NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483493 |
1ygw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ygw
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 1353
_Distance_constraint_stats_list.Viol_count 16828
_Distance_constraint_stats_list.Viol_total 201687.672
_Distance_constraint_stats_list.Viol_max 2.357
_Distance_constraint_stats_list.Viol_rms 0.2581
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1290
_Distance_constraint_stats_list.Viol_average_violations_only 0.3525
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 2 CYS 31.455 0.713 33 17 "[ * . ** * *. -***** ***** 3 + ]"
1 3 ASP 29.751 0.359 32 0 "[ . 1 . 2 . 3 ]"
1 4 TYR 107.238 1.068 21 19 "[ - * **** *. ****+* ***** 3 * ]"
1 5 THR 75.899 0.955 24 33 "[**-************* ******+**********]"
1 6 CYS 146.057 1.331 19 34 [*****-************+***************]
1 7 GLY 22.794 0.658 26 17 "[ * . ** * *. ***** **+**-3 * ]"
1 8 SER 37.203 0.865 5 34 [****+***************************-*]
1 9 ASN 60.925 0.832 9 33 "[********+******* ***********-*****]"
1 10 CYS 45.674 0.579 9 17 "[** .-**+1 **** 2 * .* **** *]"
1 11 TYR 186.934 1.007 33 34 [**-*****************************+*]
1 12 SER 32.248 0.459 4 0 "[ . 1 . 2 . 3 ]"
1 13 SER 67.230 0.628 33 18 "[- * . ** * *. ****** ***** 3 + ]"
1 14 SER 40.962 0.628 33 17 "[ * . -* * *. ****** ***** 3 + ]"
1 15 ASP 107.804 1.007 33 34 [**-*****************************+*]
1 16 VAL 224.872 1.119 34 34 [**************-******************+]
1 17 SER 65.071 1.118 7 21 "[ **.*+*** *- ****** ***** 3 * ]"
1 18 THR 92.421 0.634 34 32 "[*********-*** ** ****************+]"
1 19 ALA 229.474 1.360 16 34 [*********-*****+******************]
1 20 GLN 162.393 0.902 27 34 [*************-************+*******]
1 21 ALA 79.399 0.989 11 34 [**********+************-**********]
1 22 ALA 259.024 2.067 34 34 [*****************-***************+]
1 23 GLY 66.674 1.310 23 34 [************-*********+***********]
1 24 TYR 86.333 0.896 23 34 [****-*****************+***********]
1 25 LYS 162.048 1.060 23 34 [**********************+********-**]
1 26 LEU 65.619 0.868 34 31 "[**-*** *********** ****** *******+]"
1 27 HIS 111.370 0.780 23 31 "[******-***************+**** *3*** ]"
1 28 GLU 118.366 1.060 23 34 [**********-***********+***********]
1 29 ASP 83.428 0.910 33 34 [*******************************-+*]
1 30 GLY 22.581 0.323 23 0 "[ . 1 . 2 . 3 ]"
1 31 GLU 74.393 0.910 33 34 [**************************-*****+*]
1 32 THR 54.141 0.863 23 19 "[ ****** ** ** -*2 *+ **** 3 *]"
1 33 VAL 153.153 1.696 28 34 [**************************-+******]
1 34 GLY 25.519 0.592 32 4 "[ *. 1 * 2 . * 3 + ]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 36 ASN 26.768 0.837 27 13 "[ . * 1 .*- 2****. +*** **]"
1 37 SER 78.187 0.807 27 13 "[ . * 1 **- 2****. + ** **]"
1 38 TYR 151.988 1.748 24 34 [***********************+****-*****]
1 39 PRO 67.550 0.660 24 34 [***********-***********+**********]
1 40 HIS 88.277 1.432 21 34 [******-*************+*************]
1 41 LYS 65.100 1.432 21 34 [********************+***********-*]
1 42 TYR 167.132 1.502 21 34 [********************+***********-*]
1 43 ASN 55.654 1.231 28 34 [***************************+*-****]
1 44 ASN 45.838 0.417 25 0 "[ . 1 . 2 . 3 ]"
1 45 TYR 50.443 0.639 17 32 "[*-**************+* ************ **]"
1 46 GLU 71.648 0.639 17 32 "[*-**************+* ************ **]"
1 47 GLY 32.641 0.483 1 0 "[ . 1 . 2 . 3 ]"
1 48 PHE 203.422 1.228 27 34 [****-*********************+*******]
1 49 ASP 44.646 0.488 26 0 "[ . 1 . 2 . 3 ]"
1 50 PHE 192.007 1.414 8 34 [****-**+**************************]
1 51 SER 36.128 0.572 17 9 "[ - **1****.*+ 2 . 3 ]"
1 52 VAL 95.646 1.623 19 34 [*****************-+***************]
1 53 SER 30.285 0.675 31 19 "[****** -**** **** ** .* 3+ ]"
1 54 SER 20.054 0.675 31 8 "[ *.- * 1** .** 2 . 3+ ]"
1 55 PRO 43.546 1.354 26 34 [*************************+******-*]
1 56 TYR 156.694 1.113 21 34 [-*******************+*************]
1 57 TYR 111.358 0.799 25 34 [*******-****************+*********]
1 58 GLU 163.905 1.868 23 34 [**********************+**********-]
1 59 TRP 385.851 1.696 28 34 [*************-*************+******]
1 60 PRO 67.599 0.940 24 21 "[* *.* **1*** * * 2-**+**** 3** *]"
1 61 ILE 139.389 1.571 11 34 [**********+********-**************]
1 62 LEU 134.281 1.131 8 34 [***-***+**************************]
1 63 SER 28.694 0.600 10 1 "[ . + . 2 . 3 ]"
1 64 SER 16.019 0.434 22 0 "[ . 1 . 2 . 3 ]"
1 65 GLY 30.370 0.657 9 1 "[ . +1 . 2 . 3 ]"
1 66 ASP 33.679 0.891 21 30 "[***-****** ********+** ******* **]"
1 67 VAL 145.142 2.067 34 34 [***************-*****************+]
1 68 TYR 58.811 0.881 28 22 "[* *. ***1 ******* * ***-+ 3****]"
1 69 SER 55.685 1.298 8 31 "[*******+** ********* ******-***** ]"
1 70 GLY 17.252 0.592 32 3 "[ -. 1 . 2 . * 3 + ]"
1 71 GLY 25.460 1.748 24 25 "[ ***.* *1****** 2***+****-*****]"
1 72 SER 5.064 0.611 32 4 "[ . 1-** . 2 . 3 + ]"
1 73 PRO 62.976 2.357 27 34 [**-***********************+*******]
1 74 GLY 26.642 1.288 32 19 "[* ***-* 1****. * 2 * .** ***+* ]"
1 75 ALA 79.251 1.121 18 32 "[********** *****+******-*********]"
1 76 ASP 77.020 1.288 32 20 "[ -**.*** * *. ** * * ***** 3*+* ]"
1 77 ARG 162.518 2.357 27 34 [***-**********************+*******]
1 78 VAL 44.375 0.684 23 15 "[ * *** **1** *** - + . 3* *]"
1 79 VAL 394.691 1.868 23 34 [-*********************+***********]
1 80 PHE 313.343 1.355 17 34 [********-*******+*****************]
1 81 ASN 184.680 1.532 33 34 [************************-*******+*]
1 82 GLU 54.764 1.510 26 8 "[ . 1 . 2 * .+ ******]"
1 83 ASN 62.464 1.114 34 8 "[ . 1 . 2 * .* *-***+]"
1 84 ASN 103.330 1.510 26 17 "[* . *-1****. * 2 * *+ ******]"
1 85 GLN 115.773 1.623 19 34 [******************+**********-****]
1 86 LEU 86.293 1.532 33 31 "[ *-***********.* ***************+*]"
1 87 ALA 145.311 1.087 28 34 [***-***********************+******]
1 88 GLY 104.246 1.613 20 34 [*******************+-*************]
1 89 VAL 181.745 1.660 27 34 [***************-**********+*******]
1 90 ILE 328.241 1.818 8 34 [*******+*******-******************]
1 91 THR 246.575 1.777 17 34 [*****-**********+*****************]
1 92 HIS 99.544 0.852 6 22 "[ ** *+**** * .******* *- ** 3* * ]"
1 93 THR 113.256 1.121 18 34 [**-**************+****************]
1 94 GLY 46.116 1.025 18 32 "[**-********** ***+*************** ]"
1 95 ALA 105.589 1.206 25 34 [************************+********-]
1 96 SER 56.576 1.027 4 23 "[ **+.*** * ***.*** 2* -** * *** **]"
1 97 GLY 23.009 0.907 17 8 "[ .* 1 .*+ 2* ** -* ]"
1 98 ASN 27.198 0.551 17 3 "[ . 1 * .-+ 2 . 3 ]"
1 99 ASN 47.732 0.981 14 13 "[ * .* * 1 -+.*** 2* *. 3* **]"
1 100 PHE 158.695 1.033 30 34 [***-*************************+****]
1 101 VAL 158.978 1.777 17 34 [****************+***********-*****]
1 102 GLU 176.715 1.660 27 34 [**************************+*-*****]
1 103 CYS 116.455 0.955 24 34 [********************-**+**********]
1 104 THR 88.566 1.491 30 34 [******************-**********+****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 CYS H . . 4.230 2.752 2.191 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 ALA MB 1 3 ASP H . . 7.460 4.579 2.958 6.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 CYS H 1 2 CYS HA . 2.840 4.420 2.824 2.607 2.932 0.233 2 0 "[ . 1 . 2 . 3 ]" 1
4 1 2 CYS HA 1 3 ASP H . 2.370 2.640 2.420 2.220 2.648 0.150 34 0 "[ . 1 . 2 . 3 ]" 1
5 1 2 CYS HA 1 11 TYR H . . 3.770 4.057 3.948 4.180 0.410 13 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 CYS QB 1 3 ASP H . . 3.840 3.624 3.079 3.998 0.158 28 0 "[ . 1 . 2 . 3 ]" 1
7 1 2 CYS QB 1 4 TYR H . . 3.630 3.552 3.365 4.084 0.454 17 0 "[ . 1 . 2 . 3 ]" 1
8 1 2 CYS QB 1 10 CYS HA . . 3.400 2.089 1.879 3.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 2 CYS QB 1 11 TYR H . . 3.290 3.693 3.168 4.003 0.713 33 17 "[ * . ** * *. -***** ***** 3 + ]" 1
10 1 3 ASP H 1 3 ASP HB3 . . 3.550 3.550 3.428 3.719 0.169 17 0 "[ . 1 . 2 . 3 ]" 1
11 1 3 ASP H 1 3 ASP HB2 . . 2.980 2.562 2.121 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 3 ASP H 1 4 TYR HD2 . . 4.500 3.952 3.320 4.608 0.108 26 0 "[ . 1 . 2 . 3 ]" 1
13 1 3 ASP H 1 4 TYR HA . . 5.810 4.893 4.316 5.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 3 ASP H 1 12 SER HA . . 3.140 2.090 1.810 2.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 3 ASP H 1 13 SER H . . 4.280 3.972 3.364 4.377 0.097 17 0 "[ . 1 . 2 . 3 ]" 1
16 1 3 ASP HA 1 3 ASP HB3 . 2.550 2.660 2.643 2.496 2.763 0.103 5 0 "[ . 1 . 2 . 3 ]" 1
17 1 3 ASP HA 1 4 TYR H . . 3.880 3.479 3.357 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 3 ASP HB3 1 4 TYR HD2 . . 3.550 3.687 3.308 3.909 0.359 32 0 "[ . 1 . 2 . 3 ]" 1
19 1 3 ASP HB3 1 4 TYR QE . . 4.750 3.478 3.101 3.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 3 ASP HB3 1 4 TYR H . . 3.690 3.898 3.642 3.966 0.276 16 0 "[ . 1 . 2 . 3 ]" 1
21 1 3 ASP HB3 1 12 SER HA . 3.500 7.080 3.855 3.422 4.302 0.078 29 0 "[ . 1 . 2 . 3 ]" 1
22 1 3 ASP HB3 1 13 SER H . 3.440 3.800 3.818 3.670 3.957 0.157 19 0 "[ . 1 . 2 . 3 ]" 1
23 1 3 ASP HB2 1 12 SER HA . 2.460 2.660 2.445 2.216 2.714 0.244 34 0 "[ . 1 . 2 . 3 ]" 1
24 1 3 ASP HB2 1 13 SER H . 2.870 3.020 2.790 2.532 2.967 0.338 9 0 "[ . 1 . 2 . 3 ]" 1
25 1 4 TYR HD2 1 11 TYR H . . 5.840 4.603 3.974 5.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 4 TYR HD2 1 13 SER H . . 6.950 3.466 2.565 4.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 4 TYR HD2 1 13 SER HA . . 3.670 3.465 3.109 3.749 0.079 7 0 "[ . 1 . 2 . 3 ]" 1
28 1 4 TYR HD2 1 15 ASP H . . 4.480 4.789 4.605 5.064 0.584 21 6 "[ . 1 . ** *+ -* 3 ]" 1
29 1 4 TYR CG 1 89 VAL HB . . 2.620 3.226 2.988 3.688 1.068 21 15 "[ * . * *1 *. ****+* **-** 3 ]" 1
30 1 4 TYR CG 1 89 VAL QG . . 5.150 2.152 2.055 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 4 TYR QE 1 13 SER H . . 4.740 3.059 1.895 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 4 TYR QE 1 13 SER HA . . 4.730 2.448 1.984 2.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 4 TYR QE 1 13 SER QB . . 3.300 2.822 1.829 3.894 0.594 21 9 "[ . 1 . ***+* ** *- 3 ]" 1
34 1 4 TYR QE 1 15 ASP H . . 5.010 5.558 5.350 5.871 0.861 20 13 "[ - * * 1 *. **+** ** ** 3 ]" 1
35 1 4 TYR QE 1 16 VAL HB . . 5.570 3.838 2.995 4.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 4 TYR QE 1 88 GLY QA . . 4.590 3.587 2.024 5.633 1.043 20 9 "[ . 1 . **+** ** *- 3 ]" 1
37 1 4 TYR QE 1 89 VAL H . . 4.570 3.780 3.513 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 4 TYR QE 1 89 VAL HB . . 3.870 3.544 2.515 3.938 0.068 30 0 "[ . 1 . 2 . 3 ]" 1
39 1 4 TYR CZ 1 89 VAL QG . . 5.640 3.011 2.579 3.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 4 TYR H 1 10 CYS HA . . 4.760 3.825 3.468 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 4 TYR H 1 11 TYR H . . 3.420 3.240 2.817 3.687 0.267 9 0 "[ . 1 . 2 . 3 ]" 1
42 1 4 TYR H 1 12 SER HA . . 4.230 2.970 2.287 3.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 4 TYR H 1 89 VAL QG . . 6.790 4.171 4.043 4.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 4 TYR HA 1 4 TYR HB3 . 2.750 3.030 2.560 2.525 2.593 0.225 26 0 "[ . 1 . 2 . 3 ]" 1
45 1 4 TYR HA 1 5 THR H . 2.590 2.790 2.261 2.189 2.475 0.401 25 0 "[ . 1 . 2 . 3 ]" 1
46 1 4 TYR HA 1 104 THR H . . 4.580 4.197 3.608 4.591 0.011 9 0 "[ . 1 . 2 . 3 ]" 1
47 1 4 TYR HB3 1 11 TYR QE . . 3.370 3.302 2.608 3.972 0.602 26 10 "[ * . ** * *. 2 - .+** 3 * ]" 1
48 1 5 THR H 1 5 THR HB . . 3.050 2.373 2.134 2.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 5 THR H 1 103 CYS QB . 3.160 4.320 2.939 2.205 3.415 0.955 24 8 "[ . *1 . *-* * +* * 3 ]" 1
50 1 5 THR H 1 104 THR MG . . 7.910 4.306 1.855 4.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 5 THR HA 1 5 THR HB . 2.760 3.730 3.041 2.986 3.065 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 5 THR HA 1 5 THR MG . 2.900 3.350 2.568 2.402 2.746 0.498 2 0 "[ . 1 . 2 . 3 ]" 1
53 1 5 THR HA 1 6 CYS H . . 2.670 2.173 2.157 2.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 5 THR HA 1 9 ASN QB . 2.910 3.530 2.202 2.078 2.465 0.832 9 33 "[********+**-**** *****************]" 1
55 1 5 THR HA 1 11 TYR H . 2.560 3.220 3.659 3.541 3.810 0.590 33 6 "[ - . * * . *2 .* 3 + ]" 1
56 1 5 THR HB 1 6 CYS H . . 4.470 4.633 4.569 4.704 0.234 9 0 "[ . 1 . 2 . 3 ]" 1
57 1 5 THR MG 1 6 CYS H . . 5.140 3.248 3.072 3.439 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 5 THR MG 1 7 GLY H . . 5.640 2.562 2.148 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 5 THR MG 1 8 SER H . . 6.870 3.475 2.896 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 5 THR MG 1 9 ASN H . . 5.360 1.986 1.745 2.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 5 THR MG 1 11 TYR H . . 7.110 5.399 5.079 5.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 5 THR MG 1 104 THR H . . 6.630 4.170 3.406 5.942 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 6 CYS H 1 6 CYS QB . . 3.200 2.202 2.174 2.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 6 CYS H 1 7 GLY H . . 4.630 3.684 3.619 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 6 CYS H 1 9 ASN H . . 3.960 3.092 2.817 3.340 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 6 CYS H 1 9 ASN HA . . 4.340 4.345 4.226 4.401 0.061 8 0 "[ . 1 . 2 . 3 ]" 1
67 1 6 CYS H 1 9 ASN QB . . 5.060 1.513 1.387 1.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 6 CYS H 1 9 ASN QD . . 2.990 2.345 2.109 2.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 6 CYS H 1 10 CYS H . . 3.860 4.357 4.159 4.439 0.579 9 17 "[** .-**+1 **** 2 * .* **** *]" 1
70 1 6 CYS H 1 11 TYR QD . . 4.690 4.176 3.590 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 6 CYS H 1 11 TYR QE . . 2.770 2.418 1.912 2.936 0.166 12 0 "[ . 1 . 2 . 3 ]" 1
72 1 6 CYS HA 1 6 CYS QB . 2.420 2.790 2.466 2.456 2.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 6 CYS HA 1 7 GLY H . 2.070 2.410 2.559 2.520 2.597 0.187 12 0 "[ . 1 . 2 . 3 ]" 1
74 1 6 CYS HA 1 91 THR HB . . 6.390 3.792 3.403 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 6 CYS HA 1 91 THR MG . 3.350 3.850 2.418 2.019 2.753 1.331 19 34 [***************-**+***************] 1
76 1 6 CYS HA 1 103 CYS HA . 2.380 2.710 2.807 2.151 3.023 0.313 16 0 "[ . 1 . 2 . 3 ]" 1
77 1 6 CYS HA 1 103 CYS QB . 2.670 3.710 1.993 1.832 2.522 0.838 29 28 "[***************** 2- * .***+*****]" 1
78 1 6 CYS HA 1 104 THR H . . 4.970 3.458 2.944 5.300 0.330 19 0 "[ . 1 . 2 . 3 ]" 1
79 1 6 CYS QB 1 91 THR HA . . 8.910 4.583 4.219 4.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 6 CYS QB 1 91 THR MG . 3.820 4.010 2.873 2.492 3.231 1.328 19 34 [******************+**************-] 1
81 1 6 CYS QB 1 9 ASN H . . 4.430 4.228 4.071 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 6 CYS QB 1 9 ASN QD . . 5.210 2.141 2.063 2.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 6 CYS QB 1 11 TYR CZ . . 2.330 2.995 2.907 3.088 0.758 16 34 [***************+**-***************] 1
84 1 7 GLY H 1 91 THR MG . . 5.230 4.193 3.887 4.380 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 7 GLY QA 1 8 SER H . . 2.830 2.670 2.631 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 7 GLY QA 1 9 ASN H . . 3.790 4.311 4.078 4.448 0.658 26 17 "[ * . ** * *. ***** **+**-3 * ]" 1
87 1 7 GLY QA 1 104 THR MG . . 4.760 4.014 3.835 4.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 8 SER H 1 8 SER QB . 3.720 4.500 2.947 2.855 3.067 0.865 5 34 [****+***************************-*] 1
89 1 8 SER H 1 9 ASN H . 2.410 2.820 2.738 2.390 2.998 0.178 1 0 "[ . 1 . 2 . 3 ]" 1
90 1 8 SER H 1 9 ASN QB . . 4.490 4.078 3.928 4.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 8 SER HA 1 9 ASN H . 2.970 3.940 2.712 2.659 2.807 0.311 29 0 "[ . 1 . 2 . 3 ]" 1
92 1 8 SER QB 1 9 ASN QD . . 4.240 3.827 3.657 4.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 9 ASN H 1 9 ASN HA . . 3.030 2.905 2.888 2.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 9 ASN H 1 9 ASN QB . 2.040 2.660 2.708 2.620 2.854 0.194 17 0 "[ . 1 . 2 . 3 ]" 1
95 1 9 ASN HA 1 9 ASN QD . . 3.740 3.279 3.197 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 9 ASN HA 1 10 CYS H . . 2.650 2.813 2.744 2.892 0.242 10 0 "[ . 1 . 2 . 3 ]" 1
97 1 9 ASN QB 1 10 CYS H . . 3.700 1.974 1.876 2.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 9 ASN QB 1 61 ILE MG . . 5.400 4.343 4.111 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 9 ASN QB 1 11 TYR H . . 3.530 3.343 3.103 3.620 0.090 17 0 "[ . 1 . 2 . 3 ]" 1
100 1 10 CYS H 1 10 CYS HA . 2.860 3.470 2.788 2.767 2.807 0.093 17 0 "[ . 1 . 2 . 3 ]" 1
101 1 10 CYS H 1 10 CYS HB3 . 2.600 3.010 3.326 3.150 3.506 0.496 17 0 "[ . 1 . 2 . 3 ]" 1
102 1 10 CYS H 1 10 CYS HB2 . 2.980 3.170 3.365 3.231 3.503 0.333 33 0 "[ . 1 . 2 . 3 ]" 1
103 1 10 CYS H 1 11 TYR H . . 3.750 2.720 2.413 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 10 CYS HA 1 10 CYS HB3 . . 3.080 2.991 2.952 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 10 CYS HA 1 10 CYS HB2 . 2.280 2.950 2.597 2.463 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 10 CYS HA 1 11 TYR H . . 2.620 2.518 2.413 2.640 0.020 34 0 "[ . 1 . 2 . 3 ]" 1
107 1 10 CYS HA 1 11 TYR HA . 3.650 5.650 4.470 4.414 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 10 CYS HB2 1 11 TYR H . 3.610 4.590 4.689 4.671 4.732 0.142 17 0 "[ . 1 . 2 . 3 ]" 1
109 1 11 TYR CG 1 11 TYR HA . 2.180 2.580 3.242 2.978 3.482 0.902 5 18 "[** *+* *1*** **- 2 * . **** *]" 1
110 1 11 TYR QD 1 12 SER H . . 5.310 4.651 4.302 4.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 11 TYR CG 1 15 ASP QB . . 2.620 3.408 3.257 3.627 1.007 33 34 [*-******************************+*] 1
112 1 11 TYR QD 1 16 VAL QG . . 5.610 3.607 2.951 4.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 11 TYR QD 1 61 ILE MG . . 6.060 3.355 2.853 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 11 TYR H 1 11 TYR QE . . 4.940 3.804 3.458 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 11 TYR CZ 1 61 ILE QG . . 5.790 4.410 3.870 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 11 TYR QE 1 61 ILE QG . . 4.430 3.503 3.052 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 11 TYR CZ 1 61 ILE MD . . 6.180 3.554 2.606 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 11 TYR CZ 1 61 ILE MG . . 5.000 2.866 2.745 3.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 11 TYR CZ 1 62 LEU H . . 6.970 7.176 7.043 7.343 0.373 28 0 "[ . 1 . 2 . 3 ]" 1
120 1 11 TYR QE 1 63 SER H . . 4.250 3.726 3.444 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 11 TYR QE 1 63 SER HA . . 2.790 2.876 2.573 3.060 0.270 2 0 "[ . 1 . 2 . 3 ]" 1
122 1 11 TYR QE 1 63 SER QB . . 3.790 3.180 2.340 3.882 0.092 16 0 "[ . 1 . 2 . 3 ]" 1
123 1 11 TYR CZ 1 76 ASP HA . . 4.850 5.110 4.857 5.290 0.440 22 0 "[ . 1 . 2 . 3 ]" 1
124 1 11 TYR CZ 1 76 ASP HB3 . 3.680 4.330 3.294 2.967 3.673 0.713 7 11 "[ -* . +* * *. * * * . ** 3 ]" 1
125 1 11 TYR QE 1 89 VAL QG . . 5.830 2.454 1.861 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 11 TYR HH 1 61 ILE MG . . 4.000 2.817 2.161 3.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 11 TYR HH 1 76 ASP HB3 . . 4.000 2.089 1.770 2.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 6 CYS QB 1 11 TYR HH . . 4.000 2.050 1.753 2.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 9 ASN QD 1 11 TYR HH . . 4.000 3.683 3.386 3.919 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 11 TYR H 1 11 TYR HA . 2.920 3.240 2.921 2.891 2.943 0.029 25 0 "[ . 1 . 2 . 3 ]" 1
131 1 11 TYR H 1 11 TYR HB3 . 2.090 4.240 3.424 3.316 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 11 TYR H 1 12 SER H . . 7.630 3.688 3.231 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 11 TYR H 1 16 VAL QG . . 7.280 4.646 4.420 5.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 11 TYR HA 1 11 TYR HB3 . 2.540 2.810 2.413 2.359 2.467 0.181 17 0 "[ . 1 . 2 . 3 ]" 1
135 1 11 TYR HA 1 12 SER H . . 2.750 2.485 2.196 2.820 0.070 24 0 "[ . 1 . 2 . 3 ]" 1
136 1 11 TYR HB3 1 12 SER H . 3.460 4.570 4.484 3.633 4.597 0.027 33 0 "[ . 1 . 2 . 3 ]" 1
137 1 11 TYR HB3 1 15 ASP H . . 4.540 4.784 4.311 5.012 0.472 23 0 "[ . 1 . 2 . 3 ]" 1
138 1 11 TYR HB3 1 16 VAL H . . 4.330 4.489 3.831 4.918 0.588 29 15 "[* -* *1*** ** 2 * . +*** *]" 1
139 1 11 TYR HB2 1 12 SER H . . 3.950 4.146 3.926 4.320 0.370 14 0 "[ . 1 . 2 . 3 ]" 1
140 1 11 TYR HB2 1 15 ASP H . . 5.320 4.505 3.812 5.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 12 SER H 1 12 SER QB . . 3.440 2.266 2.000 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 12 SER H 1 15 ASP H . 3.820 4.570 3.630 3.361 3.940 0.459 4 0 "[ . 1 . 2 . 3 ]" 1
143 1 12 SER H 1 15 ASP HA . . 9.460 5.367 4.888 5.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 12 SER H 1 16 VAL H . . 5.110 5.068 4.743 5.468 0.358 7 0 "[ . 1 . 2 . 3 ]" 1
145 1 12 SER H 1 16 VAL QG . . 7.480 4.767 4.558 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 12 SER HA 1 12 SER QB . . 2.750 2.308 2.170 2.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 12 SER HA 1 13 SER H . 2.390 2.850 2.539 2.361 2.725 0.029 33 0 "[ . 1 . 2 . 3 ]" 1
148 1 12 SER HA 1 14 SER H . 3.650 3.680 3.950 3.846 4.047 0.367 32 0 "[ . 1 . 2 . 3 ]" 1
149 1 12 SER HA 1 15 ASP H . . 5.970 4.197 4.098 4.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 12 SER HA 1 16 VAL H . . 5.440 4.982 4.738 5.447 0.007 17 0 "[ . 1 . 2 . 3 ]" 1
151 1 12 SER QB 1 13 SER H . . 3.170 2.711 2.011 3.339 0.169 25 0 "[ . 1 . 2 . 3 ]" 1
152 1 12 SER QB 1 15 ASP H . . 4.460 3.557 2.844 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 13 SER H 1 13 SER HA . 2.800 3.240 2.672 2.625 2.729 0.175 33 0 "[ . 1 . 2 . 3 ]" 1
154 1 13 SER H 1 13 SER QB . . 2.940 2.471 2.150 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 13 SER H 1 14 SER H . . 3.760 2.842 2.738 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 13 SER H 1 14 SER HA . . 9.370 5.297 5.187 5.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 13 SER H 1 14 SER QB . . 4.040 4.559 4.431 4.668 0.628 33 17 "[ * . ** * *. -***** ***** 3 + ]" 1
158 1 13 SER H 1 15 ASP H . . 7.120 4.217 4.143 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 13 SER H 1 15 ASP QB . . 6.000 5.099 4.906 5.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 13 SER H 1 16 VAL HB . . 5.470 5.053 4.944 5.282 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 13 SER H 1 16 VAL QG . . 7.380 4.079 3.965 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 13 SER HA 1 15 ASP H . 3.510 3.820 4.032 3.882 4.099 0.279 9 0 "[ . 1 . 2 . 3 ]" 1
163 1 13 SER HA 1 16 VAL H . . 3.580 3.258 3.226 3.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 13 SER HA 1 16 VAL HB . 2.130 2.250 2.558 2.409 2.824 0.574 33 3 "[ . 1 . - 2 .* 3 + ]" 1
165 1 13 SER HA 1 16 VAL QG . 3.060 3.180 2.622 2.469 2.780 0.591 20 8 "[- . 1 *. **+** * 3 ]" 1
166 1 14 SER H 1 14 SER HA . . 3.090 2.851 2.844 2.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 14 SER H 1 14 SER QB . . 2.910 2.244 2.237 2.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 14 SER HA 1 17 SER H . . 3.470 3.885 3.724 4.060 0.590 20 11 "[ * . - 1 *. **+** ** * 3 ]" 1
169 1 14 SER QB 1 15 ASP H . . 3.280 2.931 2.852 3.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 15 ASP H 1 15 ASP QB . 2.590 2.780 2.087 2.059 2.108 0.531 33 16 "[ * . ** * *. ***-* ***** 3 + ]" 1
171 1 15 ASP H 1 16 VAL H . 2.510 2.700 2.319 2.265 2.371 0.245 20 0 "[ . 1 . 2 . 3 ]" 1
172 1 15 ASP H 1 16 VAL HB . . 4.760 4.359 4.264 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 15 ASP H 1 16 VAL QG . . 6.450 3.727 3.578 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 15 ASP H 1 61 ILE MD . . 7.360 5.058 4.681 5.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 15 ASP HA 1 15 ASP QB . 2.530 2.660 2.546 2.535 2.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 15 ASP HA 1 16 VAL H . . 3.870 3.568 3.485 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 15 ASP QB 1 16 VAL H . 2.650 2.980 2.800 2.581 3.079 0.099 21 0 "[ . 1 . 2 . 3 ]" 1
178 1 15 ASP QB 1 61 ILE MD . . 5.180 2.926 2.382 3.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 15 ASP QB 1 16 VAL QG . 3.350 4.820 3.235 3.055 3.457 0.295 16 0 "[ . 1 . 2 . 3 ]" 1
180 1 16 VAL H 1 16 VAL HA . 2.590 2.730 2.805 2.730 2.874 0.144 21 0 "[ . 1 . 2 . 3 ]" 1
181 1 16 VAL H 1 16 VAL HB . 2.130 2.280 2.327 2.181 2.423 0.143 34 0 "[ . 1 . 2 . 3 ]" 1
182 1 16 VAL H 1 16 VAL QG . 2.840 3.620 2.242 1.919 2.569 0.921 34 19 "[** *** *1*** ** 2 * .- *****+]" 1
183 1 16 VAL H 1 17 SER H . . 3.060 2.823 2.723 2.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 16 VAL H 1 17 SER QB . . 4.900 4.370 4.233 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 16 VAL H 1 61 ILE QG . . 4.750 5.381 5.184 5.682 0.932 25 30 "[****.*** ****** -*******+***** ***]" 1
186 1 16 VAL H 1 61 ILE MD . . 7.160 3.736 3.454 4.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 16 VAL HA 1 16 VAL HB . 2.520 2.730 3.019 3.004 3.026 0.296 33 0 "[ . 1 . 2 . 3 ]" 1
188 1 16 VAL HA 1 17 SER H . 3.950 6.490 3.630 3.615 3.640 0.335 34 0 "[ . 1 . 2 . 3 ]" 1
189 1 16 VAL HA 1 18 THR HB . . 6.110 4.781 4.543 5.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 16 VAL HA 1 19 ALA H . 3.740 3.890 3.345 3.182 3.527 0.558 23 8 "[* . 1* -* 2 + . *3 * *]" 1
191 1 16 VAL HA 1 19 ALA MB . 3.500 3.770 2.754 2.529 2.957 0.971 15 34 [**************+********-**********] 1
192 1 16 VAL HA 1 61 ILE MD . 3.010 3.140 2.066 1.891 2.234 1.119 34 34 [***********************-*********+] 1
193 1 16 VAL HB 1 17 SER H . 2.400 2.520 2.369 2.128 2.597 0.272 8 0 "[ . 1 . 2 . 3 ]" 1
194 1 16 VAL QG 1 17 SER H . 3.610 4.260 2.915 2.492 3.238 1.118 7 21 "[ **.*+*** *- ****** ***** 3 * ]" 1
195 1 16 VAL QG 1 17 SER HA . . 4.940 3.281 2.826 3.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 16 VAL QG 1 20 GLN H . 3.300 4.030 3.460 3.188 3.746 0.112 11 0 "[ . 1 . 2 . 3 ]" 1
197 1 16 VAL QG 1 78 VAL HB . 2.560 4.460 2.705 1.876 3.581 0.684 23 12 "[ * *** *1** ** 2 + . 3* -]" 1
198 1 16 VAL QG 1 61 ILE MD . . 5.930 2.210 1.675 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 16 VAL QG 1 89 VAL QG . . 5.660 1.992 1.677 2.417 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 17 SER H 1 17 SER HA . 2.470 2.640 2.626 2.611 2.654 0.014 24 0 "[ . 1 . 2 . 3 ]" 1
201 1 17 SER H 1 17 SER QB . . 3.370 2.178 2.121 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 17 SER H 1 18 THR H . 2.660 2.760 3.088 3.033 3.156 0.396 1 0 "[ . 1 . 2 . 3 ]" 1
203 1 17 SER H 1 19 ALA MB . . 7.110 5.026 4.923 5.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 17 SER H 1 89 VAL QG . . 6.990 5.899 5.507 6.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 17 SER HA 1 20 GLN H . 3.080 3.240 3.284 3.198 3.357 0.117 31 0 "[ . 1 . 2 . 3 ]" 1
206 1 17 SER HA 1 20 GLN QB . . 3.390 2.604 2.487 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 17 SER HA 1 21 ALA H . . 4.140 3.758 3.589 3.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 18 THR H 1 18 THR HA . . 2.720 2.740 2.720 2.763 0.043 33 0 "[ . 1 . 2 . 3 ]" 1
209 1 18 THR H 1 18 THR HB . . 2.630 2.140 2.116 2.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 18 THR H 1 19 ALA H . . 2.890 2.960 2.882 3.054 0.164 6 0 "[ . 1 . 2 . 3 ]" 1
211 1 18 THR H 1 19 ALA MB . . 6.590 4.479 4.415 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 18 THR H 1 20 GLN H . . 4.000 4.156 4.106 4.256 0.256 17 0 "[ . 1 . 2 . 3 ]" 1
213 1 18 THR HA 1 18 THR HB . . 2.690 3.020 3.019 3.024 0.334 14 0 "[ . 1 . 2 . 3 ]" 1
214 1 18 THR HA 1 18 THR MG . 3.140 3.450 2.641 2.609 2.688 0.531 3 22 "[ *+******1* * ** -*2 ***** ** * ]" 1
215 1 18 THR HA 1 19 ALA H . . 3.530 3.623 3.611 3.632 0.102 6 0 "[ . 1 . 2 . 3 ]" 1
216 1 18 THR HA 1 20 GLN H . . 4.080 4.465 4.408 4.542 0.462 25 0 "[ . 1 . 2 . 3 ]" 1
217 1 18 THR HA 1 21 ALA MB . . 5.180 2.697 2.498 2.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 18 THR HB 1 19 ALA H . 2.260 2.330 2.713 2.604 2.811 0.481 17 0 "[ . 1 . 2 . 3 ]" 1
219 1 18 THR MG 1 19 ALA H . . 5.300 2.886 2.710 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 18 THR MG 1 19 ALA HA . 3.600 3.850 3.147 2.966 3.270 0.634 34 11 "[* . - * . *** . ** 3* *+]" 1
221 1 19 ALA H 1 19 ALA MB . 3.040 3.130 2.057 1.933 2.163 1.107 21 34 [**********-*********+*************] 1
222 1 19 ALA H 1 20 GLN H . 2.730 2.980 2.694 2.651 2.761 0.079 11 0 "[ . 1 . 2 . 3 ]" 1
223 1 19 ALA H 1 21 ALA MB . . 7.190 4.809 4.667 4.920 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 19 ALA H 1 61 ILE MD . . 6.430 3.967 3.570 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 19 ALA H 1 78 VAL MG2 . . 6.010 4.631 3.975 5.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 19 ALA HA 1 20 GLN H . 3.700 4.050 3.608 3.603 3.614 0.097 11 0 "[ . 1 . 2 . 3 ]" 1
227 1 19 ALA HA 1 22 ALA H . 2.850 4.920 3.700 3.574 3.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 19 ALA HA 1 22 ALA MB . 3.690 3.770 3.167 2.913 3.294 0.777 23 19 "[* *** **1****** * + * *3** -]" 1
229 1 19 ALA HA 1 59 TRP HD1 . . 5.280 4.019 3.634 4.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 19 ALA HA 1 59 TRP HE1 . 3.340 3.430 2.967 2.731 3.086 0.609 17 2 "[ . - 1 . + 2 . 3 ]" 1
231 1 19 ALA MB 1 20 GLN H . 3.110 3.360 2.628 2.527 2.743 0.583 25 15 "[ * . ** *- *. * 2 * +* ** ***]" 1
232 1 19 ALA MB 1 21 ALA H . . 5.990 4.815 4.762 4.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 19 ALA MB 1 59 TRP HD1 . 3.580 3.780 2.450 2.220 2.672 1.360 16 34 [-**************+******************] 1
234 1 19 ALA MB 1 59 TRP HE1 . 3.900 4.260 2.913 2.638 3.265 1.262 32 34 [******-************************+**] 1
235 1 19 ALA MB 1 61 ILE HA . . 4.480 2.295 2.005 2.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 19 ALA MB 1 61 ILE HB . . 5.080 2.934 2.411 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 19 ALA MB 1 61 ILE QG . . 4.660 1.746 1.653 1.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 19 ALA MB 1 61 ILE MD . . 6.510 2.597 2.256 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 19 ALA MB 1 61 ILE MG . . 6.360 3.896 3.580 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 19 ALA MB 1 62 LEU H . . 5.620 3.243 2.868 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 20 GLN H 1 20 GLN HA . 2.930 3.300 2.752 2.726 2.774 0.204 28 0 "[ . 1 . 2 . 3 ]" 1
242 1 20 GLN H 1 20 GLN QB . 2.390 2.810 2.647 2.576 2.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 20 GLN H 1 21 ALA H . 2.980 3.150 2.868 2.829 2.940 0.151 14 0 "[ . 1 . 2 . 3 ]" 1
244 1 20 GLN H 1 21 ALA MB . . 8.960 4.273 4.203 4.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 20 GLN H 1 22 ALA H . 3.780 4.070 4.103 4.028 4.197 0.127 33 0 "[ . 1 . 2 . 3 ]" 1
246 1 20 GLN H 1 59 TRP HD1 . . 4.750 4.552 4.333 4.789 0.039 27 0 "[ . 1 . 2 . 3 ]" 1
247 1 20 GLN H 1 61 ILE MD . . 7.220 4.903 4.574 5.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 20 GLN H 1 78 VAL MG2 . . 5.310 3.462 2.798 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 20 GLN HA 1 20 GLN QB . 2.260 2.740 2.316 2.265 2.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 20 GLN HA 1 20 GLN HG3 . . 3.280 3.163 2.929 3.707 0.427 21 0 "[ . 1 . 2 . 3 ]" 1
251 1 20 GLN HA 1 20 GLN HG2 . . 3.170 2.747 2.530 2.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 20 GLN HA 1 21 ALA H . 3.340 5.030 3.640 3.636 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 20 GLN HA 1 22 ALA H . . 5.180 3.846 3.619 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 20 GLN HA 1 23 GLY H . . 3.910 2.926 2.718 3.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 20 GLN HA 1 23 GLY QA . . 3.600 3.328 2.995 3.823 0.223 23 0 "[ . 1 . 2 . 3 ]" 1
256 1 20 GLN HA 1 59 TRP HD1 . 3.000 3.140 3.650 3.408 4.042 0.902 27 17 "[ * . * * -. ****** ***+* 3* *]" 1
257 1 20 GLN HA 1 78 VAL MG2 . . 4.580 3.264 2.729 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 20 GLN HA 1 80 PHE QD . . 4.040 4.171 4.026 4.311 0.271 12 0 "[ . 1 . 2 . 3 ]" 1
259 1 20 GLN QB 1 20 GLN HG2 . . 2.240 2.360 2.301 2.560 0.320 21 0 "[ . 1 . 2 . 3 ]" 1
260 1 20 GLN QB 1 21 ALA H . 2.700 2.960 2.290 2.223 2.355 0.477 15 0 "[ . 1 . 2 . 3 ]" 1
261 1 20 GLN QB 1 80 PHE QD . . 3.490 3.595 3.473 3.700 0.210 16 0 "[ . 1 . 2 . 3 ]" 1
262 1 20 GLN QB 1 80 PHE QB . 3.580 4.320 3.028 2.792 3.451 0.788 1 24 "[+********1******* 2 * .* ****-*]" 1
263 1 20 GLN HE21 1 20 GLN HG3 . . 3.310 3.501 2.392 3.568 0.258 33 0 "[ . 1 . 2 . 3 ]" 1
264 1 20 GLN HE21 1 20 GLN HG2 . . 3.570 2.743 2.563 3.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 20 GLN HE21 1 80 PHE QB . . 4.730 2.402 1.959 3.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 20 GLN HE21 1 84 ASN H . . 5.330 4.967 3.477 5.612 0.282 6 0 "[ . 1 . 2 . 3 ]" 1
267 1 20 GLN HE21 1 84 ASN HA . . 4.290 3.576 2.107 4.338 0.048 8 0 "[ . 1 . 2 . 3 ]" 1
268 1 20 GLN HE21 1 85 GLN HA . . 4.520 4.154 3.495 5.152 0.632 23 1 "[ . 1 . 2 + . 3 ]" 1
269 1 20 GLN HE21 1 86 LEU H . . 4.110 3.382 2.201 4.481 0.371 12 0 "[ . 1 . 2 . 3 ]" 1
270 1 20 GLN HE21 1 86 LEU HA . . 4.890 3.223 2.798 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 20 GLN HE21 1 86 LEU MD1 . . 7.500 4.499 3.193 5.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 20 GLN HE22 1 20 GLN HG3 . . 3.730 4.123 3.567 4.158 0.428 33 0 "[ . 1 . 2 . 3 ]" 1
273 1 20 GLN HE22 1 80 PHE QB . . 4.750 3.245 1.921 3.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 20 GLN HE22 1 84 ASN HA . . 4.740 4.022 2.400 5.112 0.372 1 0 "[ . 1 . 2 . 3 ]" 1
275 1 20 GLN HE22 1 85 GLN HA . . 4.000 3.085 2.023 4.433 0.433 30 0 "[ . 1 . 2 . 3 ]" 1
276 1 20 GLN HE22 1 86 LEU H . . 3.370 2.259 1.702 3.386 0.016 12 0 "[ . 1 . 2 . 3 ]" 1
277 1 20 GLN HE22 1 86 LEU HA . . 4.460 3.212 1.817 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 20 GLN HE22 1 86 LEU QB . . 4.310 2.193 1.769 2.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 20 GLN HE22 1 86 LEU MD1 . . 7.180 4.290 3.552 4.847 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 20 GLN HE22 1 87 ALA H . . 5.350 5.363 3.946 5.743 0.393 26 0 "[ . 1 . 2 . 3 ]" 1
281 1 20 GLN HG2 1 80 PHE QD . . 3.870 4.156 3.899 4.448 0.578 21 4 "[ .* 1 . 2+ -. * 3 ]" 1
282 1 21 ALA H 1 21 ALA HA . 2.800 2.950 2.644 2.624 2.687 0.176 19 0 "[ . 1 . 2 . 3 ]" 1
283 1 21 ALA H 1 21 ALA MB . 2.960 3.120 2.097 1.971 2.203 0.989 11 34 [**********+*****-*****************] 1
284 1 21 ALA H 1 22 ALA H . 2.890 3.050 2.987 2.923 3.047 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 21 ALA H 1 22 ALA MB . . 6.880 4.590 4.503 4.648 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 21 ALA H 1 23 GLY H . . 5.470 4.565 4.308 4.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 21 ALA H 1 78 VAL MG2 . . 7.100 5.636 5.124 6.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 21 ALA HA 1 22 ALA H . . 5.080 3.584 3.552 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 21 ALA HA 1 24 TYR H . 3.260 3.390 3.718 3.576 3.925 0.535 21 1 "[ . 1 . 2+ . 3 ]" 1
290 1 21 ALA HA 1 24 TYR QB . 2.940 3.920 2.721 2.118 3.006 0.822 23 1 "[ . 1 . 2 + . 3 ]" 1
291 1 21 ALA HA 1 25 LYS H . 3.670 4.120 3.428 3.142 3.666 0.528 25 2 "[ . 1 . 2 -+ 3 ]" 1
292 1 21 ALA HA 1 25 LYS QB . . 5.050 4.009 3.504 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 21 ALA MB 1 22 ALA H . . 4.480 2.741 2.595 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 21 ALA MB 1 23 GLY H . . 5.740 4.799 4.621 4.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 22 ALA H 1 22 ALA HA . 2.820 3.000 2.850 2.793 2.896 0.027 23 0 "[ . 1 . 2 . 3 ]" 1
296 1 22 ALA H 1 22 ALA MB . 2.840 2.960 2.147 1.983 2.229 0.857 16 34 [***************+****-*************] 1
297 1 22 ALA H 1 23 GLY H . . 3.050 2.598 2.358 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 22 ALA H 1 23 GLY QA . . 3.990 4.402 4.222 4.624 0.634 23 3 "[ . * 1 - . 2 + . 3 ]" 1
299 1 22 ALA H 1 24 TYR H . . 3.640 3.900 3.774 4.037 0.397 15 0 "[ . 1 . 2 . 3 ]" 1
300 1 22 ALA H 1 59 TRP HE1 . . 6.180 4.537 4.280 4.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 22 ALA H 1 67 VAL QG . . 5.570 3.530 3.398 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 22 ALA HA 1 22 ALA MB . 2.290 2.530 2.140 2.109 2.149 0.181 32 0 "[ . 1 . 2 . 3 ]" 1
303 1 22 ALA HA 1 23 GLY H . 3.350 3.530 3.634 3.612 3.642 0.112 23 0 "[ . 1 . 2 . 3 ]" 1
304 1 22 ALA HA 1 24 TYR H . . 4.860 4.454 4.255 4.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 22 ALA HA 1 25 LYS H . 3.310 3.470 3.935 3.834 4.039 0.569 15 10 "[ . * 1 + -*2* .*** * * ]" 1
306 1 22 ALA HA 1 25 LYS QB . 3.420 4.290 2.834 2.531 3.146 0.889 17 27 "[* *** ***** *.*+* *** *-*********]" 1
307 1 22 ALA MB 1 23 GLY H . 3.440 3.530 2.333 2.130 2.605 1.310 23 34 [***************-******+***********] 1
308 1 22 ALA MB 1 24 TYR H . . 6.000 4.432 4.287 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 22 ALA MB 1 59 TRP HD1 . . 6.300 4.073 3.753 4.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 22 ALA MB 1 59 TRP HE1 . 3.650 3.960 2.593 2.312 2.829 1.338 24 34 [***************-*******+**********] 1
311 1 22 ALA MB 1 59 TRP HH2 . 3.720 4.920 3.976 3.671 4.163 0.049 20 0 "[ . 1 . 2 . 3 ]" 1
312 1 22 ALA MB 1 59 TRP HZ2 . 2.860 3.220 2.662 2.299 2.877 0.561 20 2 "[ . 1 . + -. 3 ]" 1
313 1 22 ALA MB 1 67 VAL QG . 3.530 4.120 1.508 1.463 1.600 2.067 34 34 [***************-*****************+] 1
314 1 22 ALA MB 1 68 TYR H . . 8.810 3.943 3.440 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 23 GLY H 1 23 GLY QA . . 2.690 2.156 2.152 2.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 23 GLY H 1 24 TYR H . . 3.290 2.792 2.714 2.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 23 GLY H 1 59 TRP HE1 . 3.470 3.740 3.860 3.526 4.059 0.319 26 0 "[ . 1 . 2 . 3 ]" 1
318 1 23 GLY H 1 67 VAL QG . . 7.250 4.188 4.016 4.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 23 GLY H 1 78 VAL MG2 . . 6.420 4.967 4.497 5.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 23 GLY QA 1 26 LEU H . . 4.580 4.067 3.555 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 23 GLY QA 1 26 LEU MD2 . . 5.400 3.452 3.144 3.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 23 GLY QA 1 59 TRP HD1 . . 3.800 3.976 3.627 4.234 0.434 4 0 "[ . 1 . 2 . 3 ]" 1
323 1 24 TYR CG 1 80 PHE QE . . 7.430 3.312 2.920 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 24 TYR H 1 24 TYR HA . 2.810 3.030 2.824 2.749 2.862 0.061 15 0 "[ . 1 . 2 . 3 ]" 1
325 1 24 TYR H 1 24 TYR QB . 2.600 2.690 1.989 1.880 2.069 0.720 13 34 [************+***************-*****] 1
326 1 24 TYR H 1 25 LYS H . . 3.350 2.862 2.720 3.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 24 TYR H 1 80 PHE CZ . 2.480 3.350 3.774 3.585 4.246 0.896 23 8 "[* *- * 1 ** . 2 + * 3 ]" 1
328 1 24 TYR H 1 80 PHE HZ . . 4.300 3.702 3.458 4.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 24 TYR HA 1 24 TYR QB . 2.640 3.000 2.509 2.384 2.578 0.256 26 0 "[ . 1 . 2 . 3 ]" 1
330 1 24 TYR HA 1 25 LYS H . . 4.330 3.639 3.629 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 24 TYR HA 1 27 HIS H . 3.500 4.500 3.173 3.049 3.336 0.451 32 0 "[ . 1 . 2 . 3 ]" 1
332 1 24 TYR HA 1 27 HIS QB . . 2.590 1.893 1.786 2.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 24 TYR HA 1 27 HIS HD2 . . 5.320 3.284 2.980 3.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 24 TYR HA 1 28 GLU H . 3.170 3.370 3.599 3.476 3.787 0.417 6 0 "[ . 1 . 2 . 3 ]" 1
335 1 24 TYR HA 1 80 PHE HZ . . 3.620 2.769 2.370 3.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 24 TYR QB 1 80 PHE QD . . 4.810 3.722 3.369 4.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 24 TYR QR 1 28 GLU H . . 6.460 3.715 2.756 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 25 LYS H 1 25 LYS HA . 2.580 2.870 2.667 2.633 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 25 LYS H 1 25 LYS QD . . 3.430 3.910 3.462 4.050 0.620 24 25 "[****** ******** ***2** +* -* 3** ]" 1
340 1 25 LYS H 1 25 LYS QB . 2.410 2.550 2.183 2.072 2.216 0.338 23 0 "[ . 1 . 2 . 3 ]" 1
341 1 25 LYS H 1 26 LEU H . . 2.970 3.131 2.988 3.229 0.259 17 0 "[ . 1 . 2 . 3 ]" 1
342 1 25 LYS H 1 28 GLU H . 3.020 3.540 4.471 4.406 4.600 1.060 23 34 [**-*******************+***********] 1
343 1 25 LYS HA 1 25 LYS QD . . 3.160 2.561 2.039 3.734 0.574 29 7 "[ . * 1 . 2 * .* +* -*]" 1
344 1 25 LYS HA 1 25 LYS QG . 3.390 4.520 2.825 2.574 2.928 0.816 27 29 "[**-************* ** * **+*******]" 1
345 1 25 LYS HA 1 26 LEU H . . 3.810 3.636 3.624 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 25 LYS HA 1 28 GLU H . . 3.640 3.465 3.386 3.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 25 LYS HA 1 28 GLU QB . . 3.210 3.606 3.529 3.744 0.534 31 2 "[ . 1- . 2 . 3+ ]" 1
348 1 25 LYS HA 1 29 ASP H . . 3.840 4.406 4.313 4.589 0.749 23 33 "[**********************+******* -**]" 1
349 1 25 LYS QD 1 29 ASP H . . 4.940 4.761 4.236 4.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 25 LYS QB 1 26 LEU H . . 3.650 2.451 2.212 2.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 25 LYS QG 1 29 ASP H . . 5.730 4.706 4.598 4.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 26 LEU H 1 26 LEU HA . . 3.130 2.790 2.764 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 26 LEU H 1 26 LEU QB . 2.110 2.410 2.149 2.095 2.169 0.015 32 0 "[ . 1 . 2 . 3 ]" 1
354 1 26 LEU H 1 26 LEU MD1 . . 5.160 4.156 4.076 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 26 LEU H 1 27 HIS H . 2.300 2.580 2.643 2.540 2.710 0.130 5 0 "[ . 1 . 2 . 3 ]" 1
356 1 26 LEU H 1 27 HIS QB . . 5.160 4.339 4.223 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
357 1 26 LEU HA 1 26 LEU QB . 2.020 2.530 2.292 2.237 2.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 26 LEU HA 1 26 LEU HG . . 3.100 3.049 2.752 3.457 0.357 30 0 "[ . 1 . 2 . 3 ]" 1
359 1 26 LEU HA 1 26 LEU MD1 . . 4.370 2.387 1.994 2.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 26 LEU HA 1 29 ASP H . . 3.540 3.333 3.204 3.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 26 LEU HA 1 29 ASP QB . 2.880 2.880 2.472 2.319 2.658 0.561 17 3 "[ - 1 . +* 2 . 3 ]" 1
362 1 26 LEU QB 1 27 HIS H . 2.710 2.870 2.869 2.745 3.026 0.156 15 0 "[ . 1 . 2 . 3 ]" 1
363 1 26 LEU QB 1 32 THR HA . . 7.990 4.720 4.423 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 26 LEU QB 1 39 PRO QD . . 3.310 2.711 2.346 2.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 26 LEU HG 1 27 HIS H . . 3.470 3.934 3.573 4.188 0.718 8 19 "[* -** +*1****. ** ****** *3 ]" 1
366 1 26 LEU HG 1 31 GLU H . 2.550 3.380 3.106 2.590 3.759 0.379 32 0 "[ . 1 . 2 . 3 ]" 1
367 1 26 LEU HG 1 32 THR HA . 3.580 4.100 3.376 2.934 3.621 0.646 28 2 "[ . 1 - 2 . + 3 ]" 1
368 1 26 LEU HG 1 39 PRO QD . . 3.340 2.655 1.780 3.353 0.013 13 0 "[ . 1 . 2 . 3 ]" 1
369 1 26 LEU MD2 1 39 PRO QD . . 5.020 1.641 1.485 1.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 26 LEU MD1 1 27 HIS H . . 6.420 4.706 4.223 5.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 26 LEU MD1 1 30 GLY H . . 7.730 4.744 3.686 5.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 26 LEU MD1 1 31 GLU H . . 6.080 2.965 1.862 3.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 26 LEU MD1 1 31 GLU HB2 . . 5.000 1.816 1.683 2.032 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 26 LEU MD1 1 32 THR H . . 6.190 2.616 2.317 2.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 26 LEU MD1 1 32 THR HA . . 5.450 3.059 2.765 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 26 LEU MD1 1 33 VAL H . . 5.730 4.348 3.855 4.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 26 LEU MD1 1 33 VAL QG . . 6.630 2.434 1.896 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 26 LEU MD1 1 59 TRP HH2 . . 4.620 4.935 4.383 5.488 0.868 34 10 "[ * .* * .* 2 . * ***-+]" 1
379 1 26 LEU MD1 1 59 TRP HZ3 . . 4.860 4.812 4.447 5.135 0.275 27 0 "[ . 1 . 2 . 3 ]" 1
380 1 27 HIS H 1 28 GLU H . 2.130 2.390 2.672 2.610 2.723 0.333 17 0 "[ . 1 . 2 . 3 ]" 1
381 1 27 HIS H 1 39 PRO HG3 . . 3.420 3.708 3.430 4.080 0.660 24 5 "[ . 1*-* . 2 +* 3 ]" 1
382 1 27 HIS HA 1 27 HIS QB . 2.160 3.160 2.288 2.234 2.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 27 HIS HA 1 28 GLU H . . 3.920 3.623 3.606 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 27 HIS HA 1 29 ASP H . 3.490 4.180 3.931 3.824 4.047 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 27 HIS HA 1 30 GLY H . . 4.040 3.059 2.876 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 27 HIS HA 1 31 GLU H . 3.880 4.210 3.866 3.692 4.178 0.188 15 0 "[ . 1 . 2 . 3 ]" 1
387 1 27 HIS QB 1 27 HIS HD2 . 2.950 3.140 2.654 2.651 2.673 0.299 22 0 "[ . 1 . 2 . 3 ]" 1
388 1 27 HIS QB 1 28 GLU H . 2.900 3.080 2.597 2.418 2.783 0.482 15 0 "[ . 1 . 2 . 3 ]" 1
389 1 27 HIS QB 1 80 PHE QE . . 2.950 3.047 2.805 3.242 0.292 21 0 "[ . 1 . 2 . 3 ]" 1
390 1 27 HIS QB 1 80 PHE CZ . . 3.840 3.318 3.090 3.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 27 HIS HD2 1 28 GLU H . . 4.850 3.992 3.834 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 27 HIS HD2 1 28 GLU HA . 3.730 3.940 4.212 4.049 4.308 0.368 26 0 "[ . 1 . 2 . 3 ]" 1
393 1 27 HIS HD2 1 28 GLU HG2 . . 3.600 3.767 3.500 4.220 0.620 15 1 "[ . 1 + 2 . 3 ]" 1
394 1 27 HIS HD2 1 80 PHE QE . . 2.650 3.170 2.879 3.282 0.632 6 25 "[*****+-*** * ********* *. * 3*** ]" 1
395 1 27 HIS HD2 1 82 GLU HA . . 4.940 3.275 2.550 5.039 0.099 23 0 "[ . 1 . 2 . 3 ]" 1
396 1 27 HIS HD2 1 82 GLU QG . . 4.970 3.508 1.960 5.750 0.780 23 2 "[ . 1 . 2 + .- 3 ]" 1
397 1 27 HIS HE1 1 57 TYR QE . . 4.080 3.605 3.296 4.135 0.055 15 0 "[ . 1 . 2 . 3 ]" 1
398 1 27 HIS HE1 1 57 TYR QR . . 6.730 3.464 3.198 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 28 GLU H 1 28 GLU HA . 2.900 3.120 2.757 2.725 2.798 0.175 28 0 "[ . 1 . 2 . 3 ]" 1
400 1 28 GLU H 1 28 GLU QB . . 2.530 2.892 2.878 2.900 0.370 33 0 "[ . 1 . 2 . 3 ]" 1
401 1 28 GLU H 1 29 ASP H . . 3.130 2.668 2.558 2.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 28 GLU HA 1 28 GLU QB . . 2.680 2.185 2.171 2.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 28 GLU HA 1 28 GLU HG3 . . 3.690 3.655 3.610 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 28 GLU HA 1 29 ASP H . 3.290 3.700 3.521 3.499 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 28 GLU HA 1 30 GLY H . 3.960 5.230 3.916 3.709 4.097 0.251 15 0 "[ . 1 . 2 . 3 ]" 1
406 1 28 GLU QB 1 29 ASP H . . 3.000 3.262 3.162 3.435 0.435 31 0 "[ . 1 . 2 . 3 ]" 1
407 1 28 GLU QB 1 28 GLU HG3 . . 2.310 2.386 2.343 2.434 0.124 31 0 "[ . 1 . 2 . 3 ]" 1
408 1 28 GLU HG3 1 29 ASP H . . 4.630 3.111 2.859 3.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 29 ASP H 1 29 ASP QB . 2.270 2.730 2.265 2.154 2.470 0.116 8 0 "[ . 1 . 2 . 3 ]" 1
410 1 29 ASP H 1 31 GLU H . 3.020 3.170 3.620 3.526 3.753 0.583 33 12 "[ * .** * .* *2 .*- ***+ ]" 1
411 1 29 ASP HA 1 30 GLY H . . 3.710 3.487 3.445 3.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 29 ASP QB 1 31 GLU H . 3.310 3.530 2.641 2.400 2.791 0.910 33 34 [**********************-*********+*] 1
413 1 29 ASP QB 1 31 GLU HB2 . 2.530 3.270 2.766 2.521 2.925 0.009 27 0 "[ . 1 . 2 . 3 ]" 1
414 1 29 ASP QB 1 30 GLY H . 2.520 3.540 3.031 2.909 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 29 ASP QB 1 31 GLU QG . . 2.760 2.590 2.341 2.994 0.234 6 0 "[ . 1 . 2 . 3 ]" 1
416 1 30 GLY H 1 30 GLY HA2 . . 2.840 2.264 2.254 2.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 30 GLY H 1 30 GLY HA3 . . 2.610 2.863 2.839 2.875 0.265 6 0 "[ . 1 . 2 . 3 ]" 1
418 1 30 GLY H 1 31 GLU H . 2.270 2.560 2.472 2.432 2.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 30 GLY H 1 31 GLU QG . . 4.610 4.586 4.406 4.897 0.287 31 0 "[ . 1 . 2 . 3 ]" 1
420 1 30 GLY HA2 1 31 GLU H . . 3.200 3.108 3.027 3.155 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 30 GLY HA3 1 31 GLU H . . 3.250 3.536 3.510 3.573 0.323 23 0 "[ . 1 . 2 . 3 ]" 1
422 1 31 GLU H 1 31 GLU HB3 . . 3.360 3.556 3.459 3.630 0.270 15 0 "[ . 1 . 2 . 3 ]" 1
423 1 31 GLU H 1 31 GLU HB2 . 2.250 2.780 2.329 2.233 2.428 0.017 31 0 "[ . 1 . 2 . 3 ]" 1
424 1 31 GLU H 1 31 GLU QG . . 3.320 2.945 2.795 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 31 GLU H 1 32 THR MG . . 6.760 4.626 4.471 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 31 GLU HA 1 31 GLU QG . . 3.080 2.610 2.460 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 31 GLU HA 1 32 THR H . . 2.550 2.643 2.564 2.707 0.157 23 0 "[ . 1 . 2 . 3 ]" 1
428 1 31 GLU HB3 1 32 THR H . . 2.950 2.172 2.036 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
429 1 31 GLU HB2 1 31 GLU QG . . 2.230 2.201 2.199 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 31 GLU HB2 1 32 THR H . . 3.560 3.575 3.415 3.698 0.138 16 0 "[ . 1 . 2 . 3 ]" 1
431 1 31 GLU QG 1 32 THR H . . 3.880 4.033 3.848 4.196 0.316 15 0 "[ . 1 . 2 . 3 ]" 1
432 1 32 THR H 1 32 THR HB . . 3.910 3.752 3.606 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 32 THR H 1 32 THR MG . 3.230 4.490 2.775 2.367 3.294 0.863 23 17 "[ ****** ** *. -*2 *+ *** 3 *]" 1
434 1 32 THR HA 1 32 THR HB . . 2.810 2.511 2.375 2.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 32 THR HA 1 33 VAL H . . 2.850 2.591 2.372 2.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 32 THR HA 1 33 VAL QG . . 5.600 3.053 2.915 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 32 THR HA 1 38 TYR H . 3.230 4.010 4.202 4.071 4.296 0.286 28 0 "[ . 1 . 2 . 3 ]" 1
438 1 32 THR HA 1 39 PRO QD . . 3.300 3.128 2.729 3.323 0.023 23 0 "[ . 1 . 2 . 3 ]" 1
439 1 32 THR HB 1 33 VAL H . . 2.950 2.332 2.104 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 32 THR HB 1 37 SER HA . . 2.220 2.387 2.277 2.490 0.270 12 0 "[ . 1 . 2 . 3 ]" 1
441 1 32 THR HB 1 38 TYR H . 3.280 4.990 3.025 2.774 3.149 0.506 15 1 "[ . 1 + 2 . 3 ]" 1
442 1 32 THR MG 1 37 SER H . . 7.370 4.720 4.106 5.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 32 THR MG 1 37 SER HA . . 5.500 2.294 1.824 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 32 THR MG 1 38 TYR H . 3.390 4.910 3.806 2.932 4.071 0.458 15 0 "[ . 1 . 2 . 3 ]" 1
445 1 33 VAL H 1 33 VAL HA . 2.890 3.350 2.923 2.843 2.941 0.047 15 0 "[ . 1 . 2 . 3 ]" 1
446 1 33 VAL H 1 33 VAL HB . 3.760 4.070 3.809 3.444 3.902 0.316 15 0 "[ . 1 . 2 . 3 ]" 1
447 1 33 VAL H 1 34 GLY H . . 3.940 4.327 4.205 4.532 0.592 15 3 "[ . 1 + 2 . * 3 - ]" 1
448 1 33 VAL H 1 37 SER HA . 3.390 6.390 4.219 3.991 4.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 33 VAL H 1 38 TYR H . 2.790 3.100 3.022 2.788 3.608 0.508 27 1 "[ . 1 . 2 . + 3 ]" 1
450 1 33 VAL H 1 38 TYR HB2 . . 5.680 3.386 3.248 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 33 VAL H 1 39 PRO QD . . 4.720 4.369 3.683 4.871 0.151 22 0 "[ . 1 . 2 . 3 ]" 1
452 1 33 VAL H 1 59 TRP HZ3 . . 3.970 3.769 3.064 4.027 0.057 27 0 "[ . 1 . 2 . 3 ]" 1
453 1 33 VAL HA 1 33 VAL HB . 2.450 2.750 2.376 2.300 2.636 0.150 13 0 "[ . 1 . 2 . 3 ]" 1
454 1 33 VAL HA 1 33 VAL QG . 2.990 3.810 2.328 2.046 2.435 0.944 15 34 [**************+*****-*************] 1
455 1 33 VAL HA 1 34 GLY H . . 2.530 2.223 2.182 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 33 VAL HB 1 34 GLY H . 2.580 3.210 3.284 2.589 3.554 0.344 23 0 "[ . 1 . 2 . 3 ]" 1
457 1 33 VAL QG 1 34 GLY H . 2.930 6.450 3.479 3.085 3.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 33 VAL QG 1 59 TRP HE3 . 3.960 3.960 3.303 3.189 3.505 0.771 8 33 "[*******+*************-**** *******]" 1
459 1 33 VAL QG 1 59 TRP HH2 . 3.120 3.640 1.644 1.424 1.717 1.696 28 34 [***************************+*-****] 1
460 1 33 VAL QG 1 59 TRP HZ3 . . 4.810 1.598 1.525 1.751 0.215 8 0 "[ . 1 . 2 . 3 ]" 1
461 1 33 VAL QG 1 68 TYR QB . . 7.500 3.017 2.442 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 33 VAL QG 1 69 SER H . . 6.860 4.084 3.484 4.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 33 VAL QG 1 38 TYR CG . . 6.260 3.897 3.656 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 33 VAL QG 1 59 TRP HZ2 . 3.340 4.360 3.401 3.320 3.489 0.020 28 0 "[ . 1 . 2 . 3 ]" 1
465 1 33 VAL QG 1 68 TYR HA . . 5.390 4.476 4.084 4.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 33 VAL QG 1 69 SER HA . 3.670 4.370 2.794 2.372 3.456 1.298 8 29 "[*******+ * ** ****** ***-******** ]" 1
467 1 34 GLY H 1 70 GLY QA . . 3.770 3.946 3.233 4.362 0.592 32 2 "[ -. 1 . 2 . 3 + ]" 1
468 1 34 GLY QA 1 70 GLY QA . . 3.340 2.402 1.769 3.879 0.539 28 1 "[ . 1 . 2 . + 3 ]" 1
469 1 35 SER H 1 35 SER HB2 . . 4.370 2.938 2.150 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 36 ASN H 1 36 ASN HB2 . . 3.910 2.199 2.060 2.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 36 ASN H 1 37 SER H . . 3.890 4.353 4.197 4.485 0.595 23 10 "[ . * 1 .*- 2* +*. ** **]" 1
472 1 36 ASN HA 1 36 ASN HB3 . . 2.920 2.810 2.704 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 36 ASN HA 1 36 ASN HB2 . . 2.960 2.968 2.944 3.027 0.067 27 0 "[ . 1 . 2 . 3 ]" 1
474 1 36 ASN HA 1 37 SER H . . 4.460 2.913 2.867 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 36 ASN HB3 1 37 SER H . . 4.360 1.755 1.520 1.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 36 ASN HB3 1 38 TYR HE1 . . 3.160 2.669 1.898 3.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 36 ASN HB2 1 37 SER H . . 4.650 3.358 3.129 3.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 36 ASN HB2 1 38 TYR HE1 . . 4.510 3.932 2.571 4.521 0.011 18 0 "[ . 1 . 2 . 3 ]" 1
479 1 36 ASN HD21 1 38 TYR CZ . . 2.780 2.408 2.158 2.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 36 ASN HD22 1 38 TYR CZ . . 3.010 3.324 3.152 3.847 0.837 27 5 "[ . 1 . 2 ** . +- 3 *]" 1
481 1 37 SER H 1 37 SER HA . 2.200 2.530 2.912 2.858 2.919 0.389 32 0 "[ . 1 . 2 . 3 ]" 1
482 1 37 SER H 1 37 SER HB3 . . 3.120 2.915 2.408 3.274 0.154 21 0 "[ . 1 . 2 . 3 ]" 1
483 1 37 SER H 1 38 TYR H . . 9.120 2.857 2.706 3.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 37 SER H 1 38 TYR HB3 . . 5.250 5.601 5.494 6.057 0.807 27 4 "[ . 1 . 2 ** . + 3 -]" 1
485 1 37 SER H 1 38 TYR HB2 . . 5.770 4.572 4.416 5.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 37 SER H 1 40 HIS HD2 . . 3.720 3.878 3.685 4.011 0.291 15 0 "[ . 1 . 2 . 3 ]" 1
487 1 37 SER HA 1 37 SER HB3 . . 2.210 2.550 2.385 2.646 0.436 17 0 "[ . 1 . 2 . 3 ]" 1
488 1 37 SER HA 1 38 TYR H . 2.020 2.380 2.807 2.673 2.947 0.567 27 4 "[ . 1 - 2 ** . + 3 ]" 1
489 1 38 TYR H 1 38 TYR HD1 . . 4.470 2.083 1.809 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 38 TYR CG 1 38 TYR HA . 2.700 4.070 2.815 2.793 2.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 38 TYR CG 1 39 PRO HA . 2.630 3.460 3.611 3.520 3.730 0.270 34 0 "[ . 1 . 2 . 3 ]" 1
492 1 38 TYR CG 1 40 HIS H . . 5.660 5.563 5.406 5.854 0.194 25 0 "[ . 1 . 2 . 3 ]" 1
493 1 38 TYR HD2 1 58 GLU QG . . 5.920 4.808 4.232 5.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 38 TYR HD2 1 59 TRP H . . 5.240 5.360 4.787 5.691 0.451 34 0 "[ . 1 . 2 . 3 ]" 1
495 1 38 TYR HD2 1 59 TRP HA . . 4.940 3.014 2.590 3.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 38 TYR HD2 1 60 PRO HD3 . . 3.630 1.898 1.729 2.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 38 TYR HD2 1 60 PRO HD2 . . 3.460 3.509 3.343 3.703 0.243 23 0 "[ . 1 . 2 . 3 ]" 1
498 1 38 TYR CG 1 71 GLY QA . . 4.770 5.519 4.918 6.518 1.748 24 25 "[ ***.* *1****** 2***+****-*****]" 1
499 1 38 TYR HD2 1 73 PRO QG . . 5.590 3.562 3.000 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 38 TYR CZ 1 39 PRO HA . . 6.970 5.831 5.709 6.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 38 TYR HE2 1 58 GLU QG . . 5.480 4.772 4.137 5.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 38 TYR HE2 1 60 PRO HD3 . . 3.480 3.916 3.720 4.115 0.635 28 9 "[* . * 1 * 2-** . *+ 3 *]" 1
503 1 38 TYR H 1 38 TYR HB3 . 2.200 3.200 3.479 3.448 3.515 0.315 25 0 "[ . 1 . 2 . 3 ]" 1
504 1 38 TYR H 1 38 TYR HB2 . 2.370 2.670 2.224 2.179 2.286 0.191 18 0 "[ . 1 . 2 . 3 ]" 1
505 1 38 TYR H 1 40 HIS HD2 . . 6.030 3.955 3.454 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 38 TYR HA 1 38 TYR HB3 . 2.650 2.790 2.602 2.558 2.623 0.092 27 0 "[ . 1 . 2 . 3 ]" 1
507 1 38 TYR HA 1 39 PRO HA . 2.580 2.690 1.995 1.930 2.065 0.650 34 34 [***-*****************************+] 1
508 1 38 TYR HA 1 40 HIS H . 3.680 3.900 3.661 3.472 3.824 0.208 23 0 "[ . 1 . 2 . 3 ]" 1
509 1 38 TYR HA 1 59 TRP HE3 . . 5.070 4.099 3.914 4.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 38 TYR HB3 1 59 TRP HE3 . 2.210 2.520 2.428 2.195 2.576 0.056 11 0 "[ . 1 . 2 . 3 ]" 1
511 1 38 TYR HB3 1 59 TRP HZ3 . 2.420 3.290 3.086 2.732 3.352 0.062 15 0 "[ . 1 . 2 . 3 ]" 1
512 1 38 TYR HB2 1 39 PRO HA . . 3.720 3.773 3.662 3.856 0.136 34 0 "[ . 1 . 2 . 3 ]" 1
513 1 38 TYR HB2 1 59 TRP HE3 . . 3.720 3.813 3.586 4.000 0.280 24 0 "[ . 1 . 2 . 3 ]" 1
514 1 38 TYR HB2 1 59 TRP HZ3 . . 4.290 3.246 3.031 3.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 39 PRO HA 1 39 PRO HB3 . 2.480 2.620 2.302 2.301 2.304 0.179 13 0 "[ . 1 . 2 . 3 ]" 1
516 1 39 PRO HA 1 39 PRO HG2 . . 3.860 3.972 3.971 3.973 0.113 25 0 "[ . 1 . 2 . 3 ]" 1
517 1 39 PRO HA 1 40 HIS H . 2.380 2.510 2.680 2.571 2.793 0.283 24 0 "[ . 1 . 2 . 3 ]" 1
518 1 39 PRO HA 1 59 TRP HE3 . . 3.340 2.659 2.505 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
519 1 39 PRO HA 1 59 TRP HZ3 . 2.590 5.060 4.250 3.958 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 39 PRO HB2 1 59 TRP HB2 . 2.200 3.480 3.410 3.262 3.526 0.046 7 0 "[ . 1 . 2 . 3 ]" 1
521 1 39 PRO HB2 1 59 TRP HE3 . . 3.950 3.980 3.778 4.127 0.177 19 0 "[ . 1 . 2 . 3 ]" 1
522 1 39 PRO HB2 1 80 PHE QE . . 3.870 2.881 2.636 3.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 39 PRO HB2 1 80 PHE HZ . . 4.030 3.227 2.566 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 39 PRO HB3 1 39 PRO HG2 . . 2.940 2.956 2.955 2.957 0.017 25 0 "[ . 1 . 2 . 3 ]" 1
525 1 39 PRO HB3 1 40 HIS H . . 4.070 3.165 3.094 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 39 PRO HB3 1 59 TRP HE3 . 2.210 4.980 2.413 2.184 2.593 0.026 24 0 "[ . 1 . 2 . 3 ]" 1
527 1 39 PRO HB3 1 80 PHE HZ . . 3.520 3.675 3.258 4.092 0.572 31 4 "[ . 1 . 2 . 3+*-*]" 1
528 1 39 PRO QD 1 59 TRP HZ3 . . 3.460 2.752 2.529 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 39 PRO QD 1 59 TRP HE3 . . 4.470 3.012 2.810 3.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 39 PRO QD 1 59 TRP HH2 . . 4.250 4.434 4.266 4.612 0.362 9 0 "[ . 1 . 2 . 3 ]" 1
531 1 39 PRO HG2 1 80 PHE HZ . . 3.850 2.970 2.541 3.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 40 HIS H 1 40 HIS HA . 2.980 3.690 2.752 2.701 2.803 0.279 25 0 "[ . 1 . 2 . 3 ]" 1
533 1 40 HIS H 1 40 HIS QB . 3.570 3.730 3.343 3.294 3.381 0.276 23 0 "[ . 1 . 2 . 3 ]" 1
534 1 40 HIS H 1 57 TYR HB2 . . 4.780 4.966 4.806 5.161 0.381 16 0 "[ . 1 . 2 . 3 ]" 1
535 1 40 HIS H 1 57 TYR HB3 . . 4.790 3.373 3.222 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 40 HIS H 1 58 GLU H . 2.810 3.150 2.764 2.497 3.130 0.313 23 0 "[ . 1 . 2 . 3 ]" 1
537 1 40 HIS H 1 58 GLU HB3 . . 5.200 5.121 4.796 5.399 0.199 2 0 "[ . 1 . 2 . 3 ]" 1
538 1 40 HIS H 1 58 GLU QG . . 4.080 2.835 2.490 3.074 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 40 HIS HA 1 41 LYS H . 2.090 3.340 2.502 2.386 2.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 40 HIS HA 1 57 TYR HD1 . . 5.260 4.771 4.392 5.153 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 40 HIS QB 1 41 LYS H . 3.760 4.170 2.457 2.328 2.681 1.432 21 34 [******-*************+*************] 1
542 1 40 HIS HD2 1 58 GLU QG . 3.870 4.090 3.725 3.384 3.956 0.486 30 0 "[ . 1 . 2 . 3 ]" 1
543 1 41 LYS H 1 41 LYS HB2 . . 3.090 2.339 2.007 3.347 0.257 30 0 "[ . 1 . 2 . 3 ]" 1
544 1 41 LYS H 1 41 LYS HG3 . . 4.910 4.165 3.546 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 41 LYS H 1 41 LYS HG2 . . 5.070 4.334 3.281 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 41 LYS H 1 57 TYR QR . . 6.880 4.064 3.786 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 41 LYS HA 1 41 LYS HB2 . . 2.690 2.560 2.227 2.833 0.143 4 0 "[ . 1 . 2 . 3 ]" 1
548 1 41 LYS HA 1 41 LYS HG3 . . 3.540 2.635 1.997 3.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 41 LYS HA 1 42 TYR H . . 2.660 2.458 2.336 2.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 41 LYS HA 1 57 TYR HD1 . . 2.910 2.388 2.141 2.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 41 LYS HA 1 57 TYR HA . 2.420 2.580 2.604 2.386 2.866 0.286 21 0 "[ . 1 . 2 . 3 ]" 1
552 1 41 LYS HA 1 58 GLU H . . 3.960 3.803 3.656 3.965 0.005 8 0 "[ . 1 . 2 . 3 ]" 1
553 1 41 LYS HB2 1 41 LYS HG2 . . 2.890 2.864 2.507 3.057 0.167 16 0 "[ . 1 . 2 . 3 ]" 1
554 1 41 LYS HB2 1 42 TYR H . . 3.530 3.886 2.755 4.117 0.587 14 13 "[ * . * *+.* *2 ** * 3**-*]" 1
555 1 41 LYS HG3 1 42 TYR H . . 3.770 2.603 1.844 4.027 0.257 33 0 "[ . 1 . 2 . 3 ]" 1
556 1 41 LYS HG2 1 42 TYR H . . 3.920 2.861 1.793 4.109 0.189 30 0 "[ . 1 . 2 . 3 ]" 1
557 1 41 LYS HG2 1 43 ASN H . . 5.430 3.237 1.943 5.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 41 LYS QD 1 43 ASN H . . 5.390 3.642 1.841 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 41 LYS QD 1 43 ASN HD21 . . 5.280 2.883 1.848 4.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 41 LYS QD 1 56 TYR H . . 5.450 3.988 2.455 5.031 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 42 TYR H 1 42 TYR QD . . 4.330 3.963 3.797 4.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 42 TYR CG 1 42 TYR HA . 2.840 4.420 2.997 2.939 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 42 TYR QD 1 43 ASN H . . 6.000 3.608 2.139 4.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 42 TYR QD 1 44 ASN H . . 6.080 3.133 2.424 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 42 TYR QD 1 44 ASN HA . . 6.630 3.362 3.225 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 42 TYR QD 1 44 ASN HB3 . . 5.670 3.021 2.502 3.458 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 42 TYR CG 1 50 PHE HE2 . . 4.150 3.651 3.507 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 42 TYR QD 1 50 PHE HZ . . 3.620 3.754 3.667 3.851 0.231 24 0 "[ . 1 . 2 . 3 ]" 1
569 1 42 TYR CG 1 56 TYR H . . 6.350 6.460 6.283 6.643 0.293 20 0 "[ . 1 . 2 . 3 ]" 1
570 1 42 TYR QD 1 56 TYR QB . . 3.790 2.481 2.084 2.701 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 42 TYR QD 1 58 GLU HB3 . . 4.820 1.861 1.704 2.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 42 TYR CG 1 79 VAL QG . . 6.060 2.297 2.061 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 42 TYR QD 1 90 ILE MD . . 6.440 3.038 2.726 3.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 42 TYR CZ 1 42 TYR HA . . 6.290 5.331 5.239 5.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 42 TYR QB 1 42 TYR QE . . 4.490 4.008 4.005 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 42 TYR QE 1 44 ASN H . . 3.890 3.925 3.404 4.305 0.415 33 0 "[ . 1 . 2 . 3 ]" 1
577 1 42 TYR CZ 1 50 PHE HZ . . 2.340 2.639 2.556 2.776 0.436 10 0 "[ . 1 . 2 . 3 ]" 1
578 1 42 TYR CZ 1 79 VAL QG . 3.430 7.810 2.631 2.365 2.824 1.065 24 34 [-**********************+**********] 1
579 1 42 TYR QE 1 90 ILE MD . . 5.080 1.818 1.706 2.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 42 TYR QE 1 100 PHE CG . . 4.740 3.397 2.662 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 42 TYR H 1 42 TYR HA . 2.570 4.000 2.895 2.865 2.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 42 TYR H 1 42 TYR QB . 2.280 2.600 2.542 2.442 2.634 0.034 33 0 "[ . 1 . 2 . 3 ]" 1
583 1 42 TYR H 1 43 ASN H . . 3.500 1.745 1.563 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 42 TYR H 1 43 ASN QB . 2.490 3.810 4.034 3.861 4.152 0.342 6 0 "[ . 1 . 2 . 3 ]" 1
585 1 42 TYR H 1 56 TYR H . . 3.730 3.725 3.413 3.982 0.252 25 0 "[ . 1 . 2 . 3 ]" 1
586 1 42 TYR H 1 56 TYR QB . . 3.150 3.045 2.668 3.242 0.092 28 0 "[ . 1 . 2 . 3 ]" 1
587 1 42 TYR H 1 56 TYR QR . . 7.460 4.796 4.363 5.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 42 TYR H 1 57 TYR HA . 2.760 3.920 3.799 3.355 4.098 0.178 21 0 "[ . 1 . 2 . 3 ]" 1
589 1 42 TYR H 1 57 TYR QR . . 6.790 4.017 3.631 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 42 TYR H 1 79 VAL QG . . 7.530 4.269 3.951 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 42 TYR HA 1 43 ASN H . . 2.410 3.366 3.178 3.641 1.231 28 34 [**-************************+******] 1
592 1 42 TYR HA 1 44 ASN H . . 5.190 5.151 4.870 5.376 0.186 34 0 "[ . 1 . 2 . 3 ]" 1
593 1 42 TYR HA 1 58 GLU QG . 3.970 3.980 3.507 3.248 3.738 0.722 29 13 "[** *** * *.* *2 * * +3 - ]" 1
594 1 42 TYR QB 1 43 ASN H . . 4.300 3.176 2.058 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 42 TYR QB 1 56 TYR CG . . 6.620 4.635 4.135 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 42 TYR QB 1 56 TYR QB . 2.490 2.830 2.575 2.124 2.884 0.366 32 0 "[ . 1 . 2 . 3 ]" 1
597 1 42 TYR QB 1 58 GLU H . . 4.620 2.606 2.313 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 42 TYR QB 1 79 VAL QG . 3.260 3.400 2.143 1.758 2.342 1.502 21 34 [********************+***********-*] 1
599 1 43 ASN H 1 43 ASN QB . . 3.540 2.807 2.473 3.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 43 ASN H 1 43 ASN HD21 . . 4.160 2.297 1.897 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 43 ASN H 1 43 ASN HD22 . . 3.840 3.798 3.564 4.374 0.534 30 1 "[ . 1 . 2 . + ]" 1
602 1 43 ASN H 1 44 ASN H . 3.080 4.100 4.115 3.827 4.405 0.305 31 0 "[ . 1 . 2 . 3 ]" 1
603 1 43 ASN HA 1 43 ASN QB . 2.110 2.480 2.554 2.518 2.565 0.085 1 0 "[ . 1 . 2 . 3 ]" 1
604 1 43 ASN QB 1 44 ASN H . . 3.530 2.934 1.663 3.947 0.417 25 0 "[ . 1 . 2 . 3 ]" 1
605 1 44 ASN H 1 44 ASN HA . 2.440 2.890 2.656 2.575 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 44 ASN H 1 44 ASN HB2 . 3.740 4.900 3.801 3.485 4.180 0.255 15 0 "[ . 1 . 2 . 3 ]" 1
607 1 44 ASN H 1 44 ASN QD . . 4.960 4.338 4.082 4.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 44 ASN H 1 45 TYR H . 3.130 4.360 4.508 4.289 4.673 0.313 25 0 "[ . 1 . 2 . 3 ]" 1
609 1 44 ASN H 1 56 TYR QB . . 4.910 3.873 3.089 4.797 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 44 ASN HA 1 44 ASN HB3 . 2.420 2.870 2.592 2.563 2.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 44 ASN HA 1 44 ASN HB2 . 2.570 3.070 2.406 2.377 2.428 0.193 33 0 "[ . 1 . 2 . 3 ]" 1
612 1 44 ASN HA 1 45 TYR H . 2.260 2.620 2.601 2.474 2.701 0.081 23 0 "[ . 1 . 2 . 3 ]" 1
613 1 44 ASN HA 1 50 PHE HE2 . . 3.760 3.832 3.604 4.040 0.280 34 0 "[ . 1 . 2 . 3 ]" 1
614 1 44 ASN HB3 1 50 PHE CG . 3.890 4.410 4.102 3.732 4.516 0.158 16 0 "[ . 1 . 2 . 3 ]" 1
615 1 44 ASN HB2 1 44 ASN QD . . 3.330 2.236 2.158 2.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 44 ASN HB2 1 47 GLY H . 3.420 3.870 3.927 3.779 4.083 0.213 33 0 "[ . 1 . 2 . 3 ]" 1
617 1 44 ASN HB2 1 48 PHE H . . 4.270 3.099 2.838 3.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 44 ASN QD 1 45 TYR CZ . . 6.320 6.020 5.898 6.163 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 44 ASN QD 1 48 PHE H . . 3.780 2.413 2.325 2.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 44 ASN QD 1 50 PHE CG . . 6.020 5.644 5.504 5.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 44 ASN QD 1 47 GLY H . . 2.660 2.852 2.742 2.960 0.300 8 0 "[ . 1 . 2 . 3 ]" 1
622 1 45 TYR CG 1 46 GLU H . . 6.270 4.466 4.386 4.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 45 TYR QB 1 45 TYR HE1 . . 4.700 4.781 4.775 4.783 0.083 16 0 "[ . 1 . 2 . 3 ]" 1
624 1 45 TYR CZ 1 46 GLU H . . 7.000 7.229 7.154 7.286 0.286 24 0 "[ . 1 . 2 . 3 ]" 1
625 1 45 TYR H 1 45 TYR QB . 2.230 2.720 2.824 2.656 2.942 0.222 23 0 "[ . 1 . 2 . 3 ]" 1
626 1 45 TYR H 1 46 GLU H . 2.450 2.960 2.105 1.858 2.286 0.592 24 5 "[ - . 1 . 2 * +* *3 ]" 1
627 1 45 TYR HA 1 46 GLU H . 3.300 3.740 3.618 3.598 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 45 TYR HA 1 47 GLY H . 3.360 4.160 3.430 3.310 3.484 0.050 24 0 "[ . 1 . 2 . 3 ]" 1
629 1 45 TYR QB 1 46 GLU H . 3.060 3.580 2.517 2.421 2.615 0.639 17 30 "[****************+* **** **** ** *-]" 1
630 1 45 TYR QB 1 47 GLY H . . 4.580 4.158 4.103 4.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 46 GLU H 1 46 GLU HA . 2.870 3.210 2.671 2.641 2.689 0.229 27 0 "[ . 1 . 2 . 3 ]" 1
632 1 46 GLU H 1 46 GLU HB3 . 2.690 3.460 3.558 3.548 3.568 0.108 27 0 "[ . 1 . 2 . 3 ]" 1
633 1 46 GLU H 1 46 GLU HB2 . . 3.120 2.560 2.405 2.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 46 GLU H 1 46 GLU QG . . 3.930 2.368 1.923 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 46 GLU H 1 47 GLY H . 2.760 3.270 2.863 2.833 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 46 GLU HA 1 46 GLU HB3 . 2.420 2.880 2.531 2.475 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 46 GLU HA 1 46 GLU HB2 . 2.550 3.950 3.049 3.035 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 46 GLU HA 1 46 GLU QG . . 3.000 2.766 2.247 3.087 0.087 15 0 "[ . 1 . 2 . 3 ]" 1
639 1 46 GLU HB3 1 47 GLY H . 3.350 6.340 4.114 4.012 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 46 GLU HB2 1 47 GLY H . 2.670 3.120 3.225 3.148 3.297 0.177 24 0 "[ . 1 . 2 . 3 ]" 1
641 1 46 GLU HB2 1 48 PHE H . . 4.320 4.514 4.356 4.576 0.256 30 0 "[ . 1 . 2 . 3 ]" 1
642 1 46 GLU HB2 1 48 PHE HZ . 2.180 3.090 3.348 2.960 3.552 0.462 19 0 "[ . 1 . 2 . 3 ]" 1
643 1 46 GLU QG 1 48 PHE HZ . . 4.000 3.747 3.073 4.425 0.425 25 0 "[ . 1 . 2 . 3 ]" 1
644 1 46 GLU QG 1 100 PHE H . . 3.190 3.107 2.469 3.546 0.356 28 0 "[ . 1 . 2 . 3 ]" 1
645 1 47 GLY H 1 47 GLY HA3 . . 2.910 2.958 2.952 2.961 0.051 6 0 "[ . 1 . 2 . 3 ]" 1
646 1 47 GLY H 1 47 GLY HA2 . . 2.740 2.418 2.386 2.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 47 GLY H 1 48 PHE H . 2.650 3.070 2.216 2.167 2.314 0.483 1 0 "[ . 1 . 2 . 3 ]" 1
648 1 47 GLY HA3 1 48 PHE H . . 3.530 3.644 3.641 3.645 0.115 26 0 "[ . 1 . 2 . 3 ]" 1
649 1 47 GLY HA2 1 48 PHE H . . 3.270 2.707 2.660 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 48 PHE H 1 48 PHE QD . . 2.950 2.642 2.411 3.262 0.312 24 0 "[ . 1 . 2 . 3 ]" 1
651 1 48 PHE QD 1 49 ASP H . . 4.480 3.952 3.598 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 48 PHE QD 1 50 PHE HE1 . . 3.500 2.462 2.106 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 48 PHE CZ 1 90 ILE HG12 . . 6.380 6.085 5.656 6.404 0.024 2 0 "[ . 1 . 2 . 3 ]" 1
654 1 48 PHE CZ 1 90 ILE MD . . 8.050 4.118 3.976 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 48 PHE CZ 1 90 ILE MG . 3.470 4.590 2.477 2.242 2.735 1.228 27 34 [*-************************+*******] 1
656 1 48 PHE CZ 1 100 PHE QB . 2.300 4.600 3.001 2.681 3.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 48 PHE HE2 1 100 PHE QB . . 3.740 3.306 3.008 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 48 PHE HE1 1 101 VAL HB . . 6.980 4.485 3.547 4.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 48 PHE HE1 1 102 GLU H . . 5.570 1.993 1.701 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 48 PHE HE1 1 102 GLU HA . . 5.360 3.026 2.663 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 48 PHE H 1 48 PHE HA . . 2.800 2.918 2.907 2.925 0.125 32 0 "[ . 1 . 2 . 3 ]" 1
662 1 48 PHE H 1 48 PHE HB3 . 3.360 3.820 3.504 3.487 3.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 48 PHE H 1 48 PHE HB2 . 2.630 2.970 2.242 2.212 2.286 0.418 24 0 "[ . 1 . 2 . 3 ]" 1
664 1 48 PHE H 1 49 ASP H . . 5.300 4.531 4.497 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 48 PHE H 1 50 PHE CG . . 6.420 5.970 5.732 6.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 48 PHE HA 1 48 PHE HB3 . . 3.040 2.611 2.574 2.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 48 PHE HA 1 49 ASP H . 2.650 2.890 2.230 2.214 2.258 0.436 18 0 "[ . 1 . 2 . 3 ]" 1
668 1 48 PHE HB3 1 49 ASP H . 3.650 3.900 3.287 3.162 3.377 0.488 26 0 "[ . 1 . 2 . 3 ]" 1
669 1 48 PHE HB3 1 50 PHE CG . . 6.310 3.300 3.210 3.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 48 PHE HB3 1 50 PHE CZ . . 4.310 2.819 2.702 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 48 PHE HB3 1 50 PHE H . . 4.590 3.423 3.080 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 48 PHE HB3 1 50 PHE HZ . 2.870 3.040 3.318 3.162 3.443 0.403 28 0 "[ . 1 . 2 . 3 ]" 1
673 1 48 PHE HB2 1 49 ASP H . . 4.130 4.276 4.215 4.342 0.212 19 0 "[ . 1 . 2 . 3 ]" 1
674 1 48 PHE HB2 1 50 PHE CG . . 5.250 3.946 3.676 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 48 PHE HB2 1 50 PHE CZ . 3.840 4.530 3.345 3.165 3.459 0.675 31 15 "[ - ** .* ** ****** *+ * ]" 1
676 1 48 PHE HB2 1 50 PHE H . . 4.340 3.889 3.550 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 48 PHE HB2 1 50 PHE HZ . 3.170 4.030 3.700 3.527 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 48 PHE HB2 1 90 ILE MG . . 6.020 4.918 4.466 5.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 48 PHE HZ 1 50 PHE CZ . . 5.630 5.981 5.869 6.075 0.445 26 0 "[ . 1 . 2 . 3 ]" 1
680 1 48 PHE HZ 1 90 ILE MD . 3.850 4.750 4.036 3.915 4.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 48 PHE HZ 1 90 ILE MG . 3.470 4.190 2.624 2.459 2.850 1.011 21 34 [*-******************+*************] 1
682 1 48 PHE HZ 1 100 PHE QB . 2.210 3.630 2.264 1.964 2.541 0.246 22 0 "[ . 1 . 2 . 3 ]" 1
683 1 48 PHE HZ 1 101 VAL H . 2.450 4.990 3.276 2.958 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 48 PHE HZ 1 101 VAL HA . 2.010 2.410 2.494 2.155 2.774 0.364 25 0 "[ . 1 . 2 . 3 ]" 1
685 1 48 PHE HZ 1 101 VAL HB . 3.560 4.820 4.899 4.604 5.096 0.276 25 0 "[ . 1 . 2 . 3 ]" 1
686 1 48 PHE HZ 1 101 VAL QG . . 7.000 3.430 3.145 3.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 48 PHE HZ 1 102 GLU H . 2.380 3.510 3.820 3.620 4.027 0.517 27 4 "[ . 1 . -** . + 3 ]" 1
688 1 49 ASP H 1 49 ASP QB . 2.970 3.190 2.731 2.721 2.746 0.249 16 0 "[ . 1 . 2 . 3 ]" 1
689 1 49 ASP H 1 50 PHE H . . 4.110 3.594 3.340 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 49 ASP HA 1 50 PHE H . 2.650 2.960 2.575 2.464 2.674 0.186 26 0 "[ . 1 . 2 . 3 ]" 1
691 1 49 ASP QB 1 50 PHE H . . 3.860 3.928 3.884 3.948 0.088 28 0 "[ . 1 . 2 . 3 ]" 1
692 1 50 PHE CG 1 50 PHE HA . . 2.620 2.788 2.770 2.820 0.200 24 0 "[ . 1 . 2 . 3 ]" 1
693 1 50 PHE HD1 1 51 SER H . . 5.380 4.039 3.947 4.128 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 50 PHE HD2 1 79 VAL QG . . 7.510 3.210 2.972 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 50 PHE CG 1 87 ALA MB . 3.210 3.500 2.445 2.179 2.999 1.031 26 26 "[***************** 2- * .+ ******]" 1
696 1 50 PHE HE2 1 79 VAL QG . . 5.390 2.126 1.912 2.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 50 PHE CZ 1 90 ILE MD . . 12.790 4.327 4.039 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 50 PHE HE1 1 90 ILE MG . . 4.910 3.091 2.516 3.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 50 PHE H 1 50 PHE QB . . 2.820 2.221 2.160 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 50 PHE H 1 51 SER H . . 4.250 4.389 4.238 4.538 0.288 29 0 "[ . 1 . 2 . 3 ]" 1
701 1 50 PHE H 1 52 VAL H . . 4.030 4.779 4.633 4.896 0.866 17 34 [****************+**************-**] 1
702 1 50 PHE H 1 87 ALA MB . . 7.640 4.558 4.073 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 50 PHE HA 1 50 PHE QB . . 2.730 2.476 2.454 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 50 PHE HA 1 51 SER H . 2.370 2.730 2.223 2.193 2.279 0.177 30 0 "[ . 1 . 2 . 3 ]" 1
705 1 50 PHE HA 1 52 VAL H . . 4.130 3.431 3.201 3.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 50 PHE HA 1 87 ALA MB . . 5.410 3.231 1.986 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 50 PHE QB 1 51 SER H . . 3.240 3.648 3.420 3.812 0.572 17 9 "[ - **1****.*+ 2 . 3 ]" 1
708 1 50 PHE QB 1 52 VAL H . . 3.050 2.484 2.309 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 50 PHE QB 1 87 ALA MB . . 4.750 2.454 1.955 2.785 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 50 PHE HZ 1 79 VAL QG . 3.760 5.530 2.535 2.346 2.766 1.414 8 34 [*******+***************-**********] 1
711 1 50 PHE HZ 1 90 ILE MD . 3.520 4.450 3.456 3.224 3.742 0.296 22 0 "[ . 1 . 2 . 3 ]" 1
712 1 50 PHE HZ 1 90 ILE MG . 2.940 3.170 2.815 2.526 3.101 0.414 28 0 "[ . 1 . 2 . 3 ]" 1
713 1 51 SER H 1 51 SER HB3 . . 3.130 2.541 2.375 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 51 SER H 1 52 VAL H . 2.790 3.150 2.974 2.759 3.187 0.037 33 0 "[ . 1 . 2 . 3 ]" 1
715 1 51 SER H 1 52 VAL QG . . 6.360 3.271 3.110 3.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 51 SER H 1 87 ALA MB . . 7.410 4.459 2.608 5.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 51 SER HA 1 51 SER HB3 . . 2.360 2.472 2.456 2.525 0.165 4 0 "[ . 1 . 2 . 3 ]" 1
718 1 51 SER HA 1 51 SER HB2 . . 2.530 2.465 2.417 2.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 51 SER HA 1 52 VAL H . 3.340 3.550 3.088 2.925 3.323 0.415 33 0 "[ . 1 . 2 . 3 ]" 1
720 1 52 VAL H 1 52 VAL HB . 3.340 3.930 3.760 3.683 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
721 1 52 VAL H 1 53 SER H . . 4.380 4.480 4.401 4.537 0.157 20 0 "[ . 1 . 2 . 3 ]" 1
722 1 52 VAL H 1 56 TYR QR . . 5.830 3.588 3.091 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 52 VAL H 1 87 ALA HA . . 4.420 4.210 3.562 5.204 0.784 24 8 "[ . 1 . -** * +* ** 3 ]" 1
724 1 52 VAL H 1 87 ALA MB . . 6.450 4.031 2.480 4.766 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 52 VAL HA 1 52 VAL HB . . 2.590 2.404 2.370 2.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 52 VAL HA 1 53 SER H . 2.330 2.830 2.381 2.308 2.448 0.022 34 0 "[ . 1 . 2 . 3 ]" 1
727 1 52 VAL HA 1 81 ASN QD . . 5.080 4.343 4.002 5.259 0.179 23 0 "[ . 1 . 2 . 3 ]" 1
728 1 52 VAL HA 1 85 GLN QB . . 5.080 3.638 3.064 4.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 52 VAL HB 1 53 SER H . 2.190 2.770 2.720 2.548 2.913 0.143 34 0 "[ . 1 . 2 . 3 ]" 1
730 1 52 VAL HB 1 81 ASN QD . . 3.240 2.161 1.715 3.387 0.147 23 0 "[ . 1 . 2 . 3 ]" 1
731 1 52 VAL QG 1 53 SER H . . 4.930 3.285 3.163 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
732 1 52 VAL QG 1 81 ASN QD . . 5.570 2.277 1.830 3.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 52 VAL QG 1 85 GLN H . . 6.830 4.181 3.815 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
734 1 52 VAL QG 1 85 GLN QE . . 5.840 3.719 3.131 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 52 VAL QG 1 85 GLN QB . 3.350 3.770 1.857 1.727 2.166 1.623 19 34 [***********-******+***************] 1
736 1 52 VAL QG 1 87 ALA HA . . 4.320 2.247 1.767 3.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 52 VAL QG 1 87 ALA MB . . 7.690 2.288 1.541 2.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
738 1 52 VAL QG 1 56 TYR HD1 . . 5.410 2.547 2.229 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
739 1 52 VAL QG 1 56 TYR HE1 . . 4.520 1.952 1.746 2.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 52 VAL QG 1 81 ASN H . . 5.940 3.810 2.678 4.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 52 VAL QG 1 86 LEU H . . 5.220 2.969 2.376 3.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 53 SER H 1 53 SER QB . . 2.960 2.294 2.148 2.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
743 1 53 SER H 1 81 ASN QD . . 4.240 3.918 3.702 4.309 0.069 26 0 "[ . 1 . 2 . 3 ]" 1
744 1 53 SER HA 1 53 SER QB . . 2.420 2.438 2.282 2.552 0.132 26 0 "[ . 1 . 2 . 3 ]" 1
745 1 53 SER HA 1 54 SER H . . 2.520 2.401 2.248 2.689 0.169 24 0 "[ . 1 . 2 . 3 ]" 1
746 1 53 SER QB 1 54 SER H . . 3.010 3.039 2.130 3.685 0.675 31 8 "[ *.- * 1** .** 2 . 3+ ]" 1
747 1 53 SER QB 1 81 ASN QD . . 4.380 4.866 4.538 4.999 0.619 26 18 "[****** -**** **** ** .+ 3 ]" 1
748 1 54 SER H 1 54 SER HA . 2.180 3.050 2.785 2.640 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
749 1 54 SER H 1 54 SER HB3 . 2.250 2.910 2.356 2.083 2.908 0.167 30 0 "[ . 1 . 2 . 3 ]" 1
750 1 54 SER H 1 54 SER HB2 . 2.300 5.430 3.500 3.373 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 54 SER H 1 55 PRO HA . 2.520 4.710 4.369 4.324 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 54 SER H 1 56 TYR QR . . 6.140 3.552 3.144 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 54 SER HA 1 54 SER HB3 . 2.190 2.890 2.592 2.324 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 54 SER HA 1 54 SER HB2 . . 2.850 2.384 2.295 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
755 1 54 SER HA 1 55 PRO HA . 2.490 3.980 2.428 2.309 2.494 0.181 28 0 "[ . 1 . 2 . 3 ]" 1
756 1 54 SER HA 1 56 TYR HE1 . . 4.970 3.343 3.000 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 54 SER HA 1 56 TYR H . . 3.550 3.369 3.114 3.705 0.155 34 0 "[ . 1 . 2 . 3 ]" 1
758 1 54 SER HB3 1 55 PRO HA . 2.670 3.370 3.022 2.547 3.200 0.123 29 0 "[ . 1 . 2 . 3 ]" 1
759 1 54 SER HB3 1 56 TYR CZ . . 4.600 3.802 3.451 4.143 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 54 SER HB3 1 56 TYR H . 3.840 4.180 4.287 4.028 4.529 0.349 25 0 "[ . 1 . 2 . 3 ]" 1
761 1 54 SER HB2 1 55 PRO HA . . 2.510 1.533 1.482 1.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
762 1 54 SER HB2 1 55 PRO QB . . 4.110 3.296 3.099 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 54 SER HB2 1 56 TYR CG . . 6.640 4.253 3.788 5.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 54 SER HB2 1 56 TYR CZ . . 6.200 4.720 4.251 5.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 54 SER HB2 1 56 TYR H . . 3.440 3.063 2.539 3.899 0.459 31 0 "[ . 1 . 2 . 3 ]" 1
766 1 55 PRO HA 1 55 PRO QG . . 2.840 3.496 3.495 3.497 0.657 12 34 [***********+********************-*] 1
767 1 55 PRO HA 1 56 TYR H . . 2.670 2.378 2.269 2.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 55 PRO QB 1 55 PRO QD . . 2.830 3.046 3.045 3.046 0.216 7 0 "[ . 1 . 2 . 3 ]" 1
769 1 55 PRO QB 1 56 TYR H . . 3.490 2.737 2.377 2.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 55 PRO QB 1 57 TYR QE . . 3.010 2.107 1.952 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 55 PRO QB 1 57 TYR HD1 . . 3.360 3.313 3.171 3.454 0.094 18 0 "[ . 1 . 2 . 3 ]" 1
772 1 55 PRO QD 1 55 PRO QG . . 2.490 1.972 1.972 1.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 55 PRO QD 1 82 GLU QB . . 2.980 3.214 2.607 4.334 1.354 26 8 "[ . 1 . 2 * .+ ****-*]" 1
774 1 56 TYR CG 1 79 VAL QG . 3.890 4.530 3.444 3.066 3.770 0.824 19 11 "[ * . - . *+*** ** ** 3 ]" 1
775 1 56 TYR HD1 1 81 ASN HA . . 3.910 3.959 3.827 4.069 0.159 31 0 "[ . 1 . 2 . 3 ]" 1
776 1 56 TYR HD1 1 81 ASN HB3 . . 3.300 3.657 2.650 3.966 0.666 28 15 "[ . ***1*-**. ** * * ** *+ 3 ]" 1
777 1 56 TYR HA 1 56 TYR HE1 . . 4.110 4.492 4.372 4.590 0.480 30 0 "[ . 1 . 2 . 3 ]" 1
778 1 56 TYR CZ 1 81 ASN HA . . 7.000 7.161 6.824 7.387 0.387 22 0 "[ . 1 . 2 . 3 ]" 1
779 1 56 TYR HE1 1 87 ALA MB . . 4.980 4.120 3.610 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 56 TYR H 1 56 TYR QB . 2.990 3.400 2.240 2.140 2.343 0.850 23 34 [**********************+**********-] 1
781 1 56 TYR H 1 57 TYR QR . . 7.600 3.820 3.471 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
782 1 56 TYR HA 1 57 TYR HD1 . . 4.240 4.156 3.880 4.460 0.220 23 0 "[ . 1 . 2 . 3 ]" 1
783 1 56 TYR HA 1 57 TYR H . 2.170 2.630 2.196 2.187 2.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 56 TYR HA 1 79 VAL QG . 3.920 4.340 3.234 2.936 3.521 0.984 28 32 "[-*************. ***********+******]" 1
785 1 56 TYR HA 1 81 ASN HA . 2.660 2.880 2.759 2.556 2.935 0.104 33 0 "[ . 1 . 2 . 3 ]" 1
786 1 56 TYR HA 1 81 ASN HB2 . 3.780 4.460 4.537 3.186 4.975 0.594 23 3 "[ . 1 . 2 + - * 3 ]" 1
787 1 56 TYR QB 1 79 VAL QG . 2.850 3.350 2.053 1.737 2.332 1.113 21 34 [********************+*-***********] 1
788 1 56 TYR QB 1 81 ASN HA . . 5.730 4.830 4.622 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 56 TYR QB 1 57 TYR H . 2.260 3.710 3.458 3.200 3.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 56 TYR QR 1 57 TYR H . . 6.370 3.860 3.691 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
791 1 56 TYR QR 1 81 ASN QD . . 6.970 3.698 3.220 4.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 56 TYR QR 1 87 ALA H . . 7.230 5.117 4.510 5.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 57 TYR HD2 1 80 PHE QD . . 3.470 3.118 2.593 3.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 57 TYR HD2 1 80 PHE CZ . . 5.410 2.548 2.285 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
795 1 57 TYR HD2 1 81 ASN HA . . 3.780 3.643 3.315 4.026 0.246 33 0 "[ . 1 . 2 . 3 ]" 1
796 1 57 TYR HA 1 57 TYR QE . . 3.970 4.478 4.416 4.520 0.550 23 21 "[ ** .**-********* 2* +** *3* *]" 1
797 1 57 TYR CZ 1 80 PHE CG . . 8.590 6.544 6.375 6.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 57 TYR QE 1 80 PHE QE . . 3.280 3.646 3.433 3.745 0.465 12 0 "[ . 1 . 2 . 3 ]" 1
799 1 57 TYR QE 1 81 ASN HA . . 6.830 3.802 3.558 4.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 57 TYR CZ 1 82 GLU HA . . 4.980 3.926 3.664 4.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 57 TYR CZ 1 82 GLU QG . . 6.140 4.558 2.745 6.379 0.239 31 0 "[ . 1 . 2 . 3 ]" 1
802 1 57 TYR H 1 57 TYR HB2 . . 3.920 2.360 2.297 2.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 57 TYR H 1 57 TYR HB3 . . 3.420 3.543 3.501 3.604 0.184 21 0 "[ . 1 . 2 . 3 ]" 1
804 1 57 TYR H 1 79 VAL QG . 3.460 6.770 3.083 2.661 3.335 0.799 25 5 "[ . 1 . - 2 * *+ * 3 ]" 1
805 1 57 TYR H 1 80 PHE QD . . 3.690 3.846 3.781 3.939 0.249 20 0 "[ . 1 . 2 . 3 ]" 1
806 1 57 TYR H 1 80 PHE H . 2.610 3.050 2.634 2.390 3.281 0.231 20 0 "[ . 1 . 2 . 3 ]" 1
807 1 57 TYR H 1 81 ASN H . . 3.360 3.963 3.872 4.090 0.730 25 34 [************************+**-******] 1
808 1 57 TYR H 1 81 ASN HA . . 3.790 2.570 2.302 2.909 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 57 TYR H 1 81 ASN HB3 . . 4.350 4.585 3.975 4.871 0.521 25 1 "[ . 1 . 2 + 3 ]" 1
810 1 57 TYR HA 1 58 GLU H . 2.260 2.550 2.209 2.187 2.301 0.073 28 0 "[ . 1 . 2 . 3 ]" 1
811 1 57 TYR HB2 1 80 PHE CG . 3.050 3.360 2.643 2.547 2.730 0.503 23 1 "[ . 1 . 2 + . 3 ]" 1
812 1 57 TYR HB3 1 58 GLU H . . 4.170 3.446 2.993 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 57 TYR HB3 1 80 PHE QE . . 4.460 2.609 2.326 2.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
814 1 57 TYR HB3 1 80 PHE HZ . . 5.030 2.993 2.669 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
815 1 57 TYR QR 1 58 GLU H . . 6.820 4.075 3.996 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 57 TYR QR 1 81 ASN H . . 7.760 4.168 3.763 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 57 TYR QR 1 82 GLU H . . 5.930 3.419 2.942 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 58 GLU H 1 58 GLU HA . 2.770 3.540 2.881 2.836 2.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
819 1 58 GLU H 1 58 GLU HB3 . 3.000 4.700 2.817 2.536 3.017 0.464 24 0 "[ . 1 . 2 . 3 ]" 1
820 1 58 GLU H 1 58 GLU HB2 . 3.490 3.700 3.622 3.568 3.705 0.005 33 0 "[ . 1 . 2 . 3 ]" 1
821 1 58 GLU H 1 58 GLU QG . 2.880 3.650 1.881 1.737 2.055 1.143 9 34 [****-***+*************************] 1
822 1 58 GLU H 1 59 TRP H . 2.640 6.130 4.557 4.478 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 58 GLU H 1 79 VAL QG . 3.570 5.710 3.649 3.211 3.994 0.359 28 0 "[ . 1 . 2 . 3 ]" 1
824 1 58 GLU HA 1 58 GLU HB3 . . 2.920 2.443 2.413 2.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
825 1 58 GLU HA 1 58 GLU HB2 . 2.370 2.840 2.497 2.434 2.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 58 GLU HA 1 59 TRP H . . 2.200 2.267 2.208 2.338 0.138 23 0 "[ . 1 . 2 . 3 ]" 1
827 1 58 GLU HA 1 59 TRP HA . 3.790 4.460 4.452 4.405 4.502 0.042 23 0 "[ . 1 . 2 . 3 ]" 1
828 1 58 GLU HA 1 79 VAL HA . 2.300 2.840 2.071 1.866 2.277 0.434 21 0 "[ . 1 . 2 . 3 ]" 1
829 1 58 GLU HA 1 79 VAL QG . 3.770 4.340 2.169 1.902 2.369 1.868 23 34 [**********************+*********-*] 1
830 1 58 GLU HA 1 80 PHE H . 2.220 3.100 3.575 3.426 3.789 0.689 22 12 "[ . 1 . ****+ ** ** ** -]" 1
831 1 58 GLU HB3 1 59 TRP H . . 4.150 4.148 4.000 4.270 0.120 29 0 "[ . 1 . 2 . 3 ]" 1
832 1 58 GLU HB2 1 59 TRP H . . 3.510 3.132 2.872 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 58 GLU HB2 1 79 VAL QG . 3.240 4.310 2.855 2.594 3.119 0.646 15 5 "[ * . *1 + 2* - . 3 ]" 1
834 1 58 GLU QG 1 59 TRP H . . 6.040 4.345 4.057 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
835 1 59 TRP H 1 59 TRP HB3 . 2.190 3.100 2.858 2.674 3.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 59 TRP H 1 59 TRP HB2 . 2.420 3.270 3.527 3.374 3.605 0.335 28 0 "[ . 1 . 2 . 3 ]" 1
837 1 59 TRP H 1 59 TRP HD1 . . 5.200 4.743 4.491 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
838 1 59 TRP H 1 60 PRO HA . . 5.580 4.609 4.480 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 59 TRP H 1 77 ARG HA . 3.310 5.160 4.550 4.168 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
840 1 59 TRP H 1 77 ARG QD . . 4.440 4.287 3.290 5.234 0.794 32 1 "[ . 1 . 2 . 3 + ]" 1
841 1 59 TRP H 1 77 ARG QB . . 4.110 3.345 2.917 3.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 59 TRP H 1 78 VAL H . 2.750 3.480 2.913 2.557 3.247 0.193 19 0 "[ . 1 . 2 . 3 ]" 1
843 1 59 TRP H 1 78 VAL HA . . 5.250 4.457 4.246 4.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
844 1 59 TRP H 1 78 VAL MG2 . . 5.580 3.463 2.486 4.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 59 TRP H 1 79 VAL HA . . 3.260 3.170 2.851 3.442 0.182 19 0 "[ . 1 . 2 . 3 ]" 1
846 1 59 TRP H 1 79 VAL QG . 2.970 4.070 3.142 2.921 3.337 0.049 28 0 "[ . 1 . 2 . 3 ]" 1
847 1 59 TRP H 1 80 PHE QE . . 4.630 4.428 3.974 4.759 0.129 26 0 "[ . 1 . 2 . 3 ]" 1
848 1 59 TRP HA 1 59 TRP HB2 . 2.390 2.550 2.353 2.320 2.383 0.070 9 0 "[ . 1 . 2 . 3 ]" 1
849 1 59 TRP HA 1 59 TRP HE3 . . 3.500 2.847 2.672 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
850 1 59 TRP HA 1 60 PRO HD3 . . 3.130 1.959 1.932 1.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
851 1 59 TRP HA 1 60 PRO HD2 . . 2.800 2.593 2.481 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
852 1 59 TRP HB3 1 59 TRP HD1 . 2.750 2.860 2.684 2.653 2.726 0.097 24 0 "[ . 1 . 2 . 3 ]" 1
853 1 59 TRP HB3 1 78 VAL H . 3.270 6.000 3.906 3.559 4.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
854 1 59 TRP HB3 1 78 VAL MG2 . . 5.300 2.798 1.946 3.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
855 1 59 TRP HB3 1 80 PHE QE . . 3.120 2.903 2.632 3.294 0.174 33 0 "[ . 1 . 2 . 3 ]" 1
856 1 59 TRP HB2 1 59 TRP HE1 . . 4.890 5.382 5.366 5.398 0.508 4 7 "[ +** *1 *- 2 . 3* ]" 1
857 1 59 TRP HB2 1 59 TRP HE3 . 2.740 3.040 2.589 2.512 2.660 0.228 4 0 "[ . 1 . 2 . 3 ]" 1
858 1 59 TRP HB2 1 78 VAL H . . 5.360 5.193 4.921 5.509 0.149 27 0 "[ . 1 . 2 . 3 ]" 1
859 1 59 TRP HB2 1 80 PHE QE . . 2.860 2.531 2.181 2.884 0.024 31 0 "[ . 1 . 2 . 3 ]" 1
860 1 59 TRP HD1 1 78 VAL MG2 . . 4.610 2.736 1.859 3.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
861 1 59 TRP HD1 1 80 PHE CG . . 6.310 6.694 6.323 6.931 0.621 13 9 "[ .* * 1**+-* 2 * .* 3 ]" 1
862 1 59 TRP HE1 1 61 ILE MD . . 7.000 6.096 5.907 6.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
863 1 59 TRP HE1 1 67 VAL HA . . 4.200 3.332 3.111 3.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
864 1 59 TRP HE1 1 67 VAL QG . 3.890 5.160 3.491 3.139 3.677 0.751 33 6 "[ . * 1 .- 2 .* 3 *+*]" 1
865 1 59 TRP HE1 1 68 TYR QB . . 5.820 3.560 3.055 4.032 . 0 0 "[ . 1 . 2 . 3 ]" 1
866 1 59 TRP HE3 1 60 PRO HD3 . . 4.580 3.159 2.941 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
867 1 59 TRP HE3 1 60 PRO HD2 . . 3.660 2.782 2.615 3.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
868 1 59 TRP HH2 1 68 TYR QB . 3.350 4.930 3.279 2.469 3.815 0.881 28 7 "[- . 1 ** 2 ** + 3 *]" 1
869 1 59 TRP HH2 1 69 SER H . . 4.800 5.108 4.915 5.256 0.456 11 0 "[ . 1 . 2 . 3 ]" 1
870 1 59 TRP HZ2 1 62 LEU QD . . 5.210 4.237 4.055 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 59 TRP HZ2 1 67 VAL QG . 2.690 7.130 1.875 1.815 2.013 0.875 8 34 [*******+**************-***********] 1
872 1 59 TRP HZ2 1 68 TYR H . . 3.510 2.219 1.813 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
873 1 59 TRP HZ2 1 68 TYR HA . . 4.090 4.305 4.170 4.534 0.444 21 0 "[ . 1 . 2 . 3 ]" 1
874 1 59 TRP HZ2 1 68 TYR QB . 2.420 3.030 2.629 2.339 3.010 0.081 23 0 "[ . 1 . 2 . 3 ]" 1
875 1 60 PRO HA 1 60 PRO HB3 . 2.620 3.370 2.303 2.301 2.304 0.319 11 0 "[ . 1 . 2 . 3 ]" 1
876 1 60 PRO HA 1 60 PRO HG3 . . 3.770 3.880 3.879 3.882 0.112 18 0 "[ . 1 . 2 . 3 ]" 1
877 1 60 PRO HA 1 61 ILE H . . 2.210 2.262 2.174 2.326 0.116 8 0 "[ . 1 . 2 . 3 ]" 1
878 1 60 PRO HA 1 61 ILE MG . . 5.520 3.805 3.499 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
879 1 60 PRO HA 1 77 ARG HA . . 2.610 1.754 1.382 2.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
880 1 60 PRO HA 1 77 ARG QD . . 2.880 2.244 1.843 2.690 . 0 0 "[ . 1 . 2 . 3 ]" 1
881 1 60 PRO HA 1 77 ARG QB . . 3.570 3.027 2.672 3.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
882 1 60 PRO HA 1 78 VAL H . . 4.120 2.983 2.655 3.200 . 0 0 "[ . 1 . 2 . 3 ]" 1
883 1 60 PRO HB3 1 60 PRO HD3 . . 3.450 3.534 3.532 3.535 0.085 32 0 "[ . 1 . 2 . 3 ]" 1
884 1 60 PRO HB3 1 68 TYR H . . 5.960 6.345 6.116 6.623 0.663 4 7 "[ +. 1 . - 2 * .** 3** ]" 1
885 1 60 PRO HB3 1 68 TYR QB . 2.620 3.780 3.961 3.801 4.083 0.303 28 0 "[ . 1 . 2 . 3 ]" 1
886 1 60 PRO HB2 1 61 ILE H . . 3.750 3.204 3.003 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
887 1 60 PRO HB2 1 62 LEU QD . 3.940 5.120 3.626 3.000 4.136 0.940 24 12 "[ .* *1*** * 2- +* * 3** ]" 1
888 1 60 PRO HB2 1 73 PRO HA . 3.400 4.540 4.190 3.630 4.724 0.184 25 0 "[ . 1 . 2 . 3 ]" 1
889 1 60 PRO HB2 1 77 ARG HA . 2.570 4.820 4.277 3.920 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
890 1 60 PRO HD3 1 60 PRO HG2 . . 3.060 2.910 2.909 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
891 1 60 PRO HG2 1 73 PRO QB . . 3.660 2.954 2.547 3.690 0.030 24 0 "[ . 1 . 2 . 3 ]" 1
892 1 60 PRO HG3 1 73 PRO QB . . 3.490 2.741 2.138 3.513 0.023 24 0 "[ . 1 . 2 . 3 ]" 1
893 1 61 ILE H 1 61 ILE HB . . 3.410 2.908 2.681 3.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
894 1 61 ILE H 1 61 ILE MG . . 4.550 2.055 1.808 2.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
895 1 61 ILE H 1 62 LEU H . . 4.180 4.308 4.206 4.425 0.245 7 0 "[ . 1 . 2 . 3 ]" 1
896 1 61 ILE H 1 76 ASP HB2 . . 4.610 3.069 2.476 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
897 1 61 ILE H 1 77 ARG H . . 4.860 4.087 3.661 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
898 1 61 ILE H 1 77 ARG HA . 2.450 4.390 2.340 2.007 2.654 0.443 13 0 "[ . 1 . 2 . 3 ]" 1
899 1 61 ILE H 1 77 ARG QD . . 3.850 3.748 2.756 4.283 0.433 26 0 "[ . 1 . 2 . 3 ]" 1
900 1 61 ILE HA 1 61 ILE HB . 2.060 2.320 2.487 2.404 2.567 0.247 21 0 "[ . 1 . 2 . 3 ]" 1
901 1 61 ILE HA 1 61 ILE QG . . 2.940 2.270 2.157 2.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
902 1 61 ILE HA 1 61 ILE MG . 2.900 4.600 3.208 3.195 3.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
903 1 61 ILE HA 1 62 LEU H . . 2.890 2.182 2.176 2.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
904 1 61 ILE HB 1 78 VAL H . . 3.240 3.355 2.974 3.743 0.503 20 1 "[ . 1 . + . 3 ]" 1
905 1 61 ILE QG 1 62 LEU H . . 3.210 2.948 2.665 3.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
906 1 61 ILE MD 1 61 ILE MG . 3.400 3.620 2.023 1.829 2.385 1.571 11 34 [**********+********-**************] 1
907 1 61 ILE MD 1 78 VAL HA . . 5.750 4.266 3.695 4.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
908 1 61 ILE MD 1 78 VAL MG2 . . 7.020 3.394 2.640 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
909 1 61 ILE MG 1 62 LEU H . . 6.650 4.054 3.826 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
910 1 61 ILE MG 1 63 SER H . . 6.680 4.440 4.175 4.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
911 1 61 ILE MG 1 76 ASP HB3 . . 3.560 1.900 1.673 2.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
912 1 61 ILE MG 1 76 ASP HB2 . . 4.580 2.269 1.829 2.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
913 1 61 ILE MG 1 77 ARG H . . 4.660 2.984 2.633 3.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
914 1 61 ILE MG 1 77 ARG HA . 3.440 4.010 2.997 2.548 3.435 0.892 2 14 "[ + *-* *1*** * 2 * . ** * *]" 1
915 1 61 ILE MG 1 78 VAL H . 3.670 4.800 3.929 3.567 4.350 0.103 4 0 "[ . 1 . 2 . 3 ]" 1
916 1 61 ILE MG 1 78 VAL MG1 . . 5.750 2.763 1.910 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
917 1 61 ILE MG 1 89 VAL QG . . 6.000 2.876 2.401 3.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
918 1 62 LEU H 1 62 LEU QB . 2.700 3.260 2.329 2.239 2.447 0.461 20 0 "[ . 1 . 2 . 3 ]" 1
919 1 62 LEU H 1 62 LEU HG . 2.790 3.270 2.673 2.364 2.997 0.426 11 0 "[ . 1 . 2 . 3 ]" 1
920 1 62 LEU H 1 65 GLY H . . 4.010 4.161 3.823 4.373 0.363 23 0 "[ . 1 . 2 . 3 ]" 1
921 1 62 LEU H 1 66 ASP H . . 3.750 3.897 3.780 4.067 0.317 23 0 "[ . 1 . 2 . 3 ]" 1
922 1 62 LEU H 1 67 VAL HA . . 4.950 4.979 4.717 5.199 0.249 21 0 "[ . 1 . 2 . 3 ]" 1
923 1 62 LEU HA 1 62 LEU HG . . 3.790 2.928 2.722 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
924 1 62 LEU HA 1 62 LEU QD . 3.060 3.270 2.092 1.929 2.350 1.131 8 34 [*******+*********************-****] 1
925 1 62 LEU HA 1 63 SER H . 2.170 2.520 2.181 2.176 2.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
926 1 62 LEU QB 1 63 SER H . 3.500 3.700 3.364 3.268 3.449 0.232 10 0 "[ . 1 . 2 . 3 ]" 1
927 1 62 LEU QB 1 64 SER H . . 3.060 2.414 2.266 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
928 1 62 LEU QB 1 65 GLY H . 3.250 3.810 2.817 2.593 2.918 0.657 9 1 "[ . +1 . 2 . 3 ]" 1
929 1 62 LEU QB 1 66 ASP H . . 4.180 1.954 1.839 2.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
930 1 62 LEU QB 1 68 TYR H . . 5.280 4.300 4.176 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
931 1 62 LEU QB 1 62 LEU HG . . 2.800 2.409 2.359 2.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
932 1 62 LEU HG 1 68 TYR H . . 6.280 3.209 2.845 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
933 1 62 LEU QD 1 64 SER H . . 5.660 3.695 3.536 3.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
934 1 62 LEU QD 1 65 GLY H . . 7.120 4.248 4.099 4.348 . 0 0 "[ . 1 . 2 . 3 ]" 1
935 1 62 LEU QD 1 66 ASP H . 3.590 3.610 2.944 2.699 3.137 0.891 21 30 "[***-****** ********+** ******* **]" 1
936 1 62 LEU QD 1 67 VAL H . . 4.400 3.010 2.635 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
937 1 62 LEU QD 1 68 TYR H . . 5.910 2.484 2.181 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
938 1 62 LEU QD 1 68 TYR HA . . 4.480 1.874 1.634 2.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
939 1 62 LEU QD 1 68 TYR QB . . 6.410 2.761 2.465 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
940 1 62 LEU QD 1 69 SER H . 2.860 4.960 3.466 2.842 3.794 0.018 32 0 "[ . 1 . 2 . 3 ]" 1
941 1 62 LEU QD 1 63 SER H . 3.670 4.260 3.461 3.070 3.678 0.600 10 1 "[ . + . 2 . 3 ]" 1
942 1 62 LEU QD 1 73 PRO HA . . 4.470 3.711 2.454 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
943 1 63 SER H 1 63 SER HA . 2.650 3.770 2.757 2.717 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
944 1 63 SER H 1 63 SER QB . . 2.970 2.298 1.996 2.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
945 1 63 SER H 1 64 SER H . 3.100 3.820 2.717 2.666 2.791 0.434 22 0 "[ . 1 . 2 . 3 ]" 1
946 1 63 SER HA 1 63 SER QB . . 2.800 2.352 2.179 2.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
947 1 64 SER H 1 64 SER HA . . 3.060 2.873 2.831 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
948 1 64 SER H 1 64 SER QB . . 2.920 2.426 2.121 2.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
949 1 64 SER H 1 65 GLY H . . 2.950 2.268 2.011 2.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
950 1 64 SER HA 1 64 SER QB . . 2.390 2.409 2.258 2.528 0.138 7 0 "[ . 1 . 2 . 3 ]" 1
951 1 64 SER HA 1 65 GLY H . 3.430 4.470 3.436 3.343 3.482 0.087 20 0 "[ . 1 . 2 . 3 ]" 1
952 1 64 SER HA 1 66 ASP H . . 5.360 5.007 4.899 5.109 . 0 0 "[ . 1 . 2 . 3 ]" 1
953 1 64 SER QB 1 66 ASP H . . 4.030 3.296 3.092 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
954 1 65 GLY H 1 65 GLY HA2 . . 2.950 2.279 2.255 2.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
955 1 65 GLY H 1 65 GLY HA3 . . 2.700 2.885 2.839 2.910 0.210 2 0 "[ . 1 . 2 . 3 ]" 1
956 1 65 GLY H 1 66 ASP H . 2.410 3.160 2.401 2.293 2.578 0.117 2 0 "[ . 1 . 2 . 3 ]" 1
957 1 65 GLY HA2 1 66 ASP H . . 3.680 2.942 2.884 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
958 1 65 GLY HA3 1 66 ASP H . . 3.530 3.603 3.583 3.618 0.088 10 0 "[ . 1 . 2 . 3 ]" 1
959 1 66 ASP H 1 66 ASP QB . 2.390 2.520 2.380 2.285 2.475 0.105 13 0 "[ . 1 . 2 . 3 ]" 1
960 1 66 ASP HA 1 67 VAL H . 2.880 3.340 2.822 2.736 2.938 0.144 11 0 "[ . 1 . 2 . 3 ]" 1
961 1 67 VAL H 1 67 VAL HB . . 2.630 2.368 2.299 2.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
962 1 67 VAL H 1 68 TYR H . . 4.520 4.227 4.031 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
963 1 67 VAL HA 1 67 VAL QG . 2.810 3.220 2.031 1.989 2.099 0.821 23 34 [**********************+********-**] 1
964 1 67 VAL HA 1 68 TYR H . . 2.680 2.197 2.183 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
965 1 67 VAL HB 1 68 TYR H . . 4.650 4.543 4.393 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
966 1 67 VAL QG 1 68 TYR H . 3.160 3.710 3.039 2.780 3.219 0.380 20 0 "[ . 1 . 2 . 3 ]" 1
967 1 68 TYR H 1 68 TYR QB . 2.450 2.940 2.011 1.843 2.126 0.607 8 8 "[ . *+ 1 . **** . - 3 * ]" 1
968 1 68 TYR H 1 69 SER H . 3.490 4.950 4.502 4.225 4.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
969 1 68 TYR QB 1 69 SER H . 3.840 4.430 3.719 3.272 4.098 0.568 9 5 "[ . +1 ** * 2 . - 3 ]" 1
970 1 69 SER H 1 70 GLY H . 2.360 2.890 2.619 1.932 3.143 0.428 15 0 "[ . 1 . 2 . 3 ]" 1
971 1 69 SER H 1 70 GLY QA . . 4.270 4.070 3.651 4.577 0.307 25 0 "[ . 1 . 2 . 3 ]" 1
972 1 69 SER HA 1 69 SER HB3 . 2.400 2.800 2.482 2.377 2.643 0.023 34 0 "[ . 1 . 2 . 3 ]" 1
973 1 69 SER HA 1 69 SER HB2 . . 2.580 2.463 2.329 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
974 1 69 SER HA 1 70 GLY H . 2.630 3.210 3.096 2.471 3.648 0.438 30 0 "[ . 1 . 2 . 3 ]" 1
975 1 70 GLY QA 1 71 GLY H . . 3.800 2.348 2.169 2.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
976 1 72 SER HA 1 73 PRO QD . . 2.320 2.167 1.914 2.527 0.207 32 0 "[ . 1 . 2 . 3 ]" 1
977 1 72 SER HA 1 73 PRO QG . . 4.390 4.115 3.864 4.465 0.075 32 0 "[ . 1 . 2 . 3 ]" 1
978 1 72 SER HA 1 74 GLY H . 3.590 4.920 3.895 2.987 5.531 0.611 32 4 "[ . 1-** . 2 . 3 + ]" 1
979 1 73 PRO QB 1 74 GLY H . . 4.730 3.204 1.690 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
980 1 73 PRO QG 1 74 GLY H . 3.010 5.010 3.184 2.173 4.702 0.837 29 13 "[* - * * 1 *. * 2 * .** +*** ]" 1
981 1 74 GLY H 1 74 GLY QA . . 2.520 2.299 2.155 2.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
982 1 74 GLY H 1 75 ALA H . . 4.050 3.960 1.934 4.490 0.440 25 0 "[ . 1 . 2 . 3 ]" 1
983 1 74 GLY QA 1 75 ALA H . . 2.690 2.301 2.170 2.988 0.298 10 0 "[ . 1 . 2 . 3 ]" 1
984 1 74 GLY QA 1 76 ASP H . . 4.050 3.933 3.050 5.338 1.288 32 6 "[ *.- 1 . 2 .* 3*+* ]" 1
985 1 75 ALA H 1 75 ALA HA . 2.990 3.570 2.721 2.212 2.941 0.778 17 3 "[ . - *. + 2 . 3 ]" 1
986 1 75 ALA H 1 76 ASP H . . 3.440 2.581 1.569 3.845 0.405 26 0 "[ . 1 . 2 . 3 ]" 1
987 1 75 ALA H 1 76 ASP HB2 . . 5.010 4.895 3.866 5.824 0.814 26 9 "[ *. 1 *. * 2 *-+ 3*** ]" 1
988 1 75 ALA H 1 92 HIS H . . 4.000 4.116 2.499 4.767 0.767 22 15 "[ ** * **** .* -***+ . ** 3 ]" 1
989 1 75 ALA HA 1 75 ALA MB . 2.440 2.760 2.137 2.108 2.151 0.332 14 0 "[ . 1 . 2 . 3 ]" 1
990 1 75 ALA HA 1 92 HIS HD2 . . 2.990 3.198 2.922 3.662 0.672 13 2 "[ . 1 + . 2 - 3 ]" 1
991 1 75 ALA MB 1 76 ASP H . . 5.440 2.477 1.834 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
992 1 75 ALA MB 1 77 ARG HG2 . . 4.510 4.720 4.494 5.030 0.520 6 1 "[ .+ 1 . 2 . 3 ]" 1
993 1 75 ALA MB 1 92 HIS H . . 3.940 2.221 1.508 3.565 . 0 0 "[ . 1 . 2 . 3 ]" 1
994 1 75 ALA MB 1 92 HIS HA . . 7.970 4.203 3.336 5.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
995 1 75 ALA MB 1 92 HIS HB3 . . 5.260 3.463 2.884 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
996 1 75 ALA MB 1 92 HIS HB2 . . 3.840 2.125 1.385 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
997 1 75 ALA MB 1 93 THR H . 3.820 4.720 3.467 2.699 4.587 1.121 18 22 "[*** - **** *** +***** . **** *]" 1
998 1 76 ASP H 1 76 ASP HB3 . . 3.740 3.560 3.471 3.768 0.028 12 0 "[ . 1 . 2 . 3 ]" 1
999 1 76 ASP H 1 76 ASP HB2 . 2.760 3.120 2.725 2.494 2.916 0.266 31 0 "[ . 1 . 2 . 3 ]" 1
1000 1 76 ASP H 1 91 THR HB . . 5.490 4.456 4.050 5.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
1001 1 76 ASP HA 1 76 ASP HB3 . 2.610 2.730 2.425 2.344 2.570 0.266 7 0 "[ . 1 . 2 . 3 ]" 1
1002 1 76 ASP HA 1 77 ARG H . 2.600 2.730 2.275 2.252 2.313 0.348 24 0 "[ . 1 . 2 . 3 ]" 1
1003 1 76 ASP HA 1 91 THR H . . 5.040 5.096 4.810 5.279 0.239 31 0 "[ . 1 . 2 . 3 ]" 1
1004 1 76 ASP HA 1 91 THR HA . 2.700 2.820 2.778 2.567 2.940 0.133 3 0 "[ . 1 . 2 . 3 ]" 1
1005 1 76 ASP HA 1 91 THR HB . . 3.700 2.387 1.880 2.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
1006 1 76 ASP HA 1 91 THR MG . . 6.260 4.066 3.678 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
1007 1 76 ASP HA 1 92 HIS H . 3.070 3.920 4.210 3.901 4.410 0.490 1 0 "[ . 1 . 2 . 3 ]" 1
1008 1 76 ASP HB3 1 77 ARG H . 3.140 3.250 3.354 3.208 3.618 0.368 24 0 "[ . 1 . 2 . 3 ]" 1
1009 1 76 ASP HB3 1 91 THR HA . . 6.020 5.184 4.871 5.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
1010 1 76 ASP HB2 1 77 ARG H . . 5.480 4.048 3.750 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
1011 1 77 ARG H 1 77 ARG HG3 . . 4.530 3.986 3.760 4.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
1012 1 77 ARG H 1 77 ARG QB . 3.430 4.010 2.868 2.733 2.979 0.697 25 26 "[* *-* * 1****.*********+****** * ]" 1
1013 1 77 ARG H 1 78 VAL H . . 6.050 4.313 4.170 4.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
1014 1 77 ARG H 1 89 VAL HA . . 3.960 4.262 3.903 4.519 0.559 13 2 "[ . 1 -+ . 2 . 3 ]" 1
1015 1 77 ARG H 1 89 VAL QG . . 5.420 3.640 3.236 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
1016 1 77 ARG H 1 90 ILE H . 3.220 4.110 3.795 3.331 4.233 0.123 21 0 "[ . 1 . 2 . 3 ]" 1
1017 1 77 ARG H 1 90 ILE HA . . 5.930 4.904 4.692 5.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
1018 1 77 ARG H 1 90 ILE HG12 . . 3.680 3.192 2.794 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
1019 1 77 ARG H 1 90 ILE HG13 . . 4.460 4.254 3.609 5.044 0.584 22 5 "[ . 1 . -2*+ *. * 3 ]" 1
1020 1 77 ARG H 1 91 THR HA . 3.540 3.670 3.362 2.996 3.648 0.544 22 2 "[ . 1 . 2 + . - 3 ]" 1
1021 1 77 ARG H 1 91 THR HB . . 4.720 3.691 3.159 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
1022 1 77 ARG H 1 100 PHE HE1 . . 4.940 5.028 4.424 5.358 0.418 17 0 "[ . 1 . 2 . 3 ]" 1
1023 1 77 ARG HA 1 77 ARG QD . . 3.040 2.745 1.919 2.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
1024 1 77 ARG HA 1 77 ARG QB . 2.330 3.460 2.367 2.320 2.462 0.010 15 0 "[ . 1 . 2 . 3 ]" 1
1025 1 77 ARG HA 1 78 VAL H . 2.030 2.300 2.328 2.259 2.393 0.093 20 0 "[ . 1 . 2 . 3 ]" 1
1026 1 77 ARG QD 1 78 VAL H . . 4.380 3.973 3.665 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
1027 1 77 ARG HG2 1 100 PHE CZ . . 5.650 4.724 3.626 5.173 . 0 0 "[ . 1 . 2 . 3 ]" 1
1028 1 77 ARG HG3 1 92 HIS HD2 . . 3.750 3.266 2.433 4.325 0.575 8 1 "[ . + 1 . 2 . 3 ]" 1
1029 1 77 ARG HG3 1 100 PHE QD . . 3.190 3.556 2.936 4.078 0.888 32 12 "[ -.* * 1*** . 2 *.* *3*+* ]" 1
1030 1 77 ARG QB 1 90 ILE H . . 4.380 3.726 3.531 3.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
1031 1 77 ARG QB 1 90 ILE HG13 . . 4.140 2.449 1.941 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
1032 1 77 ARG QB 1 90 ILE MD . . 5.560 2.387 2.109 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
1033 1 77 ARG QB 1 100 PHE QD . . 4.840 3.766 3.376 4.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
1034 1 77 ARG HG2 1 77 ARG QH1 . . 4.620 2.698 1.900 4.084 . 0 0 "[ . 1 . 2 . 3 ]" 1
1035 1 73 PRO QD 1 77 ARG QH1 . . 4.530 2.777 1.753 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
1036 1 77 ARG HG2 1 77 ARG QH2 . . 4.600 4.668 4.217 5.056 0.456 24 0 "[ . 1 . 2 . 3 ]" 1
1037 1 73 PRO HA 1 77 ARG QH2 . . 4.240 5.598 2.058 6.597 2.357 27 33 "[**************************+**** *-]" 1
1038 1 73 PRO QD 1 77 ARG QH2 . . 3.750 2.911 2.188 4.786 1.036 32 1 "[ . 1 . 2 . 3 + ]" 1
1039 1 73 PRO QG 1 77 ARG QH2 . . 5.820 3.327 2.359 5.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
1040 1 78 VAL H 1 78 VAL HB . 2.610 3.220 3.470 3.116 3.696 0.476 18 0 "[ . 1 . 2 . 3 ]" 1
1041 1 78 VAL H 1 78 VAL MG2 . . 4.790 2.722 1.792 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
1042 1 78 VAL H 1 79 VAL QG . 2.880 6.680 4.193 3.879 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
1043 1 78 VAL H 1 89 VAL QG . . 8.710 4.927 4.516 5.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
1044 1 78 VAL HA 1 78 VAL HB . 2.110 2.460 2.404 2.208 2.703 0.243 8 0 "[ . 1 . 2 . 3 ]" 1
1045 1 78 VAL HA 1 79 VAL H . . 2.700 2.263 2.187 2.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
1046 1 78 VAL HA 1 79 VAL HA . 3.970 5.860 4.388 4.362 4.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
1047 1 78 VAL HA 1 79 VAL QG . . 5.430 3.532 3.306 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
1048 1 78 VAL HA 1 88 GLY H . . 5.150 4.237 3.638 4.392 . 0 0 "[ . 1 . 2 . 3 ]" 1
1049 1 78 VAL HA 1 89 VAL HA . . 2.780 2.593 2.048 2.875 0.095 29 0 "[ . 1 . 2 . 3 ]" 1
1050 1 78 VAL HA 1 89 VAL QG . . 5.030 3.211 2.785 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
1051 1 78 VAL HA 1 90 ILE H . 3.800 4.840 3.377 3.192 3.566 0.608 2 6 "[ + * -*1 . * 2 . 3* ]" 1
1052 1 78 VAL HB 1 79 VAL H . 3.050 3.810 3.438 2.810 4.046 0.240 22 0 "[ . 1 . 2 . 3 ]" 1
1053 1 78 VAL HB 1 86 LEU MD1 . . 4.880 3.258 1.582 5.067 0.187 33 0 "[ . 1 . 2 . 3 ]" 1
1054 1 78 VAL MG2 1 79 VAL H . . 5.110 3.317 2.355 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
1055 1 78 VAL MG2 1 80 PHE QD . . 5.050 3.452 2.219 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
1056 1 78 VAL MG2 1 80 PHE QE . . 5.850 4.531 3.486 5.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
1057 1 78 VAL MG2 1 80 PHE H . . 5.940 4.435 2.507 5.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
1058 1 78 VAL MG2 1 89 VAL QG . . 6.250 3.955 3.415 4.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
1059 1 79 VAL H 1 79 VAL HA . 2.500 3.440 2.933 2.916 2.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
1060 1 79 VAL H 1 79 VAL HB . . 3.120 2.495 2.353 2.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
1061 1 79 VAL H 1 79 VAL QG . 2.460 4.870 2.757 2.608 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
1062 1 79 VAL H 1 87 ALA H . 2.740 3.100 3.213 2.425 3.645 0.545 6 2 "[ -.+ 1 . 2 . 3 ]" 1
1063 1 79 VAL H 1 87 ALA MB . 3.080 3.570 3.647 3.291 4.322 0.752 20 9 "[ . 1 . **+** ** *- 3 ]" 1
1064 1 79 VAL H 1 88 GLY H . 3.070 3.200 2.499 1.457 2.782 1.613 20 9 "[ . 1 . **+** ** *- 3 ]" 1
1065 1 79 VAL H 1 90 ILE H . . 5.270 4.149 3.792 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
1066 1 79 VAL HA 1 79 VAL QG . 2.760 3.080 2.137 2.080 2.186 0.680 14 34 [*************+*******-************] 1
1067 1 79 VAL HA 1 80 PHE QD . . 4.610 2.938 2.707 3.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
1068 1 79 VAL HA 1 80 PHE H . . 2.150 2.234 2.181 2.378 0.228 19 0 "[ . 1 . 2 . 3 ]" 1
1069 1 79 VAL HA 1 80 PHE HA . 3.190 5.470 4.406 4.369 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
1070 1 79 VAL HA 1 90 ILE MD . . 4.450 4.190 3.964 4.640 0.190 24 0 "[ . 1 . 2 . 3 ]" 1
1071 1 79 VAL HB 1 87 ALA H . 2.130 3.040 3.451 3.255 3.778 0.738 21 9 "[ . 1 . ***+* -* ** 3 ]" 1
1072 1 79 VAL HB 1 87 ALA MB . . 4.940 2.426 1.806 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
1073 1 79 VAL HB 1 88 GLY H . 2.160 2.420 2.814 1.881 3.236 0.816 16 25 "[*****-*********+* 2 * .* ******]" 1
1074 1 79 VAL QG 1 80 PHE H . 3.540 5.080 2.539 2.185 3.524 1.355 17 30 "[****************+ 2 *****-*******]" 1
1075 1 79 VAL QG 1 80 PHE HA . . 6.550 3.422 3.202 3.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
1076 1 79 VAL QG 1 87 ALA H . . 5.470 3.377 2.995 4.024 . 0 0 "[ . 1 . 2 . 3 ]" 1
1077 1 79 VAL QG 1 87 ALA MB . . 5.810 2.232 1.619 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
1078 1 79 VAL QG 1 88 GLY H . . 5.980 3.572 2.841 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
1079 1 79 VAL QG 1 90 ILE MD . . 3.740 1.718 1.599 2.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
1080 1 79 VAL QG 1 90 ILE HG12 . . 5.310 3.453 2.737 4.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
1081 1 79 VAL QG 1 90 ILE HG13 . . 4.190 4.001 3.686 4.356 0.166 24 0 "[ . 1 . 2 . 3 ]" 1
1082 1 79 VAL QG 1 90 ILE MG . . 6.870 2.304 1.942 2.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
1083 1 79 VAL QG 1 100 PHE CZ . . 9.630 5.568 5.117 5.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
1084 1 80 PHE CG 1 80 PHE H . 2.980 4.850 2.895 2.581 3.141 0.399 21 0 "[ . 1 . 2 . 3 ]" 1
1085 1 80 PHE QD 1 81 ASN H . . 5.060 2.570 2.103 3.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
1086 1 80 PHE CG 1 81 ASN HA . . 6.140 4.469 4.355 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
1087 1 80 PHE CG 1 84 ASN HA . 3.940 5.930 5.146 4.823 6.094 0.164 23 0 "[ . 1 . 2 . 3 ]" 1
1088 1 80 PHE H 1 80 PHE QE . . 6.400 3.910 3.691 4.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
1089 1 80 PHE QE 1 82 GLU HA . . 5.130 4.062 3.427 5.800 0.670 23 1 "[ . 1 . 2 + . 3 ]" 1
1090 1 80 PHE QE 1 84 ASN H . . 4.460 5.018 4.605 5.666 1.206 33 12 "[ . *-1 * . 2 * ** ****+*]" 1
1091 1 80 PHE H 1 80 PHE HA . 2.930 3.060 2.906 2.879 2.938 0.051 33 0 "[ . 1 . 2 . 3 ]" 1
1092 1 80 PHE H 1 80 PHE QB . 3.600 4.220 2.933 2.497 3.074 1.103 19 34 [****************-*+***************] 1
1093 1 80 PHE H 1 87 ALA H . . 4.140 3.873 3.587 4.199 0.059 22 0 "[ . 1 . 2 . 3 ]" 1
1094 1 80 PHE HA 1 80 PHE QB . 2.340 2.780 2.239 2.235 2.241 0.105 34 0 "[ . 1 . 2 . 3 ]" 1
1095 1 80 PHE HA 1 81 ASN H . 2.400 2.620 2.807 2.426 2.987 0.367 15 0 "[ . 1 . 2 . 3 ]" 1
1096 1 80 PHE HA 1 81 ASN HA . . 9.690 4.452 4.308 4.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
1097 1 80 PHE HA 1 86 LEU HA . 2.560 2.690 2.265 1.768 2.933 0.792 28 12 "[ - . * 1 . ******** *+ 3 ]" 1
1098 1 80 PHE HA 1 87 ALA H . 2.400 2.620 2.417 1.957 2.973 0.443 23 0 "[ . 1 . 2 . 3 ]" 1
1099 1 80 PHE HA 1 87 ALA MB . . 7.080 3.079 2.608 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
1100 1 80 PHE QB 1 81 ASN H . 2.510 3.040 2.066 1.823 2.695 0.687 15 25 "[************ *+****-****. ** 3 ]" 1
1101 1 80 PHE QB 1 85 GLN H . 3.760 4.020 3.182 2.733 3.408 1.027 34 16 "[ . 1 - .* **** **** *****+]" 1
1102 1 80 PHE QB 1 84 ASN H . . 4.530 4.165 3.251 5.099 0.569 26 1 "[ . 1 . 2 .+ 3 ]" 1
1103 1 80 PHE QB 1 84 ASN HA . 2.710 3.580 4.002 3.859 4.328 0.748 23 7 "[- . 1** *. * 2 + * 3 ]" 1
1104 1 80 PHE QB 1 86 LEU HA . 2.090 2.290 2.124 1.727 2.490 0.363 28 0 "[ . 1 . 2 . 3 ]" 1
1105 1 81 ASN H 1 84 ASN H . 3.610 5.530 3.761 3.127 5.823 0.483 20 0 "[ . 1 . 2 . 3 ]" 1
1106 1 81 ASN H 1 84 ASN HA . . 4.480 4.683 4.160 5.909 1.429 31 8 "[ . 1 . 2 - .* **+***]" 1
1107 1 81 ASN H 1 85 GLN H . . 3.060 2.874 2.635 3.186 0.126 34 0 "[ . 1 . 2 . 3 ]" 1
1108 1 81 ASN H 1 85 GLN QB . . 4.800 3.318 1.665 3.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
1109 1 81 ASN H 1 86 LEU HA . . 4.380 4.200 3.774 4.615 0.235 33 0 "[ . 1 . 2 . 3 ]" 1
1110 1 81 ASN HA 1 81 ASN HB3 . 2.630 2.720 2.436 2.327 2.806 0.303 21 0 "[ . 1 . 2 . 3 ]" 1
1111 1 81 ASN HA 1 81 ASN HB2 . 2.660 2.850 2.844 2.292 3.018 0.368 33 0 "[ . 1 . 2 . 3 ]" 1
1112 1 81 ASN HA 1 82 GLU H . 2.690 3.640 3.002 2.802 3.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
1113 1 81 ASN HA 1 83 ASN H . . 5.580 4.430 4.103 6.068 0.488 23 0 "[ . 1 . 2 . 3 ]" 1
1114 1 81 ASN HB3 1 81 ASN QD . . 3.460 3.152 2.277 3.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
1115 1 81 ASN HB3 1 83 ASN H . 3.250 7.790 3.963 3.435 6.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
1116 1 81 ASN HB3 1 85 GLN H . . 5.440 5.112 4.717 5.484 0.044 11 0 "[ . 1 . 2 . 3 ]" 1
1117 1 81 ASN HB2 1 81 ASN QD . . 3.470 2.603 2.326 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
1118 1 81 ASN QD 1 85 GLN QB . . 4.020 1.656 1.213 1.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
1119 1 81 ASN QD 1 83 ASN QB . . 4.150 4.287 3.932 5.264 1.114 34 8 "[ . 1 . 2 * .- *****+]" 1
1120 1 81 ASN QD 1 86 LEU H . . 3.360 4.256 3.659 4.892 1.532 33 27 "[ *******-* * . ***************+*]" 1
1121 1 82 GLU H 1 82 GLU HA . . 2.590 2.817 2.580 2.888 0.298 15 0 "[ . 1 . 2 . 3 ]" 1
1122 1 82 GLU H 1 82 GLU QB . . 2.610 2.231 2.141 2.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
1123 1 82 GLU H 1 83 ASN H . 2.250 2.830 2.816 2.457 3.733 0.903 23 1 "[ . 1 . 2 + . 3 ]" 1
1124 1 82 GLU H 1 84 ASN H . . 4.940 4.725 4.188 6.255 1.315 26 8 "[ . 1 . 2 - .+ ******]" 1
1125 1 82 GLU HA 1 82 GLU QB . . 2.600 2.392 2.254 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
1126 1 82 GLU HA 1 82 GLU QG . . 3.360 2.446 2.032 3.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
1127 1 82 GLU HA 1 83 ASN H . 2.990 5.500 3.253 2.995 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
1128 1 82 GLU HA 1 84 ASN H . . 4.740 4.361 3.690 6.250 1.510 26 8 "[ . 1 . 2 - .+ ******]" 1
1129 1 82 GLU QB 1 82 GLU QG . . 2.360 2.102 1.994 2.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
1130 1 82 GLU QB 1 83 ASN H . . 3.400 3.375 1.847 3.866 0.466 11 0 "[ . 1 . 2 . 3 ]" 1
1131 1 83 ASN H 1 83 ASN QB . 2.440 2.640 3.097 2.973 3.405 0.765 26 8 "[ . 1 . 2 - .+ ******]" 1
1132 1 83 ASN H 1 83 ASN QD . . 2.660 2.502 1.479 2.882 0.222 15 0 "[ . 1 . 2 . 3 ]" 1
1133 1 83 ASN H 1 84 ASN H . 2.160 2.570 2.191 1.869 3.336 0.766 23 2 "[ . 1 . 2 + .- 3 ]" 1
1134 1 83 ASN H 1 85 GLN H . 2.730 4.300 2.950 2.099 3.326 0.631 26 6 "[ . 1 . 2 .+ -****]" 1
1135 1 83 ASN H 1 85 GLN QB . . 5.090 4.218 2.981 4.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
1136 1 83 ASN HA 1 83 ASN QB . 2.250 2.480 2.197 2.194 2.207 0.056 27 0 "[ . 1 . 2 . 3 ]" 1
1137 1 83 ASN HA 1 84 ASN H . 3.020 3.400 3.515 2.385 3.641 0.635 23 1 "[ . 1 . 2 + . 3 ]" 1
1138 1 83 ASN QB 1 84 ASN H . . 4.170 3.174 1.931 3.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
1139 1 83 ASN QB 1 85 GLN QG . . 3.770 2.956 2.426 4.667 0.897 23 7 "[ . 1 . 2 + . ****-*]" 1
1140 1 83 ASN QB 1 85 GLN H . . 6.800 3.649 3.280 5.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
1141 1 83 ASN QD 1 84 ASN HD21 . . 3.510 2.549 1.984 3.070 . 0 0 "[ . 1 . 2 . 3 ]" 1
1142 1 83 ASN QD 1 85 GLN QE . . 2.560 1.692 1.437 2.647 0.087 33 0 "[ . 1 . 2 . 3 ]" 1
1143 1 84 ASN H 1 84 ASN HA . 2.010 2.500 2.418 2.283 2.859 0.359 34 0 "[ . 1 . 2 . 3 ]" 1
1144 1 84 ASN H 1 84 ASN HB3 . . 3.820 3.263 2.389 3.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
1145 1 84 ASN H 1 84 ASN HB2 . . 4.080 4.028 3.560 4.168 0.088 1 0 "[ . 1 . 2 . 3 ]" 1
1146 1 84 ASN H 1 85 GLN H . . 3.100 2.137 1.891 2.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
1147 1 84 ASN H 1 85 GLN QE . . 4.120 3.959 2.189 4.401 0.281 24 0 "[ . 1 . 2 . 3 ]" 1
1148 1 84 ASN H 1 85 GLN QB . . 5.630 4.276 3.936 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
1149 1 84 ASN HA 1 84 ASN HB3 . 2.540 2.920 2.621 2.601 2.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
1150 1 84 ASN HA 1 85 GLN H . 2.810 3.340 3.091 3.036 3.144 . 0 0 "[ . 1 . 2 . 3 ]" 1
1151 1 84 ASN HB2 1 85 GLN H . . 5.540 4.633 4.610 4.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
1152 1 85 GLN H 1 85 GLN QG . . 3.210 2.522 1.971 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
1153 1 85 GLN H 1 85 GLN QB . 2.810 3.650 2.543 2.318 2.944 0.492 16 0 "[ . 1 . 2 . 3 ]" 1
1154 1 85 GLN HA 1 85 GLN QG . . 2.970 2.591 2.329 3.264 0.294 32 0 "[ . 1 . 2 . 3 ]" 1
1155 1 85 GLN HA 1 85 GLN QB . 2.540 2.880 2.363 2.171 2.450 0.369 31 0 "[ . 1 . 2 . 3 ]" 1
1156 1 85 GLN HA 1 86 LEU H . . 2.550 2.493 2.202 2.986 0.436 32 0 "[ . 1 . 2 . 3 ]" 1
1157 1 85 GLN HA 1 86 LEU QB . 3.140 4.220 4.087 3.859 4.429 0.209 34 0 "[ . 1 . 2 . 3 ]" 1
1158 1 85 GLN QG 1 86 LEU H . . 4.530 4.169 3.626 4.744 0.214 26 0 "[ . 1 . 2 . 3 ]" 1
1159 1 85 GLN QB 1 86 LEU H . . 3.890 3.173 1.884 4.027 0.137 33 0 "[ . 1 . 2 . 3 ]" 1
1160 1 86 LEU H 1 86 LEU QB . . 2.560 2.246 1.986 2.575 0.015 14 0 "[ . 1 . 2 . 3 ]" 1
1161 1 86 LEU H 1 87 ALA H . . 4.220 4.483 4.256 4.616 0.396 26 0 "[ . 1 . 2 . 3 ]" 1
1162 1 86 LEU HA 1 86 LEU QB . 2.120 2.470 2.212 2.118 2.437 0.002 8 0 "[ . 1 . 2 . 3 ]" 1
1163 1 86 LEU HA 1 86 LEU MD1 . . 4.230 3.480 2.744 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
1164 1 86 LEU HA 1 87 ALA H . . 2.070 2.227 2.176 2.359 0.289 21 0 "[ . 1 . 2 . 3 ]" 1
1165 1 86 LEU QB 1 86 LEU HG . 2.240 2.550 2.411 2.151 2.549 0.089 14 0 "[ . 1 . 2 . 3 ]" 1
1166 1 86 LEU HG 1 88 GLY H . 2.520 2.930 3.201 1.932 3.775 0.845 16 15 "[ * . * *** *.+ **2-* ** ** 3 ]" 1
1167 1 86 LEU QB 1 87 ALA H . . 4.440 3.613 3.361 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
1168 1 86 LEU QB 1 88 GLY H . . 5.420 4.253 3.672 5.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
1169 1 86 LEU MD1 1 87 ALA H . . 4.830 3.759 3.041 4.891 0.061 33 0 "[ . 1 . 2 . 3 ]" 1
1170 1 86 LEU MD1 1 87 ALA MB . . 5.960 4.661 3.653 5.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
1171 1 86 LEU MD1 1 88 GLY H . . 4.710 3.236 1.986 4.990 0.280 22 0 "[ . 1 . 2 . 3 ]" 1
1172 1 86 LEU MD1 1 88 GLY QA . . 5.650 3.195 1.808 5.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
1173 1 87 ALA H 1 87 ALA HA . 2.550 3.240 2.856 2.824 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
1174 1 87 ALA H 1 87 ALA MB . 2.440 4.750 2.166 1.950 2.741 0.490 7 0 "[ . 1 . 2 . 3 ]" 1
1175 1 87 ALA H 1 88 GLY H . 2.250 2.560 2.285 1.509 2.587 0.741 20 5 "[ . 1 . **+- * 3 ]" 1
1176 1 87 ALA H 1 88 GLY QA . . 4.140 4.219 3.512 4.515 0.375 7 0 "[ . 1 . 2 . 3 ]" 1
1177 1 87 ALA HA 1 87 ALA MB . 2.240 2.740 2.119 2.106 2.151 0.134 3 0 "[ . 1 . 2 . 3 ]" 1
1178 1 87 ALA HA 1 88 GLY H . . 4.080 3.589 3.459 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
1179 1 87 ALA MB 1 88 GLY H . 3.630 3.650 2.748 2.543 3.089 1.087 28 34 [*******************-*******+******] 1
1180 1 87 ALA MB 1 90 ILE MG . . 5.810 4.393 3.974 5.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
1181 1 88 GLY H 1 89 VAL H . 3.560 4.400 4.038 3.417 4.328 0.143 20 0 "[ . 1 . 2 . 3 ]" 1
1182 1 88 GLY QA 1 89 VAL H . . 2.630 2.324 2.174 2.737 0.107 20 0 "[ . 1 . 2 . 3 ]" 1
1183 1 89 VAL H 1 89 VAL HB . 2.380 2.580 2.589 2.049 2.879 0.331 21 0 "[ . 1 . 2 . 3 ]" 1
1184 1 89 VAL H 1 89 VAL QG . 3.310 4.930 2.981 2.559 3.137 0.751 24 2 "[ . 1 . - +. 3 ]" 1
1185 1 89 VAL H 1 90 ILE H . 3.990 4.520 3.484 3.061 3.780 0.929 27 9 "[ . 1 . ***** -* +* 3 ]" 1
1186 1 89 VAL H 1 90 ILE MG . . 6.170 3.564 3.375 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
1187 1 89 VAL H 1 102 GLU HA . . 2.240 3.380 3.080 3.900 1.660 27 34 [****************-*********+*******] 1
1188 1 89 VAL HA 1 89 VAL QG . 3.160 3.320 2.054 1.923 2.128 1.237 21 34 [***************-****+*************] 1
1189 1 89 VAL HA 1 90 ILE H . 2.830 3.080 2.442 2.233 2.946 0.597 8 24 "[*******+********* 2 * .- ** ***]" 1
1190 1 89 VAL HB 1 90 ILE H . . 4.130 4.516 4.286 4.631 0.501 16 1 "[ . 1 .+ 2 . 3 ]" 1
1191 1 89 VAL HB 1 103 CYS H . . 4.480 3.263 2.984 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
1192 1 89 VAL HB 1 103 CYS QB . 3.020 3.200 3.055 2.679 3.835 0.635 21 7 "[ . 1 . * *+* * -* 3 ]" 1
1193 1 89 VAL QG 1 103 CYS H . . 6.030 2.538 1.611 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
1194 1 89 VAL QG 1 103 CYS QB . . 4.880 1.756 1.380 2.031 . 0 0 "[ . 1 . 2 . 3 ]" 1
1195 1 89 VAL QG 1 104 THR H . . 6.990 4.145 2.562 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
1196 1 90 ILE H 1 90 ILE HB . 2.660 9.660 3.583 3.527 3.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
1197 1 90 ILE H 1 90 ILE HG12 . . 2.920 2.329 1.929 2.989 0.069 27 0 "[ . 1 . 2 . 3 ]" 1
1198 1 90 ILE H 1 90 ILE HG13 . . 3.460 3.683 3.395 3.994 0.534 28 2 "[ . 1 . - . + 3 ]" 1
1199 1 90 ILE H 1 90 ILE MG . 2.710 3.290 2.256 1.914 2.469 0.796 28 9 "[ . 1 . ***** -* *+ 3 ]" 1
1200 1 90 ILE HA 1 90 ILE HB . . 2.960 2.378 2.332 2.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
1201 1 90 ILE HA 1 90 ILE MG . 2.990 3.130 2.338 2.265 2.433 0.725 15 34 [**************+************-******] 1
1202 1 90 ILE HA 1 91 THR H . 2.350 2.550 2.519 2.440 2.645 0.095 21 0 "[ . 1 . 2 . 3 ]" 1
1203 1 90 ILE HA 1 91 THR HA . . 7.490 4.565 4.496 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
1204 1 90 ILE HA 1 101 VAL H . . 3.930 3.044 2.533 3.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
1205 1 90 ILE HA 1 102 GLU H . . 5.040 3.611 3.331 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
1206 1 90 ILE HA 1 102 GLU HA . 2.130 2.350 2.009 1.781 2.412 0.349 19 0 "[ . 1 . 2 . 3 ]" 1
1207 1 90 ILE HA 1 103 CYS H . 2.450 2.860 2.865 2.638 3.004 0.144 8 0 "[ . 1 . 2 . 3 ]" 1
1208 1 90 ILE HB 1 90 ILE MD . 2.550 3.570 2.800 2.636 3.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
1209 1 90 ILE HB 1 91 THR H . 2.110 2.560 2.446 2.273 2.620 0.060 16 0 "[ . 1 . 2 . 3 ]" 1
1210 1 90 ILE HB 1 100 PHE QB . 2.690 3.440 1.817 1.657 2.032 1.033 30 34 [********************-********+****] 1
1211 1 90 ILE HB 1 101 VAL H . . 3.420 2.116 1.659 2.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
1212 1 90 ILE HB 1 103 CYS H . 3.200 5.220 5.240 4.992 5.411 0.191 8 0 "[ . 1 . 2 . 3 ]" 1
1213 1 90 ILE HG12 1 91 THR H . . 3.760 3.933 3.184 4.371 0.611 34 11 "[ * . **1 * * * 2 * .- ** +]" 1
1214 1 90 ILE HG12 1 100 PHE CG . . 6.100 4.362 3.591 4.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
1215 1 90 ILE HG13 1 91 THR H . . 4.370 3.487 3.232 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
1216 1 90 ILE HG13 1 100 PHE QD . . 4.120 2.201 1.945 2.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
1217 1 90 ILE MD 1 90 ILE MG . 3.430 3.700 1.688 1.612 1.743 1.818 8 34 [*******+***************-**********] 1
1218 1 90 ILE MD 1 91 THR H . . 8.570 4.550 4.418 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
1219 1 90 ILE MD 1 100 PHE CG . . 7.260 3.046 2.540 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
1220 1 90 ILE MD 1 100 PHE QB . 3.510 4.310 2.746 2.519 2.943 0.991 9 34 [********+*-***********************] 1
1221 1 90 ILE MD 1 100 PHE HZ . . 5.310 4.306 3.897 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
1222 1 90 ILE MD 1 101 VAL H . 3.810 6.620 4.472 4.273 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
1223 1 90 ILE MG 1 91 THR H . 3.790 5.630 3.860 3.793 3.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
1224 1 90 ILE MG 1 100 PHE CZ . . 6.300 5.790 5.625 5.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
1225 1 90 ILE MG 1 100 PHE QB . . 4.530 2.534 2.329 2.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
1226 1 90 ILE MG 1 101 VAL H . . 5.930 3.516 3.312 3.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
1227 1 90 ILE MG 1 102 GLU H . . 6.950 3.243 2.438 3.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
1228 1 90 ILE MG 1 102 GLU HA . 2.930 3.180 2.576 2.302 2.807 0.628 22 9 "[ . 1 . ****+ -* ** 3 ]" 1
1229 1 90 ILE MG 1 103 CYS H . . 7.830 4.238 4.082 4.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
1230 1 91 THR H 1 91 THR HB . 3.270 3.530 3.683 3.586 3.753 0.223 20 0 "[ . 1 . 2 . 3 ]" 1
1231 1 91 THR H 1 91 THR MG . 3.150 3.340 2.444 2.241 2.536 0.909 16 34 [*******-*******+******************] 1
1232 1 91 THR H 1 95 ALA MB . . 6.050 4.430 4.109 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
1233 1 91 THR H 1 100 PHE QD . . 5.600 2.948 2.572 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
1234 1 91 THR H 1 100 PHE HE1 . . 6.970 5.070 4.598 5.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
1235 1 91 THR H 1 100 PHE HA . 3.260 4.030 3.371 2.572 3.645 0.688 17 2 "[ . 1 .-+ 2 . 3 ]" 1
1236 1 91 THR H 1 100 PHE QB . 3.160 3.610 3.479 3.280 3.802 0.192 16 0 "[ . 1 . 2 . 3 ]" 1
1237 1 91 THR H 1 101 VAL QG . . 4.650 2.753 2.298 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
1238 1 91 THR H 1 102 GLU HA . 2.670 3.580 4.289 4.178 4.555 0.975 16 34 [***************+*************-****] 1
1239 1 91 THR H 1 103 CYS H . 2.880 4.220 4.600 4.515 4.836 0.616 19 1 "[ . 1 . +2 . 3 ]" 1
1240 1 91 THR HA 1 91 THR HB . 2.920 3.050 2.362 2.321 2.420 0.599 16 34 [*****-*********+******************] 1
1241 1 91 THR HA 1 92 HIS H . 2.650 2.940 2.321 2.232 2.469 0.418 17 0 "[ . 1 . 2 . 3 ]" 1
1242 1 91 THR HA 1 92 HIS HA . . 7.040 4.259 4.245 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
1243 1 91 THR HA 1 93 THR H . 3.840 4.320 3.732 3.609 4.106 0.231 16 0 "[ . 1 . 2 . 3 ]" 1
1244 1 91 THR HA 1 100 PHE QD . . 3.940 3.236 2.884 3.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
1245 1 91 THR HA 1 100 PHE HE1 . . 4.400 3.822 3.247 4.654 0.254 16 0 "[ . 1 . 2 . 3 ]" 1
1246 1 91 THR HB 1 92 HIS H . 2.830 3.500 3.777 3.596 3.913 0.413 4 0 "[ . 1 . 2 . 3 ]" 1
1247 1 91 THR HB 1 101 VAL QG . . 5.830 4.668 4.316 4.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
1248 1 91 THR MG 1 92 HIS H . 2.860 5.760 4.038 3.624 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
1249 1 91 THR MG 1 93 THR H . 2.640 3.340 2.807 2.518 3.186 0.122 23 0 "[ . 1 . 2 . 3 ]" 1
1250 1 91 THR MG 1 101 VAL H . . 5.600 3.468 3.034 3.639 . 0 0 "[ . 1 . 2 . 3 ]" 1
1251 1 91 THR MG 1 101 VAL QG . 3.640 3.770 2.213 1.863 2.335 1.777 17 34 [****************+**************-**] 1
1252 1 91 THR MG 1 102 GLU HA . 3.260 4.630 3.786 3.667 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
1253 1 91 THR MG 1 103 CYS HA . . 5.530 2.280 1.741 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
1254 1 92 HIS H 1 92 HIS HB3 . 2.470 3.500 3.505 3.450 3.577 0.077 8 0 "[ . 1 . 2 . 3 ]" 1
1255 1 92 HIS H 1 92 HIS HB2 . . 3.010 2.244 2.154 2.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
1256 1 92 HIS H 1 95 ALA MB . . 6.030 4.833 4.276 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
1257 1 92 HIS H 1 100 PHE HE1 . . 3.860 4.139 3.977 4.427 0.567 16 3 "[ . * 1 .+- 2 . 3 ]" 1
1258 1 92 HIS H 1 100 PHE HA . . 5.060 4.973 4.100 5.235 0.175 6 0 "[ . 1 . 2 . 3 ]" 1
1259 1 92 HIS HA 1 92 HIS HD2 . . 4.840 2.975 2.617 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
1260 1 92 HIS HA 1 93 THR H . 2.830 3.120 3.236 2.996 3.515 0.395 6 0 "[ . 1 . 2 . 3 ]" 1
1261 1 92 HIS HA 1 95 ALA H . . 5.980 3.784 3.295 5.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
1262 1 92 HIS HA 1 95 ALA MB . 2.790 3.650 2.623 1.938 3.077 0.852 6 5 "[ .+ * 1 . 2 *. 3* - ]" 1
1263 1 92 HIS HA 1 100 PHE QD . . 4.240 3.773 3.456 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
1264 1 92 HIS HA 1 100 PHE HA . 2.540 2.860 3.322 3.080 3.578 0.718 21 10 "[ .* 1 . ***+* *- ** 3 ]" 1
1265 1 92 HIS HB3 1 92 HIS HD2 . 3.410 3.870 3.969 3.893 4.001 0.131 10 0 "[ . 1 . 2 . 3 ]" 1
1266 1 92 HIS HB3 1 93 THR H . 3.530 5.850 4.300 3.944 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
1267 1 92 HIS HB2 1 92 HIS HD2 . . 3.450 3.335 3.170 3.534 0.084 32 0 "[ . 1 . 2 . 3 ]" 1
1268 1 92 HIS HB2 1 93 THR H . . 3.800 3.807 3.139 4.198 0.398 17 0 "[ . 1 . 2 . 3 ]" 1
1269 1 92 HIS HD2 1 100 PHE QD . . 2.560 2.559 1.991 2.943 0.383 22 0 "[ . 1 . 2 . 3 ]" 1
1270 1 93 THR H 1 93 THR MG . . 4.640 3.622 3.520 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1
1271 1 93 THR H 1 94 GLY H . 3.350 3.880 4.031 2.325 4.619 1.025 18 9 "[ **.- * 1 .**+ 2 * . 3 * ]" 1
1272 1 93 THR H 1 94 GLY QA . . 4.780 5.239 4.276 5.475 0.695 31 27 "[* -** * ***** *** ************+* ]" 1
1273 1 93 THR H 1 101 VAL QG . . 7.110 3.491 2.459 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
1274 1 93 THR HA 1 93 THR HB . . 2.920 3.019 3.004 3.066 0.146 2 0 "[ . 1 . 2 . 3 ]" 1
1275 1 93 THR HA 1 93 THR MG . 3.480 4.330 2.629 2.376 2.734 1.104 2 34 [*+*****-**************************] 1
1276 1 93 THR HA 1 94 GLY H . . 2.620 2.474 2.151 3.483 0.863 18 5 "[ - .* * 1 . + 2 . 3 * ]" 1
1277 1 93 THR HA 1 95 ALA H . 3.670 3.920 4.068 3.382 4.417 0.497 13 0 "[ . 1 . 2 . 3 ]" 1
1278 1 93 THR HB 1 94 GLY H . . 4.360 4.374 2.157 4.717 0.357 9 0 "[ . 1 . 2 . 3 ]" 1
1279 1 93 THR HB 1 95 ALA H . . 5.400 4.913 4.172 5.797 0.397 16 0 "[ . 1 . 2 . 3 ]" 1
1280 1 93 THR MG 1 94 GLY H . . 5.020 3.310 1.742 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
1281 1 93 THR MG 1 95 ALA H . . 5.300 4.358 3.267 4.928 . 0 0 "[ . 1 . 2 . 3 ]" 1
1282 1 94 GLY H 1 95 ALA H . 2.840 3.180 3.097 2.589 3.705 0.525 13 1 "[ . 1 + . 2 . 3 ]" 1
1283 1 94 GLY QA 1 95 ALA H . . 3.470 2.769 2.556 2.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
1284 1 95 ALA H 1 95 ALA MB . 3.140 3.320 2.193 1.934 2.697 1.206 25 33 "[************ ***********+********-]" 1
1285 1 95 ALA H 1 96 SER H . . 5.410 3.013 1.866 4.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
1286 1 95 ALA H 1 97 GLY H . . 3.840 4.064 3.353 4.747 0.907 17 3 "[ .- 1 .*+ 2 . 3 ]" 1
1287 1 95 ALA H 1 101 VAL QG . . 5.400 3.515 2.794 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
1288 1 95 ALA HA 1 96 SER H . 2.650 2.980 3.170 2.223 3.617 0.637 8 10 "[ * . *+ * * . * 2 - . * *3 * ]" 1
1289 1 95 ALA HA 1 96 SER QB . . 4.320 3.950 3.800 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
1290 1 95 ALA HA 1 101 VAL QG . . 3.720 2.471 1.894 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
1291 1 95 ALA MB 1 96 SER H . 3.460 4.140 3.091 2.433 3.792 1.027 4 13 "[ -*+. ** * * . * 2 * * ** * ]" 1
1292 1 95 ALA MB 1 97 GLY H . . 7.090 3.446 2.213 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
1293 1 95 ALA MB 1 99 ASN H . . 5.240 3.302 2.688 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
1294 1 95 ALA MB 1 99 ASN HB3 . . 4.630 3.668 1.791 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
1295 1 95 ALA MB 1 99 ASN HB2 . . 4.860 2.904 1.890 4.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
1296 1 95 ALA MB 1 100 PHE H . . 5.500 3.394 1.637 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
1297 1 95 ALA MB 1 100 PHE HA . 3.340 3.590 2.798 2.437 3.326 0.903 34 23 "[** ** **** *** ***-***.* * 3* *+]" 1
1298 1 95 ALA MB 1 101 VAL H . . 5.610 3.737 3.455 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
1299 1 95 ALA MB 1 101 VAL QG . . 4.260 1.934 1.627 2.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
1300 1 96 SER H 1 96 SER QB . . 3.650 2.924 2.161 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
1301 1 96 SER H 1 97 GLY H . . 2.720 2.404 1.776 3.096 0.376 4 0 "[ . 1 . 2 . 3 ]" 1
1302 1 96 SER H 1 97 GLY QA . . 4.070 4.313 3.809 4.882 0.812 31 5 "[ . 1 . 2* ** -+ ]" 1
1303 1 96 SER H 1 101 VAL QG . . 6.470 4.503 3.588 4.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
1304 1 96 SER HA 1 99 ASN QD . . 3.070 3.584 3.166 4.051 0.981 14 13 "[ * .* * 1 *+.*** 2- *. 3* **]" 1
1305 1 97 GLY H 1 97 GLY QA . . 2.570 2.375 2.246 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
1306 1 97 GLY H 1 99 ASN H . 3.490 4.310 3.972 3.376 4.569 0.259 16 0 "[ . 1 . 2 . 3 ]" 1
1307 1 97 GLY QA 1 98 ASN H . . 2.900 2.189 2.169 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
1308 1 97 GLY QA 1 99 ASN H . . 3.650 3.242 3.054 4.406 0.756 16 2 "[ . 1 .+- 2 . 3 ]" 1
1309 1 98 ASN H 1 99 ASN H . . 3.440 2.449 2.200 3.938 0.498 16 0 "[ . 1 . 2 . 3 ]" 1
1310 1 98 ASN HA 1 98 ASN HD21 . . 3.200 1.879 1.750 2.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
1311 1 98 ASN HA 1 98 ASN HD22 . . 3.260 3.485 3.305 3.625 0.365 13 0 "[ . 1 . 2 . 3 ]" 1
1312 1 98 ASN HA 1 99 ASN H . . 3.000 3.253 2.417 3.428 0.428 8 0 "[ . 1 . 2 . 3 ]" 1
1313 1 98 ASN HD22 1 100 PHE HZ . . 3.860 4.119 3.965 4.411 0.551 17 3 "[ . 1 * .-+ 2 . 3 ]" 1
1314 1 99 ASN H 1 99 ASN HA . 2.600 3.240 2.761 2.538 2.853 0.062 16 0 "[ . 1 . 2 . 3 ]" 1
1315 1 99 ASN H 1 99 ASN QD . . 3.980 2.078 1.616 4.293 0.313 14 0 "[ . 1 . 2 . 3 ]" 1
1316 1 99 ASN H 1 100 PHE H . . 4.470 4.537 3.606 4.663 0.193 7 0 "[ . 1 . 2 . 3 ]" 1
1317 1 99 ASN HA 1 99 ASN HB3 . . 2.680 2.451 2.289 2.808 0.128 21 0 "[ . 1 . 2 . 3 ]" 1
1318 1 99 ASN HA 1 99 ASN HB2 . . 2.640 2.676 2.292 3.044 0.404 34 0 "[ . 1 . 2 . 3 ]" 1
1319 1 99 ASN HA 1 100 PHE H . . 3.050 2.615 2.383 2.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
1320 1 99 ASN QD 1 100 PHE H . . 3.960 4.201 3.861 4.540 0.580 6 2 "[ .+ 1 - . 2 . 3 ]" 1
1321 1 100 PHE H 1 100 PHE QD . . 3.540 3.545 3.333 3.916 0.376 17 0 "[ . 1 . 2 . 3 ]" 1
1322 1 100 PHE CG 1 100 PHE HA . 2.960 4.080 2.719 2.683 2.787 0.277 32 0 "[ . 1 . 2 . 3 ]" 1
1323 1 100 PHE QD 1 101 VAL H . . 5.270 3.123 2.890 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
1324 1 100 PHE H 1 100 PHE QB . 2.170 2.890 2.309 2.128 2.671 0.042 29 0 "[ . 1 . 2 . 3 ]" 1
1325 1 100 PHE HA 1 101 VAL H . . 2.800 2.478 2.278 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
1326 1 100 PHE HA 1 101 VAL QG . . 5.910 3.069 3.011 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
1327 1 100 PHE QB 1 101 VAL H . . 3.260 2.520 2.306 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
1328 1 101 VAL H 1 101 VAL HA . 2.310 3.470 2.845 2.814 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
1329 1 101 VAL H 1 101 VAL HB . 3.900 5.000 3.954 3.922 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
1330 1 101 VAL H 1 101 VAL QG . 3.020 3.260 2.400 2.259 2.526 0.761 13 33 "[***** ******+****-****************]" 1
1331 1 101 VAL H 1 102 GLU H . 2.930 4.180 4.108 4.016 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
1332 1 101 VAL H 1 102 GLU HA . 2.680 3.980 4.464 4.396 4.559 0.579 9 13 "[** *.* +* * . 2* . -3****]" 1
1333 1 101 VAL HA 1 101 VAL HB . 2.140 2.360 2.467 2.420 2.558 0.198 17 0 "[ . 1 . 2 . 3 ]" 1
1334 1 101 VAL HA 1 101 VAL QG . 3.050 3.310 2.218 2.071 2.292 0.979 17 34 [*****-**********+*****************] 1
1335 1 101 VAL HA 1 102 GLU H . . 2.080 2.215 2.189 2.249 0.169 9 0 "[ . 1 . 2 . 3 ]" 1
1336 1 101 VAL HB 1 102 GLU H . 2.170 2.380 3.257 3.091 3.440 1.060 24 34 [********-**************+**********] 1
1337 1 101 VAL QG 1 102 GLU H . . 5.570 3.549 3.486 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
1338 1 102 GLU H 1 102 GLU HA . 2.170 2.620 2.726 2.682 2.756 0.136 26 0 "[ . 1 . 2 . 3 ]" 1
1339 1 102 GLU H 1 102 GLU QG . . 4.120 1.719 1.676 1.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
1340 1 102 GLU HA 1 102 GLU HB3 . . 3.080 2.289 2.278 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
1341 1 102 GLU HA 1 103 CYS H . . 2.090 2.216 2.203 2.240 0.150 19 0 "[ . 1 . 2 . 3 ]" 1
1342 1 102 GLU QG 1 103 CYS H . . 3.780 4.596 4.539 4.637 0.857 17 34 [****************+**-**************] 1
1343 1 103 CYS H 1 103 CYS HA . 2.680 2.980 2.740 2.714 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
1344 1 103 CYS H 1 103 CYS QB . 2.630 2.960 2.452 2.235 2.523 0.395 9 0 "[ . 1 . 2 . 3 ]" 1
1345 1 103 CYS H 1 104 THR MG . . 6.350 5.092 4.139 5.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
1346 1 103 CYS HA 1 103 CYS QB . 2.540 2.870 2.379 2.348 2.472 0.192 12 0 "[ . 1 . 2 . 3 ]" 1
1347 1 103 CYS HA 1 104 THR H . . 2.720 2.903 2.618 3.548 0.828 10 5 "[ . *+ . -2* . * 3 ]" 1
1348 1 103 CYS HA 1 104 THR HA . 3.760 5.920 4.518 4.414 5.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
1349 1 103 CYS HA 1 104 THR MG . . 5.730 3.223 2.814 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
1350 1 103 CYS QB 1 104 THR H . . 3.130 2.122 1.843 3.565 0.435 19 0 "[ . 1 . 2 . 3 ]" 1
1351 1 104 THR H 1 104 THR HA . 2.520 2.710 2.880 2.230 2.948 0.290 19 0 "[ . 1 . 2 . 3 ]" 1
1352 1 104 THR H 1 104 THR MG . 3.810 4.000 2.538 2.319 3.505 1.491 30 32 "[******** 1******-************+****]" 1
1353 1 104 THR HA 1 104 THR MG . 3.350 3.520 2.499 2.135 2.753 1.215 10 34 [*********+********-***************] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 402.919
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.1394
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3 ASP 6.451 0.418 26 0 "[ . 1 . 2 . 3 ]"
1 4 TYR 6.451 0.418 26 0 "[ . 1 . 2 . 3 ]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 6 CYS 0.169 0.169 9 0 "[ . 1 . 2 . 3 ]"
1 11 TYR 0.169 0.169 9 0 "[ . 1 . 2 . 3 ]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 27 HIS 0.705 0.218 23 0 "[ . 1 . 2 . 3 ]"
1 36 ASN 1.164 0.494 27 0 "[ . 1 . 2 . 3 ]"
1 38 TYR 2.277 0.494 27 0 "[ . 1 . 2 . 3 ]"
1 39 PRO 0.277 0.102 4 0 "[ . 1 . 2 . 3 ]"
1 42 TYR 2.250 0.241 22 0 "[ . 1 . 2 . 3 ]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 57 TYR 0.705 0.218 23 0 "[ . 1 . 2 . 3 ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 59 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 90 ILE 2.250 0.241 22 0 "[ . 1 . 2 . 3 ]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 92 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 100 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
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 3 ASP HB3 1 4 TYR CZ . 3.990 . 3.800 3.572 3.965 0.418 26 0 "[ . 1 . 2 . 3 ]" 2
2 1 4 TYR HB3 1 5 THR H . 2.340 . 3.930 3.033 4.360 . 0 0 "[ . 1 . 2 . 3 ]" 2
3 1 6 CYS H 1 11 TYR CZ . 3.210 . 3.371 3.041 3.534 0.169 9 0 "[ . 1 . 2 . 3 ]" 2
4 1 4 TYR CG 1 13 SER H . . . 5.247 4.290 6.386 . 0 0 "[ . 1 . 2 . 3 ]" 2
5 1 4 TYR CZ 1 13 SER HA . 3.600 . 4.366 3.822 4.908 . 0 0 "[ . 1 . 2 . 3 ]" 2
6 1 25 LYS H 1 26 LEU QB . 3.470 . 4.763 4.645 4.855 . 0 0 "[ . 1 . 2 . 3 ]" 2
7 1 38 TYR CG 1 38 TYR H . 2.990 . 3.026 2.764 3.150 0.226 27 0 "[ . 1 . 2 . 3 ]" 2
8 1 36 ASN HB2 1 38 TYR CZ . 3.380 . 4.489 2.886 5.070 0.494 27 0 "[ . 1 . 2 . 3 ]" 2
9 1 38 TYR HB3 1 39 PRO HA . 2.320 . 2.377 2.218 2.507 0.102 4 0 "[ . 1 . 2 . 3 ]" 2
10 1 42 TYR CG 1 43 ASN H . 2.010 . 4.326 3.228 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 2
11 1 42 TYR CG 1 44 ASN HB3 . 3.780 . 4.826 4.307 5.265 . 0 0 "[ . 1 . 2 . 3 ]" 2
12 1 48 PHE CG 1 49 ASP H . 3.410 . 4.559 4.477 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 2
13 1 42 TYR CG 1 50 PHE CZ . 2.650 . 4.881 4.809 4.983 . 0 0 "[ . 1 . 2 . 3 ]" 2
14 1 42 TYR CG 1 50 PHE HZ . 2.780 . 4.305 4.233 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 2
15 1 50 PHE CG 1 51 SER H . 3.950 . 4.861 4.740 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 2
16 1 52 VAL HA 1 53 SER HA . 3.460 . 4.281 4.268 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 2
17 1 54 SER HA 1 56 TYR CZ . 2.710 . 3.809 3.600 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 2
18 1 42 TYR CG 1 56 TYR QB . 2.360 . 3.726 3.400 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 2
19 1 27 HIS HE1 1 57 TYR CZ . 3.340 . 3.440 3.122 4.331 0.218 23 0 "[ . 1 . 2 . 3 ]" 2
20 1 38 TYR CZ 1 58 GLU QG . 3.320 . 4.871 4.214 5.292 . 0 0 "[ . 1 . 2 . 3 ]" 2
21 1 38 TYR CG 1 59 TRP HA . 3.000 . 4.562 4.239 4.868 . 0 0 "[ . 1 . 2 . 3 ]" 2
22 1 61 ILE H 1 62 LEU QD . 2.900 . 4.686 4.328 5.100 . 0 0 "[ . 1 . 2 . 3 ]" 2
23 1 74 GLY H 1 75 ALA HA . 3.290 . 5.159 3.952 6.215 . 0 0 "[ . 1 . 2 . 3 ]" 2
24 1 61 ILE HA 1 76 ASP HB3 . . . 5.493 4.901 6.271 . 0 0 "[ . 1 . 2 . 3 ]" 2
25 1 58 GLU HA 1 78 VAL H . 2.810 . 4.878 4.508 5.276 . 0 0 "[ . 1 . 2 . 3 ]" 2
26 1 58 GLU HB3 1 79 VAL HA . 2.260 . 4.104 3.767 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 2
27 1 20 GLN HA 1 80 PHE CG . 2.960 . 4.408 4.207 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 2
28 1 24 TYR QB 1 80 PHE CG . 3.590 . 4.646 4.386 5.555 . 0 0 "[ . 1 . 2 . 3 ]" 2
29 1 79 VAL HA 1 80 PHE CG . 3.990 . 4.696 4.557 4.887 . 0 0 "[ . 1 . 2 . 3 ]" 2
30 1 80 PHE CZ 1 84 ASN H . 3.670 . 6.632 6.235 7.396 . 0 0 "[ . 1 . 2 . 3 ]" 2
31 1 86 LEU HA 1 87 ALA MB . 2.620 . 3.857 3.808 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 2
32 1 4 TYR CZ 1 89 VAL H . 3.010 . 5.247 5.007 5.521 . 0 0 "[ . 1 . 2 . 3 ]" 2
33 1 4 TYR CZ 1 89 VAL HB . 3.890 . 4.500 3.950 4.798 . 0 0 "[ . 1 . 2 . 3 ]" 2
34 1 42 TYR CZ 1 90 ILE MD . 2.680 . 2.647 2.439 2.924 0.241 22 0 "[ . 1 . 2 . 3 ]" 2
35 1 91 THR H 1 100 PHE CG . 2.410 . 4.551 4.350 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 2
36 1 92 HIS HA 1 100 PHE CG . 3.110 . 5.092 4.645 5.406 . 0 0 "[ . 1 . 2 . 3 ]" 2
37 1 91 THR HA 1 100 PHE CZ . 3.390 . 5.746 5.263 6.435 . 0 0 "[ . 1 . 2 . 3 ]" 2
38 1 48 PHE CZ 1 101 VAL H . 3.100 . 4.124 3.867 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 2
39 1 100 PHE CG 1 101 VAL H . 2.570 . 3.999 3.871 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 2
40 1 48 PHE CZ 1 102 GLU HA . 3.370 . 5.072 4.769 5.349 . 0 0 "[ . 1 . 2 . 3 ]" 2
stop_
save_
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