.030 2.793 2.298 3.205 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE HA 1 22 TRP HZ3 . . 4.760 2.862 2.124 3.154 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE HA 1 29 VAL QG . . 5.570 4.140 3.694 4.483 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE HB 1 13 GLN H . . 3.990 2.923 2.778 3.378 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE MG 1 13 GLN H . . 4.660 3.459 2.532 3.907 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE MG 1 13 GLN HA . . 4.900 3.489 3.020 3.950 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE MG 1 29 VAL QG . . 5.400 2.539 1.919 3.569 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE MG 1 51 GLY H . . 4.870 3.971 3.534 4.329 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLN H 1 13 GLN HA . . 2.830 2.785 2.729 2.855 0.025 11 0 "[ . 1 . 2]" 1
184 1 13 GLN H 1 13 GLN HB2 . . 3.770 2.870 2.192 3.584 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLN H 1 13 GLN HB3 . . 3.770 3.084 2.293 3.546 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLN H 1 13 GLN HG2 . . 3.590 2.488 2.292 2.700 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLN H 1 14 LYS H . . 4.170 2.600 2.347 2.784 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLN H 1 15 HIS H . . 4.830 3.825 3.711 4.014 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLN H 1 15 HIS HD2 . . 5.380 4.819 4.371 5.322 . 0 0 "[ . 1 . 2]" 1
190 1 13 GLN HA 1 13 GLN HB2 . . 2.880 2.768 2.355 3.049 0.169 20 0 "[ . 1 . 2]" 1
191 1 13 GLN HA 1 13 GLN HG2 . . 3.960 3.381 2.643 4.065 0.105 13 0 "[ . 1 . 2]" 1
192 1 13 GLN HA 1 14 LYS H . . 3.480 3.562 3.500 3.616 0.136 2 0 "[ . 1 . 2]" 1
193 1 13 GLN HA 1 15 HIS H . . 4.740 3.564 3.354 3.968 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLN HA 1 51 GLY H . . 5.840 5.534 4.710 5.914 0.074 3 0 "[ . 1 . 2]" 1
195 1 13 GLN HA 1 51 GLY HA2 . . 4.480 2.854 1.977 3.292 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLN HG2 1 14 LYS H . . 5.630 3.995 2.299 4.800 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS H 1 14 LYS HA . . 2.830 2.850 2.840 2.855 0.025 16 0 "[ . 1 . 2]" 1
198 1 14 LYS H 1 14 LYS HB2 . . 3.370 2.150 2.048 2.681 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS H 1 15 HIS H . . 2.900 2.513 2.456 2.568 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS H 1 15 HIS QB . . 4.970 4.514 4.352 4.650 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS H 1 15 HIS HD2 . . 4.640 3.778 3.045 4.511 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS H 1 16 LYS HB2 . . 5.990 5.580 5.227 5.735 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS H 1 16 LYS QG . . 5.990 7.216 6.754 7.412 1.422 3 20 [**+*******-*********] 1
204 1 14 LYS HB2 1 15 HIS H . . 4.450 3.902 3.503 4.409 . 0 0 "[ . 1 . 2]" 1
205 1 15 HIS H 1 15 HIS QB . . 3.620 2.494 2.371 2.623 . 0 0 "[ . 1 . 2]" 1
206 1 15 HIS H 1 15 HIS HD2 . . 3.550 3.133 2.488 3.628 0.078 15 0 "[ . 1 . 2]" 1
207 1 15 HIS H 1 16 LYS H . . 4.480 3.167 2.979 3.497 . 0 0 "[ . 1 . 2]" 1
208 1 15 HIS H 1 16 LYS HB2 . . 5.260 4.197 4.091 4.434 . 0 0 "[ . 1 . 2]" 1
209 1 15 HIS H 1 16 LYS QG . . 6.680 5.841 5.760 5.954 . 0 0 "[ . 1 . 2]" 1
210 1 15 HIS H 1 17 ASP H . . 5.920 5.533 5.287 5.752 . 0 0 "[ . 1 . 2]" 1
211 1 15 HIS HA 1 15 HIS HD2 . . 5.190 4.090 3.338 4.689 . 0 0 "[ . 1 . 2]" 1
212 1 15 HIS QB 1 17 ASP H . . 5.270 4.183 3.948 4.335 . 0 0 "[ . 1 . 2]" 1
213 1 15 HIS QB 1 20 SER HB2 . . 5.990 3.817 3.521 4.294 . 0 0 "[ . 1 . 2]" 1
214 1 15 HIS QB 1 22 TRP HZ3 . . 5.560 4.063 3.835 4.895 . 0 0 "[ . 1 . 2]" 1
215 1 15 HIS HD2 1 22 TRP HZ2 . . 5.000 4.763 4.411 5.178 0.178 19 0 "[ . 1 . 2]" 1
216 1 15 HIS HE1 1 22 TRP HZ3 . . 5.500 5.525 5.093 5.646 0.146 19 0 "[ . 1 . 2]" 1
217 1 16 LYS H 1 17 ASP H . . 3.990 3.294 3.008 3.515 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS H 1 20 SER HB3 . . 5.700 5.046 4.462 5.723 0.023 15 0 "[ . 1 . 2]" 1
219 1 16 LYS H 1 21 THR HA . . 5.000 5.044 4.972 5.096 0.096 15 0 "[ . 1 . 2]" 1
220 1 16 LYS HA 1 17 ASP H . . 5.000 2.617 2.501 2.772 . 0 0 "[ . 1 . 2]" 1
221 1 16 LYS HA 1 17 ASP HA . . 5.000 4.282 4.254 4.397 . 0 0 "[ . 1 . 2]" 1
222 1 16 LYS HA 1 17 ASP HB2 . . 5.170 4.819 4.666 5.035 . 0 0 "[ . 1 . 2]" 1
223 1 16 LYS HA 1 50 ALA MB . . 5.000 2.312 1.953 2.995 . 0 0 "[ . 1 . 2]" 1
224 1 16 LYS HB2 1 17 ASP H . . 4.570 4.705 4.688 4.712 0.142 11 0 "[ . 1 . 2]" 1
225 1 16 LYS HB2 1 51 GLY H . . 5.540 5.534 5.191 5.602 0.062 6 0 "[ . 1 . 2]" 1
226 1 16 LYS QG 1 17 ASP H . . 5.600 4.071 3.905 4.223 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS QG 1 48 GLU HA . . 5.560 5.073 4.790 5.246 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS QG 1 51 GLY H . . 5.540 4.960 4.644 5.348 . 0 0 "[ . 1 . 2]" 1
229 1 16 LYS QG 1 51 GLY HA2 . . 5.530 4.731 4.320 5.134 . 0 0 "[ . 1 . 2]" 1
230 1 17 ASP H 1 17 ASP HB2 . . 3.500 2.816 2.358 3.090 . 0 0 "[ . 1 . 2]" 1
231 1 17 ASP H 1 17 ASP HB3 . . 3.800 3.414 3.023 3.704 . 0 0 "[ . 1 . 2]" 1
232 1 17 ASP H 1 18 SER H . . 5.000 4.358 4.305 4.478 . 0 0 "[ . 1 . 2]" 1
233 1 17 ASP H 1 18 SER HA . . 4.870 4.890 4.814 4.977 0.107 15 0 "[ . 1 . 2]" 1
234 1 17 ASP H 1 18 SER QB . . 5.990 5.890 5.676 6.012 0.022 16 0 "[ . 1 . 2]" 1
235 1 17 ASP H 1 20 SER H . . 4.320 3.363 3.164 3.682 . 0 0 "[ . 1 . 2]" 1
236 1 17 ASP H 1 21 THR H . . 5.340 4.646 4.452 4.880 . 0 0 "[ . 1 . 2]" 1
237 1 17 ASP HA 1 20 SER H . . 5.000 4.699 4.339 5.079 0.079 15 0 "[ . 1 . 2]" 1
238 1 17 ASP HA 1 47 ARG QD . . 5.400 3.976 3.283 5.170 . 0 0 "[ . 1 . 2]" 1
239 1 18 SER H 1 19 LYS H . . 3.730 2.993 2.660 3.689 . 0 0 "[ . 1 . 2]" 1
240 1 18 SER HA 1 21 THR H . . 5.620 5.164 4.816 5.520 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS HA 1 20 SER H . . 3.560 3.621 3.586 3.640 0.080 3 0 "[ . 1 . 2]" 1
242 1 19 LYS HE2 1 20 SER HA . . 5.000 4.691 3.628 5.006 0.006 5 0 "[ . 1 . 2]" 1
243 1 20 SER H 1 20 SER HB2 . . 4.010 2.723 2.542 2.895 . 0 0 "[ . 1 . 2]" 1
244 1 20 SER H 1 21 THR H . . 3.990 3.985 3.273 4.105 0.115 8 0 "[ . 1 . 2]" 1
245 1 20 SER H 1 33 THR MG . . 5.990 4.428 4.090 4.718 . 0 0 "[ . 1 . 2]" 1
246 1 20 SER HA 1 21 THR H . . 5.000 2.241 2.215 2.498 . 0 0 "[ . 1 . 2]" 1
247 1 20 SER HA 1 21 THR HA . . 5.000 4.411 4.396 4.490 . 0 0 "[ . 1 . 2]" 1
248 1 20 SER HA 1 21 THR HB . . 5.000 4.428 4.244 4.722 . 0 0 "[ . 1 . 2]" 1
249 1 20 SER HA 1 33 THR H . . 5.000 4.954 4.665 5.071 0.071 19 0 "[ . 1 . 2]" 1
250 1 20 SER HA 1 33 THR HA . . 4.900 4.775 4.468 4.973 0.073 8 0 "[ . 1 . 2]" 1
251 1 20 SER HB2 1 33 THR MG . . 5.500 4.414 4.092 4.833 . 0 0 "[ . 1 . 2]" 1
252 1 21 THR H 1 32 LEU H . . 5.640 5.109 4.467 5.515 . 0 0 "[ . 1 . 2]" 1
253 1 21 THR H 1 36 LEU MD1 . . 4.930 3.668 3.174 3.867 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR HA 1 22 TRP H . . 5.000 2.154 2.149 2.171 . 0 0 "[ . 1 . 2]" 1
255 1 21 THR HA 1 50 ALA HA . . 5.500 4.963 4.580 5.273 . 0 0 "[ . 1 . 2]" 1
256 1 21 THR HA 1 50 ALA MB . . 5.000 2.813 2.468 3.082 . 0 0 "[ . 1 . 2]" 1
257 1 21 THR HB 1 22 TRP H . . 4.700 4.539 4.448 4.646 . 0 0 "[ . 1 . 2]" 1
258 1 21 THR HB 1 22 TRP HA . . 5.500 5.203 5.029 5.538 0.038 14 0 "[ . 1 . 2]" 1
259 1 21 THR HB 1 33 THR HA . . 5.000 3.325 2.902 3.826 . 0 0 "[ . 1 . 2]" 1
260 1 21 THR HB 1 33 THR MG . . 5.580 4.581 3.635 4.884 . 0 0 "[ . 1 . 2]" 1
261 1 21 THR HB 1 36 LEU MD1 . . 5.000 2.276 1.865 2.599 . 0 0 "[ . 1 . 2]" 1
262 1 21 THR MG 1 22 TRP HA . . 3.830 3.579 3.392 3.756 . 0 0 "[ . 1 . 2]" 1
263 1 21 THR MG 1 22 TRP QB . . 5.480 4.633 4.510 4.726 . 0 0 "[ . 1 . 2]" 1
264 1 21 THR MG 1 23 VAL HA . . 5.520 5.120 4.896 5.208 . 0 0 "[ . 1 . 2]" 1
265 1 21 THR MG 1 23 VAL QG . . 5.500 2.992 2.732 3.083 . 0 0 "[ . 1 . 2]" 1
266 1 21 THR MG 1 32 LEU HG . . 5.400 3.931 2.960 4.751 . 0 0 "[ . 1 . 2]" 1
267 1 21 THR MG 1 50 ALA HA . . 3.930 3.564 3.311 3.832 . 0 0 "[ . 1 . 2]" 1
268 1 21 THR MG 1 50 ALA MB . . 3.400 1.742 1.666 2.004 . 0 0 "[ . 1 . 2]" 1
269 1 22 TRP H 1 24 ILE H . . 6.190 6.271 6.212 6.354 0.164 19 0 "[ . 1 . 2]" 1
270 1 22 TRP H 1 29 VAL QG . . 5.580 4.317 4.089 4.533 . 0 0 "[ . 1 . 2]" 1
271 1 22 TRP H 1 33 THR HA . . 5.960 6.665 6.499 6.831 0.871 7 20 [******+*******-*****] 1
272 1 22 TRP H 1 49 GLN H . . 5.950 7.478 7.143 7.790 1.840 20 20 [*****-*************+] 1
273 1 22 TRP H 1 76 ILE MD . . 5.960 5.818 5.528 6.327 0.367 13 0 "[ . 1 . 2]" 1
274 1 22 TRP HA 1 23 VAL H . . 3.740 2.705 2.616 2.753 . 0 0 "[ . 1 . 2]" 1
275 1 22 TRP HA 1 23 VAL HA . . 5.200 4.609 4.576 4.629 . 0 0 "[ . 1 . 2]" 1
276 1 22 TRP HA 1 23 VAL QG . . 4.890 3.079 3.022 3.105 . 0 0 "[ . 1 . 2]" 1
277 1 22 TRP HA 1 31 ASP HA . . 3.840 2.685 2.408 3.009 . 0 0 "[ . 1 . 2]" 1
278 1 22 TRP HA 1 32 LEU HG . . 5.810 3.340 3.051 5.565 . 0 0 "[ . 1 . 2]" 1
279 1 22 TRP HA 1 33 THR H . . 4.390 4.430 4.211 4.583 0.193 15 0 "[ . 1 . 2]" 1
280 1 22 TRP QB 1 22 TRP HZ3 . . 5.650 4.612 4.600 4.647 . 0 0 "[ . 1 . 2]" 1
281 1 22 TRP QB 1 23 VAL H . . 4.520 2.222 2.129 2.315 . 0 0 "[ . 1 . 2]" 1
282 1 22 TRP QB 1 29 VAL QG . . 4.220 1.756 1.623 1.931 . 0 0 "[ . 1 . 2]" 1
283 1 22 TRP QB 1 32 LEU HG . . 5.580 5.020 4.559 7.031 1.451 7 1 "[ . + 1 . 2]" 1
284 1 22 TRP HD1 1 23 VAL H . . 5.570 4.967 4.791 5.078 . 0 0 "[ . 1 . 2]" 1
285 1 22 TRP HE1 1 76 ILE MD . . 5.560 4.732 4.137 4.924 . 0 0 "[ . 1 . 2]" 1
286 1 22 TRP HE3 1 23 VAL H . . 5.500 4.990 4.811 5.102 . 0 0 "[ . 1 . 2]" 1
287 1 22 TRP HE3 1 24 ILE H . . 5.880 6.053 5.980 6.118 0.238 3 0 "[ . 1 . 2]" 1
288 1 22 TRP HE3 1 29 VAL QG . . 2.490 2.207 2.018 2.370 . 0 0 "[ . 1 . 2]" 1
289 1 22 TRP HE3 1 76 ILE MD . . 3.570 2.511 2.226 3.236 . 0 0 "[ . 1 . 2]" 1
290 1 22 TRP HH2 1 76 ILE MD . . 5.960 3.447 2.984 3.992 . 0 0 "[ . 1 . 2]" 1
291 1 22 TRP HZ3 1 23 VAL QG . . 5.990 7.719 7.537 7.851 1.861 7 20 [******+***********-*] 1
292 1 22 TRP HZ3 1 24 ILE H . . 5.850 8.248 8.075 8.399 2.549 7 20 [******+***********-*] 1
293 1 22 TRP HZ3 1 76 ILE MD . . 4.810 2.779 2.483 3.458 . 0 0 "[ . 1 . 2]" 1
294 1 23 VAL H 1 23 VAL QG . . 4.000 2.165 2.079 2.287 . 0 0 "[ . 1 . 2]" 1
295 1 23 VAL H 1 29 VAL QG . . 5.300 2.079 1.911 2.311 . 0 0 "[ . 1 . 2]" 1
296 1 23 VAL H 1 30 TYR H . . 5.300 2.270 2.089 2.445 . 0 0 "[ . 1 . 2]" 1
297 1 23 VAL H 1 30 TYR HB2 . . 5.580 3.691 3.502 3.873 . 0 0 "[ . 1 . 2]" 1
298 1 23 VAL H 1 31 ASP H . . 5.990 5.429 5.292 5.555 . 0 0 "[ . 1 . 2]" 1
299 1 23 VAL H 1 31 ASP HA . . 4.900 4.456 4.269 4.681 . 0 0 "[ . 1 . 2]" 1
300 1 23 VAL H 1 32 LEU H . . 5.730 4.611 4.401 4.925 . 0 0 "[ . 1 . 2]" 1
301 1 23 VAL H 1 32 LEU QD . . 5.410 3.150 2.655 4.003 . 0 0 "[ . 1 . 2]" 1
302 1 23 VAL HA 1 24 ILE H . . 3.830 2.193 2.181 2.227 . 0 0 "[ . 1 . 2]" 1
303 1 23 VAL HA 1 30 TYR H . . 5.580 4.662 4.579 4.754 . 0 0 "[ . 1 . 2]" 1
304 1 23 VAL HA 1 30 TYR QD . . 5.720 6.312 5.939 6.478 0.758 19 17 "[** ** **-1********+*]" 1
305 1 23 VAL HA 1 50 ALA HA . . 3.920 3.129 2.847 3.448 . 0 0 "[ . 1 . 2]" 1
306 1 23 VAL HA 1 51 GLY H . . 3.850 4.045 3.965 4.119 0.269 1 0 "[ . 1 . 2]" 1
307 1 23 VAL HA 1 52 GLY H . . 5.130 5.208 5.151 5.257 0.127 15 0 "[ . 1 . 2]" 1
308 1 23 VAL QG 1 24 ILE H . . 5.020 3.682 3.637 3.768 . 0 0 "[ . 1 . 2]" 1
309 1 23 VAL QG 1 24 ILE HA . . 5.240 4.434 4.226 4.507 . 0 0 "[ . 1 . 2]" 1
310 1 23 VAL QG 1 25 LEU MD2 . . 4.680 2.136 1.752 2.675 . 0 0 "[ . 1 . 2]" 1
311 1 23 VAL QG 1 30 TYR H . . 5.800 2.798 2.460 3.050 . 0 0 "[ . 1 . 2]" 1
312 1 23 VAL QG 1 30 TYR QD . . 5.990 3.854 3.395 4.105 . 0 0 "[ . 1 . 2]" 1
313 1 23 VAL QG 1 49 GLN QB . . 5.460 2.625 1.938 3.284 . 0 0 "[ . 1 . 2]" 1
314 1 23 VAL QG 1 50 ALA HA . . 4.400 2.148 1.919 2.494 . 0 0 "[ . 1 . 2]" 1
315 1 23 VAL QG 1 51 GLY H . . 5.230 3.703 3.486 4.093 . 0 0 "[ . 1 . 2]" 1
316 1 23 VAL QG 1 52 GLY H . . 5.840 4.773 4.566 5.202 . 0 0 "[ . 1 . 2]" 1
317 1 23 VAL QG 1 54 ALA H . . 5.590 3.839 3.465 4.185 . 0 0 "[ . 1 . 2]" 1
318 1 23 VAL QG 1 54 ALA HA . . 5.790 4.238 3.904 4.776 . 0 0 "[ . 1 . 2]" 1
319 1 24 ILE H 1 24 ILE MG . . 3.450 2.097 1.835 2.548 . 0 0 "[ . 1 . 2]" 1
320 1 24 ILE H 1 52 GLY HA2 . . 5.570 5.635 5.423 5.826 0.256 15 0 "[ . 1 . 2]" 1
321 1 24 ILE H 1 54 ALA H . . 5.590 4.066 3.909 4.243 . 0 0 "[ . 1 . 2]" 1
322 1 24 ILE HA 1 24 ILE HB . . 3.100 2.415 2.310 2.617 . 0 0 "[ . 1 . 2]" 1
323 1 24 ILE HA 1 25 LEU H . . 3.740 2.206 2.176 2.296 . 0 0 "[ . 1 . 2]" 1
324 1 24 ILE HA 1 25 LEU HG . . 4.980 4.125 3.852 4.718 . 0 0 "[ . 1 . 2]" 1
325 1 24 ILE HA 1 28 LYS H . . 5.000 4.160 3.385 4.579 . 0 0 "[ . 1 . 2]" 1
326 1 24 ILE HA 1 29 VAL H . . 5.000 3.657 3.413 3.980 . 0 0 "[ . 1 . 2]" 1
327 1 24 ILE HA 1 29 VAL HA . . 3.000 1.875 1.803 1.942 . 0 0 "[ . 1 . 2]" 1
328 1 24 ILE HA 1 29 VAL QG . . 5.000 3.020 2.829 3.256 . 0 0 "[ . 1 . 2]" 1
329 1 24 ILE HA 1 30 TYR H . . 4.000 3.806 3.549 4.002 0.002 9 0 "[ . 1 . 2]" 1
330 1 24 ILE HA 1 30 TYR QD . . 4.690 4.117 3.743 4.240 . 0 0 "[ . 1 . 2]" 1
331 1 24 ILE HA 1 30 TYR QE . . 5.440 5.374 4.732 5.546 0.106 20 0 "[ . 1 . 2]" 1
332 1 24 ILE HB 1 25 LEU H . . 4.450 4.219 3.291 4.599 0.149 18 0 "[ . 1 . 2]" 1
333 1 24 ILE MG 1 30 TYR H . . 6.470 5.418 4.487 6.016 . 0 0 "[ . 1 . 2]" 1
334 1 24 ILE MG 1 52 GLY HA2 . . 5.280 4.001 3.528 4.976 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU H 1 25 LEU MD2 . . 4.610 3.536 3.230 3.933 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU H 1 25 LEU HG . . 4.830 2.264 1.939 2.795 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU H 1 30 TYR QD . . 5.040 3.259 2.754 3.640 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU H 1 30 TYR QE . . 3.980 3.822 3.040 4.136 0.156 19 0 "[ . 1 . 2]" 1
339 1 25 LEU H 1 55 THR MG . . 5.930 5.038 4.842 5.395 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU HA 1 25 LEU MD1 . . 4.790 3.603 3.292 3.833 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HA 1 25 LEU MD2 . . 4.350 3.935 2.134 4.108 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU HA 1 55 THR HA . . 4.730 4.163 3.811 4.710 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU HA 1 55 THR MG . . 3.850 2.635 2.364 3.054 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU MD1 1 58 PHE HZ . . 4.780 4.131 3.343 4.528 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU MD2 1 30 TYR H . . 5.200 3.600 3.272 4.125 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU MD2 1 30 TYR QD . . 4.560 2.914 2.238 3.797 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU MD2 1 30 TYR QE . . 5.590 3.748 3.160 4.492 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU MD2 1 55 THR H . . 4.510 4.267 3.052 4.409 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU MD2 1 55 THR HA . . 5.520 3.783 2.727 4.095 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU MD2 1 55 THR MG . . 5.950 4.869 3.710 5.019 . 0 0 "[ . 1 . 2]" 1
351 1 25 LEU MD2 1 58 PHE QD . . 3.450 2.927 2.324 3.200 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU MD2 1 58 PHE HE2 . . 4.380 3.204 2.610 4.177 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU MD2 1 58 PHE HZ . . 5.760 4.277 3.845 5.121 . 0 0 "[ . 1 . 2]" 1
354 1 25 LEU MD2 2 1 HEM HAB . . 4.240 3.110 2.792 4.192 . 0 0 "[ . 1 . 2]" 1
355 1 25 LEU MD2 2 1 HEM HBB1 . . 5.520 4.093 3.546 5.201 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU MD2 2 1 HEM HBB2 . . 4.870 3.040 2.529 4.261 . 0 0 "[ . 1 . 2]" 1
357 1 25 LEU HG 1 26 HIS H . . 5.470 4.812 4.197 5.192 . 0 0 "[ . 1 . 2]" 1
358 1 25 LEU HG 1 30 TYR H . . 5.040 4.075 3.322 4.528 . 0 0 "[ . 1 . 2]" 1
359 1 25 LEU HG 1 30 TYR QD . . 4.540 2.507 2.054 2.886 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU HG 1 30 TYR QE . . 4.980 2.854 2.053 3.369 . 0 0 "[ . 1 . 2]" 1
361 1 27 HIS H 1 28 LYS H . . 5.000 2.607 2.512 2.737 . 0 0 "[ . 1 . 2]" 1
362 1 27 HIS H 1 79 LEU QB . . 6.560 7.083 5.831 7.636 1.076 9 13 "[* **.*- +1 ****** *]" 1
363 1 27 HIS HB2 1 28 LYS HD2 . . 5.130 4.711 2.910 5.254 0.124 8 0 "[ . 1 . 2]" 1
364 1 27 HIS HB2 1 84 ARG HG2 . . 5.800 4.249 2.975 5.281 . 0 0 "[ . 1 . 2]" 1
365 1 28 LYS H 1 28 LYS HD2 . . 5.500 4.170 2.870 5.371 . 0 0 "[ . 1 . 2]" 1
366 1 28 LYS H 1 28 LYS HE2 . . 5.200 5.091 4.462 5.376 0.176 5 0 "[ . 1 . 2]" 1
367 1 28 LYS H 1 28 LYS QG . . 4.500 2.872 1.820 4.000 . 0 0 "[ . 1 . 2]" 1
368 1 28 LYS H 1 30 TYR QE . . 5.000 3.839 3.225 4.745 . 0 0 "[ . 1 . 2]" 1
369 1 28 LYS H 1 78 GLU HA . . 5.200 4.926 3.917 5.314 0.114 6 0 "[ . 1 . 2]" 1
370 1 28 LYS HA 1 29 VAL HB . . 5.440 4.623 4.443 4.851 . 0 0 "[ . 1 . 2]" 1
371 1 28 LYS HA 1 78 GLU HA . . 5.000 2.335 1.964 2.690 . 0 0 "[ . 1 . 2]" 1
372 1 28 LYS HA 1 78 GLU HG2 . . 5.000 4.772 4.303 5.128 0.128 7 0 "[ . 1 . 2]" 1
373 1 28 LYS HA 1 79 LEU H . . 4.920 3.848 3.242 4.270 . 0 0 "[ . 1 . 2]" 1
374 1 28 LYS QG 1 29 VAL H . . 5.450 4.346 3.840 4.937 . 0 0 "[ . 1 . 2]" 1
375 1 28 LYS QG 1 30 TYR H . . 5.850 6.838 5.443 7.439 1.589 7 14 "[******+ *** *- **2]" 1
376 1 28 LYS QG 1 30 TYR QE . . 4.630 3.315 1.749 4.220 . 0 0 "[ . 1 . 2]" 1
377 1 29 VAL H 1 29 VAL HB . . 2.960 2.737 2.573 2.807 . 0 0 "[ . 1 . 2]" 1
378 1 29 VAL H 1 29 VAL QG . . 3.660 1.903 1.803 2.047 . 0 0 "[ . 1 . 2]" 1
379 1 29 VAL H 1 77 GLY H . . 4.200 4.039 3.821 4.212 0.012 7 0 "[ . 1 . 2]" 1
380 1 29 VAL H 1 79 LEU HA . . 5.690 5.467 4.965 5.642 . 0 0 "[ . 1 . 2]" 1
381 1 29 VAL H 1 79 LEU QD . . 4.400 4.079 3.858 4.189 . 0 0 "[ . 1 . 2]" 1
382 1 29 VAL HB 1 76 ILE HG12 . . 5.790 4.372 4.290 4.490 . 0 0 "[ . 1 . 2]" 1
383 1 29 VAL HB 1 76 ILE QG . . 5.130 4.246 4.172 4.353 . 0 0 "[ . 1 . 2]" 1
384 1 29 VAL HB 1 76 ILE HG13 . . 5.790 5.759 5.652 5.847 0.057 13 0 "[ . 1 . 2]" 1
385 1 29 VAL HB 1 77 GLY H . . 5.680 5.728 5.527 5.818 0.138 13 0 "[ . 1 . 2]" 1
386 1 29 VAL HB 1 79 LEU H . . 4.330 3.262 2.905 3.421 . 0 0 "[ . 1 . 2]" 1
387 1 29 VAL HB 1 79 LEU QD . . 4.400 4.025 3.860 4.180 . 0 0 "[ . 1 . 2]" 1
388 1 29 VAL QG 1 30 TYR H . . 3.770 2.112 1.899 2.440 . 0 0 "[ . 1 . 2]" 1
389 1 29 VAL QG 1 30 TYR QD . . 5.710 3.696 3.633 3.847 . 0 0 "[ . 1 . 2]" 1
390 1 29 VAL QG 1 76 ILE MD . . 2.400 1.730 1.685 1.775 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL QG 1 76 ILE HG12 . . 3.960 1.758 1.736 1.838 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL QG 1 77 GLY H . . 5.310 2.832 2.620 2.986 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL QG 1 79 LEU H . . 2.970 2.095 1.965 2.299 . 0 0 "[ . 1 . 2]" 1
394 1 30 TYR H 1 30 TYR HB2 . . 3.870 2.341 2.283 2.426 . 0 0 "[ . 1 . 2]" 1
395 1 30 TYR H 1 30 TYR QD . . 3.520 2.455 2.130 2.641 . 0 0 "[ . 1 . 2]" 1
396 1 30 TYR H 1 30 TYR QE . . 5.340 4.857 4.519 5.042 . 0 0 "[ . 1 . 2]" 1
397 1 30 TYR H 1 31 ASP H . . 4.500 4.429 4.330 4.480 . 0 0 "[ . 1 . 2]" 1
398 1 30 TYR H 1 33 THR H . . 5.670 7.483 7.178 7.812 2.142 15 20 [********-*****+*****] 1
399 1 30 TYR H 1 58 PHE QD . . 5.640 7.658 7.418 7.911 2.271 14 20 [*************+****-*] 1
400 1 30 TYR H 1 77 GLY H . . 5.830 5.677 5.585 5.788 . 0 0 "[ . 1 . 2]" 1
401 1 30 TYR HA 1 30 TYR QD . . 4.450 3.118 3.024 3.255 . 0 0 "[ . 1 . 2]" 1
402 1 30 TYR HA 1 30 TYR QE . . 5.510 4.758 4.693 4.878 . 0 0 "[ . 1 . 2]" 1
403 1 30 TYR HA 1 31 ASP H . . 2.990 2.228 2.197 2.286 . 0 0 "[ . 1 . 2]" 1
404 1 30 TYR HB2 1 32 LEU HG . . 4.830 4.573 3.399 4.939 0.109 12 0 "[ . 1 . 2]" 1
405 1 30 TYR HB3 1 32 LEU HG . . 5.000 4.730 3.830 5.115 0.115 10 0 "[ . 1 . 2]" 1
406 1 30 TYR QD 1 31 ASP H . . 5.470 4.492 4.326 4.667 . 0 0 "[ . 1 . 2]" 1
407 1 30 TYR QD 1 75 ILE MG . . 5.790 4.290 1.785 4.774 . 0 0 "[ . 1 . 2]" 1
408 1 30 TYR QE 1 75 ILE MG . . 5.810 4.313 2.343 4.782 . 0 0 "[ . 1 . 2]" 1
409 1 31 ASP H 1 31 ASP HB2 . . 3.600 2.843 2.731 2.998 . 0 0 "[ . 1 . 2]" 1
410 1 31 ASP H 1 33 THR H . . 5.660 5.113 4.999 5.320 . 0 0 "[ . 1 . 2]" 1
411 1 31 ASP H 1 74 TYR HB2 . . 5.550 4.629 4.316 4.974 . 0 0 "[ . 1 . 2]" 1
412 1 31 ASP H 1 75 ILE HA . . 4.680 2.749 2.283 3.033 . 0 0 "[ . 1 . 2]" 1
413 1 31 ASP H 1 76 ILE H . . 5.480 3.199 2.760 3.394 . 0 0 "[ . 1 . 2]" 1
414 1 31 ASP H 1 76 ILE MD . . 5.150 4.750 4.679 4.826 . 0 0 "[ . 1 . 2]" 1
415 1 31 ASP H 1 76 ILE HG12 . . 5.000 4.799 4.711 4.902 . 0 0 "[ . 1 . 2]" 1
416 1 31 ASP H 1 76 ILE QG . . 5.210 4.588 4.512 4.674 . 0 0 "[ . 1 . 2]" 1
417 1 31 ASP H 1 76 ILE HG13 . . 5.800 5.835 5.772 5.895 0.095 1 0 "[ . 1 . 2]" 1
418 1 31 ASP HA 1 32 LEU H . . 3.870 2.397 2.292 2.454 . 0 0 "[ . 1 . 2]" 1
419 1 31 ASP HA 1 33 THR H . . 5.000 3.173 3.031 3.412 . 0 0 "[ . 1 . 2]" 1
420 1 31 ASP HA 1 76 ILE MD . . 5.570 4.637 4.418 4.834 . 0 0 "[ . 1 . 2]" 1
421 1 31 ASP HB2 1 76 ILE HB . . 5.500 3.239 2.979 3.471 . 0 0 "[ . 1 . 2]" 1
422 1 31 ASP HB2 1 76 ILE MD . . 4.180 3.760 3.610 3.918 . 0 0 "[ . 1 . 2]" 1
423 1 31 ASP HB2 1 76 ILE HG13 . . 5.600 5.474 5.278 5.619 0.019 3 0 "[ . 1 . 2]" 1
424 1 32 LEU H 1 32 LEU HB2 . . 3.600 3.342 2.564 3.514 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU H 1 32 LEU HB3 . . 3.550 3.249 3.017 3.637 0.087 7 0 "[ . 1 . 2]" 1
426 1 32 LEU H 1 32 LEU QD . . 2.680 1.959 1.804 2.449 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU H 1 33 THR HA . . 5.410 4.658 4.508 4.771 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU H 1 34 LYS H . . 4.810 4.706 4.335 4.848 0.038 4 0 "[ . 1 . 2]" 1
429 1 32 LEU H 1 35 PHE HZ . . 5.500 7.681 7.279 8.215 2.715 3 20 [**+*************-***] 1
430 1 32 LEU H 1 36 LEU MD1 . . 4.400 4.024 3.726 4.228 . 0 0 "[ . 1 . 2]" 1
431 1 32 LEU HA 1 35 PHE QB . . 5.080 3.305 3.052 3.460 . 0 0 "[ . 1 . 2]" 1
432 1 32 LEU HB2 1 35 PHE HD1 . . 5.250 2.202 1.912 3.584 . 0 0 "[ . 1 . 2]" 1
433 1 32 LEU HB3 1 35 PHE HD1 . . 5.320 2.219 1.915 2.469 . 0 0 "[ . 1 . 2]" 1
434 1 32 LEU QD 1 33 THR H . . 4.620 3.997 3.552 4.125 . 0 0 "[ . 1 . 2]" 1
435 1 32 LEU QD 1 35 PHE H . . 5.580 5.027 4.050 5.210 . 0 0 "[ . 1 . 2]" 1
436 1 32 LEU QD 1 35 PHE HD1 . . 5.090 3.288 2.503 3.473 . 0 0 "[ . 1 . 2]" 1
437 1 32 LEU QD 1 35 PHE HE1 . . 4.110 2.143 1.945 2.402 . 0 0 "[ . 1 . 2]" 1
438 1 32 LEU QD 1 39 HIS QB . . 5.080 4.050 3.849 4.390 . 0 0 "[ . 1 . 2]" 1
439 1 32 LEU QD 1 39 HIS HD1 . . 5.110 4.835 4.481 6.066 0.956 7 1 "[ . + 1 . 2]" 1
440 1 32 LEU QD 2 1 HEM HAC . . 6.200 5.658 4.657 6.735 0.535 7 1 "[ . + 1 . 2]" 1
441 1 32 LEU HG 1 35 PHE QB . . 5.740 6.313 5.958 6.469 0.729 11 16 "[ * ** ***+***-*****]" 1
442 1 32 LEU HG 1 35 PHE HE1 . . 5.160 4.194 2.409 4.614 . 0 0 "[ . 1 . 2]" 1
443 1 33 THR H 1 33 THR MG . . 4.680 2.855 1.775 3.201 . 0 0 "[ . 1 . 2]" 1
444 1 33 THR H 1 34 LYS H . . 4.380 2.571 2.413 2.771 . 0 0 "[ . 1 . 2]" 1
445 1 33 THR H 1 34 LYS HA . . 5.480 5.119 4.999 5.282 . 0 0 "[ . 1 . 2]" 1
446 1 33 THR H 1 34 LYS HB2 . . 5.890 4.747 4.422 5.908 0.018 4 0 "[ . 1 . 2]" 1
447 1 33 THR H 1 36 LEU H . . 5.210 4.771 4.617 4.959 . 0 0 "[ . 1 . 2]" 1
448 1 33 THR HA 1 34 LYS HA . . 4.690 4.609 4.603 4.648 . 0 0 "[ . 1 . 2]" 1
449 1 33 THR HA 1 35 PHE H . . 4.960 4.911 4.703 5.037 0.077 7 0 "[ . 1 . 2]" 1
450 1 33 THR HA 1 36 LEU HB2 . . 4.980 2.293 2.032 2.385 . 0 0 "[ . 1 . 2]" 1
451 1 34 LYS H 1 35 PHE QB . . 5.700 4.059 3.939 4.190 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS H 1 39 HIS QB . . 5.680 7.271 7.140 7.401 1.721 4 20 [***+**************-*] 1
453 1 34 LYS HA 1 34 LYS HB2 . . 3.050 2.543 2.403 2.662 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS HA 1 34 LYS HD2 . . 3.400 2.887 2.087 3.525 0.125 4 0 "[ . 1 . 2]" 1
455 1 34 LYS HA 1 34 LYS HG2 . . 3.680 3.639 3.487 3.753 0.073 6 0 "[ . 1 . 2]" 1
456 1 34 LYS HA 1 35 PHE H . . 3.610 3.630 3.608 3.637 0.027 7 0 "[ . 1 . 2]" 1
457 1 34 LYS HA 1 36 LEU H . . 4.200 3.679 3.633 3.756 . 0 0 "[ . 1 . 2]" 1
458 1 34 LYS HB3 1 35 PHE QB . . 5.930 3.641 3.460 5.341 . 0 0 "[ . 1 . 2]" 1
459 1 34 LYS HD2 1 74 TYR HE1 . . 5.710 5.679 5.380 5.764 0.054 4 0 "[ . 1 . 2]" 1
460 1 34 LYS HG2 1 35 PHE H . . 4.990 4.295 1.910 4.784 . 0 0 "[ . 1 . 2]" 1
461 1 34 LYS HG2 1 74 TYR HE1 . . 4.140 3.068 2.406 3.854 . 0 0 "[ . 1 . 2]" 1
462 1 35 PHE H 1 35 PHE QB . . 3.080 1.939 1.899 1.986 . 0 0 "[ . 1 . 2]" 1
463 1 35 PHE H 1 35 PHE HD1 . . 4.800 2.954 2.725 3.207 . 0 0 "[ . 1 . 2]" 1
464 1 35 PHE H 1 35 PHE HZ . . 5.560 6.979 6.818 7.136 1.576 3 20 [**+*****-***********] 1
465 1 35 PHE H 1 74 TYR HD2 . . 4.960 4.901 4.486 4.999 0.039 1 0 "[ . 1 . 2]" 1
466 1 35 PHE HA 1 35 PHE HD1 . . 3.980 4.270 4.157 4.399 0.419 3 0 "[ . 1 . 2]" 1
467 1 35 PHE HA 1 35 PHE HE1 . . 6.140 6.254 6.203 6.308 0.168 3 0 "[ . 1 . 2]" 1
468 1 35 PHE HA 1 38 GLU H . . 4.200 2.731 2.657 2.811 . 0 0 "[ . 1 . 2]" 1
469 1 35 PHE HA 1 38 GLU HB2 . . 4.020 2.123 2.003 2.352 . 0 0 "[ . 1 . 2]" 1
470 1 35 PHE QB 1 36 LEU H . . 4.750 3.775 3.691 3.915 . 0 0 "[ . 1 . 2]" 1
471 1 35 PHE QB 1 36 LEU HG . . 5.940 6.337 6.233 6.480 0.540 17 2 "[ . - 1 . + 2]" 1
472 1 35 PHE QB 1 39 HIS HD2 . . 5.700 6.345 6.114 6.603 0.903 2 15 "[*+****- *** ** ** *]" 1
473 1 35 PHE QB 1 74 TYR HD2 . . 5.070 3.169 2.789 3.423 . 0 0 "[ . 1 . 2]" 1
474 1 35 PHE QB 1 74 TYR HE1 . . 4.510 3.872 3.320 4.210 . 0 0 "[ . 1 . 2]" 1
475 1 35 PHE HD1 1 46 LEU MD1 . . 4.900 4.386 3.967 4.545 . 0 0 "[ . 1 . 2]" 1
476 1 35 PHE HD2 1 38 GLU HB2 . . 4.700 2.859 2.597 3.191 . 0 0 "[ . 1 . 2]" 1
477 1 35 PHE HD2 1 39 HIS HA . . 4.990 3.996 3.841 4.161 . 0 0 "[ . 1 . 2]" 1
478 1 35 PHE HD2 1 39 HIS QB . . 5.490 3.911 3.760 4.029 . 0 0 "[ . 1 . 2]" 1
479 1 35 PHE HE1 1 46 LEU MD1 . . 3.740 3.345 2.927 3.523 . 0 0 "[ . 1 . 2]" 1
480 1 35 PHE HE2 1 38 GLU HB2 . . 5.210 4.883 4.632 5.219 0.009 13 0 "[ . 1 . 2]" 1
481 1 35 PHE HE2 1 38 GLU HB3 . . 5.510 4.317 3.688 4.897 . 0 0 "[ . 1 . 2]" 1
482 1 35 PHE HE2 1 39 HIS H . . 5.500 4.543 4.299 4.851 . 0 0 "[ . 1 . 2]" 1
483 1 35 PHE HE2 1 39 HIS HA . . 3.520 2.672 2.470 2.869 . 0 0 "[ . 1 . 2]" 1
484 1 35 PHE HE2 1 39 HIS HD2 . . 3.800 2.564 2.245 2.957 . 0 0 "[ . 1 . 2]" 1
485 1 35 PHE HE2 1 40 PRO QD . . 4.350 3.230 3.091 3.353 . 0 0 "[ . 1 . 2]" 1
486 1 35 PHE HZ 1 39 HIS HA . . 5.630 3.668 3.274 3.963 . 0 0 "[ . 1 . 2]" 1
487 1 35 PHE HZ 1 39 HIS QB . . 4.960 2.631 2.506 2.822 . 0 0 "[ . 1 . 2]" 1
488 1 36 LEU H 1 36 LEU HB2 . . 4.000 2.016 2.001 2.043 . 0 0 "[ . 1 . 2]" 1
489 1 36 LEU H 1 36 LEU MD1 . . 4.300 3.693 3.558 3.759 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU H 1 36 LEU MD2 . . 5.670 4.385 4.372 4.412 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU H 1 36 LEU HG . . 3.970 3.999 3.951 4.056 0.086 7 0 "[ . 1 . 2]" 1
492 1 36 LEU H 1 37 GLU H . . 3.390 2.739 2.621 2.793 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU H 1 37 GLU HA . . 5.600 5.258 5.167 5.291 . 0 0 "[ . 1 . 2]" 1
494 1 36 LEU H 1 37 GLU HB2 . . 4.850 4.842 4.755 4.883 0.033 8 0 "[ . 1 . 2]" 1
495 1 36 LEU H 1 39 HIS H . . 5.500 4.947 4.668 5.044 . 0 0 "[ . 1 . 2]" 1
496 1 36 LEU H 1 46 LEU MD1 . . 5.700 4.576 4.348 4.725 . 0 0 "[ . 1 . 2]" 1
497 1 36 LEU MD1 1 46 LEU HB2 . . 5.280 2.927 2.726 3.071 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU MD1 1 46 LEU MD1 . . 5.100 3.313 2.992 3.504 . 0 0 "[ . 1 . 2]" 1
499 1 36 LEU MD2 1 46 LEU MD1 . . 3.990 2.020 1.898 2.200 . 0 0 "[ . 1 . 2]" 1
500 1 36 LEU MD2 1 47 ARG H . . 3.900 3.517 3.112 3.715 . 0 0 "[ . 1 . 2]" 1
501 1 36 LEU HG 1 39 HIS H . . 5.470 5.525 5.369 5.577 0.107 1 0 "[ . 1 . 2]" 1
502 1 36 LEU HG 1 43 GLU HA . . 5.000 4.337 4.055 4.595 . 0 0 "[ . 1 . 2]" 1
503 1 36 LEU HG 1 46 LEU HB2 . . 5.000 2.693 2.494 3.081 . 0 0 "[ . 1 . 2]" 1
504 1 36 LEU HG 1 47 ARG HG2 . . 5.500 5.529 5.453 5.578 0.078 13 0 "[ . 1 . 2]" 1
505 1 37 GLU H 1 37 GLU HA . . 2.800 2.846 2.817 2.874 0.074 5 0 "[ . 1 . 2]" 1
506 1 37 GLU H 1 37 GLU HB2 . . 2.730 2.308 2.210 2.443 . 0 0 "[ . 1 . 2]" 1
507 1 37 GLU H 1 37 GLU HB3 . . 2.960 2.772 2.691 2.836 . 0 0 "[ . 1 . 2]" 1
508 1 37 GLU H 1 37 GLU HG2 . . 4.380 4.333 4.274 4.406 0.026 16 0 "[ . 1 . 2]" 1
509 1 37 GLU H 1 38 GLU H . . 3.050 2.385 2.276 2.493 . 0 0 "[ . 1 . 2]" 1
510 1 37 GLU H 1 38 GLU HB2 . . 5.210 4.270 4.057 4.449 . 0 0 "[ . 1 . 2]" 1
511 1 37 GLU H 1 39 HIS H . . 4.860 3.886 3.839 3.976 . 0 0 "[ . 1 . 2]" 1
512 1 37 GLU H 1 39 HIS QB . . 5.510 4.837 4.726 4.904 . 0 0 "[ . 1 . 2]" 1
513 1 37 GLU HA 1 37 GLU HB2 . . 2.620 2.655 2.614 2.682 0.062 3 0 "[ . 1 . 2]" 1
514 1 37 GLU HA 1 38 GLU H . . 3.570 3.493 3.464 3.534 . 0 0 "[ . 1 . 2]" 1
515 1 37 GLU HA 1 39 HIS H . . 4.400 3.535 3.434 4.051 . 0 0 "[ . 1 . 2]" 1
516 1 37 GLU HA 1 43 GLU QB . . 5.560 4.172 3.894 4.550 . 0 0 "[ . 1 . 2]" 1
517 1 37 GLU HB2 1 38 GLU H . . 5.000 3.932 3.821 4.042 . 0 0 "[ . 1 . 2]" 1
518 1 37 GLU HG2 1 38 GLU H . . 4.870 4.814 4.675 4.879 0.009 6 0 "[ . 1 . 2]" 1
519 1 38 GLU H 1 38 GLU HB2 . . 3.550 2.169 2.111 2.321 . 0 0 "[ . 1 . 2]" 1
520 1 38 GLU H 1 39 HIS H . . 2.830 2.450 2.300 2.528 . 0 0 "[ . 1 . 2]" 1
521 1 38 GLU H 1 39 HIS QB . . 4.340 4.025 3.973 4.062 . 0 0 "[ . 1 . 2]" 1
522 1 38 GLU H 1 40 PRO QG . . 5.960 7.857 7.804 7.906 1.946 19 20 [******-***********+*] 1
523 1 38 GLU HA 1 38 GLU HB2 . . 2.940 2.992 2.948 3.041 0.101 6 0 "[ . 1 . 2]" 1
524 1 38 GLU HA 1 39 HIS H . . 3.580 3.351 3.311 3.518 . 0 0 "[ . 1 . 2]" 1
525 1 38 GLU HA 1 40 PRO QD . . 5.800 5.247 5.111 5.415 . 0 0 "[ . 1 . 2]" 1
526 1 38 GLU QB 1 39 HIS HA . . 4.620 4.066 3.902 4.109 . 0 0 "[ . 1 . 2]" 1
527 1 39 HIS H 1 39 HIS QB . . 2.920 2.267 2.189 2.301 . 0 0 "[ . 1 . 2]" 1
528 1 39 HIS H 1 39 HIS HD1 . . 5.470 4.908 4.879 4.954 . 0 0 "[ . 1 . 2]" 1
529 1 39 HIS H 1 40 PRO QG . . 5.820 6.079 6.029 6.124 0.304 16 0 "[ . 1 . 2]" 1
530 1 39 HIS H 1 42 GLY QA . . 5.670 6.425 6.303 6.644 0.974 16 20 [***************+-***] 1
531 1 39 HIS HA 1 40 PRO HA . . 4.710 4.346 4.343 4.353 . 0 0 "[ . 1 . 2]" 1
532 1 39 HIS HA 1 40 PRO QD . . 3.410 1.846 1.844 1.849 . 0 0 "[ . 1 . 2]" 1
533 1 39 HIS HA 1 46 LEU MD1 . . 5.350 4.398 4.302 4.637 . 0 0 "[ . 1 . 2]" 1
534 1 39 HIS QB 1 40 PRO QD . . 4.210 3.388 3.363 3.428 . 0 0 "[ . 1 . 2]" 1
535 1 39 HIS QB 1 41 GLY H . . 4.430 3.324 3.144 3.517 . 0 0 "[ . 1 . 2]" 1
536 1 39 HIS QB 1 41 GLY QA . . 5.550 4.167 4.095 4.272 . 0 0 "[ . 1 . 2]" 1
537 1 39 HIS QB 1 42 GLY H . . 5.040 3.475 3.406 3.514 . 0 0 "[ . 1 . 2]" 1
538 1 39 HIS QB 1 43 GLU HA . . 5.700 5.210 5.044 5.303 . 0 0 "[ . 1 . 2]" 1
539 1 39 HIS QB 1 46 LEU MD1 . . 2.670 1.924 1.805 2.231 . 0 0 "[ . 1 . 2]" 1
540 1 39 HIS QB 1 46 LEU HG . . 5.380 4.229 4.095 4.309 . 0 0 "[ . 1 . 2]" 1
541 1 39 HIS HD1 1 40 PRO QD . . 5.330 4.187 4.000 4.450 . 0 0 "[ . 1 . 2]" 1
542 1 39 HIS HD1 1 41 GLY QA . . 5.880 2.347 2.208 2.616 . 0 0 "[ . 1 . 2]" 1
543 1 39 HIS HD1 1 43 GLU HA . . 5.500 5.465 5.204 5.559 0.059 5 0 "[ . 1 . 2]" 1
544 1 39 HIS HD1 1 45 VAL QG . . 5.370 3.691 3.377 3.872 . 0 0 "[ . 1 . 2]" 1
545 1 39 HIS HD1 1 46 LEU MD1 . . 2.560 1.927 1.835 2.277 . 0 0 "[ . 1 . 2]" 1
546 1 39 HIS HD1 1 46 LEU HG . . 3.830 3.301 3.002 3.403 . 0 0 "[ . 1 . 2]" 1
547 1 39 HIS HD2 1 40 PRO QD . . 4.210 2.200 1.972 2.356 . 0 0 "[ . 1 . 2]" 1
548 1 39 HIS HE1 1 40 PRO QD . . 5.280 4.423 4.248 4.674 . 0 0 "[ . 1 . 2]" 1
549 1 39 HIS NE2 2 1 HEM FE . . 2.000 1.964 1.884 2.009 0.009 5 0 "[ . 1 . 2]" 1
550 1 40 PRO HB2 1 41 GLY H . . 5.000 3.864 3.694 4.026 . 0 0 "[ . 1 . 2]" 1
551 1 40 PRO QD 1 41 GLY H . . 5.120 2.480 2.337 2.659 . 0 0 "[ . 1 . 2]" 1
552 1 40 PRO QD 1 41 GLY QA . . 5.000 3.971 3.936 4.018 . 0 0 "[ . 1 . 2]" 1
553 1 40 PRO QD 1 42 GLY H . . 5.560 5.235 5.124 5.323 . 0 0 "[ . 1 . 2]" 1
554 1 41 GLY QA 1 42 GLY H . . 2.990 2.385 2.367 2.403 . 0 0 "[ . 1 . 2]" 1
555 1 41 GLY QA 1 45 VAL QG . . 5.260 3.083 2.770 3.287 . 0 0 "[ . 1 . 2]" 1
556 1 41 GLY QA 1 46 LEU H . . 4.930 5.482 5.218 5.647 0.717 1 14 "[+* ******** **- *]" 1
557 1 41 GLY QA 1 46 LEU MD1 . . 6.380 3.796 3.605 4.242 . 0 0 "[ . 1 . 2]" 1
558 1 41 GLY QA 1 46 LEU HG . . 6.280 4.592 4.485 4.749 . 0 0 "[ . 1 . 2]" 1
559 1 41 GLY QA 2 1 HEM HAC . . 5.880 5.174 4.751 5.577 . 0 0 "[ . 1 . 2]" 1
560 1 42 GLY H 1 46 LEU HG . . 5.470 3.021 2.870 3.270 . 0 0 "[ . 1 . 2]" 1
561 1 42 GLY QA 1 43 GLU H . . 3.000 2.306 2.295 2.320 . 0 0 "[ . 1 . 2]" 1
562 1 42 GLY QA 1 43 GLU HB2 . . 5.200 4.397 4.358 4.434 . 0 0 "[ . 1 . 2]" 1
563 1 42 GLY QA 1 44 GLU H . . 4.300 3.185 3.131 3.301 . 0 0 "[ . 1 . 2]" 1
564 1 43 GLU H 1 43 GLU HG2 . . 4.860 3.974 3.921 4.037 . 0 0 "[ . 1 . 2]" 1
565 1 43 GLU H 1 44 GLU H . . 4.200 1.808 1.763 1.872 . 0 0 "[ . 1 . 2]" 1
566 1 43 GLU H 1 44 GLU HA . . 4.670 4.489 4.464 4.548 . 0 0 "[ . 1 . 2]" 1
567 1 43 GLU H 1 46 LEU H . . 4.550 4.478 4.284 4.678 0.128 18 0 "[ . 1 . 2]" 1
568 1 43 GLU HA 1 43 GLU HB3 . . 3.000 3.007 2.998 3.017 0.017 18 0 "[ . 1 . 2]" 1
569 1 43 GLU HA 1 44 GLU H . . 3.600 3.430 3.394 3.492 . 0 0 "[ . 1 . 2]" 1
570 1 43 GLU HA 1 45 VAL H . . 4.700 4.115 3.775 4.601 . 0 0 "[ . 1 . 2]" 1
571 1 43 GLU HA 1 45 VAL QG . . 5.000 4.047 3.786 4.206 . 0 0 "[ . 1 . 2]" 1
572 1 43 GLU HA 1 46 LEU H . . 5.000 3.963 3.842 4.177 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLU HA 1 46 LEU MD1 . . 5.000 3.234 3.114 3.365 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLU HA 1 46 LEU MD2 . . 5.000 4.538 4.431 4.655 . 0 0 "[ . 1 . 2]" 1
575 1 43 GLU HA 1 46 LEU HG . . 5.000 3.109 2.998 3.262 . 0 0 "[ . 1 . 2]" 1
576 1 43 GLU HA 1 47 ARG H . . 4.990 4.690 4.554 4.800 . 0 0 "[ . 1 . 2]" 1
577 1 43 GLU HA 1 47 ARG HG2 . . 5.000 4.229 4.062 4.514 . 0 0 "[ . 1 . 2]" 1
578 1 43 GLU HG2 1 44 GLU H . . 5.850 3.797 3.701 3.830 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLU HG2 1 44 GLU HA . . 3.400 3.566 3.487 3.609 0.209 9 0 "[ . 1 . 2]" 1
580 1 44 GLU H 1 44 GLU HB2 . . 3.580 3.669 3.404 3.779 0.199 9 0 "[ . 1 . 2]" 1
581 1 44 GLU H 1 44 GLU HG2 . . 3.800 2.669 2.121 3.871 0.071 15 0 "[ . 1 . 2]" 1
582 1 44 GLU H 1 45 VAL HB . . 5.000 4.632 4.502 4.818 . 0 0 "[ . 1 . 2]" 1
583 1 44 GLU H 1 45 VAL QG . . 3.810 2.580 2.483 2.728 . 0 0 "[ . 1 . 2]" 1
584 1 44 GLU HA 1 44 GLU HB2 . . 2.900 2.440 2.302 2.519 . 0 0 "[ . 1 . 2]" 1
585 1 44 GLU HA 1 44 GLU HG2 . . 4.000 3.566 3.515 3.616 . 0 0 "[ . 1 . 2]" 1
586 1 44 GLU HA 1 47 ARG H . . 4.420 3.453 3.192 3.906 . 0 0 "[ . 1 . 2]" 1
587 1 44 GLU HA 1 47 ARG HB2 . . 4.850 4.598 4.390 4.880 0.030 2 0 "[ . 1 . 2]" 1
588 1 44 GLU HA 1 47 ARG QD . . 4.300 2.341 2.028 2.819 . 0 0 "[ . 1 . 2]" 1
589 1 44 GLU HA 1 47 ARG HG2 . . 4.000 2.278 1.974 2.606 . 0 0 "[ . 1 . 2]" 1
590 1 44 GLU HA 1 48 GLU H . . 4.100 3.859 3.710 4.044 . 0 0 "[ . 1 . 2]" 1
591 1 44 GLU HA 1 48 GLU HB2 . . 5.460 4.647 4.432 4.804 . 0 0 "[ . 1 . 2]" 1
592 1 44 GLU HG2 1 45 VAL HA . . 4.020 3.610 3.438 3.831 . 0 0 "[ . 1 . 2]" 1
593 1 44 GLU HG2 1 48 GLU H . . 5.480 5.279 4.830 5.554 0.074 5 0 "[ . 1 . 2]" 1
594 1 45 VAL H 1 45 VAL HB . . 3.850 3.162 2.888 3.367 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL H 1 46 LEU H . . 3.920 2.231 2.044 2.725 . 0 0 "[ . 1 . 2]" 1
596 1 45 VAL H 1 46 LEU HB2 . . 5.550 4.798 4.557 5.219 . 0 0 "[ . 1 . 2]" 1
597 1 45 VAL H 1 46 LEU HG . . 4.970 3.399 3.143 4.022 . 0 0 "[ . 1 . 2]" 1
598 1 45 VAL HA 1 45 VAL HB . . 2.900 2.244 2.214 2.265 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL HA 1 46 LEU HG . . 5.370 5.338 5.233 5.468 0.098 17 0 "[ . 1 . 2]" 1
600 1 45 VAL HA 1 48 GLU HB2 . . 2.740 1.961 1.820 2.642 . 0 0 "[ . 1 . 2]" 1
601 1 45 VAL HA 1 48 GLU HB3 . . 3.190 3.172 2.220 3.307 0.117 9 0 "[ . 1 . 2]" 1
602 1 45 VAL HA 1 48 GLU HG2 . . 5.500 3.533 2.972 4.043 . 0 0 "[ . 1 . 2]" 1
603 1 45 VAL HA 1 49 GLN H . . 5.000 4.983 4.778 5.093 0.093 3 0 "[ . 1 . 2]" 1
604 1 45 VAL HA 1 49 GLN HG2 . . 5.300 5.174 4.648 5.344 0.044 12 0 "[ . 1 . 2]" 1
605 1 45 VAL HB 1 46 LEU H . . 4.000 4.290 4.127 4.410 0.410 5 0 "[ . 1 . 2]" 1
606 1 45 VAL QG 1 46 LEU H . . 2.710 2.285 1.955 2.506 . 0 0 "[ . 1 . 2]" 1
607 1 45 VAL QG 1 46 LEU HB2 . . 5.480 4.192 4.048 4.268 . 0 0 "[ . 1 . 2]" 1
608 1 45 VAL QG 1 46 LEU MD1 . . 5.680 3.625 3.557 3.682 . 0 0 "[ . 1 . 2]" 1
609 1 45 VAL QG 1 46 LEU HG . . 3.920 2.654 2.566 2.779 . 0 0 "[ . 1 . 2]" 1
610 1 45 VAL QG 1 47 ARG H . . 5.280 4.158 4.092 4.283 . 0 0 "[ . 1 . 2]" 1
611 1 45 VAL QG 1 48 GLU HB2 . . 5.580 3.676 3.429 4.319 . 0 0 "[ . 1 . 2]" 1
612 1 45 VAL QG 1 49 GLN QB . . 5.760 5.032 4.772 5.307 . 0 0 "[ . 1 . 2]" 1
613 1 45 VAL QG 2 1 HEM HAC . . 2.740 2.277 1.871 2.560 . 0 0 "[ . 1 . 2]" 1
614 1 46 LEU H 1 46 LEU HB2 . . 3.830 2.767 2.706 2.822 . 0 0 "[ . 1 . 2]" 1
615 1 46 LEU H 1 46 LEU QB . . 3.520 2.673 2.629 2.709 . 0 0 "[ . 1 . 2]" 1
616 1 46 LEU H 1 46 LEU HB3 . . 3.830 3.535 3.493 3.570 . 0 0 "[ . 1 . 2]" 1
617 1 46 LEU H 1 46 LEU MD1 . . 4.710 3.605 3.555 3.680 . 0 0 "[ . 1 . 2]" 1
618 1 46 LEU H 1 46 LEU HG . . 3.760 1.933 1.862 2.051 . 0 0 "[ . 1 . 2]" 1
619 1 46 LEU H 1 47 ARG H . . 3.020 2.553 2.323 2.886 . 0 0 "[ . 1 . 2]" 1
620 1 46 LEU H 1 47 ARG HA . . 5.540 5.096 4.927 5.332 . 0 0 "[ . 1 . 2]" 1
621 1 46 LEU H 1 48 GLU H . . 4.070 3.610 3.497 3.743 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU H 1 48 GLU HB3 . . 5.790 5.708 4.415 5.898 0.108 7 0 "[ . 1 . 2]" 1
623 1 46 LEU H 1 48 GLU HG2 . . 6.410 6.313 6.076 6.583 0.173 17 0 "[ . 1 . 2]" 1
624 1 46 LEU HA 1 46 LEU MD1 . . 4.750 3.872 3.810 3.912 . 0 0 "[ . 1 . 2]" 1
625 1 46 LEU HA 1 46 LEU HG . . 4.080 3.512 3.464 3.543 . 0 0 "[ . 1 . 2]" 1
626 1 46 LEU HA 1 48 GLU H . . 5.760 4.171 4.014 4.300 . 0 0 "[ . 1 . 2]" 1
627 1 46 LEU HA 1 49 GLN H . . 5.320 4.218 3.885 4.418 . 0 0 "[ . 1 . 2]" 1
628 1 46 LEU HA 2 1 HEM HBC2 . . 5.500 4.634 3.827 5.528 0.028 7 0 "[ . 1 . 2]" 1
629 1 46 LEU MD1 1 47 ARG H . . 5.860 4.532 4.304 4.687 . 0 0 "[ . 1 . 2]" 1
630 1 46 LEU MD2 2 1 HEM HAC . . 5.840 3.103 2.729 3.807 . 0 0 "[ . 1 . 2]" 1
631 1 46 LEU HG 1 47 ARG H . . 4.850 3.777 3.660 3.908 . 0 0 "[ . 1 . 2]" 1
632 1 47 ARG H 1 47 ARG HB2 . . 3.390 3.540 3.511 3.558 0.168 9 0 "[ . 1 . 2]" 1
633 1 47 ARG H 1 47 ARG QB . . 3.030 2.756 2.606 2.868 . 0 0 "[ . 1 . 2]" 1
634 1 47 ARG H 1 47 ARG HB3 . . 3.390 2.877 2.682 3.042 . 0 0 "[ . 1 . 2]" 1
635 1 47 ARG H 1 48 GLU H . . 2.990 2.380 2.204 2.641 . 0 0 "[ . 1 . 2]" 1
636 1 47 ARG H 1 48 GLU HA . . 5.700 4.822 4.637 5.075 . 0 0 "[ . 1 . 2]" 1
637 1 47 ARG H 1 49 GLN H . . 5.480 4.209 3.988 4.398 . 0 0 "[ . 1 . 2]" 1
638 1 47 ARG H 1 49 GLN HA . . 5.980 7.023 6.853 7.174 1.194 17 20 [******-*********+***] 1
639 1 47 ARG HA 1 47 ARG HB2 . . 3.010 2.615 2.583 2.667 . 0 0 "[ . 1 . 2]" 1
640 1 47 ARG HA 1 47 ARG HG2 . . 4.200 3.756 3.670 3.893 . 0 0 "[ . 1 . 2]" 1
641 1 47 ARG HA 1 49 GLN H . . 4.100 3.472 3.278 3.745 . 0 0 "[ . 1 . 2]" 1
642 1 47 ARG HA 1 50 ALA HA . . 5.000 4.054 3.846 4.380 . 0 0 "[ . 1 . 2]" 1
643 1 47 ARG HA 1 50 ALA MB . . 5.000 1.984 1.750 2.408 . 0 0 "[ . 1 . 2]" 1
644 1 47 ARG HB2 1 47 ARG QD . . 3.620 2.369 2.088 2.776 . 0 0 "[ . 1 . 2]" 1
645 1 47 ARG HB2 1 48 GLU H . . 4.300 3.914 3.766 4.009 . 0 0 "[ . 1 . 2]" 1
646 1 47 ARG HB3 1 48 GLU H . . 4.300 4.296 4.226 4.370 0.070 6 0 "[ . 1 . 2]" 1
647 1 47 ARG HB3 1 48 GLU HA . . 5.570 5.639 5.613 5.667 0.097 16 0 "[ . 1 . 2]" 1
648 1 47 ARG HB3 1 48 GLU HB2 . . 6.400 6.293 6.208 6.511 0.111 17 0 "[ . 1 . 2]" 1
649 1 47 ARG HB3 1 50 ALA H . . 5.520 5.136 4.829 5.477 . 0 0 "[ . 1 . 2]" 1
650 1 47 ARG QD 1 57 ASN H . . 5.540 13.271 12.826 13.761 8.221 7 20 [******+**********-**] 1
651 1 48 GLU H 1 48 GLU HB2 . . 3.310 2.058 2.018 2.619 . 0 0 "[ . 1 . 2]" 1
652 1 48 GLU H 1 48 GLU HG2 . . 5.290 3.824 3.442 4.416 . 0 0 "[ . 1 . 2]" 1
653 1 48 GLU H 1 49 GLN H . . 3.510 2.807 2.663 2.880 . 0 0 "[ . 1 . 2]" 1
654 1 48 GLU H 1 49 GLN HA . . 5.310 5.314 5.201 5.362 0.052 13 0 "[ . 1 . 2]" 1
655 1 48 GLU H 1 49 GLN QB . . 5.380 4.949 4.677 5.178 . 0 0 "[ . 1 . 2]" 1
656 1 48 GLU HA 1 49 GLN H . . 3.510 3.517 3.422 3.571 0.061 14 0 "[ . 1 . 2]" 1
657 1 48 GLU HA 1 49 GLN HA . . 4.630 4.498 4.446 4.560 . 0 0 "[ . 1 . 2]" 1
658 1 48 GLU HA 1 49 GLN HG2 . . 5.500 4.832 4.642 4.988 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLN H 1 49 GLN QB . . 3.660 2.544 2.448 2.968 . 0 0 "[ . 1 . 2]" 1
660 1 49 GLN H 1 49 GLN HG2 . . 4.420 3.029 2.589 3.558 . 0 0 "[ . 1 . 2]" 1
661 1 49 GLN HA 1 51 GLY H . . 5.530 3.742 3.481 4.043 . 0 0 "[ . 1 . 2]" 1
662 1 49 GLN HA 1 52 GLY HA3 . . 5.930 5.071 4.574 5.711 . 0 0 "[ . 1 . 2]" 1
663 1 49 GLN QB 1 54 ALA HA . . 3.430 2.547 2.031 2.956 . 0 0 "[ . 1 . 2]" 1
664 1 49 GLN QB 1 55 THR MG . . 5.610 5.711 5.303 6.110 0.500 7 0 "[ . 1 . 2]" 1
665 1 49 GLN HG2 1 50 ALA H . . 5.180 4.951 4.650 5.187 0.007 7 0 "[ . 1 . 2]" 1
666 1 49 GLN HG2 1 54 ALA HA . . 5.790 4.289 3.548 4.846 . 0 0 "[ . 1 . 2]" 1
667 1 49 GLN HG2 1 57 ASN H . . 6.130 5.889 5.257 6.246 0.116 7 0 "[ . 1 . 2]" 1
668 1 50 ALA H 1 50 ALA HA . . 3.000 2.898 2.867 2.932 . 0 0 "[ . 1 . 2]" 1
669 1 50 ALA H 1 50 ALA MB . . 3.400 2.137 2.054 2.212 . 0 0 "[ . 1 . 2]" 1
670 1 50 ALA H 1 51 GLY H . . 4.610 3.531 3.342 3.746 . 0 0 "[ . 1 . 2]" 1
671 1 50 ALA HA 1 50 ALA MB . . 2.400 2.136 2.107 2.152 . 0 0 "[ . 1 . 2]" 1
672 1 50 ALA HA 1 51 GLY H . . 2.680 2.611 2.493 2.725 0.045 15 0 "[ . 1 . 2]" 1
673 1 50 ALA HA 1 51 GLY QA . . 4.830 3.998 3.977 4.019 . 0 0 "[ . 1 . 2]" 1
674 1 50 ALA HA 1 52 GLY H . . 4.320 4.344 4.227 4.413 0.093 8 0 "[ . 1 . 2]" 1
675 1 50 ALA MB 1 51 GLY H . . 4.690 3.789 3.778 3.793 . 0 0 "[ . 1 . 2]" 1
676 1 51 GLY H 1 52 GLY H . . 3.140 1.821 1.746 1.884 . 0 0 "[ . 1 . 2]" 1
677 1 51 GLY H 1 52 GLY HA3 . . 5.600 4.163 4.082 4.234 . 0 0 "[ . 1 . 2]" 1
678 1 51 GLY HA3 1 52 GLY H . . 4.000 2.946 2.912 2.991 . 0 0 "[ . 1 . 2]" 1
679 1 52 GLY H 1 52 GLY HA2 . . 3.000 2.956 2.947 2.961 . 0 0 "[ . 1 . 2]" 1
680 1 52 GLY H 1 52 GLY HA3 . . 3.000 2.413 2.370 2.468 . 0 0 "[ . 1 . 2]" 1
681 1 52 GLY H 1 53 ASP H . . 4.450 3.852 3.628 4.030 . 0 0 "[ . 1 . 2]" 1
682 1 52 GLY HA2 1 53 ASP H . . 3.600 3.195 3.088 3.317 . 0 0 "[ . 1 . 2]" 1
683 1 52 GLY HA2 1 54 ALA H . . 6.070 6.130 6.051 6.221 0.151 10 0 "[ . 1 . 2]" 1
684 1 52 GLY HA3 1 53 ASP H . . 5.000 2.223 2.199 2.261 . 0 0 "[ . 1 . 2]" 1
685 1 53 ASP H 1 53 ASP HA . . 3.000 2.911 2.909 2.912 . 0 0 "[ . 1 . 2]" 1
686 1 53 ASP H 1 53 ASP HB2 . . 3.630 3.585 2.879 3.700 0.070 9 0 "[ . 1 . 2]" 1
687 1 53 ASP H 1 53 ASP HB3 . . 3.930 2.995 2.477 3.468 . 0 0 "[ . 1 . 2]" 1
688 1 53 ASP H 1 54 ALA H . . 5.000 4.345 4.307 4.393 . 0 0 "[ . 1 . 2]" 1
689 1 53 ASP H 1 55 THR H . . 5.500 5.478 5.281 5.707 0.207 14 0 "[ . 1 . 2]" 1
690 1 53 ASP H 1 87 ILE MD . . 5.000 4.423 3.831 4.728 . 0 0 "[ . 1 . 2]" 1
691 1 53 ASP HA 1 54 ALA H . . 5.000 2.254 2.251 2.259 . 0 0 "[ . 1 . 2]" 1
692 1 53 ASP HA 1 54 ALA MB . . 5.000 3.994 3.957 4.035 . 0 0 "[ . 1 . 2]" 1
693 1 53 ASP HA 1 55 THR H . . 4.000 3.454 3.377 3.561 . 0 0 "[ . 1 . 2]" 1
694 1 53 ASP HB3 1 54 ALA H . . 5.000 4.313 3.930 4.508 . 0 0 "[ . 1 . 2]" 1
695 1 53 ASP HB3 1 87 ILE MD . . 5.000 3.944 3.307 4.698 . 0 0 "[ . 1 . 2]" 1
696 1 54 ALA H 1 55 THR H . . 3.240 2.164 1.972 2.271 . 0 0 "[ . 1 . 2]" 1
697 1 54 ALA H 1 55 THR HA . . 5.770 4.623 4.485 4.715 . 0 0 "[ . 1 . 2]" 1
698 1 54 ALA H 1 55 THR HB . . 5.590 4.467 4.289 4.566 . 0 0 "[ . 1 . 2]" 1
699 1 54 ALA H 1 55 THR MG . . 3.670 3.250 3.019 3.388 . 0 0 "[ . 1 . 2]" 1
700 1 54 ALA H 1 57 ASN H . . 5.580 5.214 4.999 5.310 . 0 0 "[ . 1 . 2]" 1
701 1 54 ALA HA 1 55 THR H . . 3.690 3.461 3.406 3.497 . 0 0 "[ . 1 . 2]" 1
702 1 54 ALA HA 1 55 THR HA . . 5.540 4.905 4.902 4.906 . 0 0 "[ . 1 . 2]" 1
703 1 54 ALA HA 1 55 THR MG . . 4.640 4.334 4.213 4.410 . 0 0 "[ . 1 . 2]" 1
704 1 54 ALA HA 1 57 ASN H . . 3.860 3.039 2.856 3.378 . 0 0 "[ . 1 . 2]" 1
705 1 54 ALA HA 1 58 PHE H . . 3.770 3.854 3.794 3.900 0.130 20 0 "[ . 1 . 2]" 1
706 1 55 THR H 1 55 THR HB . . 3.580 2.587 2.554 2.619 . 0 0 "[ . 1 . 2]" 1
707 1 55 THR H 1 55 THR MG . . 2.930 1.780 1.736 1.820 . 0 0 "[ . 1 . 2]" 1
708 1 55 THR H 1 56 GLU H . . 3.920 2.829 2.800 2.933 . 0 0 "[ . 1 . 2]" 1
709 1 55 THR H 1 57 ASN HB2 . . 5.570 5.596 5.349 5.730 0.160 8 0 "[ . 1 . 2]" 1
710 1 55 THR HA 1 55 THR MG . . 3.600 3.228 3.220 3.236 . 0 0 "[ . 1 . 2]" 1
711 1 55 THR HA 1 56 GLU H . . 3.610 3.548 3.490 3.621 0.011 6 0 "[ . 1 . 2]" 1
712 1 55 THR HA 1 56 GLU QG . . 5.770 4.745 4.679 4.969 . 0 0 "[ . 1 . 2]" 1
713 1 55 THR HA 1 57 ASN H . . 5.830 4.334 3.786 4.534 . 0 0 "[ . 1 . 2]" 1
714 1 55 THR HA 1 59 GLU H . . 3.800 3.261 2.729 3.462 . 0 0 "[ . 1 . 2]" 1
715 1 55 THR HB 1 56 GLU H . . 4.540 4.215 3.991 4.340 . 0 0 "[ . 1 . 2]" 1
716 1 55 THR MG 1 56 GLU H . . 2.710 2.321 1.885 2.551 . 0 0 "[ . 1 . 2]" 1
717 1 55 THR MG 1 56 GLU QG . . 3.830 3.106 2.990 3.467 . 0 0 "[ . 1 . 2]" 1
718 1 55 THR MG 1 57 ASN H . . 5.330 4.454 4.157 4.581 . 0 0 "[ . 1 . 2]" 1
719 1 55 THR MG 1 58 PHE HB3 . . 6.190 4.642 4.499 4.771 . 0 0 "[ . 1 . 2]" 1
720 1 55 THR MG 1 59 GLU HG3 . . 6.220 4.978 4.790 5.120 . 0 0 "[ . 1 . 2]" 1
721 1 56 GLU H 1 56 GLU HB2 . . 4.210 3.515 3.485 3.575 . 0 0 "[ . 1 . 2]" 1
722 1 56 GLU H 1 56 GLU HB3 . . 3.210 2.842 2.622 2.934 . 0 0 "[ . 1 . 2]" 1
723 1 56 GLU H 1 56 GLU QG . . 3.020 1.864 1.777 2.118 . 0 0 "[ . 1 . 2]" 1
724 1 56 GLU H 1 57 ASN H . . 2.800 2.617 2.386 2.887 0.087 6 0 "[ . 1 . 2]" 1
725 1 56 GLU H 1 58 PHE H . . 5.540 3.771 3.527 4.383 . 0 0 "[ . 1 . 2]" 1
726 1 56 GLU H 1 58 PHE HB3 . . 5.960 4.483 4.317 5.006 . 0 0 "[ . 1 . 2]" 1
727 1 56 GLU H 1 59 GLU H . . 4.440 4.464 4.392 4.600 0.160 6 0 "[ . 1 . 2]" 1
728 1 56 GLU H 1 60 ASP H . . 5.760 5.822 5.699 5.896 0.136 6 0 "[ . 1 . 2]" 1
729 1 56 GLU H 1 60 ASP QB . . 5.550 6.117 5.946 6.225 0.675 8 16 "[****.**+*1*- ******2]" 1
730 1 56 GLU HA 1 56 GLU HB2 . . 2.620 2.629 2.520 2.664 0.044 9 0 "[ . 1 . 2]" 1
731 1 56 GLU HA 1 57 ASN H . . 4.140 3.597 3.539 3.622 . 0 0 "[ . 1 . 2]" 1
732 1 56 GLU HA 1 59 GLU H . . 5.670 3.802 3.656 4.209 . 0 0 "[ . 1 . 2]" 1
733 1 56 GLU HA 1 59 GLU QB . . 4.950 3.972 3.540 4.204 . 0 0 "[ . 1 . 2]" 1
734 1 56 GLU HB2 1 57 ASN H . . 4.380 3.548 3.365 3.853 . 0 0 "[ . 1 . 2]" 1
735 1 56 GLU HB2 1 60 ASP H . . 5.980 5.675 5.498 5.980 0.000 5 0 "[ . 1 . 2]" 1
736 1 56 GLU HB3 1 57 ASN H . . 4.800 4.137 4.074 4.280 . 0 0 "[ . 1 . 2]" 1
737 1 56 GLU QG 1 57 ASN H . . 4.180 1.877 1.822 2.129 . 0 0 "[ . 1 . 2]" 1
738 1 56 GLU QG 1 58 PHE HA . . 5.830 6.409 6.329 6.595 0.765 20 19 "[*******-***** *****+]" 1
739 1 56 GLU QG 1 58 PHE HB3 . . 5.860 5.202 5.039 5.566 . 0 0 "[ . 1 . 2]" 1
740 1 56 GLU QG 1 59 GLU H . . 5.290 5.069 5.001 5.152 . 0 0 "[ . 1 . 2]" 1
741 1 57 ASN H 1 57 ASN HB3 . . 3.400 3.458 3.323 3.544 0.144 17 0 "[ . 1 . 2]" 1
742 1 57 ASN H 1 58 PHE H . . 3.300 2.282 2.139 2.385 . 0 0 "[ . 1 . 2]" 1
743 1 57 ASN H 1 58 PHE HA . . 5.170 4.877 4.755 4.973 . 0 0 "[ . 1 . 2]" 1
744 1 57 ASN H 1 59 GLU QB . . 5.420 5.541 4.678 5.778 0.358 1 0 "[ . 1 . 2]" 1
745 1 57 ASN HA 1 58 PHE HA . . 5.170 4.820 4.787 4.895 . 0 0 "[ . 1 . 2]" 1
746 1 57 ASN HA 1 60 ASP H . . 3.700 3.240 3.099 3.319 . 0 0 "[ . 1 . 2]" 1
747 1 57 ASN HA 1 60 ASP QB . . 4.270 2.294 2.019 2.453 . 0 0 "[ . 1 . 2]" 1
748 1 57 ASN HB2 2 1 HEM HBC2 . . 5.300 2.628 1.986 3.547 . 0 0 "[ . 1 . 2]" 1
749 1 58 PHE H 1 58 PHE HB2 . . 2.800 2.571 2.308 2.682 . 0 0 "[ . 1 . 2]" 1
750 1 58 PHE H 1 59 GLU H . . 3.100 2.624 2.531 2.839 . 0 0 "[ . 1 . 2]" 1
751 1 58 PHE HA 1 59 GLU H . . 3.700 3.600 3.598 3.602 . 0 0 "[ . 1 . 2]" 1
752 1 58 PHE HA 1 59 GLU HA . . 5.000 4.656 4.636 4.672 . 0 0 "[ . 1 . 2]" 1
753 1 58 PHE HA 1 60 ASP H . . 5.000 4.039 3.922 4.194 . 0 0 "[ . 1 . 2]" 1
754 1 58 PHE HA 2 1 HEM HAC . . 4.720 4.434 3.650 4.783 0.063 12 0 "[ . 1 . 2]" 1
755 1 58 PHE HB3 1 59 GLU H . . 4.330 2.621 2.546 2.668 . 0 0 "[ . 1 . 2]" 1
756 1 58 PHE HB3 1 60 ASP H . . 5.540 4.664 4.586 4.714 . 0 0 "[ . 1 . 2]" 1
757 1 58 PHE QD 1 59 GLU H . . 5.540 2.951 2.558 4.037 . 0 0 "[ . 1 . 2]" 1
758 1 58 PHE QD 1 63 HIS HB2 . . 5.510 3.952 3.653 4.424 . 0 0 "[ . 1 . 2]" 1
759 1 58 PHE HE2 1 67 VAL MG2 . . 5.520 3.989 3.016 5.004 . 0 0 "[ . 1 . 2]" 1
760 1 58 PHE HZ 1 67 VAL MG2 . . 5.060 3.561 2.188 4.504 . 0 0 "[ . 1 . 2]" 1
761 1 59 GLU H 1 59 GLU HA . . 3.000 2.844 2.833 2.857 . 0 0 "[ . 1 . 2]" 1
762 1 59 GLU H 1 59 GLU QB . . 3.260 2.387 2.055 2.518 . 0 0 "[ . 1 . 2]" 1
763 1 59 GLU H 1 60 ASP H . . 3.210 2.405 2.350 2.439 . 0 0 "[ . 1 . 2]" 1
764 1 59 GLU H 1 61 VAL H . . 4.480 4.597 4.497 4.683 0.203 14 0 "[ . 1 . 2]" 1
765 1 59 GLU HA 1 62 GLY H . . 4.400 3.136 2.940 3.275 . 0 0 "[ . 1 . 2]" 1
766 1 59 GLU HA 1 62 GLY HA2 . . 5.000 3.286 3.120 3.504 . 0 0 "[ . 1 . 2]" 1
767 1 59 GLU HA 1 62 GLY HA3 . . 5.500 4.927 4.769 5.139 . 0 0 "[ . 1 . 2]" 1
768 1 60 ASP H 1 60 ASP HA . . 2.830 2.748 2.698 2.797 . 0 0 "[ . 1 . 2]" 1
769 1 60 ASP H 1 60 ASP QB . . 2.710 2.127 2.043 2.185 . 0 0 "[ . 1 . 2]" 1
770 1 60 ASP H 1 61 VAL H . . 3.170 2.802 2.643 2.914 . 0 0 "[ . 1 . 2]" 1
771 1 60 ASP H 1 61 VAL HA . . 5.340 5.314 5.188 5.405 0.065 14 0 "[ . 1 . 2]" 1
772 1 60 ASP H 1 61 VAL HB . . 5.720 5.513 5.316 5.657 . 0 0 "[ . 1 . 2]" 1
773 1 60 ASP H 1 61 VAL MG1 . . 4.380 3.543 3.393 3.650 . 0 0 "[ . 1 . 2]" 1
774 1 60 ASP HA 1 60 ASP QB . . 2.570 2.289 2.236 2.363 . 0 0 "[ . 1 . 2]" 1
775 1 60 ASP HA 1 61 VAL H . . 3.900 3.650 3.643 3.654 . 0 0 "[ . 1 . 2]" 1
776 1 60 ASP HA 1 61 VAL MG1 . . 5.300 4.762 4.726 4.793 . 0 0 "[ . 1 . 2]" 1
777 1 60 ASP HA 1 62 GLY H . . 3.900 3.819 3.737 3.879 . 0 0 "[ . 1 . 2]" 1
778 1 60 ASP QB 1 61 VAL H . . 4.800 2.365 2.203 2.549 . 0 0 "[ . 1 . 2]" 1
779 1 60 ASP QB 1 61 VAL HB . . 5.500 4.356 4.193 4.555 . 0 0 "[ . 1 . 2]" 1
780 1 60 ASP QB 1 62 GLY H . . 5.300 4.230 4.142 4.335 . 0 0 "[ . 1 . 2]" 1
781 1 61 VAL H 1 61 VAL HB . . 3.620 2.760 2.717 2.819 . 0 0 "[ . 1 . 2]" 1
782 1 61 VAL H 1 61 VAL MG1 . . 2.490 1.799 1.768 1.830 . 0 0 "[ . 1 . 2]" 1
783 1 61 VAL H 1 62 GLY H . . 3.670 2.619 2.536 2.656 . 0 0 "[ . 1 . 2]" 1
784 1 61 VAL H 1 62 GLY HA3 . . 5.500 5.197 5.136 5.225 . 0 0 "[ . 1 . 2]" 1
785 1 61 VAL HA 1 61 VAL HB . . 2.680 2.299 2.284 2.312 . 0 0 "[ . 1 . 2]" 1
786 1 61 VAL HA 1 62 GLY H . . 3.990 3.469 3.453 3.493 . 0 0 "[ . 1 . 2]" 1
787 1 61 VAL HA 1 62 GLY HA2 . . 5.200 5.227 5.215 5.241 0.041 18 0 "[ . 1 . 2]" 1
788 1 61 VAL HA 1 63 HIS H . . 5.910 5.984 5.949 6.016 0.106 18 0 "[ . 1 . 2]" 1
789 1 61 VAL MG1 1 62 GLY H . . 4.270 2.508 2.404 2.564 . 0 0 "[ . 1 . 2]" 1
790 1 61 VAL MG1 1 63 HIS HA . . 5.530 4.183 4.065 4.301 . 0 0 "[ . 1 . 2]" 1
791 1 61 VAL MG1 1 63 HIS HB2 . . 5.760 4.428 4.346 4.542 . 0 0 "[ . 1 . 2]" 1
792 1 61 VAL MG1 2 1 HEM HBC2 . . 5.740 4.899 4.321 5.335 . 0 0 "[ . 1 . 2]" 1
793 1 62 GLY H 1 62 GLY HA2 . . 2.600 2.252 2.249 2.258 . 0 0 "[ . 1 . 2]" 1
794 1 62 GLY H 1 63 HIS HA . . 4.900 4.991 4.928 5.025 0.125 19 0 "[ . 1 . 2]" 1
795 1 62 GLY H 1 63 HIS HB2 . . 5.560 5.144 5.008 5.231 . 0 0 "[ . 1 . 2]" 1
796 1 62 GLY HA2 1 63 HIS H . . 4.000 2.436 2.418 2.460 . 0 0 "[ . 1 . 2]" 1
797 1 62 GLY HA2 1 63 HIS HA . . 5.000 4.522 4.509 4.538 . 0 0 "[ . 1 . 2]" 1
798 1 62 GLY HA2 1 63 HIS HB2 . . 5.700 4.628 4.565 4.661 . 0 0 "[ . 1 . 2]" 1
799 1 62 GLY HA3 1 63 HIS H . . 3.600 3.608 3.601 3.616 0.016 4 0 "[ . 1 . 2]" 1
800 1 63 HIS H 1 63 HIS HB2 . . 3.590 2.259 2.225 2.296 . 0 0 "[ . 1 . 2]" 1
801 1 63 HIS H 1 63 HIS HE1 . . 4.910 4.964 4.793 5.043 0.133 14 0 "[ . 1 . 2]" 1
802 1 63 HIS HA 1 64 SER H . . 3.020 2.260 2.231 2.267 . 0 0 "[ . 1 . 2]" 1
803 1 63 HIS HA 1 67 VAL MG2 . . 5.550 3.765 3.613 4.437 . 0 0 "[ . 1 . 2]" 1
804 1 63 HIS HB2 1 64 SER H . . 4.270 4.233 4.191 4.304 0.034 8 0 "[ . 1 . 2]" 1
805 1 63 HIS HE1 2 1 HEM HAC . . 5.260 4.700 3.995 5.241 . 0 0 "[ . 1 . 2]" 1
806 1 63 HIS NE2 2 1 HEM FE . . 2.000 1.867 1.833 1.916 . 0 0 "[ . 1 . 2]" 1
807 1 64 SER H 1 65 THR H . . 4.700 4.652 4.613 4.673 . 0 0 "[ . 1 . 2]" 1
808 1 64 SER H 1 67 VAL HA . . 5.590 5.499 5.118 5.654 0.064 16 0 "[ . 1 . 2]" 1
809 1 64 SER H 2 1 HEM O2A . . 2.900 2.244 1.909 2.566 . 0 0 "[ . 1 . 2]" 1
810 1 64 SER HA 1 65 THR H . . 2.500 2.484 2.297 2.579 0.079 18 0 "[ . 1 . 2]" 1
811 1 64 SER HA 1 66 ASP H . . 4.200 3.973 3.726 4.217 0.017 18 0 "[ . 1 . 2]" 1
812 1 64 SER HA 1 67 VAL H . . 4.700 4.769 4.561 4.893 0.193 15 0 "[ . 1 . 2]" 1
813 1 64 SER HB2 1 65 THR H . . 5.000 3.843 2.565 4.405 . 0 0 "[ . 1 . 2]" 1
814 1 66 ASP H 1 67 VAL H . . 2.600 2.483 2.355 2.618 0.018 2 0 "[ . 1 . 2]" 1
815 1 66 ASP HA 1 67 VAL H . . 3.500 3.298 3.104 3.478 . 0 0 "[ . 1 . 2]" 1
816 1 66 ASP HA 1 67 VAL HA . . 4.740 4.751 4.679 4.823 0.083 8 0 "[ . 1 . 2]" 1
817 1 66 ASP HA 1 68 ARG H . . 4.500 3.814 3.125 4.175 . 0 0 "[ . 1 . 2]" 1
818 1 67 VAL H 1 67 VAL MG2 . . 4.800 3.479 3.218 3.725 . 0 0 "[ . 1 . 2]" 1
819 1 67 VAL H 1 68 ARG H . . 3.890 2.404 2.220 2.538 . 0 0 "[ . 1 . 2]" 1
820 1 67 VAL H 1 68 ARG HA . . 5.330 4.909 4.736 5.037 . 0 0 "[ . 1 . 2]" 1
821 1 67 VAL HA 1 69 GLU H . . 4.140 3.876 3.240 4.163 0.023 8 0 "[ . 1 . 2]" 1
822 1 67 VAL HA 1 70 LEU HB2 . . 5.400 2.483 1.948 3.866 . 0 0 "[ . 1 . 2]" 1
823 1 67 VAL MG1 1 70 LEU HB2 . . 4.280 3.993 3.821 4.075 . 0 0 "[ . 1 . 2]" 1
824 1 67 VAL MG1 2 1 HEM HAB . . 5.370 4.503 3.467 5.150 . 0 0 "[ . 1 . 2]" 1
825 1 67 VAL MG2 1 68 ARG H . . 4.960 4.281 4.004 4.417 . 0 0 "[ . 1 . 2]" 1
826 1 67 VAL MG2 1 70 LEU H . . 5.000 4.334 3.570 4.682 . 0 0 "[ . 1 . 2]" 1
827 1 67 VAL MG2 1 70 LEU HB2 . . 3.740 3.075 2.001 3.595 . 0 0 "[ . 1 . 2]" 1
828 1 68 ARG H 1 68 ARG HB2 . . 3.700 2.654 2.322 3.550 . 0 0 "[ . 1 . 2]" 1
829 1 68 ARG H 1 69 GLU H . . 3.300 2.689 2.487 2.987 . 0 0 "[ . 1 . 2]" 1
830 1 68 ARG H 1 70 LEU HB2 . . 5.130 4.842 4.459 5.235 0.105 4 0 "[ . 1 . 2]" 1
831 1 68 ARG H 1 70 LEU HG . . 7.000 6.770 6.321 7.038 0.038 14 0 "[ . 1 . 2]" 1
832 1 68 ARG HA 1 68 ARG HB2 . . 2.500 2.500 2.433 2.561 0.061 6 0 "[ . 1 . 2]" 1
833 1 68 ARG HA 1 69 GLU H . . 3.700 3.551 3.424 3.608 . 0 0 "[ . 1 . 2]" 1
834 1 68 ARG HA 1 69 GLU HB3 . . 5.620 5.691 5.626 5.775 0.155 1 0 "[ . 1 . 2]" 1
835 1 68 ARG HA 1 69 GLU HG2 . . 5.350 5.427 5.334 5.506 0.156 14 0 "[ . 1 . 2]" 1
836 1 68 ARG HA 1 70 LEU HB2 . . 5.500 4.857 4.256 5.355 . 0 0 "[ . 1 . 2]" 1
837 1 68 ARG HA 1 71 SER H . . 4.870 3.997 2.940 4.787 . 0 0 "[ . 1 . 2]" 1
838 1 69 GLU H 1 69 GLU HA . . 3.100 2.835 2.661 2.902 . 0 0 "[ . 1 . 2]" 1
839 1 69 GLU H 1 69 GLU HG2 . . 4.800 2.214 1.894 2.908 . 0 0 "[ . 1 . 2]" 1
840 1 69 GLU H 1 70 LEU H . . 3.300 2.534 2.097 2.885 . 0 0 "[ . 1 . 2]" 1
841 1 69 GLU HA 1 69 GLU HG2 . . 3.670 3.656 3.582 3.736 0.066 17 0 "[ . 1 . 2]" 1
842 1 69 GLU HA 1 70 LEU H . . 3.480 3.387 2.970 3.572 0.092 4 0 "[ . 1 . 2]" 1
843 1 69 GLU HA 1 70 LEU HA . . 5.000 4.744 4.562 4.905 . 0 0 "[ . 1 . 2]" 1
844 1 69 GLU HA 1 70 LEU HB2 . . 5.520 5.400 5.078 5.596 0.076 8 0 "[ . 1 . 2]" 1
845 1 69 GLU HA 1 71 SER H . . 5.750 4.827 4.508 5.288 . 0 0 "[ . 1 . 2]" 1
846 1 70 LEU H 1 70 LEU HA . . 3.000 2.833 2.724 2.920 . 0 0 "[ . 1 . 2]" 1
847 1 70 LEU H 1 70 LEU HB2 . . 3.000 2.097 1.978 2.427 . 0 0 "[ . 1 . 2]" 1
848 1 70 LEU H 1 70 LEU HG . . 4.660 4.201 3.441 4.673 0.013 3 0 "[ . 1 . 2]" 1
849 1 70 LEU HA 1 70 LEU HB2 . . 2.900 2.853 2.646 2.970 0.070 8 0 "[ . 1 . 2]" 1
850 1 70 LEU HA 1 71 SER H . . 3.670 3.634 3.595 3.640 . 0 0 "[ . 1 . 2]" 1
851 1 70 LEU HA 1 71 SER HA . . 5.000 4.612 4.542 4.838 . 0 0 "[ . 1 . 2]" 1
852 1 70 LEU HB2 1 71 SER H . . 4.330 2.949 2.609 3.485 . 0 0 "[ . 1 . 2]" 1
853 1 70 LEU HB3 1 71 SER H . . 3.630 2.578 2.052 3.318 . 0 0 "[ . 1 . 2]" 1
854 1 70 LEU MD1 1 74 TYR HD2 . . 5.000 4.207 3.485 4.669 . 0 0 "[ . 1 . 2]" 1
855 1 70 LEU MD1 1 74 TYR HE2 . . 5.000 3.151 1.925 3.658 . 0 0 "[ . 1 . 2]" 1
856 1 70 LEU HG 1 71 SER H . . 5.340 4.806 4.451 5.171 . 0 0 "[ . 1 . 2]" 1
857 1 71 SER H 1 71 SER HB3 . . 3.500 2.948 2.138 3.584 0.084 12 0 "[ . 1 . 2]" 1
858 1 71 SER H 1 72 LYS HA . . 5.420 5.115 4.794 5.412 . 0 0 "[ . 1 . 2]" 1
859 1 71 SER H 1 72 LYS QB . . 5.380 4.982 4.334 5.181 . 0 0 "[ . 1 . 2]" 1
860 1 71 SER H 1 74 TYR HE2 . . 5.600 5.590 5.391 5.651 0.051 9 0 "[ . 1 . 2]" 1
861 1 71 SER HA 1 72 LYS HA . . 5.080 4.523 4.392 4.979 . 0 0 "[ . 1 . 2]" 1
862 1 71 SER HA 1 73 THR H . . 4.980 3.989 3.584 4.581 . 0 0 "[ . 1 . 2]" 1
863 1 71 SER HA 1 74 TYR H . . 5.000 3.260 2.465 3.823 . 0 0 "[ . 1 . 2]" 1
864 1 71 SER HA 1 75 ILE H . . 5.500 4.593 3.803 5.510 0.010 3 0 "[ . 1 . 2]" 1
865 1 72 LYS H 1 72 LYS HA . . 3.000 2.885 2.672 2.940 . 0 0 "[ . 1 . 2]" 1
866 1 72 LYS H 1 72 LYS QB . . 3.440 2.260 2.039 2.626 . 0 0 "[ . 1 . 2]" 1
867 1 72 LYS H 1 73 THR H . . 3.000 2.358 1.823 2.949 . 0 0 "[ . 1 . 2]" 1
868 1 72 LYS HA 1 72 LYS HD2 . . 4.450 3.744 2.007 4.461 0.011 17 0 "[ . 1 . 2]" 1
869 1 72 LYS HA 1 75 ILE HB . . 4.670 4.012 3.185 4.758 0.088 10 0 "[ . 1 . 2]" 1
870 1 72 LYS QB 1 73 THR HB . . 4.990 4.100 3.379 4.449 . 0 0 "[ . 1 . 2]" 1
871 1 72 LYS QB 1 74 TYR H . . 4.990 4.383 3.984 4.654 . 0 0 "[ . 1 . 2]" 1
872 1 72 LYS QB 1 75 ILE HB . . 5.380 5.563 4.906 6.591 1.211 3 4 "[ +-.* * . 2]" 1
873 1 73 THR H 1 73 THR HA . . 2.830 2.902 2.852 2.944 0.114 4 0 "[ . 1 . 2]" 1
874 1 73 THR H 1 73 THR HB . . 3.000 2.241 2.135 2.345 . 0 0 "[ . 1 . 2]" 1
875 1 73 THR H 1 74 TYR H . . 5.000 2.296 2.018 2.561 . 0 0 "[ . 1 . 2]" 1
876 1 73 THR H 1 74 TYR HD2 . . 5.100 4.886 4.249 5.129 0.029 13 0 "[ . 1 . 2]" 1
877 1 73 THR H 1 75 ILE H . . 5.000 4.242 3.932 5.029 0.029 8 0 "[ . 1 . 2]" 1
878 1 73 THR HA 1 74 TYR H . . 5.000 3.519 3.382 3.607 . 0 0 "[ . 1 . 2]" 1
879 1 73 THR HA 1 75 ILE H . . 5.000 3.902 3.224 4.393 . 0 0 "[ . 1 . 2]" 1
880 1 73 THR HB 1 74 TYR H . . 3.680 3.149 2.718 3.788 0.108 5 0 "[ . 1 . 2]" 1
881 1 74 TYR H 1 74 TYR HD2 . . 5.010 3.564 3.142 3.869 . 0 0 "[ . 1 . 2]" 1
882 1 74 TYR H 1 74 TYR HE1 . . 5.000 4.850 4.566 5.058 0.058 4 0 "[ . 1 . 2]" 1
883 1 74 TYR H 1 75 ILE H . . 5.000 2.860 2.335 3.692 . 0 0 "[ . 1 . 2]" 1
884 1 74 TYR HA 1 75 ILE MG . . 6.840 5.647 4.624 5.842 . 0 0 "[ . 1 . 2]" 1
885 1 75 ILE H 1 75 ILE MG . . 4.580 3.465 2.383 3.632 . 0 0 "[ . 1 . 2]" 1
886 1 75 ILE H 1 76 ILE H . . 4.800 4.595 4.405 4.665 . 0 0 "[ . 1 . 2]" 1
887 1 75 ILE HA 1 75 ILE MG . . 3.020 2.653 2.206 2.826 . 0 0 "[ . 1 . 2]" 1
888 1 75 ILE HA 1 76 ILE HG12 . . 5.480 5.175 5.096 5.249 . 0 0 "[ . 1 . 2]" 1
889 1 75 ILE HA 1 76 ILE HG13 . . 5.610 6.005 5.907 6.091 0.481 3 0 "[ . 1 . 2]" 1
890 1 75 ILE HA 1 76 ILE MG . . 4.380 3.043 2.944 3.107 . 0 0 "[ . 1 . 2]" 1
891 1 75 ILE HA 1 77 GLY H . . 5.570 4.128 4.040 4.248 . 0 0 "[ . 1 . 2]" 1
892 1 75 ILE MD 1 77 GLY H . . 5.000 3.307 2.805 4.373 . 0 0 "[ . 1 . 2]" 1
893 1 75 ILE MD 1 77 GLY HA2 . . 5.500 4.104 3.892 4.292 . 0 0 "[ . 1 . 2]" 1
894 1 75 ILE MD 1 77 GLY HA3 . . 5.000 5.196 4.940 5.261 0.261 4 0 "[ . 1 . 2]" 1
895 1 75 ILE MG 1 76 ILE MG . . 5.620 3.823 3.645 4.290 . 0 0 "[ . 1 . 2]" 1
896 1 75 ILE MG 1 77 GLY H . . 4.510 2.809 2.420 4.276 . 0 0 "[ . 1 . 2]" 1
897 1 76 ILE H 1 76 ILE MD . . 5.500 4.248 4.169 4.343 . 0 0 "[ . 1 . 2]" 1
898 1 76 ILE H 1 76 ILE HG12 . . 5.000 3.030 2.939 3.126 . 0 0 "[ . 1 . 2]" 1
899 1 76 ILE H 1 76 ILE HG13 . . 4.600 3.754 3.662 3.856 . 0 0 "[ . 1 . 2]" 1
900 1 76 ILE H 1 77 GLY H . . 3.230 2.057 1.884 2.211 . 0 0 "[ . 1 . 2]" 1
901 1 76 ILE HA 1 79 LEU H . . 5.640 8.756 8.672 8.817 3.177 13 20 [**-*********+*******] 1
902 1 76 ILE HB 1 76 ILE MD . . 2.860 2.194 2.155 2.264 . 0 0 "[ . 1 . 2]" 1
903 1 76 ILE MD 1 77 GLY H . . 4.950 4.004 3.875 4.099 . 0 0 "[ . 1 . 2]" 1
904 1 76 ILE QG 1 77 GLY H . . 3.930 2.253 2.127 2.352 . 0 0 "[ . 1 . 2]" 1
905 1 76 ILE QG 1 79 LEU H . . 5.430 4.788 4.729 4.830 . 0 0 "[ . 1 . 2]" 1
906 1 76 ILE HG12 1 76 ILE MG . . 3.280 2.293 2.258 2.333 . 0 0 "[ . 1 . 2]" 1
907 1 76 ILE HG12 1 77 GLY H . . 4.140 2.372 2.244 2.464 . 0 0 "[ . 1 . 2]" 1
908 1 76 ILE HG12 1 79 LEU H . . 5.020 5.128 5.040 5.175 0.155 9 0 "[ . 1 . 2]" 1
909 1 76 ILE HG13 1 77 GLY H . . 4.140 2.814 2.559 3.024 . 0 0 "[ . 1 . 2]" 1
910 1 76 ILE HG13 1 79 LEU H . . 5.620 5.738 5.664 5.815 0.195 13 0 "[ . 1 . 2]" 1
911 1 76 ILE MG 1 77 GLY H . . 3.200 3.093 3.044 3.150 . 0 0 "[ . 1 . 2]" 1
912 1 77 GLY H 1 78 GLU H . . 4.070 3.948 3.844 4.082 0.012 5 0 "[ . 1 . 2]" 1
913 1 77 GLY H 1 79 LEU H . . 4.900 5.900 5.754 6.022 1.122 7 20 [******+***-*********] 1
914 1 77 GLY HA2 1 78 GLU H . . 5.000 3.388 3.331 3.420 . 0 0 "[ . 1 . 2]" 1
915 1 77 GLY HA3 1 78 GLU H . . 3.600 2.209 2.200 2.219 . 0 0 "[ . 1 . 2]" 1
916 1 78 GLU H 1 78 GLU HG2 . . 5.440 2.496 2.267 2.701 . 0 0 "[ . 1 . 2]" 1
917 1 78 GLU H 1 78 GLU HG3 . . 5.440 3.343 2.866 3.827 . 0 0 "[ . 1 . 2]" 1
918 1 78 GLU H 1 79 LEU QD . . 5.700 5.031 4.945 5.158 . 0 0 "[ . 1 . 2]" 1
919 1 78 GLU HA 1 79 LEU HA . . 5.110 4.365 4.354 4.369 . 0 0 "[ . 1 . 2]" 1
920 1 78 GLU HA 1 79 LEU QD . . 4.650 3.464 3.249 3.627 . 0 0 "[ . 1 . 2]" 1
921 1 79 LEU H 1 79 LEU QD . . 4.870 2.031 1.894 2.109 . 0 0 "[ . 1 . 2]" 1
922 1 79 LEU H 1 79 LEU HG . . 4.880 3.717 3.597 3.935 . 0 0 "[ . 1 . 2]" 1
923 1 79 LEU QB 1 80 HIS H . . 4.550 2.817 2.672 3.422 . 0 0 "[ . 1 . 2]" 1
924 1 79 LEU QD 1 80 HIS H . . 5.190 2.138 1.639 2.323 . 0 0 "[ . 1 . 2]" 1
925 1 79 LEU QD 1 84 ARG H . . 4.800 2.458 2.124 2.900 . 0 0 "[ . 1 . 2]" 1
926 1 79 LEU QD 1 84 ARG HA . . 2.850 2.506 2.230 2.780 . 0 0 "[ . 1 . 2]" 1
927 1 79 LEU HG 1 80 HIS H . . 5.070 4.555 3.785 4.665 . 0 0 "[ . 1 . 2]" 1
928 1 79 LEU HG 1 83 ASP HA . . 6.690 6.704 6.334 6.853 0.163 17 0 "[ . 1 . 2]" 1
929 1 79 LEU HG 1 83 ASP HB2 . . 4.990 4.497 4.153 4.664 . 0 0 "[ . 1 . 2]" 1
930 1 79 LEU HG 1 84 ARG H . . 4.960 4.979 4.543 5.367 0.407 3 0 "[ . 1 . 2]" 1
931 1 79 LEU HG 1 84 ARG HA . . 3.960 3.955 3.717 4.250 0.290 2 0 "[ . 1 . 2]" 1
932 1 80 HIS H 1 80 HIS HB3 . . 3.710 3.004 2.881 3.489 . 0 0 "[ . 1 . 2]" 1
933 1 80 HIS H 1 80 HIS HD2 . . 5.500 4.331 4.159 5.349 . 0 0 "[ . 1 . 2]" 1
934 1 80 HIS H 1 81 PRO HA . . 5.720 5.678 4.478 5.761 0.041 4 0 "[ . 1 . 2]" 1
935 1 80 HIS H 1 81 PRO HD2 . . 4.990 4.955 4.888 4.973 . 0 0 "[ . 1 . 2]" 1
936 1 80 HIS H 1 81 PRO QD . . 4.730 4.178 3.989 4.226 . 0 0 "[ . 1 . 2]" 1
937 1 80 HIS H 1 81 PRO HD3 . . 4.800 4.502 4.229 4.573 . 0 0 "[ . 1 . 2]" 1
938 1 80 HIS HA 1 80 HIS HD2 . . 5.000 2.906 2.608 3.081 . 0 0 "[ . 1 . 2]" 1
939 1 80 HIS HA 1 81 PRO HB2 . . 5.500 5.504 5.478 5.527 0.027 18 0 "[ . 1 . 2]" 1
940 1 80 HIS HA 1 83 ASP H . . 4.860 4.483 4.306 4.832 . 0 0 "[ . 1 . 2]" 1
941 1 80 HIS HB2 1 80 HIS HD2 . . 3.980 2.989 2.915 3.131 . 0 0 "[ . 1 . 2]" 1
942 1 80 HIS HB3 1 80 HIS HD2 . . 3.980 3.984 3.964 4.002 0.022 9 0 "[ . 1 . 2]" 1
943 1 80 HIS HB3 1 81 PRO HA . . 5.470 4.956 4.922 4.994 . 0 0 "[ . 1 . 2]" 1
944 1 80 HIS HB3 1 83 ASP HA . . 5.990 4.384 4.126 4.589 . 0 0 "[ . 1 . 2]" 1
945 1 80 HIS HB3 1 83 ASP HB2 . . 5.080 2.109 1.909 2.310 . 0 0 "[ . 1 . 2]" 1
946 1 80 HIS HB3 1 84 ARG H . . 5.400 3.801 3.284 3.984 . 0 0 "[ . 1 . 2]" 1
947 1 80 HIS HD2 1 81 PRO HD2 . . 5.000 3.311 2.745 3.507 . 0 0 "[ . 1 . 2]" 1
948 1 80 HIS HD2 1 81 PRO HG2 . . 5.500 5.354 4.731 5.548 0.048 18 0 "[ . 1 . 2]" 1
949 1 80 HIS HE1 1 81 PRO HD2 . . 5.000 3.634 3.307 3.960 . 0 0 "[ . 1 . 2]" 1
950 1 80 HIS HE1 1 82 ASP HA . . 5.100 5.020 4.770 5.197 0.097 3 0 "[ . 1 . 2]" 1
951 1 80 HIS HE1 1 82 ASP HB2 . . 5.000 2.271 2.040 2.607 . 0 0 "[ . 1 . 2]" 1
952 1 81 PRO HA 1 84 ARG HD2 . . 4.020 3.016 2.147 3.341 . 0 0 "[ . 1 . 2]" 1
953 1 81 PRO HB2 1 84 ARG H . . 5.900 5.274 5.042 5.539 . 0 0 "[ . 1 . 2]" 1
954 1 81 PRO HB2 1 84 ARG HD2 . . 4.150 4.198 3.992 4.313 0.163 18 0 "[ . 1 . 2]" 1
955 1 81 PRO HD2 1 82 ASP H . . 5.590 2.294 2.254 2.363 . 0 0 "[ . 1 . 2]" 1
956 1 81 PRO HD2 1 82 ASP HB2 . . 5.610 3.541 3.488 3.656 . 0 0 "[ . 1 . 2]" 1
957 1 81 PRO HD2 1 83 ASP H . . 5.140 4.154 3.927 4.349 . 0 0 "[ . 1 . 2]" 1
958 1 81 PRO HD2 1 84 ARG H . . 5.690 5.257 4.957 5.546 . 0 0 "[ . 1 . 2]" 1
959 1 81 PRO HG2 1 82 ASP H . . 5.350 3.117 2.840 3.332 . 0 0 "[ . 1 . 2]" 1
960 1 82 ASP H 1 83 ASP H . . 3.240 2.469 2.343 2.667 . 0 0 "[ . 1 . 2]" 1
961 1 82 ASP H 1 83 ASP HB2 . . 4.800 4.424 4.148 4.666 . 0 0 "[ . 1 . 2]" 1
962 1 82 ASP H 1 84 ARG HD2 . . 5.380 5.381 5.106 5.472 0.092 3 0 "[ . 1 . 2]" 1
963 1 82 ASP H 1 85 SER H . . 5.270 4.863 4.633 5.423 0.153 3 0 "[ . 1 . 2]" 1
964 1 82 ASP HA 1 83 ASP HB2 . . 5.790 5.738 5.572 5.864 0.074 17 0 "[ . 1 . 2]" 1
965 1 82 ASP QB 1 83 ASP H . . 3.840 2.635 2.110 3.095 . 0 0 "[ . 1 . 2]" 1
966 1 82 ASP HB2 1 83 ASP H . . 4.240 3.370 3.005 3.736 . 0 0 "[ . 1 . 2]" 1
967 1 82 ASP HB2 1 83 ASP HB2 . . 5.540 5.427 5.211 5.586 0.046 8 0 "[ . 1 . 2]" 1
968 1 82 ASP HB3 1 83 ASP H . . 3.240 2.778 2.148 3.318 0.078 16 0 "[ . 1 . 2]" 1
969 1 83 ASP H 1 83 ASP HB2 . . 2.880 2.233 2.087 2.378 . 0 0 "[ . 1 . 2]" 1
970 1 83 ASP H 1 83 ASP HB3 . . 3.640 3.486 3.353 3.565 . 0 0 "[ . 1 . 2]" 1
971 1 83 ASP H 1 84 ARG H . . 3.080 2.436 2.268 2.650 . 0 0 "[ . 1 . 2]" 1
972 1 83 ASP H 1 85 SER H . . 5.010 4.074 3.586 4.534 . 0 0 "[ . 1 . 2]" 1
973 1 83 ASP HA 1 84 ARG H . . 5.000 3.549 3.412 3.626 . 0 0 "[ . 1 . 2]" 1
974 1 83 ASP HA 1 87 ILE H . . 5.500 4.584 4.293 4.921 . 0 0 "[ . 1 . 2]" 1
975 1 83 ASP QB 1 85 SER H . . 5.210 4.648 4.325 4.745 . 0 0 "[ . 1 . 2]" 1
976 1 83 ASP QB 1 86 LYS H . . 5.250 4.300 3.951 4.421 . 0 0 "[ . 1 . 2]" 1
977 1 83 ASP HB2 1 86 LYS H . . 5.070 5.155 4.980 5.263 0.193 2 0 "[ . 1 . 2]" 1
978 1 83 ASP HB3 1 86 LYS H . . 5.070 4.608 4.145 4.791 . 0 0 "[ . 1 . 2]" 1
979 1 84 ARG H 1 84 ARG HD2 . . 5.570 3.826 3.501 4.287 . 0 0 "[ . 1 . 2]" 1
980 1 84 ARG H 1 84 ARG HG2 . . 5.000 4.160 3.068 4.527 . 0 0 "[ . 1 . 2]" 1
981 1 84 ARG H 1 85 SER HB2 . . 5.800 4.902 4.471 5.404 . 0 0 "[ . 1 . 2]" 1
982 1 84 ARG H 1 86 LYS H . . 3.760 3.773 3.663 3.882 0.122 10 0 "[ . 1 . 2]" 1
983 1 84 ARG H 1 86 LYS HA . . 5.560 6.586 6.340 6.747 1.187 2 20 [*+*********-********] 1
984 1 84 ARG H 1 86 LYS HB2 . . 5.550 4.777 4.401 5.008 . 0 0 "[ . 1 . 2]" 1
985 1 84 ARG HA 1 84 ARG HB2 . . 2.400 2.375 2.304 2.738 0.338 3 0 "[ . 1 . 2]" 1
986 1 84 ARG HA 1 85 SER H . . 5.000 3.568 3.507 3.597 . 0 0 "[ . 1 . 2]" 1
987 1 84 ARG HA 1 85 SER HA . . 4.700 4.654 4.601 4.727 0.027 19 0 "[ . 1 . 2]" 1
988 1 84 ARG HA 1 87 ILE H . . 4.000 3.613 3.180 4.015 0.015 3 0 "[ . 1 . 2]" 1
989 1 84 ARG HA 1 88 ALA H . . 5.700 5.621 5.331 5.744 0.044 9 0 "[ . 1 . 2]" 1
990 1 85 SER HA 1 88 ALA H . . 5.000 3.634 2.963 4.130 . 0 0 "[ . 1 . 2]" 1
991 1 85 SER HB2 1 86 LYS H . . 5.000 4.137 3.508 4.528 . 0 0 "[ . 1 . 2]" 1
992 1 86 LYS H 1 86 LYS HB2 . . 3.590 2.238 2.074 2.418 . 0 0 "[ . 1 . 2]" 1
993 1 86 LYS H 1 87 ILE H . . 3.900 2.324 2.151 2.536 . 0 0 "[ . 1 . 2]" 1
994 1 86 LYS H 1 87 ILE HB . . 5.000 4.255 4.024 4.495 . 0 0 "[ . 1 . 2]" 1
995 1 86 LYS HA 1 87 ILE H . . 5.000 3.536 3.432 3.606 . 0 0 "[ . 1 . 2]" 1
996 1 86 LYS HA 1 87 ILE HB . . 5.600 5.620 5.495 5.692 0.092 3 0 "[ . 1 . 2]" 1
997 1 86 LYS HB2 1 88 ALA H . . 4.820 4.894 4.785 5.105 0.285 2 0 "[ . 1 . 2]" 1
998 1 87 ILE H 1 87 ILE MD . . 5.000 3.643 3.352 3.947 . 0 0 "[ . 1 . 2]" 1
999 1 87 ILE H 1 88 ALA HA . . 5.000 4.934 4.768 5.036 0.036 6 0 "[ . 1 . 2]" 1
1000 1 87 ILE HB 1 87 ILE MG . . 2.400 2.131 2.130 2.132 . 0 0 "[ . 1 . 2]" 1
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