NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416040 |
2dib   |
10321 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dib
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 2123
_Distance_constraint_stats_list.Viol_count 998
_Distance_constraint_stats_list.Viol_total 274.297
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0137
_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 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.076 0.030 5 0 "[ . 1 . 2]"
1 11 ALA 0.076 0.030 5 0 "[ . 1 . 2]"
1 12 ARG 0.138 0.030 15 0 "[ . 1 . 2]"
1 13 VAL 0.169 0.036 6 0 "[ . 1 . 2]"
1 14 LYS 0.077 0.036 6 0 "[ . 1 . 2]"
1 15 VAL 0.041 0.025 15 0 "[ . 1 . 2]"
1 16 GLU 0.030 0.025 19 0 "[ . 1 . 2]"
1 17 PRO 0.025 0.025 19 0 "[ . 1 . 2]"
1 18 ALA 0.027 0.014 8 0 "[ . 1 . 2]"
1 19 VAL 0.153 0.049 17 0 "[ . 1 . 2]"
1 20 ASP 0.192 0.049 17 0 "[ . 1 . 2]"
1 21 THR 0.245 0.028 2 0 "[ . 1 . 2]"
1 22 SER 0.897 0.171 6 0 "[ . 1 . 2]"
1 23 ARG 0.339 0.061 16 0 "[ . 1 . 2]"
1 24 ILE 0.649 0.061 16 0 "[ . 1 . 2]"
1 25 LYS 0.155 0.024 1 0 "[ . 1 . 2]"
1 26 VAL 0.142 0.014 13 0 "[ . 1 . 2]"
1 27 PHE 0.057 0.018 13 0 "[ . 1 . 2]"
1 28 GLY 0.023 0.009 18 0 "[ . 1 . 2]"
1 29 PRO 0.191 0.022 9 0 "[ . 1 . 2]"
1 30 GLY 0.034 0.015 3 0 "[ . 1 . 2]"
1 31 ILE 0.153 0.018 13 0 "[ . 1 . 2]"
1 32 GLU 0.036 0.019 17 0 "[ . 1 . 2]"
1 33 GLY 0.172 0.026 14 0 "[ . 1 . 2]"
1 34 LYS 0.612 0.079 4 0 "[ . 1 . 2]"
1 35 ASP 0.017 0.010 14 0 "[ . 1 . 2]"
1 36 VAL 0.458 0.047 16 0 "[ . 1 . 2]"
1 37 PHE 0.688 0.110 15 0 "[ . 1 . 2]"
1 38 ARG 1.527 0.134 16 0 "[ . 1 . 2]"
1 39 GLU 0.037 0.017 9 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 THR 0.066 0.018 1 0 "[ . 1 . 2]"
1 42 THR 0.113 0.022 15 0 "[ . 1 . 2]"
1 43 ASP 0.068 0.026 18 0 "[ . 1 . 2]"
1 44 PHE 0.119 0.019 7 0 "[ . 1 . 2]"
1 45 THR 0.008 0.005 19 0 "[ . 1 . 2]"
1 46 VAL 0.020 0.008 14 0 "[ . 1 . 2]"
1 47 ASP 0.245 0.034 7 0 "[ . 1 . 2]"
1 48 SER 0.417 0.065 6 0 "[ . 1 . 2]"
1 49 ARG 1.037 0.191 17 0 "[ . 1 . 2]"
1 50 PRO 0.078 0.028 14 0 "[ . 1 . 2]"
1 51 LEU 0.283 0.033 9 0 "[ . 1 . 2]"
1 52 THR 0.380 0.034 14 0 "[ . 1 . 2]"
1 53 GLN 0.055 0.021 8 0 "[ . 1 . 2]"
1 54 VAL 0.178 0.017 11 0 "[ . 1 . 2]"
1 55 GLY 0.271 0.039 2 0 "[ . 1 . 2]"
1 56 GLY 0.104 0.039 2 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 HIS 0.007 0.007 12 0 "[ . 1 . 2]"
1 59 ILE 0.136 0.020 14 0 "[ . 1 . 2]"
1 60 LYS 0.157 0.036 11 0 "[ . 1 . 2]"
1 61 ALA 0.297 0.063 7 0 "[ . 1 . 2]"
1 62 HIS 0.275 0.063 7 0 "[ . 1 . 2]"
1 63 ILE 0.194 0.018 18 0 "[ . 1 . 2]"
1 64 ALA 0.420 0.048 14 0 "[ . 1 . 2]"
1 65 ASN 0.026 0.006 2 0 "[ . 1 . 2]"
1 66 PRO 0.211 0.039 13 0 "[ . 1 . 2]"
1 67 SER 0.133 0.126 4 0 "[ . 1 . 2]"
1 68 GLY 0.203 0.039 13 0 "[ . 1 . 2]"
1 69 ALA 0.150 0.126 4 0 "[ . 1 . 2]"
1 70 SER 0.023 0.006 14 0 "[ . 1 . 2]"
1 71 THR 0.011 0.003 9 0 "[ . 1 . 2]"
1 72 GLU 0.114 0.023 2 0 "[ . 1 . 2]"
1 73 CYS 0.144 0.026 14 0 "[ . 1 . 2]"
1 74 PHE 0.037 0.010 13 0 "[ . 1 . 2]"
1 75 VAL 0.017 0.005 14 0 "[ . 1 . 2]"
1 76 THR 0.070 0.013 13 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.021 0.014 15 0 "[ . 1 . 2]"
1 79 ALA 0.034 0.017 13 0 "[ . 1 . 2]"
1 80 ASP 0.005 0.005 1 0 "[ . 1 . 2]"
1 81 GLY 0.133 0.034 14 0 "[ . 1 . 2]"
1 82 THR 0.272 0.034 14 0 "[ . 1 . 2]"
1 83 TYR 0.043 0.017 13 0 "[ . 1 . 2]"
1 84 GLN 0.150 0.027 2 0 "[ . 1 . 2]"
1 85 VAL 0.060 0.030 18 0 "[ . 1 . 2]"
1 86 GLU 0.041 0.010 13 0 "[ . 1 . 2]"
1 87 TYR 0.032 0.013 14 0 "[ . 1 . 2]"
1 88 THR 0.023 0.018 1 0 "[ . 1 . 2]"
1 89 PRO 0.311 0.025 14 0 "[ . 1 . 2]"
1 90 PHE 0.003 0.003 9 0 "[ . 1 . 2]"
1 91 GLU 0.066 0.016 14 0 "[ . 1 . 2]"
1 92 LYS 0.393 0.134 16 0 "[ . 1 . 2]"
1 93 GLY 0.063 0.032 16 0 "[ . 1 . 2]"
1 94 LEU 0.246 0.034 7 0 "[ . 1 . 2]"
1 95 HIS 1.051 0.048 14 0 "[ . 1 . 2]"
1 96 VAL 0.355 0.032 20 0 "[ . 1 . 2]"
1 97 VAL 0.663 0.045 20 0 "[ . 1 . 2]"
1 98 GLU 0.276 0.066 18 0 "[ . 1 . 2]"
1 99 VAL 0.465 0.066 18 0 "[ . 1 . 2]"
1 100 THR 0.251 0.030 20 0 "[ . 1 . 2]"
1 101 TYR 0.133 0.027 14 0 "[ . 1 . 2]"
1 102 ASP 0.032 0.020 14 0 "[ . 1 . 2]"
1 103 ASP 0.060 0.027 14 0 "[ . 1 . 2]"
1 104 VAL 0.104 0.030 20 0 "[ . 1 . 2]"
1 105 PRO 0.337 0.054 20 0 "[ . 1 . 2]"
1 106 ILE 0.555 0.050 14 0 "[ . 1 . 2]"
1 107 PRO 0.135 0.046 12 0 "[ . 1 . 2]"
1 108 ASN 0.021 0.011 12 0 "[ . 1 . 2]"
1 109 SER 0.992 0.058 14 0 "[ . 1 . 2]"
1 110 PRO 0.071 0.018 14 0 "[ . 1 . 2]"
1 111 PHE 0.449 0.052 5 0 "[ . 1 . 2]"
1 112 LYS 0.475 0.053 7 0 "[ . 1 . 2]"
1 113 VAL 0.164 0.037 14 0 "[ . 1 . 2]"
1 114 ALA 0.027 0.009 5 0 "[ . 1 . 2]"
1 115 VAL 0.315 0.042 8 0 "[ . 1 . 2]"
1 116 THR 0.219 0.042 8 0 "[ . 1 . 2]"
1 117 GLU 0.688 0.145 9 0 "[ . 1 . 2]"
1 118 GLY 0.489 0.145 9 0 "[ . 1 . 2]"
1 119 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLN 0.004 0.004 3 0 "[ . 1 . 2]"
1 121 PRO 0.004 0.004 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PHE HA 1 9 PHE QD . . 4.300 3.063 2.129 3.717 . 0 0 "[ . 1 . 2]" 1
2 1 9 PHE HA 1 10 PRO HD2 . . 3.560 2.051 1.913 2.441 . 0 0 "[ . 1 . 2]" 1
3 1 9 PHE HA 1 10 PRO HD3 . . 3.560 2.408 2.252 2.774 . 0 0 "[ . 1 . 2]" 1
4 1 9 PHE QB 1 10 PRO QD . . 3.860 3.054 2.068 3.811 . 0 0 "[ . 1 . 2]" 1
5 1 10 PRO HA 1 11 ALA H . . 3.260 2.461 2.153 3.290 0.030 5 0 "[ . 1 . 2]" 1
6 1 10 PRO QB 1 11 ALA H . . 4.040 3.097 2.154 3.791 . 0 0 "[ . 1 . 2]" 1
7 1 11 ALA H 1 11 ALA MB . . 3.410 2.457 2.085 2.883 . 0 0 "[ . 1 . 2]" 1
8 1 11 ALA HA 1 12 ARG H . . 3.240 2.361 2.142 2.802 . 0 0 "[ . 1 . 2]" 1
9 1 11 ALA MB 1 12 ARG H . . 4.370 3.150 2.144 3.720 . 0 0 "[ . 1 . 2]" 1
10 1 12 ARG H 1 12 ARG QB . . 3.650 2.519 2.197 3.251 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG H 1 12 ARG HG2 . . 4.630 3.629 2.021 4.642 0.012 1 0 "[ . 1 . 2]" 1
12 1 12 ARG H 1 12 ARG HG3 . . 4.630 3.670 2.754 4.636 0.006 15 0 "[ . 1 . 2]" 1
13 1 12 ARG HA 1 12 ARG HG2 . . 3.950 2.928 2.236 3.867 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG HA 1 12 ARG HG3 . . 3.950 3.121 2.195 3.811 . 0 0 "[ . 1 . 2]" 1
15 1 12 ARG HA 1 13 VAL H . . 2.860 2.518 2.141 2.880 0.020 13 0 "[ . 1 . 2]" 1
16 1 12 ARG HA 1 13 VAL HA . . 5.250 4.472 4.343 4.843 . 0 0 "[ . 1 . 2]" 1
17 1 12 ARG HA 1 13 VAL QG . . 4.410 3.819 3.231 4.376 . 0 0 "[ . 1 . 2]" 1
18 1 12 ARG QB 1 12 ARG QG . . 2.320 2.051 2.007 2.086 . 0 0 "[ . 1 . 2]" 1
19 1 12 ARG HB2 1 13 VAL H . . 4.460 4.135 2.371 4.490 0.030 15 0 "[ . 1 . 2]" 1
20 1 12 ARG HB3 1 13 VAL H . . 4.460 3.990 2.249 4.440 . 0 0 "[ . 1 . 2]" 1
21 1 13 VAL H 1 13 VAL HB . . 3.700 3.181 2.549 3.706 0.006 7 0 "[ . 1 . 2]" 1
22 1 13 VAL H 1 13 VAL QG . . 3.520 2.299 1.846 2.996 . 0 0 "[ . 1 . 2]" 1
23 1 13 VAL H 1 14 LYS H . . 4.560 4.462 4.260 4.596 0.036 6 0 "[ . 1 . 2]" 1
24 1 13 VAL HA 1 13 VAL MG1 . . 3.660 2.474 2.248 3.203 . 0 0 "[ . 1 . 2]" 1
25 1 13 VAL HA 1 13 VAL QG . . 3.060 2.210 2.044 2.378 . 0 0 "[ . 1 . 2]" 1
26 1 13 VAL HA 1 13 VAL MG2 . . 3.660 2.738 2.236 3.200 . 0 0 "[ . 1 . 2]" 1
27 1 13 VAL HA 1 14 LYS H . . 2.720 2.223 2.144 2.483 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL HA 1 14 LYS HA . . 5.500 4.348 4.295 4.399 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL HB 1 14 LYS H . . 4.180 3.533 2.215 4.176 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL QG 1 14 LYS H . . 4.140 2.717 1.941 3.660 . 0 0 "[ . 1 . 2]" 1
31 1 14 LYS H 1 14 LYS HB2 . . 3.780 2.966 2.188 3.719 . 0 0 "[ . 1 . 2]" 1
32 1 14 LYS H 1 14 LYS QB . . 3.180 2.461 2.167 2.980 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS H 1 14 LYS HB3 . . 3.780 2.969 2.383 3.694 . 0 0 "[ . 1 . 2]" 1
34 1 14 LYS H 1 14 LYS QG . . 4.360 2.897 1.895 4.135 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS HA 1 14 LYS QG . . 3.620 2.938 2.269 3.440 . 0 0 "[ . 1 . 2]" 1
36 1 14 LYS HA 1 15 VAL H . . 2.650 2.198 2.140 2.440 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS HA 1 15 VAL HA . . 5.500 4.400 4.356 4.517 . 0 0 "[ . 1 . 2]" 1
38 1 14 LYS QB 1 15 VAL H . . 3.840 3.253 2.370 3.842 0.002 4 0 "[ . 1 . 2]" 1
39 1 14 LYS HB2 1 15 VAL H . . 4.380 3.743 2.395 4.392 0.012 11 0 "[ . 1 . 2]" 1
40 1 14 LYS HB3 1 15 VAL H . . 4.380 3.889 3.212 4.405 0.025 15 0 "[ . 1 . 2]" 1
41 1 14 LYS QE 1 14 LYS QG . . 3.000 2.252 2.041 2.573 . 0 0 "[ . 1 . 2]" 1
42 1 15 VAL H 1 15 VAL HB . . 3.270 2.810 2.506 3.266 . 0 0 "[ . 1 . 2]" 1
43 1 15 VAL H 1 15 VAL QG . . 3.240 2.578 1.935 3.037 . 0 0 "[ . 1 . 2]" 1
44 1 15 VAL H 1 16 GLU H . . 4.550 4.222 3.700 4.548 . 0 0 "[ . 1 . 2]" 1
45 1 15 VAL HA 1 16 GLU H . . 2.560 2.177 2.142 2.296 . 0 0 "[ . 1 . 2]" 1
46 1 15 VAL HB 1 16 GLU H . . 4.770 4.247 3.987 4.482 . 0 0 "[ . 1 . 2]" 1
47 1 15 VAL QG 1 16 GLU H . . 4.020 2.576 1.928 3.384 . 0 0 "[ . 1 . 2]" 1
48 1 16 GLU H 1 16 GLU HB2 . . 3.800 3.029 2.269 3.785 . 0 0 "[ . 1 . 2]" 1
49 1 16 GLU H 1 16 GLU QB . . 2.960 2.486 2.244 2.738 . 0 0 "[ . 1 . 2]" 1
50 1 16 GLU H 1 16 GLU HB3 . . 3.800 3.146 2.322 3.804 0.004 10 0 "[ . 1 . 2]" 1
51 1 16 GLU H 1 16 GLU QG . . 3.560 2.611 1.959 3.561 0.001 10 0 "[ . 1 . 2]" 1
52 1 16 GLU HA 1 17 PRO HD2 . . 3.040 2.268 2.035 2.389 . 0 0 "[ . 1 . 2]" 1
53 1 16 GLU HA 1 17 PRO HD3 . . 3.040 2.268 2.251 2.293 . 0 0 "[ . 1 . 2]" 1
54 1 16 GLU HA 1 17 PRO QG . . 4.540 3.923 3.802 3.994 . 0 0 "[ . 1 . 2]" 1
55 1 16 GLU QB 1 17 PRO QD . . 3.020 2.291 1.975 2.816 . 0 0 "[ . 1 . 2]" 1
56 1 16 GLU QG 1 17 PRO HD2 . . 4.690 3.430 2.815 3.860 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLU QG 1 17 PRO QD . . 4.000 3.308 2.745 3.683 . 0 0 "[ . 1 . 2]" 1
58 1 16 GLU QG 1 17 PRO HD3 . . 4.690 4.355 3.801 4.715 0.025 19 0 "[ . 1 . 2]" 1
59 1 17 PRO HA 1 18 ALA H . . 2.610 2.185 2.151 2.383 . 0 0 "[ . 1 . 2]" 1
60 1 17 PRO HA 1 18 ALA MB . . 4.180 3.978 3.910 4.038 . 0 0 "[ . 1 . 2]" 1
61 1 17 PRO HA 1 19 VAL H . . 4.310 3.630 3.433 4.018 . 0 0 "[ . 1 . 2]" 1
62 1 17 PRO HA 1 104 VAL MG2 . . 4.680 2.986 2.367 3.592 . 0 0 "[ . 1 . 2]" 1
63 1 17 PRO QB 1 18 ALA H . . 3.440 3.201 2.578 3.437 . 0 0 "[ . 1 . 2]" 1
64 1 17 PRO QB 1 19 VAL H . . 3.840 2.660 2.242 3.147 . 0 0 "[ . 1 . 2]" 1
65 1 17 PRO QB 1 104 VAL MG2 . . 3.070 2.419 1.779 3.003 . 0 0 "[ . 1 . 2]" 1
66 1 17 PRO HB2 1 18 ALA H . . 4.150 3.399 2.658 3.687 . 0 0 "[ . 1 . 2]" 1
67 1 17 PRO HB2 1 19 VAL H . . 4.500 2.700 2.255 3.239 . 0 0 "[ . 1 . 2]" 1
68 1 17 PRO HB2 1 104 VAL MG2 . . 3.630 3.053 2.512 3.615 . 0 0 "[ . 1 . 2]" 1
69 1 17 PRO HB3 1 18 ALA H . . 4.150 3.917 3.476 4.107 . 0 0 "[ . 1 . 2]" 1
70 1 17 PRO HB3 1 19 VAL H . . 4.500 4.054 3.927 4.278 . 0 0 "[ . 1 . 2]" 1
71 1 17 PRO HB3 1 104 VAL MG2 . . 3.630 2.549 1.807 3.209 . 0 0 "[ . 1 . 2]" 1
72 1 18 ALA H 1 18 ALA MB . . 2.800 2.406 2.295 2.514 . 0 0 "[ . 1 . 2]" 1
73 1 18 ALA H 1 19 VAL H . . 3.500 2.451 2.198 2.784 . 0 0 "[ . 1 . 2]" 1
74 1 18 ALA H 1 19 VAL MG1 . . 4.800 3.488 3.060 3.886 . 0 0 "[ . 1 . 2]" 1
75 1 18 ALA H 1 104 VAL MG2 . . 3.950 3.356 2.606 3.946 . 0 0 "[ . 1 . 2]" 1
76 1 18 ALA HA 1 19 VAL H . . 3.170 3.082 3.043 3.162 . 0 0 "[ . 1 . 2]" 1
77 1 18 ALA MB 1 19 VAL H . . 3.530 3.509 3.431 3.544 0.014 8 0 "[ . 1 . 2]" 1
78 1 18 ALA MB 1 19 VAL HB . . 4.180 3.962 3.802 4.159 . 0 0 "[ . 1 . 2]" 1
79 1 19 VAL H 1 19 VAL HB . . 3.350 3.187 3.019 3.352 0.002 15 0 "[ . 1 . 2]" 1
80 1 19 VAL H 1 19 VAL MG1 . . 3.190 2.344 2.063 2.530 . 0 0 "[ . 1 . 2]" 1
81 1 19 VAL H 1 19 VAL MG2 . . 4.160 3.960 3.877 4.016 . 0 0 "[ . 1 . 2]" 1
82 1 19 VAL H 1 20 ASP H . . 4.610 4.408 4.331 4.473 . 0 0 "[ . 1 . 2]" 1
83 1 19 VAL H 1 20 ASP HA . . 5.060 4.831 4.722 4.961 . 0 0 "[ . 1 . 2]" 1
84 1 19 VAL H 1 104 VAL MG2 . . 3.890 3.376 2.905 3.790 . 0 0 "[ . 1 . 2]" 1
85 1 19 VAL HA 1 19 VAL MG1 . . 3.590 3.187 3.177 3.199 . 0 0 "[ . 1 . 2]" 1
86 1 19 VAL HA 1 19 VAL MG2 . . 3.210 2.281 2.140 2.413 . 0 0 "[ . 1 . 2]" 1
87 1 19 VAL HA 1 20 ASP H . . 2.930 2.302 2.189 2.361 . 0 0 "[ . 1 . 2]" 1
88 1 19 VAL HB 1 20 ASP H . . 4.070 3.963 3.893 4.057 . 0 0 "[ . 1 . 2]" 1
89 1 19 VAL HB 1 21 THR MG . . 4.340 4.041 3.569 4.336 . 0 0 "[ . 1 . 2]" 1
90 1 19 VAL HB 1 104 VAL MG2 . . 4.820 4.080 3.658 4.827 0.007 17 0 "[ . 1 . 2]" 1
91 1 19 VAL MG1 1 20 ASP H . . 4.180 3.505 3.277 3.984 . 0 0 "[ . 1 . 2]" 1
92 1 19 VAL MG1 1 51 LEU MD1 . . 4.370 4.267 4.001 4.403 0.033 9 0 "[ . 1 . 2]" 1
93 1 19 VAL MG1 1 101 TYR QD . . 3.860 3.130 2.561 3.753 . 0 0 "[ . 1 . 2]" 1
94 1 19 VAL MG1 1 101 TYR QE . . 5.080 4.354 3.446 5.014 . 0 0 "[ . 1 . 2]" 1
95 1 19 VAL MG1 1 102 ASP QB . . 3.690 2.441 2.046 2.904 . 0 0 "[ . 1 . 2]" 1
96 1 19 VAL MG1 1 104 VAL HB . . 4.110 2.443 2.117 3.101 . 0 0 "[ . 1 . 2]" 1
97 1 19 VAL MG2 1 20 ASP H . . 3.760 1.979 1.864 2.403 . 0 0 "[ . 1 . 2]" 1
98 1 19 VAL MG2 1 20 ASP QB . . 4.030 3.564 3.222 4.079 0.049 17 0 "[ . 1 . 2]" 1
99 1 19 VAL MG2 1 21 THR H . . 4.470 2.835 1.915 4.371 . 0 0 "[ . 1 . 2]" 1
100 1 19 VAL MG2 1 21 THR MG . . 2.810 2.178 1.798 2.612 . 0 0 "[ . 1 . 2]" 1
101 1 19 VAL MG2 1 51 LEU QB . . 3.850 3.363 2.893 3.837 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL MG2 1 51 LEU MD1 . . 3.560 3.192 2.597 3.554 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL MG2 1 51 LEU MD2 . . 3.430 2.121 1.750 2.468 . 0 0 "[ . 1 . 2]" 1
104 1 19 VAL MG2 1 101 TYR QD . . 3.470 2.997 2.168 3.390 . 0 0 "[ . 1 . 2]" 1
105 1 19 VAL MG2 1 101 TYR QE . . 3.940 3.102 2.402 3.812 . 0 0 "[ . 1 . 2]" 1
106 1 19 VAL MG2 1 102 ASP QB . . 3.720 3.308 2.643 3.715 . 0 0 "[ . 1 . 2]" 1
107 1 20 ASP H 1 20 ASP HB2 . . 3.730 2.668 2.195 3.577 . 0 0 "[ . 1 . 2]" 1
108 1 20 ASP H 1 20 ASP QB . . 3.190 2.497 2.174 2.972 . 0 0 "[ . 1 . 2]" 1
109 1 20 ASP H 1 20 ASP HB3 . . 3.730 3.340 2.437 3.703 . 0 0 "[ . 1 . 2]" 1
110 1 20 ASP H 1 21 THR H . . 4.350 3.052 2.220 4.326 . 0 0 "[ . 1 . 2]" 1
111 1 20 ASP H 1 51 LEU MD1 . . 5.120 4.993 4.408 5.129 0.009 20 0 "[ . 1 . 2]" 1
112 1 20 ASP H 1 51 LEU MD2 . . 4.440 3.102 2.663 3.440 . 0 0 "[ . 1 . 2]" 1
113 1 20 ASP QB 1 21 THR H . . 3.570 2.581 2.013 3.491 . 0 0 "[ . 1 . 2]" 1
114 1 20 ASP QB 1 51 LEU MD2 . . 4.540 2.947 2.273 3.963 . 0 0 "[ . 1 . 2]" 1
115 1 20 ASP HB2 1 21 THR H . . 4.130 3.028 2.128 4.153 0.023 12 0 "[ . 1 . 2]" 1
116 1 20 ASP HB2 1 22 SER H . . 4.770 3.765 2.647 4.663 . 0 0 "[ . 1 . 2]" 1
117 1 20 ASP HB3 1 21 THR H . . 4.130 3.207 2.026 4.149 0.019 20 0 "[ . 1 . 2]" 1
118 1 20 ASP HB3 1 22 SER H . . 4.770 3.391 2.592 4.772 0.002 20 0 "[ . 1 . 2]" 1
119 1 21 THR H 1 21 THR MG . . 3.300 2.579 2.205 2.868 . 0 0 "[ . 1 . 2]" 1
120 1 21 THR H 1 22 SER H . . 3.280 2.938 2.536 3.209 . 0 0 "[ . 1 . 2]" 1
121 1 21 THR H 1 51 LEU MD2 . . 4.760 2.638 1.804 4.433 . 0 0 "[ . 1 . 2]" 1
122 1 21 THR HA 1 21 THR MG . . 3.430 2.284 2.042 2.475 . 0 0 "[ . 1 . 2]" 1
123 1 21 THR HA 1 23 ARG H . . 4.010 3.392 3.105 3.612 . 0 0 "[ . 1 . 2]" 1
124 1 21 THR HA 1 24 ILE HB . . 4.920 4.250 4.050 4.581 . 0 0 "[ . 1 . 2]" 1
125 1 21 THR HA 1 24 ILE MD . . 3.620 2.625 2.231 3.609 . 0 0 "[ . 1 . 2]" 1
126 1 21 THR HA 1 24 ILE HG12 . . 4.650 3.727 2.596 4.246 . 0 0 "[ . 1 . 2]" 1
127 1 21 THR HA 1 24 ILE QG . . 4.000 2.330 2.068 2.611 . 0 0 "[ . 1 . 2]" 1
128 1 21 THR HA 1 24 ILE HG13 . . 4.650 2.369 2.085 2.726 . 0 0 "[ . 1 . 2]" 1
129 1 21 THR HA 1 51 LEU MD1 . . 3.710 2.355 1.966 2.933 . 0 0 "[ . 1 . 2]" 1
130 1 21 THR HA 1 51 LEU MD2 . . 3.810 2.854 2.531 3.190 . 0 0 "[ . 1 . 2]" 1
131 1 21 THR HB 1 22 SER H . . 4.660 4.405 4.326 4.508 . 0 0 "[ . 1 . 2]" 1
132 1 21 THR HB 1 106 ILE HA . . 4.560 3.368 2.795 4.043 . 0 0 "[ . 1 . 2]" 1
133 1 21 THR MG 1 22 SER H . . 4.340 4.333 4.248 4.368 0.028 2 0 "[ . 1 . 2]" 1
134 1 21 THR MG 1 24 ILE H . . 5.500 5.377 5.072 5.518 0.018 18 0 "[ . 1 . 2]" 1
135 1 21 THR MG 1 51 LEU MD1 . . 3.830 2.016 1.780 2.624 . 0 0 "[ . 1 . 2]" 1
136 1 21 THR MG 1 51 LEU MD2 . . 3.640 2.320 1.920 3.234 . 0 0 "[ . 1 . 2]" 1
137 1 21 THR MG 1 101 TYR H . . 3.980 3.694 2.994 3.997 0.017 13 0 "[ . 1 . 2]" 1
138 1 21 THR MG 1 101 TYR HB2 . . 3.750 2.950 2.587 3.528 . 0 0 "[ . 1 . 2]" 1
139 1 21 THR MG 1 101 TYR HB3 . . 3.750 1.875 1.766 1.977 . 0 0 "[ . 1 . 2]" 1
140 1 21 THR MG 1 101 TYR QD . . 4.130 2.781 2.400 3.215 . 0 0 "[ . 1 . 2]" 1
141 1 21 THR MG 1 104 VAL HB . . 3.410 2.980 2.189 3.411 0.001 3 0 "[ . 1 . 2]" 1
142 1 21 THR MG 1 106 ILE HA . . 4.960 4.578 3.520 4.986 0.026 12 0 "[ . 1 . 2]" 1
143 1 22 SER H 1 22 SER HB2 . . 3.490 2.903 2.318 3.661 0.171 6 0 "[ . 1 . 2]" 1
144 1 22 SER H 1 22 SER HB3 . . 3.490 3.092 2.478 3.546 0.056 9 0 "[ . 1 . 2]" 1
145 1 22 SER H 1 23 ARG H . . 3.660 1.995 1.788 2.359 . 0 0 "[ . 1 . 2]" 1
146 1 22 SER H 1 23 ARG HA . . 4.880 4.698 4.520 4.927 0.047 6 0 "[ . 1 . 2]" 1
147 1 22 SER H 1 23 ARG QG . . 4.550 3.617 2.976 4.298 . 0 0 "[ . 1 . 2]" 1
148 1 22 SER H 1 24 ILE H . . 4.650 3.897 3.318 4.199 . 0 0 "[ . 1 . 2]" 1
149 1 22 SER H 1 24 ILE HB . . 5.500 5.371 4.882 5.523 0.023 18 0 "[ . 1 . 2]" 1
150 1 22 SER H 1 24 ILE QG . . 5.340 3.933 3.633 4.511 . 0 0 "[ . 1 . 2]" 1
151 1 22 SER H 1 50 PRO QG . . 5.350 4.803 3.682 5.362 0.012 20 0 "[ . 1 . 2]" 1
152 1 22 SER H 1 51 LEU MD2 . . 5.080 4.019 3.556 4.677 . 0 0 "[ . 1 . 2]" 1
153 1 22 SER H 1 107 PRO HG3 . . 5.110 4.880 4.732 5.020 . 0 0 "[ . 1 . 2]" 1
154 1 22 SER HA 1 24 ILE H . . 3.930 3.782 3.566 3.929 . 0 0 "[ . 1 . 2]" 1
155 1 22 SER HA 1 107 PRO HB2 . . 4.880 4.655 4.544 4.877 . 0 0 "[ . 1 . 2]" 1
156 1 22 SER HA 1 107 PRO HB3 . . 4.500 3.963 3.659 4.123 . 0 0 "[ . 1 . 2]" 1
157 1 22 SER HA 1 107 PRO HG2 . . 3.890 3.321 2.932 3.855 . 0 0 "[ . 1 . 2]" 1
158 1 22 SER HA 1 107 PRO HG3 . . 3.810 2.036 1.964 2.298 . 0 0 "[ . 1 . 2]" 1
159 1 23 ARG H 1 23 ARG HB2 . . 3.960 2.843 2.476 3.791 . 0 0 "[ . 1 . 2]" 1
160 1 23 ARG H 1 23 ARG QB . . 3.290 2.661 2.439 3.056 . 0 0 "[ . 1 . 2]" 1
161 1 23 ARG H 1 23 ARG HB3 . . 3.960 3.631 3.130 3.836 . 0 0 "[ . 1 . 2]" 1
162 1 23 ARG H 1 23 ARG QD . . 4.380 3.933 2.247 4.380 . 0 0 "[ . 1 . 2]" 1
163 1 23 ARG H 1 23 ARG QG . . 3.460 2.692 1.944 3.273 . 0 0 "[ . 1 . 2]" 1
164 1 23 ARG H 1 24 ILE H . . 3.220 2.417 2.091 2.657 . 0 0 "[ . 1 . 2]" 1
165 1 23 ARG H 1 24 ILE HB . . 4.790 4.455 4.151 4.653 . 0 0 "[ . 1 . 2]" 1
166 1 23 ARG H 1 24 ILE MD . . 4.960 4.701 4.514 4.905 . 0 0 "[ . 1 . 2]" 1
167 1 23 ARG H 1 24 ILE QG . . 4.790 3.287 3.048 3.596 . 0 0 "[ . 1 . 2]" 1
168 1 23 ARG H 1 107 PRO HG2 . . 5.500 5.453 5.282 5.546 0.046 12 0 "[ . 1 . 2]" 1
169 1 23 ARG HA 1 23 ARG HG2 . . 4.000 2.959 2.499 3.693 . 0 0 "[ . 1 . 2]" 1
170 1 23 ARG HA 1 23 ARG QG . . 3.370 2.665 2.339 3.343 . 0 0 "[ . 1 . 2]" 1
171 1 23 ARG HA 1 23 ARG HG3 . . 4.000 3.105 2.509 3.936 . 0 0 "[ . 1 . 2]" 1
172 1 23 ARG QB 1 24 ILE H . . 3.960 3.753 3.394 4.021 0.061 16 0 "[ . 1 . 2]" 1
173 1 23 ARG HB2 1 23 ARG QD . . 3.650 2.396 2.078 3.274 . 0 0 "[ . 1 . 2]" 1
174 1 23 ARG HB2 1 24 ILE H . . 4.720 4.055 3.530 4.424 . 0 0 "[ . 1 . 2]" 1
175 1 23 ARG HB3 1 23 ARG QD . . 3.650 2.607 2.135 3.214 . 0 0 "[ . 1 . 2]" 1
176 1 23 ARG HB3 1 24 ILE H . . 4.720 4.449 4.263 4.616 . 0 0 "[ . 1 . 2]" 1
177 1 23 ARG QD 1 50 PRO HB2 . . 5.030 4.855 3.915 5.058 0.028 14 0 "[ . 1 . 2]" 1
178 1 23 ARG QD 1 50 PRO QB . . 4.430 4.174 3.528 4.431 0.001 2 0 "[ . 1 . 2]" 1
179 1 23 ARG QD 1 50 PRO HB3 . . 5.030 4.564 3.770 4.953 . 0 0 "[ . 1 . 2]" 1
180 1 23 ARG QD 1 50 PRO QG . . 4.120 2.750 2.001 3.229 . 0 0 "[ . 1 . 2]" 1
181 1 23 ARG QG 1 24 ILE H . . 4.710 4.267 3.243 4.650 . 0 0 "[ . 1 . 2]" 1
182 1 24 ILE H 1 24 ILE HB . . 3.100 2.375 2.312 2.448 . 0 0 "[ . 1 . 2]" 1
183 1 24 ILE H 1 24 ILE MD . . 4.030 3.895 3.682 4.043 0.013 7 0 "[ . 1 . 2]" 1
184 1 24 ILE H 1 24 ILE HG12 . . 3.920 3.605 2.677 3.869 . 0 0 "[ . 1 . 2]" 1
185 1 24 ILE H 1 24 ILE QG . . 3.370 2.538 2.263 2.711 . 0 0 "[ . 1 . 2]" 1
186 1 24 ILE H 1 24 ILE HG13 . . 3.920 2.642 2.292 3.744 . 0 0 "[ . 1 . 2]" 1
187 1 24 ILE H 1 24 ILE MG . . 3.920 3.725 3.688 3.757 . 0 0 "[ . 1 . 2]" 1
188 1 24 ILE H 1 25 LYS H . . 4.720 4.501 4.435 4.571 . 0 0 "[ . 1 . 2]" 1
189 1 24 ILE H 1 51 LEU MD1 . . 4.730 4.414 3.758 4.648 . 0 0 "[ . 1 . 2]" 1
190 1 24 ILE H 1 106 ILE HB . . 4.750 4.735 4.560 4.800 0.050 14 0 "[ . 1 . 2]" 1
191 1 24 ILE H 1 106 ILE MD . . 5.300 5.215 5.053 5.327 0.027 14 0 "[ . 1 . 2]" 1
192 1 24 ILE H 1 107 PRO HD2 . . 4.190 3.897 3.558 4.124 . 0 0 "[ . 1 . 2]" 1
193 1 24 ILE H 1 107 PRO HD3 . . 5.200 4.936 4.502 5.214 0.014 17 0 "[ . 1 . 2]" 1
194 1 24 ILE H 1 107 PRO HG2 . . 4.910 4.356 3.837 4.914 0.004 18 0 "[ . 1 . 2]" 1
195 1 24 ILE H 1 107 PRO HG3 . . 5.120 4.580 4.012 5.098 . 0 0 "[ . 1 . 2]" 1
196 1 24 ILE HA 1 24 ILE MD . . 4.080 3.662 2.317 3.791 . 0 0 "[ . 1 . 2]" 1
197 1 24 ILE HA 1 24 ILE HG12 . . 4.190 2.376 2.324 2.688 . 0 0 "[ . 1 . 2]" 1
198 1 24 ILE HA 1 24 ILE HG13 . . 4.190 3.020 2.863 3.686 . 0 0 "[ . 1 . 2]" 1
199 1 24 ILE HA 1 24 ILE MG . . 3.610 2.469 2.434 2.518 . 0 0 "[ . 1 . 2]" 1
200 1 24 ILE HA 1 25 LYS H . . 2.820 2.149 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
201 1 24 ILE HA 1 25 LYS QG . . 4.660 4.347 4.031 4.521 . 0 0 "[ . 1 . 2]" 1
202 1 24 ILE HB 1 24 ILE MD . . 3.610 2.500 2.395 3.196 . 0 0 "[ . 1 . 2]" 1
203 1 24 ILE HB 1 25 LYS H . . 4.360 4.296 4.099 4.368 0.008 6 0 "[ . 1 . 2]" 1
204 1 24 ILE HB 1 51 LEU MD1 . . 4.910 4.111 3.886 4.313 . 0 0 "[ . 1 . 2]" 1
205 1 24 ILE HB 1 106 ILE HB . . 4.490 3.338 2.870 3.636 . 0 0 "[ . 1 . 2]" 1
206 1 24 ILE HB 1 106 ILE MG . . 4.060 2.208 1.957 2.672 . 0 0 "[ . 1 . 2]" 1
207 1 24 ILE HB 1 107 PRO HD2 . . 4.160 3.574 2.840 3.827 . 0 0 "[ . 1 . 2]" 1
208 1 24 ILE HB 1 107 PRO HD3 . . 5.330 5.038 4.336 5.321 . 0 0 "[ . 1 . 2]" 1
209 1 24 ILE MD 1 24 ILE MG . . 2.980 1.914 1.835 2.021 . 0 0 "[ . 1 . 2]" 1
210 1 24 ILE MD 1 25 LYS H . . 5.090 4.872 3.161 5.064 . 0 0 "[ . 1 . 2]" 1
211 1 24 ILE MD 1 48 SER HA . . 4.830 4.397 2.783 4.727 . 0 0 "[ . 1 . 2]" 1
212 1 24 ILE MD 1 48 SER QB . . 3.720 3.517 2.604 3.730 0.010 6 0 "[ . 1 . 2]" 1
213 1 24 ILE MD 1 51 LEU QB . . 4.250 3.776 3.382 4.021 . 0 0 "[ . 1 . 2]" 1
214 1 24 ILE MD 1 51 LEU MD1 . . 2.950 1.778 1.644 1.918 . 0 0 "[ . 1 . 2]" 1
215 1 24 ILE MD 1 51 LEU HG . . 4.090 3.877 2.653 4.090 . 17 0 "[ . 1 . 2]" 1
216 1 24 ILE MD 1 101 TYR H . . 5.410 4.638 4.251 5.403 . 0 0 "[ . 1 . 2]" 1
217 1 24 ILE MD 1 101 TYR HB2 . . 4.330 2.929 2.527 3.262 . 0 0 "[ . 1 . 2]" 1
218 1 24 ILE MD 1 101 TYR HB3 . . 4.330 3.182 2.650 3.727 . 0 0 "[ . 1 . 2]" 1
219 1 24 ILE MD 1 101 TYR QD . . 3.880 2.668 2.182 2.902 . 0 0 "[ . 1 . 2]" 1
220 1 24 ILE MD 1 101 TYR QE . . 3.930 3.745 3.343 3.943 0.013 15 0 "[ . 1 . 2]" 1
221 1 24 ILE MD 1 106 ILE HB . . 5.500 4.079 3.679 5.126 . 0 0 "[ . 1 . 2]" 1
222 1 24 ILE MD 1 106 ILE MG . . 3.430 1.960 1.757 3.043 . 0 0 "[ . 1 . 2]" 1
223 1 24 ILE QG 1 24 ILE MG . . 3.310 2.374 2.278 2.412 . 0 0 "[ . 1 . 2]" 1
224 1 24 ILE QG 1 25 LYS H . . 4.420 3.975 3.761 4.354 . 0 0 "[ . 1 . 2]" 1
225 1 24 ILE QG 1 48 SER HA . . 4.740 3.461 3.154 4.629 . 0 0 "[ . 1 . 2]" 1
226 1 24 ILE QG 1 51 LEU MD1 . . 3.350 1.898 1.716 2.104 . 0 0 "[ . 1 . 2]" 1
227 1 24 ILE QG 1 51 LEU MD2 . . 3.930 3.559 3.440 3.734 . 0 0 "[ . 1 . 2]" 1
228 1 24 ILE QG 1 51 LEU HG . . 4.440 3.477 3.165 3.781 . 0 0 "[ . 1 . 2]" 1
229 1 24 ILE HG12 1 25 LYS H . . 5.160 4.167 3.911 4.691 . 0 0 "[ . 1 . 2]" 1
230 1 24 ILE HG12 1 51 LEU MD1 . . 3.900 2.088 1.931 2.299 . 0 0 "[ . 1 . 2]" 1
231 1 24 ILE HG12 1 51 LEU MD2 . . 4.520 4.188 3.773 4.396 . 0 0 "[ . 1 . 2]" 1
232 1 24 ILE HG13 1 25 LYS H . . 5.160 5.030 4.870 5.175 0.015 14 0 "[ . 1 . 2]" 1
233 1 24 ILE HG13 1 51 LEU MD1 . . 3.900 2.224 1.922 2.597 . 0 0 "[ . 1 . 2]" 1
234 1 24 ILE HG13 1 51 LEU MD2 . . 4.520 3.877 3.684 4.506 . 0 0 "[ . 1 . 2]" 1
235 1 24 ILE MG 1 25 LYS H . . 3.280 2.442 2.003 2.620 . 0 0 "[ . 1 . 2]" 1
236 1 24 ILE MG 1 25 LYS HA . . 4.520 3.546 3.283 3.695 . 0 0 "[ . 1 . 2]" 1
237 1 24 ILE MG 1 106 ILE HB . . 3.850 3.790 3.095 3.877 0.027 14 0 "[ . 1 . 2]" 1
238 1 24 ILE MG 1 106 ILE MD . . 2.910 2.483 2.037 2.675 . 0 0 "[ . 1 . 2]" 1
239 1 24 ILE MG 1 106 ILE MG . . 3.190 2.504 1.997 2.744 . 0 0 "[ . 1 . 2]" 1
240 1 25 LYS H 1 25 LYS HB2 . . 3.510 2.404 2.291 2.693 . 0 0 "[ . 1 . 2]" 1
241 1 25 LYS H 1 25 LYS HB3 . . 3.840 3.587 3.516 3.702 . 0 0 "[ . 1 . 2]" 1
242 1 25 LYS H 1 25 LYS QG . . 3.710 3.300 3.034 3.632 . 0 0 "[ . 1 . 2]" 1
243 1 25 LYS H 1 26 VAL H . . 4.520 4.470 4.334 4.534 0.014 13 0 "[ . 1 . 2]" 1
244 1 25 LYS H 1 47 ASP H . . 4.040 3.703 3.400 4.051 0.011 7 0 "[ . 1 . 2]" 1
245 1 25 LYS H 1 47 ASP HB2 . . 4.980 4.473 3.167 4.948 . 0 0 "[ . 1 . 2]" 1
246 1 25 LYS H 1 47 ASP QB . . 4.110 3.280 2.847 3.633 . 0 0 "[ . 1 . 2]" 1
247 1 25 LYS H 1 47 ASP HB3 . . 4.980 3.434 2.901 4.012 . 0 0 "[ . 1 . 2]" 1
248 1 25 LYS HA 1 25 LYS QD . . 4.420 3.364 2.120 4.073 . 0 0 "[ . 1 . 2]" 1
249 1 25 LYS HA 1 26 VAL H . . 2.850 2.248 2.149 2.413 . 0 0 "[ . 1 . 2]" 1
250 1 25 LYS HA 1 26 VAL MG1 . . 4.850 3.745 3.455 4.051 . 0 0 "[ . 1 . 2]" 1
251 1 25 LYS HB2 1 25 LYS QD . . 3.770 2.765 2.100 3.426 . 0 0 "[ . 1 . 2]" 1
252 1 25 LYS HB2 1 26 VAL H . . 4.460 4.152 3.862 4.378 . 0 0 "[ . 1 . 2]" 1
253 1 25 LYS HB2 1 27 PHE QD . . 4.660 4.462 4.080 4.657 . 0 0 "[ . 1 . 2]" 1
254 1 25 LYS HB2 1 47 ASP HB2 . . 4.510 3.995 2.725 4.501 . 0 0 "[ . 1 . 2]" 1
255 1 25 LYS HB2 1 47 ASP QB . . 3.880 3.016 2.604 3.454 . 0 0 "[ . 1 . 2]" 1
256 1 25 LYS HB2 1 47 ASP HB3 . . 4.510 3.191 2.677 3.676 . 0 0 "[ . 1 . 2]" 1
257 1 25 LYS HB3 1 25 LYS QD . . 3.610 2.405 2.077 2.661 . 0 0 "[ . 1 . 2]" 1
258 1 25 LYS HB3 1 25 LYS QE . . 4.650 3.472 2.170 4.250 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS HB3 1 26 VAL H . . 3.350 2.961 2.476 3.360 0.010 8 0 "[ . 1 . 2]" 1
260 1 25 LYS HB3 1 27 PHE QD . . 4.310 3.336 3.082 3.561 . 0 0 "[ . 1 . 2]" 1
261 1 25 LYS HB3 1 47 ASP H . . 5.030 4.714 4.326 4.972 . 0 0 "[ . 1 . 2]" 1
262 1 25 LYS HB3 1 47 ASP HB2 . . 4.810 4.528 3.431 4.834 0.024 1 0 "[ . 1 . 2]" 1
263 1 25 LYS HB3 1 47 ASP HB3 . . 4.810 4.311 3.515 4.799 . 0 0 "[ . 1 . 2]" 1
264 1 25 LYS QD 1 27 PHE QD . . 4.860 4.605 4.307 4.797 . 0 0 "[ . 1 . 2]" 1
265 1 25 LYS QE 1 25 LYS QG . . 3.180 2.240 2.066 2.512 . 0 0 "[ . 1 . 2]" 1
266 1 25 LYS QG 1 26 VAL H . . 4.590 3.782 3.281 4.392 . 0 0 "[ . 1 . 2]" 1
267 1 25 LYS QG 1 27 PHE QD . . 5.270 5.142 4.860 5.270 0.000 13 0 "[ . 1 . 2]" 1
268 1 26 VAL H 1 26 VAL HB . . 3.950 3.817 3.731 3.891 . 0 0 "[ . 1 . 2]" 1
269 1 26 VAL H 1 26 VAL MG1 . . 3.560 3.072 2.789 3.352 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL H 1 26 VAL MG2 . . 3.290 2.136 1.930 2.370 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL H 1 27 PHE QD . . 4.500 4.333 4.088 4.508 0.008 5 0 "[ . 1 . 2]" 1
272 1 26 VAL HA 1 26 VAL MG1 . . 3.510 2.223 2.108 2.402 . 0 0 "[ . 1 . 2]" 1
273 1 26 VAL HA 1 27 PHE H . . 2.730 2.156 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL HA 1 27 PHE QD . . 4.640 3.669 3.315 3.897 . 0 0 "[ . 1 . 2]" 1
275 1 26 VAL HA 1 45 THR H . . 5.000 4.467 4.151 4.698 . 0 0 "[ . 1 . 2]" 1
276 1 26 VAL HA 1 46 VAL HA . . 3.860 2.713 2.521 2.838 . 0 0 "[ . 1 . 2]" 1
277 1 26 VAL HA 1 47 ASP H . . 4.010 3.312 3.123 3.519 . 0 0 "[ . 1 . 2]" 1
278 1 26 VAL HB 1 27 PHE H . . 3.430 3.247 3.044 3.432 0.002 3 0 "[ . 1 . 2]" 1
279 1 26 VAL HB 1 31 ILE QG . . 4.670 3.104 2.793 3.597 . 0 0 "[ . 1 . 2]" 1
280 1 26 VAL HB 1 31 ILE MG . . 3.590 2.810 2.437 3.136 . 0 0 "[ . 1 . 2]" 1
281 1 26 VAL HB 1 44 PHE QD . . 4.570 3.229 3.024 3.515 . 0 0 "[ . 1 . 2]" 1
282 1 26 VAL HB 1 47 ASP H . . 5.500 5.458 5.227 5.513 0.013 14 0 "[ . 1 . 2]" 1
283 1 26 VAL MG1 1 27 PHE H . . 4.060 3.896 3.706 4.068 0.008 14 0 "[ . 1 . 2]" 1
284 1 26 VAL MG1 1 46 VAL HA . . 3.700 2.290 1.971 2.777 . 0 0 "[ . 1 . 2]" 1
285 1 26 VAL MG1 1 47 ASP H . . 3.690 3.470 3.211 3.678 . 0 0 "[ . 1 . 2]" 1
286 1 26 VAL MG1 1 99 VAL MG1 . . 4.130 3.921 3.394 4.135 0.005 7 0 "[ . 1 . 2]" 1
287 1 26 VAL MG1 1 99 VAL MG2 . . 4.500 3.791 3.561 4.003 . 0 0 "[ . 1 . 2]" 1
288 1 26 VAL MG1 1 111 PHE QE . . 4.100 3.364 3.135 3.533 . 0 0 "[ . 1 . 2]" 1
289 1 26 VAL MG1 1 111 PHE HZ . . 3.980 3.065 2.356 3.817 . 0 0 "[ . 1 . 2]" 1
290 1 26 VAL MG2 1 27 PHE H . . 4.120 4.001 3.845 4.123 0.003 5 0 "[ . 1 . 2]" 1
291 1 26 VAL MG2 1 31 ILE HB . . 4.330 3.793 3.513 4.262 . 0 0 "[ . 1 . 2]" 1
292 1 26 VAL MG2 1 31 ILE HG12 . . 3.710 2.065 1.861 2.314 . 0 0 "[ . 1 . 2]" 1
293 1 26 VAL MG2 1 31 ILE QG . . 3.230 2.045 1.843 2.280 . 0 0 "[ . 1 . 2]" 1
294 1 26 VAL MG2 1 31 ILE HG13 . . 3.710 3.323 2.976 3.626 . 0 0 "[ . 1 . 2]" 1
295 1 26 VAL MG2 1 31 ILE MG . . 3.140 2.506 1.968 3.079 . 0 0 "[ . 1 . 2]" 1
296 1 26 VAL MG2 1 44 PHE QD . . 4.610 4.495 4.344 4.604 . 0 0 "[ . 1 . 2]" 1
297 1 26 VAL MG2 1 111 PHE QD . . 3.900 3.834 3.475 3.911 0.011 1 0 "[ . 1 . 2]" 1
298 1 26 VAL MG2 1 111 PHE QE . . 3.860 2.629 2.184 2.879 . 0 0 "[ . 1 . 2]" 1
299 1 26 VAL MG2 1 111 PHE HZ . . 3.910 2.286 1.842 2.595 . 0 0 "[ . 1 . 2]" 1
300 1 27 PHE H 1 27 PHE QD . . 3.850 2.942 2.691 3.168 . 0 0 "[ . 1 . 2]" 1
301 1 27 PHE H 1 27 PHE QE . . 5.310 4.064 3.916 4.262 . 0 0 "[ . 1 . 2]" 1
302 1 27 PHE H 1 28 GLY H . . 4.480 4.398 4.270 4.479 . 0 0 "[ . 1 . 2]" 1
303 1 27 PHE H 1 31 ILE MG . . 3.880 3.757 3.452 3.898 0.018 13 0 "[ . 1 . 2]" 1
304 1 27 PHE H 1 44 PHE QD . . 4.740 4.544 4.364 4.693 . 0 0 "[ . 1 . 2]" 1
305 1 27 PHE H 1 45 THR H . . 3.640 3.161 2.937 3.327 . 0 0 "[ . 1 . 2]" 1
306 1 27 PHE H 1 45 THR HB . . 3.850 3.536 3.248 3.808 . 0 0 "[ . 1 . 2]" 1
307 1 27 PHE H 1 45 THR MG . . 5.240 4.509 4.208 4.797 . 0 0 "[ . 1 . 2]" 1
308 1 27 PHE H 1 46 VAL HA . . 4.240 4.043 3.786 4.213 . 0 0 "[ . 1 . 2]" 1
309 1 27 PHE H 1 46 VAL MG2 . . 5.500 4.734 4.448 4.930 . 0 0 "[ . 1 . 2]" 1
310 1 27 PHE H 1 47 ASP H . . 4.920 4.608 4.198 4.856 . 0 0 "[ . 1 . 2]" 1
311 1 27 PHE QB 1 28 GLY H . . 3.180 2.862 2.384 3.100 . 0 0 "[ . 1 . 2]" 1
312 1 27 PHE HB2 1 28 GLY H . . 4.050 2.953 2.423 3.229 . 0 0 "[ . 1 . 2]" 1
313 1 27 PHE HB3 1 28 GLY H . . 4.050 3.863 3.538 4.053 0.003 18 0 "[ . 1 . 2]" 1
314 1 27 PHE QD 1 28 GLY H . . 4.350 4.188 3.706 4.351 0.001 2 0 "[ . 1 . 2]" 1
315 1 27 PHE QD 1 28 GLY HA2 . . 4.710 4.059 3.520 4.302 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE QD 1 28 GLY HA3 . . 4.590 4.253 3.847 4.501 . 0 0 "[ . 1 . 2]" 1
317 1 27 PHE QD 1 45 THR H . . 4.890 4.204 4.017 4.507 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE QD 1 45 THR HB . . 4.540 3.160 2.780 3.612 . 0 0 "[ . 1 . 2]" 1
319 1 27 PHE QD 1 45 THR MG . . 4.570 4.171 3.862 4.549 . 0 0 "[ . 1 . 2]" 1
320 1 27 PHE QD 1 47 ASP QB . . 5.110 3.876 3.377 4.225 . 0 0 "[ . 1 . 2]" 1
321 1 27 PHE QE 1 45 THR HB . . 4.240 2.579 2.295 2.873 . 0 0 "[ . 1 . 2]" 1
322 1 27 PHE QE 1 45 THR MG . . 3.810 2.764 2.330 3.208 . 0 0 "[ . 1 . 2]" 1
323 1 27 PHE QE 1 47 ASP H . . 4.950 3.765 3.336 4.260 . 0 0 "[ . 1 . 2]" 1
324 1 27 PHE QE 1 47 ASP HB2 . . 4.470 2.190 1.997 3.310 . 0 0 "[ . 1 . 2]" 1
325 1 27 PHE QE 1 47 ASP HB3 . . 4.470 3.439 2.868 4.185 . 0 0 "[ . 1 . 2]" 1
326 1 27 PHE HZ 1 45 THR HB . . 5.440 3.503 3.167 4.071 . 0 0 "[ . 1 . 2]" 1
327 1 27 PHE HZ 1 45 THR MG . . 4.140 2.642 1.990 3.179 . 0 0 "[ . 1 . 2]" 1
328 1 27 PHE HZ 1 47 ASP QB . . 5.330 3.433 2.615 4.928 . 0 0 "[ . 1 . 2]" 1
329 1 28 GLY H 1 29 PRO HD2 . . 4.980 4.799 4.768 4.816 . 0 0 "[ . 1 . 2]" 1
330 1 28 GLY H 1 29 PRO HD3 . . 4.900 4.660 4.559 4.763 . 0 0 "[ . 1 . 2]" 1
331 1 28 GLY H 1 31 ILE MG . . 3.880 2.988 2.712 3.203 . 0 0 "[ . 1 . 2]" 1
332 1 28 GLY H 1 32 GLU H . . 4.950 4.467 4.277 4.696 . 0 0 "[ . 1 . 2]" 1
333 1 28 GLY H 1 32 GLU HB2 . . 5.080 4.307 4.185 4.465 . 0 0 "[ . 1 . 2]" 1
334 1 28 GLY H 1 32 GLU HB3 . . 5.360 5.205 5.013 5.366 0.006 17 0 "[ . 1 . 2]" 1
335 1 28 GLY H 1 32 GLU HG2 . . 4.030 2.951 2.601 3.162 . 0 0 "[ . 1 . 2]" 1
336 1 28 GLY H 1 32 GLU HG3 . . 3.760 2.690 2.433 2.861 . 0 0 "[ . 1 . 2]" 1
337 1 28 GLY HA2 1 29 PRO HD2 . . 3.780 2.555 2.444 2.633 . 0 0 "[ . 1 . 2]" 1
338 1 28 GLY HA2 1 29 PRO HD3 . . 3.730 2.372 2.317 2.417 . 0 0 "[ . 1 . 2]" 1
339 1 28 GLY HA2 1 30 GLY H . . 4.870 4.361 4.256 4.475 . 0 0 "[ . 1 . 2]" 1
340 1 28 GLY HA2 1 44 PHE HA . . 4.350 4.068 3.627 4.359 0.009 18 0 "[ . 1 . 2]" 1
341 1 28 GLY HA3 1 29 PRO HD2 . . 3.670 2.472 2.397 2.582 . 0 0 "[ . 1 . 2]" 1
342 1 28 GLY HA3 1 29 PRO HD3 . . 3.540 3.358 3.285 3.460 . 0 0 "[ . 1 . 2]" 1
343 1 28 GLY HA3 1 30 GLY H . . 3.660 3.540 3.430 3.664 0.004 3 0 "[ . 1 . 2]" 1
344 1 28 GLY HA3 1 44 PHE HA . . 4.420 2.440 2.048 2.699 . 0 0 "[ . 1 . 2]" 1
345 1 28 GLY HA3 1 45 THR H . . 4.400 3.363 3.055 3.633 . 0 0 "[ . 1 . 2]" 1
346 1 29 PRO HA 1 31 ILE H . . 3.960 3.784 3.592 3.933 . 0 0 "[ . 1 . 2]" 1
347 1 29 PRO HA 1 32 GLU H . . 3.560 2.990 2.818 3.115 . 0 0 "[ . 1 . 2]" 1
348 1 29 PRO HA 1 32 GLU HB2 . . 3.580 2.189 2.043 2.340 . 0 0 "[ . 1 . 2]" 1
349 1 29 PRO HA 1 32 GLU HB3 . . 4.460 3.805 3.650 3.967 . 0 0 "[ . 1 . 2]" 1
350 1 29 PRO HA 1 32 GLU HG2 . . 4.870 4.327 4.166 4.454 . 0 0 "[ . 1 . 2]" 1
351 1 29 PRO HA 1 32 GLU HG3 . . 3.950 3.837 3.683 3.941 . 0 0 "[ . 1 . 2]" 1
352 1 29 PRO HA 1 33 GLY H . . 3.150 2.523 2.252 2.705 . 0 0 "[ . 1 . 2]" 1
353 1 29 PRO HA 1 34 LYS H . . 3.160 2.502 2.356 2.637 . 0 0 "[ . 1 . 2]" 1
354 1 29 PRO HA 1 34 LYS HB2 . . 3.850 3.242 3.070 3.553 . 0 0 "[ . 1 . 2]" 1
355 1 29 PRO HA 1 34 LYS HB3 . . 4.730 4.572 4.336 4.734 0.004 14 0 "[ . 1 . 2]" 1
356 1 29 PRO HA 1 34 LYS QD . . 4.660 4.001 3.814 4.160 . 0 0 "[ . 1 . 2]" 1
357 1 29 PRO HA 1 34 LYS HG2 . . 4.710 2.354 2.001 3.541 . 0 0 "[ . 1 . 2]" 1
358 1 29 PRO HA 1 34 LYS HG3 . . 4.710 2.977 1.998 3.509 . 0 0 "[ . 1 . 2]" 1
359 1 29 PRO HA 1 36 VAL H . . 5.440 5.338 5.157 5.447 0.007 16 0 "[ . 1 . 2]" 1
360 1 29 PRO HA 1 36 VAL MG2 . . 4.130 3.606 3.417 3.793 . 0 0 "[ . 1 . 2]" 1
361 1 29 PRO HB2 1 30 GLY H . . 3.920 3.241 3.126 3.338 . 0 0 "[ . 1 . 2]" 1
362 1 29 PRO HB2 1 34 LYS HB2 . . 4.480 3.120 2.876 3.441 . 0 0 "[ . 1 . 2]" 1
363 1 29 PRO HB2 1 34 LYS HB3 . . 5.350 4.857 4.631 5.141 . 0 0 "[ . 1 . 2]" 1
364 1 29 PRO HB2 1 34 LYS QD . . 5.500 5.463 5.083 5.522 0.022 9 0 "[ . 1 . 2]" 1
365 1 29 PRO HB2 1 34 LYS QG . . 4.600 3.747 3.554 3.890 . 0 0 "[ . 1 . 2]" 1
366 1 29 PRO HB2 1 36 VAL MG2 . . 4.320 2.702 2.214 3.113 . 0 0 "[ . 1 . 2]" 1
367 1 29 PRO HB2 1 42 THR HG1 . . 4.120 2.964 2.493 3.507 . 0 0 "[ . 1 . 2]" 1
368 1 29 PRO HB2 1 43 ASP H . . 4.830 4.597 4.466 4.747 . 0 0 "[ . 1 . 2]" 1
369 1 29 PRO HB3 1 30 GLY H . . 4.150 4.089 4.023 4.145 . 0 0 "[ . 1 . 2]" 1
370 1 29 PRO HB3 1 33 GLY H . . 4.630 4.400 4.097 4.631 0.001 16 0 "[ . 1 . 2]" 1
371 1 29 PRO HB3 1 34 LYS H . . 3.950 3.190 2.899 3.394 . 0 0 "[ . 1 . 2]" 1
372 1 29 PRO HB3 1 34 LYS HB2 . . 4.070 2.059 1.993 2.207 . 0 0 "[ . 1 . 2]" 1
373 1 29 PRO HB3 1 34 LYS HB3 . . 4.400 3.732 3.595 3.901 . 0 0 "[ . 1 . 2]" 1
374 1 29 PRO HB3 1 34 LYS QD . . 5.190 4.495 3.548 4.753 . 0 0 "[ . 1 . 2]" 1
375 1 29 PRO HB3 1 34 LYS HG2 . . 4.760 3.238 2.802 4.167 . 0 0 "[ . 1 . 2]" 1
376 1 29 PRO HB3 1 34 LYS QG . . 4.020 2.711 2.319 2.920 . 0 0 "[ . 1 . 2]" 1
377 1 29 PRO HB3 1 34 LYS HG3 . . 4.760 3.029 2.337 3.459 . 0 0 "[ . 1 . 2]" 1
378 1 29 PRO HB3 1 36 VAL MG2 . . 4.600 3.956 3.560 4.306 . 0 0 "[ . 1 . 2]" 1
379 1 29 PRO HB3 1 42 THR HG1 . . 5.030 4.465 4.044 4.990 . 0 0 "[ . 1 . 2]" 1
380 1 29 PRO HD2 1 30 GLY H . . 4.260 2.655 2.648 2.674 . 0 0 "[ . 1 . 2]" 1
381 1 29 PRO HD2 1 43 ASP H . . 4.440 4.042 3.811 4.201 . 0 0 "[ . 1 . 2]" 1
382 1 29 PRO HD3 1 30 GLY H . . 4.470 3.840 3.838 3.846 . 0 0 "[ . 1 . 2]" 1
383 1 29 PRO HD3 1 43 ASP H . . 5.500 5.396 5.250 5.505 0.005 17 0 "[ . 1 . 2]" 1
384 1 29 PRO HG2 1 30 GLY H . . 3.810 2.257 2.131 2.372 . 0 0 "[ . 1 . 2]" 1
385 1 29 PRO HG2 1 31 ILE H . . 4.910 4.835 4.748 4.915 0.005 12 0 "[ . 1 . 2]" 1
386 1 29 PRO HG2 1 43 ASP H . . 4.050 2.804 2.725 2.891 . 0 0 "[ . 1 . 2]" 1
387 1 29 PRO HG3 1 30 GLY H . . 3.890 3.799 3.705 3.885 . 0 0 "[ . 1 . 2]" 1
388 1 29 PRO HG3 1 42 THR HG1 . . 4.470 3.756 3.364 4.370 . 0 0 "[ . 1 . 2]" 1
389 1 29 PRO HG3 1 43 ASP H . . 4.250 4.233 4.187 4.268 0.018 15 0 "[ . 1 . 2]" 1
390 1 30 GLY H 1 31 ILE H . . 3.590 2.718 2.632 2.799 . 0 0 "[ . 1 . 2]" 1
391 1 30 GLY H 1 31 ILE MG . . 4.690 4.216 4.046 4.397 . 0 0 "[ . 1 . 2]" 1
392 1 30 GLY H 1 32 GLU H . . 4.480 3.930 3.836 4.011 . 0 0 "[ . 1 . 2]" 1
393 1 30 GLY H 1 36 VAL MG2 . . 4.340 3.680 3.483 3.883 . 0 0 "[ . 1 . 2]" 1
394 1 30 GLY H 1 42 THR HG1 . . 4.480 2.682 2.162 3.196 . 0 0 "[ . 1 . 2]" 1
395 1 30 GLY H 1 42 THR MG . . 4.980 4.083 3.718 4.336 . 0 0 "[ . 1 . 2]" 1
396 1 30 GLY H 1 43 ASP H . . 3.700 3.329 3.125 3.597 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLY H 1 43 ASP HA . . 4.980 4.322 4.200 4.458 . 0 0 "[ . 1 . 2]" 1
398 1 30 GLY H 1 44 PHE HA . . 4.940 3.537 3.267 3.878 . 0 0 "[ . 1 . 2]" 1
399 1 30 GLY H 1 44 PHE HB2 . . 5.170 4.765 4.529 5.065 . 0 0 "[ . 1 . 2]" 1
400 1 30 GLY H 1 44 PHE HB3 . . 4.120 3.326 3.088 3.593 . 0 0 "[ . 1 . 2]" 1
401 1 30 GLY H 1 44 PHE QD . . 4.510 4.310 4.120 4.524 0.014 9 0 "[ . 1 . 2]" 1
402 1 30 GLY H 1 87 TYR QE . . 5.410 5.277 4.947 5.410 0.000 2 0 "[ . 1 . 2]" 1
403 1 30 GLY HA2 1 32 GLU H . . 4.660 4.519 4.408 4.656 . 0 0 "[ . 1 . 2]" 1
404 1 30 GLY HA2 1 33 GLY H . . 4.770 4.539 4.341 4.785 0.015 3 0 "[ . 1 . 2]" 1
405 1 30 GLY HA2 1 36 VAL MG1 . . 4.780 3.216 2.752 3.482 . 0 0 "[ . 1 . 2]" 1
406 1 30 GLY HA2 1 36 VAL MG2 . . 3.620 2.144 1.940 2.466 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLY HA2 1 42 THR MG . . 3.620 2.126 1.930 2.446 . 0 0 "[ . 1 . 2]" 1
408 1 30 GLY HA2 1 43 ASP H . . 4.370 4.162 3.992 4.368 . 0 0 "[ . 1 . 2]" 1
409 1 30 GLY HA2 1 44 PHE QD . . 4.540 4.041 3.747 4.292 . 0 0 "[ . 1 . 2]" 1
410 1 30 GLY HA2 1 87 TYR QE . . 4.470 3.293 3.007 3.562 . 0 0 "[ . 1 . 2]" 1
411 1 30 GLY HA2 1 87 TYR HH . . 4.400 2.906 2.087 3.511 . 0 0 "[ . 1 . 2]" 1
412 1 30 GLY HA2 1 113 VAL MG1 . . 4.390 3.901 3.742 4.199 . 0 0 "[ . 1 . 2]" 1
413 1 30 GLY HA3 1 36 VAL MG2 . . 4.010 3.621 3.450 3.863 . 0 0 "[ . 1 . 2]" 1
414 1 30 GLY HA3 1 42 THR MG . . 3.630 2.968 2.593 3.491 . 0 0 "[ . 1 . 2]" 1
415 1 30 GLY HA3 1 43 ASP H . . 4.240 3.589 3.342 3.803 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLY HA3 1 44 PHE QD . . 4.180 2.569 2.289 2.835 . 0 0 "[ . 1 . 2]" 1
417 1 30 GLY HA3 1 87 TYR QE . . 4.370 3.115 2.752 3.268 . 0 0 "[ . 1 . 2]" 1
418 1 30 GLY HA3 1 87 TYR HH . . 4.430 3.750 3.130 4.177 . 0 0 "[ . 1 . 2]" 1
419 1 31 ILE H 1 31 ILE HB . . 3.540 2.884 2.802 3.022 . 0 0 "[ . 1 . 2]" 1
420 1 31 ILE H 1 31 ILE MD . . 4.370 4.231 4.113 4.310 . 0 0 "[ . 1 . 2]" 1
421 1 31 ILE H 1 31 ILE QG . . 5.020 4.168 4.115 4.231 . 0 0 "[ . 1 . 2]" 1
422 1 31 ILE H 1 31 ILE MG . . 3.080 2.233 2.073 2.344 . 0 0 "[ . 1 . 2]" 1
423 1 31 ILE H 1 32 GLU H . . 2.930 1.922 1.803 1.995 . 0 0 "[ . 1 . 2]" 1
424 1 31 ILE H 1 32 GLU HB2 . . 4.190 4.034 3.896 4.125 . 0 0 "[ . 1 . 2]" 1
425 1 31 ILE H 1 32 GLU HG2 . . 4.300 3.996 3.852 4.118 . 0 0 "[ . 1 . 2]" 1
426 1 31 ILE H 1 32 GLU HG3 . . 5.050 4.904 4.755 4.970 . 0 0 "[ . 1 . 2]" 1
427 1 31 ILE H 1 33 GLY H . . 3.800 3.762 3.636 3.814 0.014 15 0 "[ . 1 . 2]" 1
428 1 31 ILE H 1 36 VAL MG2 . . 4.210 4.069 3.902 4.217 0.007 7 0 "[ . 1 . 2]" 1
429 1 31 ILE H 1 44 PHE HA . . 4.490 4.275 4.048 4.449 . 0 0 "[ . 1 . 2]" 1
430 1 31 ILE H 1 44 PHE HB2 . . 4.220 3.911 3.732 4.048 . 0 0 "[ . 1 . 2]" 1
431 1 31 ILE H 1 44 PHE HB3 . . 3.810 2.608 2.378 2.780 . 0 0 "[ . 1 . 2]" 1
432 1 31 ILE H 1 44 PHE QD . . 4.260 3.949 3.738 4.203 . 0 0 "[ . 1 . 2]" 1
433 1 31 ILE H 1 87 TYR HH . . 5.000 4.766 4.231 4.943 . 0 0 "[ . 1 . 2]" 1
434 1 31 ILE HA 1 31 ILE MD . . 3.010 2.164 1.970 2.383 . 0 0 "[ . 1 . 2]" 1
435 1 31 ILE HA 1 31 ILE QG . . 3.490 2.686 2.527 2.814 . 0 0 "[ . 1 . 2]" 1
436 1 31 ILE HA 1 31 ILE MG . . 3.620 3.184 3.171 3.197 . 0 0 "[ . 1 . 2]" 1
437 1 31 ILE HA 1 33 GLY H . . 5.220 4.851 4.682 5.063 . 0 0 "[ . 1 . 2]" 1
438 1 31 ILE HA 1 36 VAL MG2 . . 5.340 4.650 4.473 4.815 . 0 0 "[ . 1 . 2]" 1
439 1 31 ILE HA 1 87 TYR QE . . 5.220 4.365 3.983 4.548 . 0 0 "[ . 1 . 2]" 1
440 1 31 ILE HA 1 113 VAL MG2 . . 3.460 2.393 2.146 2.683 . 0 0 "[ . 1 . 2]" 1
441 1 31 ILE HB 1 31 ILE MD . . 3.300 2.274 2.166 2.378 . 0 0 "[ . 1 . 2]" 1
442 1 31 ILE HB 1 32 GLU H . . 4.210 4.036 3.941 4.114 . 0 0 "[ . 1 . 2]" 1
443 1 31 ILE HB 1 44 PHE HB3 . . 4.690 2.533 2.272 2.770 . 0 0 "[ . 1 . 2]" 1
444 1 31 ILE HB 1 44 PHE QD . . 4.320 3.268 2.999 3.432 . 0 0 "[ . 1 . 2]" 1
445 1 31 ILE MD 1 31 ILE MG . . 3.590 3.232 3.195 3.251 . 0 0 "[ . 1 . 2]" 1
446 1 31 ILE MD 1 32 GLU H . . 4.950 4.802 4.683 4.929 . 0 0 "[ . 1 . 2]" 1
447 1 31 ILE MD 1 44 PHE QD . . 4.180 3.759 3.308 4.020 . 0 0 "[ . 1 . 2]" 1
448 1 31 ILE MD 1 44 PHE QE . . 4.420 3.839 3.453 4.300 . 0 0 "[ . 1 . 2]" 1
449 1 31 ILE MD 1 44 PHE HZ . . 5.080 4.445 4.054 5.072 . 0 0 "[ . 1 . 2]" 1
450 1 31 ILE MD 1 97 VAL H . . 4.880 4.814 4.539 4.891 0.011 1 0 "[ . 1 . 2]" 1
451 1 31 ILE MD 1 97 VAL HB . . 3.890 3.165 2.956 3.362 . 0 0 "[ . 1 . 2]" 1
452 1 31 ILE MD 1 97 VAL MG1 . . 3.340 3.005 2.695 3.340 . 0 0 "[ . 1 . 2]" 1
453 1 31 ILE MD 1 97 VAL MG2 . . 3.560 3.309 2.982 3.539 . 0 0 "[ . 1 . 2]" 1
454 1 31 ILE MD 1 99 VAL MG2 . . 3.920 3.409 2.964 3.716 . 0 0 "[ . 1 . 2]" 1
455 1 31 ILE MD 1 111 PHE H . . 4.740 4.569 4.287 4.744 0.004 20 0 "[ . 1 . 2]" 1
456 1 31 ILE MD 1 111 PHE HB2 . . 3.820 2.631 2.341 2.877 . 0 0 "[ . 1 . 2]" 1
457 1 31 ILE MD 1 111 PHE HB3 . . 3.820 2.225 1.966 2.674 . 0 0 "[ . 1 . 2]" 1
458 1 31 ILE MD 1 111 PHE QD . . 3.570 2.534 2.295 2.720 . 0 0 "[ . 1 . 2]" 1
459 1 31 ILE MD 1 111 PHE QE . . 4.330 3.226 2.982 3.449 . 0 0 "[ . 1 . 2]" 1
460 1 31 ILE MD 1 113 VAL MG2 . . 3.320 2.861 2.483 3.233 . 0 0 "[ . 1 . 2]" 1
461 1 31 ILE QG 1 111 PHE QD . . 4.160 3.156 2.694 3.415 . 0 0 "[ . 1 . 2]" 1
462 1 31 ILE QG 1 111 PHE QE . . 5.340 3.408 2.847 3.659 . 0 0 "[ . 1 . 2]" 1
463 1 31 ILE HG12 1 111 PHE QD . . 4.970 3.809 3.374 4.034 . 0 0 "[ . 1 . 2]" 1
464 1 31 ILE HG13 1 111 PHE QD . . 4.970 3.376 2.832 3.709 . 0 0 "[ . 1 . 2]" 1
465 1 31 ILE MG 1 32 GLU H . . 3.220 2.274 2.019 2.473 . 0 0 "[ . 1 . 2]" 1
466 1 31 ILE MG 1 32 GLU HA . . 4.260 3.279 3.153 3.391 . 0 0 "[ . 1 . 2]" 1
467 1 31 ILE MG 1 32 GLU HG2 . . 3.970 2.147 2.034 2.325 . 0 0 "[ . 1 . 2]" 1
468 1 31 ILE MG 1 32 GLU HG3 . . 3.760 3.451 3.358 3.621 . 0 0 "[ . 1 . 2]" 1
469 1 31 ILE MG 1 33 GLY H . . 4.500 4.414 4.286 4.512 0.012 14 0 "[ . 1 . 2]" 1
470 1 31 ILE MG 1 44 PHE HB2 . . 3.990 2.648 2.143 2.953 . 0 0 "[ . 1 . 2]" 1
471 1 31 ILE MG 1 44 PHE HB3 . . 4.120 2.812 2.371 3.103 . 0 0 "[ . 1 . 2]" 1
472 1 31 ILE MG 1 44 PHE QD . . 4.050 3.821 3.564 3.996 . 0 0 "[ . 1 . 2]" 1
473 1 31 ILE MG 1 45 THR H . . 4.270 3.956 3.565 4.192 . 0 0 "[ . 1 . 2]" 1
474 1 31 ILE MG 1 111 PHE QE . . 5.500 4.664 4.330 4.972 . 0 0 "[ . 1 . 2]" 1
475 1 32 GLU H 1 32 GLU HB2 . . 3.300 2.382 2.348 2.414 . 0 0 "[ . 1 . 2]" 1
476 1 32 GLU H 1 32 GLU HB3 . . 3.760 3.606 3.588 3.626 . 0 0 "[ . 1 . 2]" 1
477 1 32 GLU H 1 32 GLU HG2 . . 3.630 2.726 2.587 2.882 . 0 0 "[ . 1 . 2]" 1
478 1 32 GLU H 1 32 GLU HG3 . . 3.670 3.616 3.525 3.689 0.019 17 0 "[ . 1 . 2]" 1
479 1 32 GLU H 1 33 GLY H . . 3.180 2.423 2.301 2.526 . 0 0 "[ . 1 . 2]" 1
480 1 32 GLU H 1 33 GLY HA2 . . 4.800 4.579 4.489 4.672 . 0 0 "[ . 1 . 2]" 1
481 1 32 GLU H 1 33 GLY HA3 . . 5.500 4.968 4.896 5.046 . 0 0 "[ . 1 . 2]" 1
482 1 32 GLU H 1 36 VAL MG2 . . 4.450 4.032 3.916 4.214 . 0 0 "[ . 1 . 2]" 1
483 1 32 GLU H 1 44 PHE HB2 . . 5.500 5.407 5.253 5.508 0.008 12 0 "[ . 1 . 2]" 1
484 1 32 GLU H 1 44 PHE HB3 . . 4.610 4.416 4.243 4.564 . 0 0 "[ . 1 . 2]" 1
485 1 32 GLU HA 1 32 GLU HG2 . . 3.530 2.659 2.594 2.700 . 0 0 "[ . 1 . 2]" 1
486 1 32 GLU HA 1 32 GLU HG3 . . 3.760 3.739 3.715 3.754 . 0 0 "[ . 1 . 2]" 1
487 1 32 GLU HB2 1 33 GLY H . . 3.870 2.478 2.369 2.593 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLU HB2 1 34 LYS H . . 3.800 3.449 3.120 3.611 . 0 0 "[ . 1 . 2]" 1
489 1 32 GLU HB2 1 34 LYS QD . . 4.260 3.414 3.065 4.067 . 0 0 "[ . 1 . 2]" 1
490 1 32 GLU HB2 1 34 LYS QE . . 5.500 4.162 2.839 5.156 . 0 0 "[ . 1 . 2]" 1
491 1 32 GLU HB2 1 34 LYS HG2 . . 4.550 2.499 2.265 3.264 . 0 0 "[ . 1 . 2]" 1
492 1 32 GLU HB2 1 34 LYS QG . . 3.890 2.374 2.241 2.534 . 0 0 "[ . 1 . 2]" 1
493 1 32 GLU HB2 1 34 LYS HG3 . . 4.550 3.407 2.597 3.676 . 0 0 "[ . 1 . 2]" 1
494 1 32 GLU HB3 1 33 GLY H . . 4.080 3.400 3.212 3.555 . 0 0 "[ . 1 . 2]" 1
495 1 32 GLU HB3 1 34 LYS H . . 4.410 4.309 3.980 4.410 0.000 6 0 "[ . 1 . 2]" 1
496 1 32 GLU HB3 1 34 LYS QD . . 4.430 2.927 2.351 4.305 . 0 0 "[ . 1 . 2]" 1
497 1 32 GLU HB3 1 34 LYS HG2 . . 4.530 3.052 2.926 3.198 . 0 0 "[ . 1 . 2]" 1
498 1 32 GLU HB3 1 34 LYS HG3 . . 4.530 3.982 3.450 4.211 . 0 0 "[ . 1 . 2]" 1
499 1 32 GLU HG2 1 34 LYS QG . . 5.190 4.681 4.555 4.756 . 0 0 "[ . 1 . 2]" 1
500 1 33 GLY H 1 34 LYS HA . . 5.500 4.733 4.646 4.803 . 0 0 "[ . 1 . 2]" 1
501 1 33 GLY H 1 34 LYS QD . . 5.090 4.335 3.858 5.114 0.024 3 0 "[ . 1 . 2]" 1
502 1 33 GLY H 1 34 LYS QG . . 5.130 3.016 2.900 3.141 . 0 0 "[ . 1 . 2]" 1
503 1 33 GLY H 1 36 VAL HB . . 5.000 4.835 4.604 4.945 . 0 0 "[ . 1 . 2]" 1
504 1 33 GLY H 1 36 VAL MG2 . . 3.970 2.727 2.618 2.847 . 0 0 "[ . 1 . 2]" 1
505 1 33 GLY H 1 113 VAL HA . . 5.500 5.245 5.098 5.444 . 0 0 "[ . 1 . 2]" 1
506 1 33 GLY H 1 113 VAL MG1 . . 3.960 3.746 3.452 3.925 . 0 0 "[ . 1 . 2]" 1
507 1 33 GLY HA2 1 34 LYS H . . 3.380 2.778 2.710 2.930 . 0 0 "[ . 1 . 2]" 1
508 1 33 GLY HA2 1 36 VAL H . . 4.720 3.646 3.591 3.723 . 0 0 "[ . 1 . 2]" 1
509 1 33 GLY HA2 1 36 VAL HB . . 4.750 2.823 2.723 2.902 . 0 0 "[ . 1 . 2]" 1
510 1 33 GLY HA2 1 36 VAL MG2 . . 3.690 1.958 1.845 2.092 . 0 0 "[ . 1 . 2]" 1
511 1 33 GLY HA2 1 113 VAL MG1 . . 3.590 2.581 2.143 2.893 . 0 0 "[ . 1 . 2]" 1
512 1 33 GLY HA2 1 114 ALA H . . 4.700 4.622 4.254 4.707 0.007 15 0 "[ . 1 . 2]" 1
513 1 33 GLY HA3 1 36 VAL H . . 5.500 5.001 4.899 5.109 . 0 0 "[ . 1 . 2]" 1
514 1 33 GLY HA3 1 36 VAL HB . . 4.310 4.277 4.179 4.336 0.026 14 0 "[ . 1 . 2]" 1
515 1 33 GLY HA3 1 36 VAL MG2 . . 3.740 3.465 3.303 3.625 . 0 0 "[ . 1 . 2]" 1
516 1 33 GLY HA3 1 113 VAL MG1 . . 3.620 3.071 2.525 3.425 . 0 0 "[ . 1 . 2]" 1
517 1 33 GLY HA3 1 114 ALA H . . 4.000 3.565 3.131 3.717 . 0 0 "[ . 1 . 2]" 1
518 1 34 LYS H 1 34 LYS HB2 . . 3.240 2.706 2.632 2.818 . 0 0 "[ . 1 . 2]" 1
519 1 34 LYS H 1 34 LYS HB3 . . 3.780 3.675 3.640 3.710 . 0 0 "[ . 1 . 2]" 1
520 1 34 LYS H 1 34 LYS QD . . 4.430 3.549 3.073 4.312 . 0 0 "[ . 1 . 2]" 1
521 1 34 LYS H 1 34 LYS HG2 . . 3.950 2.247 1.984 2.847 . 0 0 "[ . 1 . 2]" 1
522 1 34 LYS H 1 34 LYS QG . . 3.420 2.175 1.973 2.370 . 0 0 "[ . 1 . 2]" 1
523 1 34 LYS H 1 34 LYS HG3 . . 3.950 3.473 2.427 3.739 . 0 0 "[ . 1 . 2]" 1
524 1 34 LYS H 1 35 ASP H . . 3.270 2.670 2.593 2.733 . 0 0 "[ . 1 . 2]" 1
525 1 34 LYS H 1 35 ASP HA . . 5.260 5.017 4.939 5.107 . 0 0 "[ . 1 . 2]" 1
526 1 34 LYS H 1 36 VAL H . . 3.850 3.363 3.159 3.690 . 0 0 "[ . 1 . 2]" 1
527 1 34 LYS H 1 36 VAL HB . . 5.270 4.453 4.194 4.730 . 0 0 "[ . 1 . 2]" 1
528 1 34 LYS H 1 36 VAL MG2 . . 3.420 2.491 2.373 2.699 . 0 0 "[ . 1 . 2]" 1
529 1 34 LYS HA 1 34 LYS QD . . 3.590 2.428 1.989 3.669 0.079 4 0 "[ . 1 . 2]" 1
530 1 34 LYS HA 1 34 LYS QE . . 4.860 3.653 2.174 4.562 . 0 0 "[ . 1 . 2]" 1
531 1 34 LYS HA 1 34 LYS HG2 . . 3.890 3.159 2.621 3.339 . 0 0 "[ . 1 . 2]" 1
532 1 34 LYS HA 1 34 LYS HG3 . . 3.890 3.842 3.643 3.932 0.042 6 0 "[ . 1 . 2]" 1
533 1 34 LYS HA 1 35 ASP HA . . 4.640 4.552 4.549 4.557 . 0 0 "[ . 1 . 2]" 1
534 1 34 LYS HA 1 36 VAL H . . 4.200 4.171 4.112 4.238 0.038 15 0 "[ . 1 . 2]" 1
535 1 34 LYS HA 1 36 VAL MG2 . . 5.500 4.510 4.278 4.810 . 0 0 "[ . 1 . 2]" 1
536 1 34 LYS HA 1 116 THR MG . . 4.780 4.564 4.173 4.808 0.028 9 0 "[ . 1 . 2]" 1
537 1 34 LYS HB2 1 35 ASP H . . 3.830 1.904 1.884 1.934 . 0 0 "[ . 1 . 2]" 1
538 1 34 LYS HB3 1 35 ASP H . . 3.670 3.271 3.179 3.390 . 0 0 "[ . 1 . 2]" 1
539 1 34 LYS HB3 1 35 ASP QB . . 4.990 4.694 3.999 4.992 0.002 19 0 "[ . 1 . 2]" 1
540 1 34 LYS QE 1 34 LYS QG . . 3.460 2.170 2.056 2.280 . 0 0 "[ . 1 . 2]" 1
541 1 34 LYS QG 1 35 ASP H . . 3.900 3.480 3.296 3.571 . 0 0 "[ . 1 . 2]" 1
542 1 35 ASP H 1 35 ASP QB . . 3.390 2.635 2.352 2.986 . 0 0 "[ . 1 . 2]" 1
543 1 35 ASP H 1 36 VAL H . . 3.330 2.782 2.637 2.954 . 0 0 "[ . 1 . 2]" 1
544 1 35 ASP H 1 36 VAL MG2 . . 4.220 3.129 2.960 3.287 . 0 0 "[ . 1 . 2]" 1
545 1 35 ASP H 1 37 PHE QE . . 5.500 5.022 4.887 5.186 . 0 0 "[ . 1 . 2]" 1
546 1 35 ASP H 1 37 PHE HZ . . 5.500 5.249 5.094 5.462 . 0 0 "[ . 1 . 2]" 1
547 1 35 ASP HA 1 36 VAL H . . 3.250 2.906 2.813 2.973 . 0 0 "[ . 1 . 2]" 1
548 1 35 ASP HA 1 37 PHE H . . 4.440 3.004 2.949 3.078 . 0 0 "[ . 1 . 2]" 1
549 1 35 ASP HA 1 37 PHE QE . . 3.860 2.798 2.329 3.037 . 0 0 "[ . 1 . 2]" 1
550 1 35 ASP HA 1 37 PHE HZ . . 4.220 3.050 2.739 3.346 . 0 0 "[ . 1 . 2]" 1
551 1 35 ASP HA 1 116 THR MG . . 5.350 4.981 4.650 5.279 . 0 0 "[ . 1 . 2]" 1
552 1 35 ASP QB 1 36 VAL H . . 4.120 3.857 3.774 4.039 . 0 0 "[ . 1 . 2]" 1
553 1 35 ASP QB 1 36 VAL MG2 . . 5.060 4.202 3.963 4.662 . 0 0 "[ . 1 . 2]" 1
554 1 35 ASP QB 1 37 PHE QD . . 5.150 3.974 3.484 4.725 . 0 0 "[ . 1 . 2]" 1
555 1 35 ASP QB 1 37 PHE QE . . 3.740 3.345 2.156 3.750 0.010 14 0 "[ . 1 . 2]" 1
556 1 35 ASP QB 1 37 PHE HZ . . 4.890 4.371 3.679 4.759 . 0 0 "[ . 1 . 2]" 1
557 1 36 VAL H 1 36 VAL HB . . 2.980 2.619 2.535 2.720 . 0 0 "[ . 1 . 2]" 1
558 1 36 VAL H 1 36 VAL MG1 . . 3.790 3.800 3.784 3.834 0.044 9 0 "[ . 1 . 2]" 1
559 1 36 VAL H 1 36 VAL MG2 . . 2.950 2.199 2.049 2.494 . 0 0 "[ . 1 . 2]" 1
560 1 36 VAL H 1 37 PHE H . . 4.090 2.689 2.564 2.885 . 0 0 "[ . 1 . 2]" 1
561 1 36 VAL H 1 37 PHE HA . . 5.170 4.685 4.558 4.771 . 0 0 "[ . 1 . 2]" 1
562 1 36 VAL H 1 37 PHE QD . . 4.730 4.248 3.945 4.461 . 0 0 "[ . 1 . 2]" 1
563 1 36 VAL H 1 37 PHE QE . . 4.610 4.399 4.107 4.616 0.006 4 0 "[ . 1 . 2]" 1
564 1 36 VAL H 1 115 VAL MG2 . . 4.790 4.610 4.235 4.802 0.012 17 0 "[ . 1 . 2]" 1
565 1 36 VAL H 1 116 THR H . . 5.470 5.041 4.809 5.220 . 0 0 "[ . 1 . 2]" 1
566 1 36 VAL H 1 116 THR MG . . 5.270 4.689 4.472 4.881 . 0 0 "[ . 1 . 2]" 1
567 1 36 VAL HA 1 36 VAL MG1 . . 3.290 2.224 2.135 2.284 . 0 0 "[ . 1 . 2]" 1
568 1 36 VAL HA 1 36 VAL MG2 . . 3.300 2.442 2.322 2.527 . 0 0 "[ . 1 . 2]" 1
569 1 36 VAL HA 1 37 PHE H . . 3.140 3.097 2.975 3.187 0.047 16 0 "[ . 1 . 2]" 1
570 1 36 VAL HA 1 37 PHE QD . . 5.500 5.189 4.766 5.317 . 0 0 "[ . 1 . 2]" 1
571 1 36 VAL HA 1 40 ALA MB . . 4.390 3.165 2.896 3.539 . 0 0 "[ . 1 . 2]" 1
572 1 36 VAL HA 1 42 THR MG . . 3.480 2.391 1.973 2.752 . 0 0 "[ . 1 . 2]" 1
573 1 36 VAL HB 1 37 PHE H . . 4.070 3.857 3.711 4.029 . 0 0 "[ . 1 . 2]" 1
574 1 36 VAL HB 1 89 PRO HG3 . . 4.710 4.274 3.986 4.525 . 0 0 "[ . 1 . 2]" 1
575 1 36 VAL HB 1 113 VAL MG1 . . 3.530 2.980 2.741 3.211 . 0 0 "[ . 1 . 2]" 1
576 1 36 VAL HB 1 115 VAL HA . . 4.010 3.195 2.920 3.409 . 0 0 "[ . 1 . 2]" 1
577 1 36 VAL HB 1 115 VAL MG1 . . 3.920 3.468 3.250 3.774 . 0 0 "[ . 1 . 2]" 1
578 1 36 VAL HB 1 115 VAL MG2 . . 3.740 2.425 1.982 2.682 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL HB 1 116 THR H . . 4.760 4.484 4.249 4.760 0.000 10 0 "[ . 1 . 2]" 1
580 1 36 VAL MG1 1 42 THR H . . 4.720 4.523 4.301 4.723 0.003 18 0 "[ . 1 . 2]" 1
581 1 36 VAL MG1 1 42 THR HB . . 4.350 3.364 2.954 3.727 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL MG1 1 42 THR MG . . 3.020 1.820 1.725 1.909 . 0 0 "[ . 1 . 2]" 1
583 1 36 VAL MG1 1 87 TYR QD . . 4.730 4.074 3.877 4.193 . 0 0 "[ . 1 . 2]" 1
584 1 36 VAL MG1 1 87 TYR QE . . 3.910 2.540 2.309 2.782 . 0 0 "[ . 1 . 2]" 1
585 1 36 VAL MG1 1 87 TYR HH . . 4.420 2.670 2.396 2.971 . 0 0 "[ . 1 . 2]" 1
586 1 36 VAL MG1 1 89 PRO HD2 . . 4.150 3.228 2.985 3.512 . 0 0 "[ . 1 . 2]" 1
587 1 36 VAL MG1 1 89 PRO HD3 . . 4.550 2.945 2.758 3.180 . 0 0 "[ . 1 . 2]" 1
588 1 36 VAL MG1 1 89 PRO HG2 . . 3.750 2.940 2.783 3.213 . 0 0 "[ . 1 . 2]" 1
589 1 36 VAL MG1 1 89 PRO HG3 . . 3.580 1.893 1.809 2.169 . 0 0 "[ . 1 . 2]" 1
590 1 36 VAL MG1 1 113 VAL MG1 . . 2.990 2.140 1.934 2.428 . 0 0 "[ . 1 . 2]" 1
591 1 36 VAL MG1 1 115 VAL HA . . 4.530 3.831 3.667 4.051 . 0 0 "[ . 1 . 2]" 1
592 1 36 VAL MG1 1 115 VAL MG2 . . 2.970 1.820 1.737 1.932 . 0 0 "[ . 1 . 2]" 1
593 1 36 VAL MG2 1 37 PHE H . . 4.320 4.164 4.082 4.215 . 0 0 "[ . 1 . 2]" 1
594 1 36 VAL MG2 1 42 THR HB . . 3.810 2.876 2.685 3.064 . 0 0 "[ . 1 . 2]" 1
595 1 36 VAL MG2 1 42 THR HG1 . . 4.200 3.034 2.815 3.263 . 0 0 "[ . 1 . 2]" 1
596 1 36 VAL MG2 1 42 THR MG . . 3.470 2.104 1.900 2.549 . 0 0 "[ . 1 . 2]" 1
597 1 36 VAL MG2 1 43 ASP H . . 4.910 4.761 4.541 4.936 0.026 18 0 "[ . 1 . 2]" 1
598 1 36 VAL MG2 1 87 TYR QE . . 4.400 3.983 3.767 4.245 . 0 0 "[ . 1 . 2]" 1
599 1 36 VAL MG2 1 87 TYR HH . . 4.220 3.090 2.579 3.374 . 0 0 "[ . 1 . 2]" 1
600 1 36 VAL MG2 1 115 VAL HA . . 5.500 4.522 4.252 4.781 . 0 0 "[ . 1 . 2]" 1
601 1 36 VAL MG2 1 115 VAL MG2 . . 3.830 3.586 3.358 3.812 . 0 0 "[ . 1 . 2]" 1
602 1 37 PHE H 1 37 PHE HB2 . . 3.250 2.894 2.776 2.981 . 0 0 "[ . 1 . 2]" 1
603 1 37 PHE H 1 37 PHE HB3 . . 3.700 3.545 3.522 3.563 . 0 0 "[ . 1 . 2]" 1
604 1 37 PHE H 1 37 PHE QD . . 3.780 2.782 2.587 2.877 . 0 0 "[ . 1 . 2]" 1
605 1 37 PHE H 1 37 PHE QE . . 5.180 3.906 3.782 4.037 . 0 0 "[ . 1 . 2]" 1
606 1 37 PHE H 1 38 ARG H . . 4.770 4.645 4.636 4.650 . 0 0 "[ . 1 . 2]" 1
607 1 37 PHE H 1 40 ALA MB . . 3.530 3.099 2.812 3.262 . 0 0 "[ . 1 . 2]" 1
608 1 37 PHE H 1 42 THR MG . . 5.410 5.037 4.727 5.280 . 0 0 "[ . 1 . 2]" 1
609 1 37 PHE H 1 115 VAL MG1 . . 3.870 3.691 3.481 3.877 0.007 18 0 "[ . 1 . 2]" 1
610 1 37 PHE H 1 116 THR H . . 4.850 4.530 4.077 4.838 . 0 0 "[ . 1 . 2]" 1
611 1 37 PHE HA 1 37 PHE QD . . 3.610 2.419 2.233 2.830 . 0 0 "[ . 1 . 2]" 1
612 1 37 PHE HA 1 38 ARG H . . 2.890 2.331 2.263 2.448 . 0 0 "[ . 1 . 2]" 1
613 1 37 PHE HA 1 115 VAL MG1 . . 3.990 1.986 1.840 2.314 . 0 0 "[ . 1 . 2]" 1
614 1 37 PHE HA 1 116 THR H . . 3.500 2.979 2.386 3.268 . 0 0 "[ . 1 . 2]" 1
615 1 37 PHE HA 1 118 GLY H . . 4.490 4.097 3.771 4.422 . 0 0 "[ . 1 . 2]" 1
616 1 37 PHE HB2 1 38 ARG H . . 3.880 3.506 3.253 3.690 . 0 0 "[ . 1 . 2]" 1
617 1 37 PHE HB2 1 40 ALA H . . 4.980 4.761 4.558 4.939 . 0 0 "[ . 1 . 2]" 1
618 1 37 PHE HB2 1 40 ALA MB . . 3.430 2.375 2.227 2.559 . 0 0 "[ . 1 . 2]" 1
619 1 37 PHE HB2 1 118 GLY H . . 4.300 3.884 3.244 4.252 . 0 0 "[ . 1 . 2]" 1
620 1 37 PHE HB3 1 38 ARG H . . 3.570 2.710 2.467 2.870 . 0 0 "[ . 1 . 2]" 1
621 1 37 PHE HB3 1 40 ALA MB . . 3.990 3.804 3.648 3.949 . 0 0 "[ . 1 . 2]" 1
622 1 37 PHE HB3 1 118 GLY H . . 3.950 2.335 1.900 2.613 . 0 0 "[ . 1 . 2]" 1
623 1 37 PHE QD 1 38 ARG H . . 4.190 4.211 4.133 4.300 0.110 15 0 "[ . 1 . 2]" 1
624 1 37 PHE QD 1 40 ALA MB . . 4.140 3.118 2.715 3.326 . 0 0 "[ . 1 . 2]" 1
625 1 37 PHE QD 1 115 VAL MG1 . . 4.960 3.359 2.845 4.269 . 0 0 "[ . 1 . 2]" 1
626 1 37 PHE QD 1 116 THR H . . 4.260 2.768 2.240 3.734 . 0 0 "[ . 1 . 2]" 1
627 1 37 PHE QD 1 116 THR HB . . 5.100 4.730 4.311 5.119 0.019 13 0 "[ . 1 . 2]" 1
628 1 37 PHE QD 1 116 THR MG . . 4.590 2.193 1.932 2.722 . 0 0 "[ . 1 . 2]" 1
629 1 37 PHE QD 1 118 GLY H . . 4.230 3.631 2.937 3.915 . 0 0 "[ . 1 . 2]" 1
630 1 37 PHE QD 1 118 GLY HA2 . . 4.570 4.087 3.311 4.583 0.013 9 0 "[ . 1 . 2]" 1
631 1 37 PHE QD 1 118 GLY HA3 . . 4.570 2.998 2.486 3.523 . 0 0 "[ . 1 . 2]" 1
632 1 37 PHE QE 1 118 GLY H . . 5.500 5.109 4.455 5.478 . 0 0 "[ . 1 . 2]" 1
633 1 37 PHE QE 1 119 CYS H . . 5.410 4.656 3.175 5.320 . 0 0 "[ . 1 . 2]" 1
634 1 38 ARG H 1 38 ARG HB2 . . 3.220 2.286 2.182 2.540 . 0 0 "[ . 1 . 2]" 1
635 1 38 ARG H 1 38 ARG HB3 . . 3.260 2.797 2.518 2.934 . 0 0 "[ . 1 . 2]" 1
636 1 38 ARG H 1 38 ARG HD2 . . 4.990 4.965 4.784 5.108 0.118 15 0 "[ . 1 . 2]" 1
637 1 38 ARG H 1 38 ARG QD . . 4.390 4.337 4.208 4.383 . 0 0 "[ . 1 . 2]" 1
638 1 38 ARG H 1 38 ARG HD3 . . 4.990 4.787 4.667 4.924 . 0 0 "[ . 1 . 2]" 1
639 1 38 ARG H 1 38 ARG HG2 . . 4.660 4.544 4.480 4.606 . 0 0 "[ . 1 . 2]" 1
640 1 38 ARG H 1 38 ARG QG . . 3.960 3.893 3.798 3.974 0.014 3 0 "[ . 1 . 2]" 1
641 1 38 ARG H 1 38 ARG HG3 . . 4.660 4.237 4.095 4.442 . 0 0 "[ . 1 . 2]" 1
642 1 38 ARG H 1 39 GLU H . . 4.690 4.603 4.590 4.614 . 0 0 "[ . 1 . 2]" 1
643 1 38 ARG H 1 39 GLU QB . . 5.500 5.264 5.140 5.412 . 0 0 "[ . 1 . 2]" 1
644 1 38 ARG H 1 40 ALA H . . 5.230 5.053 4.864 5.192 . 0 0 "[ . 1 . 2]" 1
645 1 38 ARG H 1 89 PRO HG2 . . 5.020 4.691 4.445 4.807 . 0 0 "[ . 1 . 2]" 1
646 1 38 ARG H 1 92 LYS HA . . 4.540 4.294 4.081 4.534 . 0 0 "[ . 1 . 2]" 1
647 1 38 ARG H 1 92 LYS QB . . 4.740 4.402 3.422 4.874 0.134 16 0 "[ . 1 . 2]" 1
648 1 38 ARG H 1 92 LYS QG . . 5.500 3.658 2.673 5.491 . 0 0 "[ . 1 . 2]" 1
649 1 38 ARG H 1 115 VAL HB . . 5.500 5.157 4.791 5.514 0.014 9 0 "[ . 1 . 2]" 1
650 1 38 ARG H 1 115 VAL MG1 . . 3.220 2.575 2.278 2.847 . 0 0 "[ . 1 . 2]" 1
651 1 38 ARG H 1 115 VAL MG2 . . 4.980 4.635 4.377 5.002 0.022 15 0 "[ . 1 . 2]" 1
652 1 38 ARG H 1 116 THR H . . 5.050 4.619 3.980 5.011 . 0 0 "[ . 1 . 2]" 1
653 1 38 ARG H 1 117 GLU HA . . 4.130 3.908 3.076 4.160 0.030 16 0 "[ . 1 . 2]" 1
654 1 38 ARG H 1 117 GLU QG . . 5.500 5.396 5.052 5.558 0.058 15 0 "[ . 1 . 2]" 1
655 1 38 ARG H 1 118 GLY H . . 4.150 3.861 3.295 4.174 0.024 9 0 "[ . 1 . 2]" 1
656 1 38 ARG HA 1 39 GLU H . . 3.060 2.195 2.179 2.217 . 0 0 "[ . 1 . 2]" 1
657 1 38 ARG HA 1 39 GLU HA . . 4.630 4.398 4.387 4.406 . 0 0 "[ . 1 . 2]" 1
658 1 38 ARG HA 1 40 ALA H . . 3.820 3.544 3.408 3.647 . 0 0 "[ . 1 . 2]" 1
659 1 38 ARG HA 1 89 PRO HB2 . . 3.730 3.573 3.536 3.622 . 0 0 "[ . 1 . 2]" 1
660 1 38 ARG HA 1 89 PRO HB3 . . 5.110 5.108 5.048 5.123 0.013 8 0 "[ . 1 . 2]" 1
661 1 38 ARG HA 1 89 PRO HG2 . . 4.130 2.815 2.688 2.898 . 0 0 "[ . 1 . 2]" 1
662 1 38 ARG HA 1 89 PRO HG3 . . 4.520 4.472 4.311 4.518 . 0 0 "[ . 1 . 2]" 1
663 1 38 ARG HA 1 91 GLU H . . 4.910 3.696 3.493 4.120 . 0 0 "[ . 1 . 2]" 1
664 1 38 ARG HA 1 115 VAL MG1 . . 3.900 3.155 2.787 3.494 . 0 0 "[ . 1 . 2]" 1
665 1 38 ARG HB2 1 38 ARG QD . . 3.720 2.419 2.289 2.542 . 0 0 "[ . 1 . 2]" 1
666 1 38 ARG HB2 1 39 GLU H . . 4.560 4.245 4.080 4.332 . 0 0 "[ . 1 . 2]" 1
667 1 38 ARG HB2 1 92 LYS H . . 5.020 3.802 3.609 4.086 . 0 0 "[ . 1 . 2]" 1
668 1 38 ARG HB2 1 92 LYS HA . . 4.300 3.372 3.037 3.709 . 0 0 "[ . 1 . 2]" 1
669 1 38 ARG HB2 1 115 VAL MG1 . . 3.630 3.147 2.900 3.493 . 0 0 "[ . 1 . 2]" 1
670 1 38 ARG HB3 1 38 ARG QD . . 3.670 2.344 2.190 2.520 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG HB3 1 39 GLU H . . 3.970 3.864 3.750 3.978 0.008 3 0 "[ . 1 . 2]" 1
672 1 38 ARG HB3 1 115 VAL MG1 . . 4.960 4.376 4.095 4.739 . 0 0 "[ . 1 . 2]" 1
673 1 38 ARG QD 1 91 GLU H . . 4.540 3.818 3.334 4.366 . 0 0 "[ . 1 . 2]" 1
674 1 38 ARG QD 1 91 GLU HA . . 4.130 2.349 1.990 2.750 . 0 0 "[ . 1 . 2]" 1
675 1 38 ARG QD 1 92 LYS H . . 3.450 2.220 1.887 2.439 . 0 0 "[ . 1 . 2]" 1
676 1 38 ARG QD 1 92 LYS QB . . 4.430 3.362 2.636 3.907 . 0 0 "[ . 1 . 2]" 1
677 1 38 ARG HD2 1 91 GLU HA . . 4.770 2.369 2.000 2.793 . 0 0 "[ . 1 . 2]" 1
678 1 38 ARG HD2 1 92 LYS H . . 3.960 2.235 1.893 2.465 . 0 0 "[ . 1 . 2]" 1
679 1 38 ARG HD3 1 91 GLU HA . . 4.770 3.959 3.567 4.154 . 0 0 "[ . 1 . 2]" 1
680 1 38 ARG HD3 1 92 LYS H . . 3.960 3.827 3.520 3.985 0.025 15 0 "[ . 1 . 2]" 1
681 1 38 ARG QG 1 39 GLU H . . 3.480 2.557 2.399 2.734 . 0 0 "[ . 1 . 2]" 1
682 1 38 ARG QG 1 39 GLU QG . . 3.670 2.279 1.975 2.614 . 0 0 "[ . 1 . 2]" 1
683 1 38 ARG QG 1 90 PHE QB . . 5.110 3.791 3.490 4.053 . 0 0 "[ . 1 . 2]" 1
684 1 38 ARG QG 1 91 GLU H . . 4.180 2.445 2.100 2.927 . 0 0 "[ . 1 . 2]" 1
685 1 38 ARG QG 1 92 LYS H . . 5.200 3.587 2.980 4.236 . 0 0 "[ . 1 . 2]" 1
686 1 38 ARG HG2 1 39 GLU H . . 3.990 2.737 2.519 3.045 . 0 0 "[ . 1 . 2]" 1
687 1 38 ARG HG2 1 39 GLU QG . . 4.260 2.298 1.987 2.653 . 0 0 "[ . 1 . 2]" 1
688 1 38 ARG HG2 1 91 GLU H . . 4.830 3.903 3.172 4.547 . 0 0 "[ . 1 . 2]" 1
689 1 38 ARG HG3 1 39 GLU H . . 3.990 3.157 2.543 3.632 . 0 0 "[ . 1 . 2]" 1
690 1 38 ARG HG3 1 39 GLU QG . . 4.260 3.803 2.994 4.198 . 0 0 "[ . 1 . 2]" 1
691 1 38 ARG HG3 1 91 GLU H . . 4.830 2.472 2.131 2.964 . 0 0 "[ . 1 . 2]" 1
692 1 39 GLU H 1 39 GLU QB . . 3.630 3.300 3.209 3.405 . 0 0 "[ . 1 . 2]" 1
693 1 39 GLU H 1 39 GLU QG . . 3.590 2.841 2.653 3.127 . 0 0 "[ . 1 . 2]" 1
694 1 39 GLU H 1 40 ALA H . . 3.180 2.646 2.560 2.705 . 0 0 "[ . 1 . 2]" 1
695 1 39 GLU H 1 88 THR MG . . 3.510 3.078 2.760 3.336 . 0 0 "[ . 1 . 2]" 1
696 1 39 GLU H 1 89 PRO HD2 . . 4.370 4.191 4.068 4.341 . 0 0 "[ . 1 . 2]" 1
697 1 39 GLU H 1 89 PRO HG2 . . 4.050 3.553 3.355 3.653 . 0 0 "[ . 1 . 2]" 1
698 1 39 GLU H 1 89 PRO HG3 . . 5.360 5.285 5.103 5.377 0.017 9 0 "[ . 1 . 2]" 1
699 1 39 GLU H 1 90 PHE HA . . 3.770 2.840 2.717 3.025 . 0 0 "[ . 1 . 2]" 1
700 1 39 GLU HA 1 39 GLU QG . . 3.470 2.542 2.287 2.935 . 0 0 "[ . 1 . 2]" 1
701 1 39 GLU HA 1 40 ALA H . . 3.220 2.877 2.815 2.983 . 0 0 "[ . 1 . 2]" 1
702 1 39 GLU HA 1 88 THR MG . . 3.480 2.276 2.157 2.463 . 0 0 "[ . 1 . 2]" 1
703 1 39 GLU QB 1 40 ALA H . . 3.940 3.806 3.741 3.844 . 0 0 "[ . 1 . 2]" 1
704 1 39 GLU QB 1 88 THR MG . . 4.740 3.755 3.628 3.920 . 0 0 "[ . 1 . 2]" 1
705 1 39 GLU QG 1 90 PHE HA . . 4.570 3.041 2.812 3.340 . 0 0 "[ . 1 . 2]" 1
706 1 40 ALA H 1 40 ALA MB . . 2.750 2.490 2.447 2.541 . 0 0 "[ . 1 . 2]" 1
707 1 40 ALA H 1 41 THR H . . 4.560 4.436 4.374 4.494 . 0 0 "[ . 1 . 2]" 1
708 1 40 ALA H 1 88 THR HA . . 4.370 3.869 3.711 4.028 . 0 0 "[ . 1 . 2]" 1
709 1 40 ALA H 1 88 THR MG . . 3.390 2.450 2.259 2.629 . 0 0 "[ . 1 . 2]" 1
710 1 40 ALA H 1 89 PRO HD2 . . 3.630 3.091 2.870 3.196 . 0 0 "[ . 1 . 2]" 1
711 1 40 ALA H 1 89 PRO HG2 . . 4.080 3.532 3.243 3.658 . 0 0 "[ . 1 . 2]" 1
712 1 40 ALA HA 1 41 THR H . . 2.730 2.216 2.158 2.270 . 0 0 "[ . 1 . 2]" 1
713 1 40 ALA HA 1 88 THR MG . . 4.770 3.318 3.164 3.493 . 0 0 "[ . 1 . 2]" 1
714 1 40 ALA MB 1 41 THR H . . 3.430 2.877 2.736 3.074 . 0 0 "[ . 1 . 2]" 1
715 1 41 THR H 1 41 THR HB . . 2.800 2.558 2.502 2.611 . 0 0 "[ . 1 . 2]" 1
716 1 41 THR H 1 41 THR MG . . 3.830 3.790 3.775 3.803 . 0 0 "[ . 1 . 2]" 1
717 1 41 THR H 1 42 THR H . . 4.430 4.245 4.203 4.309 . 0 0 "[ . 1 . 2]" 1
718 1 41 THR H 1 88 THR MG . . 3.690 3.617 3.415 3.708 0.018 1 0 "[ . 1 . 2]" 1
719 1 41 THR HA 1 41 THR MG . . 3.490 2.298 2.251 2.362 . 0 0 "[ . 1 . 2]" 1
720 1 41 THR HA 1 42 THR H . . 2.770 2.186 2.166 2.199 . 0 0 "[ . 1 . 2]" 1
721 1 41 THR HA 1 87 TYR H . . 4.870 4.665 4.581 4.783 . 0 0 "[ . 1 . 2]" 1
722 1 41 THR HA 1 88 THR HA . . 4.580 3.456 3.308 3.534 . 0 0 "[ . 1 . 2]" 1
723 1 41 THR HA 1 88 THR MG . . 4.010 3.025 2.824 3.173 . 0 0 "[ . 1 . 2]" 1
724 1 41 THR HB 1 42 THR H . . 4.490 4.402 4.348 4.434 . 0 0 "[ . 1 . 2]" 1
725 1 41 THR MG 1 42 THR H . . 3.110 3.073 2.961 3.123 0.013 9 0 "[ . 1 . 2]" 1
726 1 41 THR MG 1 86 GLU QB . . 4.700 3.763 3.655 3.883 . 0 0 "[ . 1 . 2]" 1
727 1 41 THR MG 1 86 GLU HG2 . . 3.490 2.632 2.443 2.903 . 0 0 "[ . 1 . 2]" 1
728 1 41 THR MG 1 86 GLU HG3 . . 3.460 2.290 2.161 2.515 . 0 0 "[ . 1 . 2]" 1
729 1 41 THR MG 1 87 TYR H . . 4.210 4.129 4.055 4.214 0.004 18 0 "[ . 1 . 2]" 1
730 1 42 THR H 1 42 THR HB . . 3.790 3.014 2.891 3.126 . 0 0 "[ . 1 . 2]" 1
731 1 42 THR H 1 42 THR HG1 . . 4.520 4.363 4.259 4.460 . 0 0 "[ . 1 . 2]" 1
732 1 42 THR H 1 42 THR MG . . 3.100 2.223 1.942 2.369 . 0 0 "[ . 1 . 2]" 1
733 1 42 THR H 1 43 ASP H . . 4.710 4.467 4.444 4.487 . 0 0 "[ . 1 . 2]" 1
734 1 42 THR H 1 86 GLU HA . . 5.160 4.854 4.700 4.988 . 0 0 "[ . 1 . 2]" 1
735 1 42 THR H 1 86 GLU HG2 . . 4.890 3.980 3.653 4.372 . 0 0 "[ . 1 . 2]" 1
736 1 42 THR H 1 86 GLU HG3 . . 4.990 3.949 3.706 4.120 . 0 0 "[ . 1 . 2]" 1
737 1 42 THR H 1 87 TYR H . . 3.530 3.424 3.267 3.524 . 0 0 "[ . 1 . 2]" 1
738 1 42 THR H 1 87 TYR QD . . 4.970 4.932 4.853 4.982 0.012 13 0 "[ . 1 . 2]" 1
739 1 42 THR H 1 88 THR HA . . 3.720 3.433 3.301 3.534 . 0 0 "[ . 1 . 2]" 1
740 1 42 THR H 1 89 PRO HD2 . . 4.030 3.975 3.792 4.052 0.022 15 0 "[ . 1 . 2]" 1
741 1 42 THR H 1 89 PRO HD3 . . 4.660 4.298 4.048 4.392 . 0 0 "[ . 1 . 2]" 1
742 1 42 THR HA 1 43 ASP H . . 2.990 2.247 2.220 2.274 . 0 0 "[ . 1 . 2]" 1
743 1 42 THR HA 1 87 TYR H . . 5.050 4.980 4.893 5.063 0.013 14 0 "[ . 1 . 2]" 1
744 1 42 THR HB 1 43 ASP H . . 4.180 4.044 3.933 4.151 . 0 0 "[ . 1 . 2]" 1
745 1 42 THR HG1 1 43 ASP H . . 3.260 2.089 1.893 2.418 . 0 0 "[ . 1 . 2]" 1
746 1 42 THR MG 1 43 ASP H . . 3.770 3.601 3.472 3.763 . 0 0 "[ . 1 . 2]" 1
747 1 42 THR MG 1 43 ASP HA . . 4.720 3.565 3.398 3.842 . 0 0 "[ . 1 . 2]" 1
748 1 42 THR MG 1 87 TYR H . . 3.680 3.148 2.953 3.329 . 0 0 "[ . 1 . 2]" 1
749 1 42 THR MG 1 87 TYR QD . . 3.960 3.362 3.184 3.526 . 0 0 "[ . 1 . 2]" 1
750 1 42 THR MG 1 87 TYR QE . . 3.610 2.885 2.755 3.006 . 0 0 "[ . 1 . 2]" 1
751 1 42 THR MG 1 87 TYR HH . . 3.850 3.150 2.766 3.507 . 0 0 "[ . 1 . 2]" 1
752 1 42 THR MG 1 89 PRO HD2 . . 4.390 3.068 2.749 3.324 . 0 0 "[ . 1 . 2]" 1
753 1 42 THR MG 1 89 PRO HD3 . . 4.360 2.801 2.569 3.043 . 0 0 "[ . 1 . 2]" 1
754 1 43 ASP H 1 43 ASP HB2 . . 4.020 3.943 3.912 3.968 . 0 0 "[ . 1 . 2]" 1
755 1 43 ASP H 1 43 ASP HB3 . . 3.980 3.328 3.200 3.432 . 0 0 "[ . 1 . 2]" 1
756 1 43 ASP H 1 44 PHE H . . 4.480 4.364 4.298 4.389 . 0 0 "[ . 1 . 2]" 1
757 1 43 ASP H 1 44 PHE HA . . 5.110 4.677 4.632 4.698 . 0 0 "[ . 1 . 2]" 1
758 1 43 ASP H 1 86 GLU HA . . 4.600 4.469 4.371 4.574 . 0 0 "[ . 1 . 2]" 1
759 1 43 ASP HA 1 44 PHE H . . 2.900 2.310 2.219 2.369 . 0 0 "[ . 1 . 2]" 1
760 1 43 ASP HA 1 44 PHE QD . . 5.290 3.270 2.941 3.919 . 0 0 "[ . 1 . 2]" 1
761 1 43 ASP HA 1 85 VAL H . . 5.110 4.757 4.597 4.881 . 0 0 "[ . 1 . 2]" 1
762 1 43 ASP HA 1 86 GLU H . . 4.990 4.794 4.683 4.928 . 0 0 "[ . 1 . 2]" 1
763 1 43 ASP HA 1 86 GLU HA . . 3.580 2.369 2.214 2.486 . 0 0 "[ . 1 . 2]" 1
764 1 43 ASP HA 1 86 GLU QB . . 4.620 4.021 3.896 4.221 . 0 0 "[ . 1 . 2]" 1
765 1 43 ASP HA 1 86 GLU HG3 . . 4.550 4.162 3.916 4.470 . 0 0 "[ . 1 . 2]" 1
766 1 43 ASP HA 1 87 TYR H . . 3.670 3.423 3.311 3.528 . 0 0 "[ . 1 . 2]" 1
767 1 43 ASP HB2 1 44 PHE H . . 3.210 2.691 2.557 2.956 . 0 0 "[ . 1 . 2]" 1
768 1 43 ASP HB2 1 84 GLN QE . . 3.930 2.529 2.063 3.480 . 0 0 "[ . 1 . 2]" 1
769 1 43 ASP HB2 1 84 GLN QG . . 4.060 2.584 2.341 2.735 . 0 0 "[ . 1 . 2]" 1
770 1 43 ASP HB2 1 85 VAL H . . 4.260 3.683 3.557 3.810 . 0 0 "[ . 1 . 2]" 1
771 1 43 ASP HB2 1 86 GLU H . . 5.260 3.997 3.662 4.245 . 0 0 "[ . 1 . 2]" 1
772 1 43 ASP HB2 1 86 GLU HA . . 4.280 2.691 2.451 2.979 . 0 0 "[ . 1 . 2]" 1
773 1 43 ASP HB2 1 86 GLU QB . . 4.660 2.812 2.559 3.052 . 0 0 "[ . 1 . 2]" 1
774 1 43 ASP HB2 1 86 GLU HG2 . . 5.160 4.981 4.721 5.136 . 0 0 "[ . 1 . 2]" 1
775 1 43 ASP HB2 1 86 GLU HG3 . . 4.700 3.936 3.699 4.146 . 0 0 "[ . 1 . 2]" 1
776 1 43 ASP HB2 1 87 TYR H . . 5.070 4.711 4.488 4.987 . 0 0 "[ . 1 . 2]" 1
777 1 43 ASP HB3 1 44 PHE H . . 4.250 3.939 3.839 4.077 . 0 0 "[ . 1 . 2]" 1
778 1 43 ASP HB3 1 84 GLN QG . . 4.130 3.867 3.657 4.056 . 0 0 "[ . 1 . 2]" 1
779 1 43 ASP HB3 1 85 VAL H . . 5.500 5.295 5.175 5.450 . 0 0 "[ . 1 . 2]" 1
780 1 43 ASP HB3 1 86 GLU H . . 4.680 4.198 4.082 4.353 . 0 0 "[ . 1 . 2]" 1
781 1 43 ASP HB3 1 86 GLU HA . . 4.120 2.027 1.991 2.129 . 0 0 "[ . 1 . 2]" 1
782 1 43 ASP HB3 1 86 GLU QB . . 4.380 2.103 1.990 2.359 . 0 0 "[ . 1 . 2]" 1
783 1 43 ASP HB3 1 86 GLU HG2 . . 4.300 3.509 3.210 3.743 . 0 0 "[ . 1 . 2]" 1
784 1 43 ASP HB3 1 86 GLU HG3 . . 4.250 2.254 2.000 2.519 . 0 0 "[ . 1 . 2]" 1
785 1 44 PHE H 1 44 PHE HB3 . . 3.250 3.134 2.970 3.206 . 0 0 "[ . 1 . 2]" 1
786 1 44 PHE H 1 44 PHE QD . . 3.820 2.512 2.044 2.978 . 0 0 "[ . 1 . 2]" 1
787 1 44 PHE H 1 45 THR H . . 4.500 4.461 4.444 4.495 . 0 0 "[ . 1 . 2]" 1
788 1 44 PHE H 1 84 GLN QG . . 4.410 4.026 3.503 4.290 . 0 0 "[ . 1 . 2]" 1
789 1 44 PHE H 1 85 VAL H . . 3.260 3.096 2.913 3.257 . 0 0 "[ . 1 . 2]" 1
790 1 44 PHE H 1 85 VAL HB . . 3.890 3.494 3.360 3.720 . 0 0 "[ . 1 . 2]" 1
791 1 44 PHE H 1 85 VAL MG1 . . 4.650 4.366 4.196 4.565 . 0 0 "[ . 1 . 2]" 1
792 1 44 PHE H 1 85 VAL MG2 . . 4.760 4.650 4.532 4.766 0.006 19 0 "[ . 1 . 2]" 1
793 1 44 PHE H 1 86 GLU HA . . 4.010 3.965 3.813 4.019 0.009 9 0 "[ . 1 . 2]" 1
794 1 44 PHE H 1 86 GLU QB . . 5.270 5.050 4.888 5.229 . 0 0 "[ . 1 . 2]" 1
795 1 44 PHE HA 1 45 THR H . . 3.090 2.522 2.496 2.534 . 0 0 "[ . 1 . 2]" 1
796 1 44 PHE HA 1 45 THR HA . . 5.160 4.452 4.433 4.467 . 0 0 "[ . 1 . 2]" 1
797 1 44 PHE HA 1 84 GLN HE21 . . 4.990 3.558 3.241 3.766 . 0 0 "[ . 1 . 2]" 1
798 1 44 PHE HA 1 84 GLN QE . . 4.330 3.138 2.913 3.578 . 0 0 "[ . 1 . 2]" 1
799 1 44 PHE HA 1 84 GLN HE22 . . 4.990 3.537 3.131 4.988 . 0 0 "[ . 1 . 2]" 1
800 1 44 PHE HB2 1 45 THR H . . 3.470 2.182 2.151 2.244 . 0 0 "[ . 1 . 2]" 1
801 1 44 PHE HB3 1 45 THR H . . 4.670 3.601 3.561 3.664 . 0 0 "[ . 1 . 2]" 1
802 1 44 PHE HB3 1 87 TYR QE . . 5.430 4.855 4.389 5.118 . 0 0 "[ . 1 . 2]" 1
803 1 44 PHE QD 1 45 THR H . . 3.730 3.130 2.955 3.324 . 0 0 "[ . 1 . 2]" 1
804 1 44 PHE QD 1 46 VAL MG2 . . 3.770 2.350 2.130 2.529 . 0 0 "[ . 1 . 2]" 1
805 1 44 PHE QD 1 85 VAL H . . 5.020 3.965 3.591 4.110 . 0 0 "[ . 1 . 2]" 1
806 1 44 PHE QD 1 85 VAL HB . . 4.730 3.540 3.439 3.619 . 0 0 "[ . 1 . 2]" 1
807 1 44 PHE QD 1 85 VAL MG1 . . 4.220 4.089 3.870 4.226 0.006 19 0 "[ . 1 . 2]" 1
808 1 44 PHE QD 1 87 TYR QE . . 3.590 2.925 2.512 3.186 . 0 0 "[ . 1 . 2]" 1
809 1 44 PHE QD 1 87 TYR HH . . 4.960 4.523 4.175 4.723 . 0 0 "[ . 1 . 2]" 1
810 1 44 PHE QE 1 46 VAL MG2 . . 3.610 2.088 1.879 2.431 . 0 0 "[ . 1 . 2]" 1
811 1 44 PHE QE 1 61 ALA MB . . 4.350 3.703 3.516 3.874 . 0 0 "[ . 1 . 2]" 1
812 1 44 PHE QE 1 63 ILE MD . . 5.190 4.437 4.167 4.708 . 0 0 "[ . 1 . 2]" 1
813 1 44 PHE QE 1 85 VAL H . . 5.090 4.068 3.793 4.310 . 0 0 "[ . 1 . 2]" 1
814 1 44 PHE QE 1 85 VAL HB . . 4.580 2.595 2.399 2.834 . 0 0 "[ . 1 . 2]" 1
815 1 44 PHE QE 1 85 VAL MG1 . . 3.790 2.566 2.324 2.798 . 0 0 "[ . 1 . 2]" 1
816 1 44 PHE QE 1 85 VAL MG2 . . 3.970 2.833 2.473 3.111 . 0 0 "[ . 1 . 2]" 1
817 1 44 PHE QE 1 87 TYR QD . . 4.170 3.070 2.626 3.633 . 0 0 "[ . 1 . 2]" 1
818 1 44 PHE QE 1 87 TYR QE . . 3.590 3.168 2.913 3.498 . 0 0 "[ . 1 . 2]" 1
819 1 44 PHE QE 1 87 TYR HH . . 5.480 5.147 4.829 5.445 . 0 0 "[ . 1 . 2]" 1
820 1 44 PHE QE 1 97 VAL MG1 . . 3.820 3.617 3.011 3.817 . 0 0 "[ . 1 . 2]" 1
821 1 44 PHE QE 1 99 VAL MG2 . . 3.820 3.680 3.382 3.831 0.011 17 0 "[ . 1 . 2]" 1
822 1 44 PHE HZ 1 46 VAL MG2 . . 4.550 3.990 3.751 4.294 . 0 0 "[ . 1 . 2]" 1
823 1 44 PHE HZ 1 61 ALA MB . . 4.030 2.885 2.709 3.073 . 0 0 "[ . 1 . 2]" 1
824 1 44 PHE HZ 1 85 VAL HB . . 5.190 2.599 2.544 2.694 . 0 0 "[ . 1 . 2]" 1
825 1 44 PHE HZ 1 85 VAL MG1 . . 3.870 2.878 2.700 3.195 . 0 0 "[ . 1 . 2]" 1
826 1 44 PHE HZ 1 85 VAL MG2 . . 4.330 2.577 2.293 2.818 . 0 0 "[ . 1 . 2]" 1
827 1 44 PHE HZ 1 97 VAL MG1 . . 3.780 3.685 3.306 3.799 0.019 7 0 "[ . 1 . 2]" 1
828 1 44 PHE HZ 1 99 VAL MG2 . . 3.880 3.596 3.370 3.873 . 0 0 "[ . 1 . 2]" 1
829 1 45 THR H 1 45 THR HB . . 3.110 2.756 2.648 2.817 . 0 0 "[ . 1 . 2]" 1
830 1 45 THR H 1 45 THR MG . . 4.110 3.907 3.859 3.931 . 0 0 "[ . 1 . 2]" 1
831 1 45 THR H 1 46 VAL H . . 4.460 4.351 4.316 4.429 . 0 0 "[ . 1 . 2]" 1
832 1 45 THR H 1 46 VAL MG2 . . 5.060 4.336 4.161 4.477 . 0 0 "[ . 1 . 2]" 1
833 1 45 THR H 1 84 GLN QE . . 4.430 3.862 3.601 4.229 . 0 0 "[ . 1 . 2]" 1
834 1 45 THR H 1 85 VAL H . . 5.340 5.272 5.139 5.334 . 0 0 "[ . 1 . 2]" 1
835 1 45 THR HA 1 45 THR MG . . 3.550 2.314 2.214 2.415 . 0 0 "[ . 1 . 2]" 1
836 1 45 THR HA 1 46 VAL H . . 2.920 2.166 2.153 2.206 . 0 0 "[ . 1 . 2]" 1
837 1 45 THR HA 1 83 TYR H . . 4.420 4.266 4.106 4.425 0.005 19 0 "[ . 1 . 2]" 1
838 1 45 THR HA 1 84 GLN HA . . 4.190 2.656 2.485 2.788 . 0 0 "[ . 1 . 2]" 1
839 1 45 THR HA 1 84 GLN HE21 . . 5.070 4.140 3.779 4.383 . 0 0 "[ . 1 . 2]" 1
840 1 45 THR HA 1 84 GLN HE22 . . 5.070 3.921 3.613 5.069 . 0 0 "[ . 1 . 2]" 1
841 1 45 THR HA 1 85 VAL H . . 4.050 3.888 3.693 4.013 . 0 0 "[ . 1 . 2]" 1
842 1 45 THR HB 1 46 VAL H . . 4.150 4.072 3.923 4.153 0.003 9 0 "[ . 1 . 2]" 1
843 1 45 THR HB 1 84 GLN QE . . 4.750 4.236 3.842 4.591 . 0 0 "[ . 1 . 2]" 1
844 1 45 THR MG 1 46 VAL H . . 3.200 2.413 2.165 2.612 . 0 0 "[ . 1 . 2]" 1
845 1 45 THR MG 1 78 ASN HD22 . . 5.040 3.919 3.455 4.187 . 0 0 "[ . 1 . 2]" 1
846 1 45 THR MG 1 82 THR HA . . 4.810 4.221 4.097 4.333 . 0 0 "[ . 1 . 2]" 1
847 1 45 THR MG 1 82 THR HB . . 3.620 2.290 2.161 2.429 . 0 0 "[ . 1 . 2]" 1
848 1 45 THR MG 1 82 THR MG . . 3.490 2.916 2.795 3.088 . 0 0 "[ . 1 . 2]" 1
849 1 45 THR MG 1 83 TYR H . . 3.520 3.210 2.972 3.397 . 0 0 "[ . 1 . 2]" 1
850 1 45 THR MG 1 84 GLN HA . . 4.180 3.858 3.560 4.068 . 0 0 "[ . 1 . 2]" 1
851 1 45 THR MG 1 84 GLN QE . . 4.490 3.939 3.575 4.179 . 0 0 "[ . 1 . 2]" 1
852 1 46 VAL H 1 46 VAL HB . . 3.590 2.554 2.482 2.634 . 0 0 "[ . 1 . 2]" 1
853 1 46 VAL H 1 46 VAL MG2 . . 3.610 2.650 2.488 2.834 . 0 0 "[ . 1 . 2]" 1
854 1 46 VAL H 1 47 ASP H . . 4.990 4.303 4.107 4.401 . 0 0 "[ . 1 . 2]" 1
855 1 46 VAL H 1 82 THR HA . . 4.820 4.615 4.416 4.799 . 0 0 "[ . 1 . 2]" 1
856 1 46 VAL H 1 82 THR HB . . 4.900 3.471 3.053 3.999 . 0 0 "[ . 1 . 2]" 1
857 1 46 VAL H 1 83 TYR H . . 3.700 2.550 2.404 2.732 . 0 0 "[ . 1 . 2]" 1
858 1 46 VAL H 1 83 TYR HA . . 4.790 4.500 4.409 4.582 . 0 0 "[ . 1 . 2]" 1
859 1 46 VAL H 1 83 TYR QB . . 4.140 3.204 2.968 3.426 . 0 0 "[ . 1 . 2]" 1
860 1 46 VAL H 1 83 TYR QD . . 4.810 4.103 3.846 4.423 . 0 0 "[ . 1 . 2]" 1
861 1 46 VAL H 1 84 GLN HA . . 4.050 3.767 3.558 3.943 . 0 0 "[ . 1 . 2]" 1
862 1 46 VAL H 1 85 VAL H . . 4.970 4.834 4.629 4.978 0.008 14 0 "[ . 1 . 2]" 1
863 1 46 VAL H 1 85 VAL MG2 . . 5.260 4.960 4.672 5.130 . 0 0 "[ . 1 . 2]" 1
864 1 46 VAL HA 1 47 ASP H . . 3.120 2.148 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
865 1 46 VAL HB 1 47 ASP H . . 4.850 4.317 4.211 4.427 . 0 0 "[ . 1 . 2]" 1
866 1 46 VAL HB 1 59 ILE MD . . 4.350 4.166 3.604 4.353 0.003 17 0 "[ . 1 . 2]" 1
867 1 46 VAL HB 1 59 ILE MG . . 4.710 4.191 3.979 4.441 . 0 0 "[ . 1 . 2]" 1
868 1 46 VAL HB 1 83 TYR H . . 4.050 2.708 2.318 2.923 . 0 0 "[ . 1 . 2]" 1
869 1 46 VAL HB 1 83 TYR HB2 . . 4.320 2.162 1.991 2.505 . 0 0 "[ . 1 . 2]" 1
870 1 46 VAL HB 1 83 TYR QB . . 3.710 2.152 1.983 2.488 . 0 0 "[ . 1 . 2]" 1
871 1 46 VAL HB 1 83 TYR HB3 . . 4.320 3.911 3.735 4.249 . 0 0 "[ . 1 . 2]" 1
872 1 46 VAL HB 1 83 TYR QD . . 4.710 2.207 2.004 2.724 . 0 0 "[ . 1 . 2]" 1
873 1 46 VAL MG1 1 47 ASP H . . 3.540 2.847 2.536 3.262 . 0 0 "[ . 1 . 2]" 1
874 1 46 VAL MG1 1 59 ILE MD . . 3.140 2.942 2.411 3.144 0.004 19 0 "[ . 1 . 2]" 1
875 1 46 VAL MG1 1 82 THR HA . . 5.160 4.310 4.000 4.550 . 0 0 "[ . 1 . 2]" 1
876 1 46 VAL MG2 1 59 ILE MG . . 3.580 3.264 2.889 3.582 0.002 15 0 "[ . 1 . 2]" 1
877 1 46 VAL MG2 1 85 VAL H . . 4.520 4.231 3.914 4.488 . 0 0 "[ . 1 . 2]" 1
878 1 46 VAL MG2 1 85 VAL MG2 . . 3.420 3.200 2.939 3.377 . 0 0 "[ . 1 . 2]" 1
879 1 47 ASP H 1 47 ASP HB2 . . 3.780 2.436 2.184 3.060 . 0 0 "[ . 1 . 2]" 1
880 1 47 ASP H 1 47 ASP QB . . 3.290 2.285 2.163 2.417 . 0 0 "[ . 1 . 2]" 1
881 1 47 ASP H 1 47 ASP HB3 . . 3.780 2.888 2.326 3.500 . 0 0 "[ . 1 . 2]" 1
882 1 47 ASP H 1 48 SER H . . 4.780 4.453 4.357 4.531 . 0 0 "[ . 1 . 2]" 1
883 1 47 ASP H 1 82 THR MG . . 5.170 4.098 3.946 4.325 . 0 0 "[ . 1 . 2]" 1
884 1 47 ASP HA 1 48 SER H . . 2.970 2.144 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
885 1 47 ASP HA 1 82 THR HA . . 4.380 3.159 2.762 3.432 . 0 0 "[ . 1 . 2]" 1
886 1 47 ASP HA 1 82 THR MG . . 3.690 1.930 1.830 1.979 . 0 0 "[ . 1 . 2]" 1
887 1 47 ASP HA 1 83 TYR H . . 4.480 4.251 3.983 4.475 . 0 0 "[ . 1 . 2]" 1
888 1 47 ASP QB 1 48 SER H . . 3.860 3.683 3.278 3.816 . 0 0 "[ . 1 . 2]" 1
889 1 47 ASP HB2 1 48 SER H . . 4.630 4.428 4.170 4.501 . 0 0 "[ . 1 . 2]" 1
890 1 47 ASP HB2 1 82 THR MG . . 4.160 3.381 2.618 4.184 0.024 12 0 "[ . 1 . 2]" 1
891 1 47 ASP HB3 1 48 SER H . . 4.630 3.953 3.382 4.422 . 0 0 "[ . 1 . 2]" 1
892 1 47 ASP HB3 1 82 THR MG . . 4.160 4.073 3.624 4.194 0.034 7 0 "[ . 1 . 2]" 1
893 1 48 SER H 1 48 SER HB2 . . 4.110 3.338 2.769 3.841 . 0 0 "[ . 1 . 2]" 1
894 1 48 SER H 1 48 SER QB . . 3.590 2.938 2.504 3.191 . 0 0 "[ . 1 . 2]" 1
895 1 48 SER H 1 48 SER HB3 . . 4.110 3.541 2.562 3.883 . 0 0 "[ . 1 . 2]" 1
896 1 48 SER H 1 48 SER HG . . 3.820 2.780 1.898 3.832 0.012 5 0 "[ . 1 . 2]" 1
897 1 48 SER H 1 49 ARG H . . 4.340 4.321 4.276 4.405 0.065 6 0 "[ . 1 . 2]" 1
898 1 48 SER H 1 81 GLY HA2 . . 5.500 5.185 4.662 5.458 . 0 0 "[ . 1 . 2]" 1
899 1 48 SER H 1 81 GLY HA3 . . 5.220 4.774 4.430 4.985 . 0 0 "[ . 1 . 2]" 1
900 1 48 SER H 1 82 THR HA . . 3.620 3.177 2.778 3.393 . 0 0 "[ . 1 . 2]" 1
901 1 48 SER H 1 82 THR HB . . 4.720 4.637 4.064 4.754 0.034 14 0 "[ . 1 . 2]" 1
902 1 48 SER H 1 82 THR MG . . 3.660 2.706 1.880 3.138 . 0 0 "[ . 1 . 2]" 1
903 1 48 SER H 1 83 TYR H . . 5.500 5.027 4.620 5.282 . 0 0 "[ . 1 . 2]" 1
904 1 48 SER H 1 83 TYR QD . . 5.090 4.876 4.610 5.061 . 0 0 "[ . 1 . 2]" 1
905 1 48 SER HA 1 51 LEU H . . 4.670 4.408 4.241 4.567 . 0 0 "[ . 1 . 2]" 1
906 1 48 SER HA 1 52 THR H . . 5.260 4.739 4.547 4.945 . 0 0 "[ . 1 . 2]" 1
907 1 48 SER QB 1 49 ARG H . . 4.170 3.113 2.845 3.633 . 0 0 "[ . 1 . 2]" 1
908 1 48 SER QB 1 51 LEU H . . 4.970 3.349 3.064 4.465 . 0 0 "[ . 1 . 2]" 1
909 1 48 SER QB 1 51 LEU HG . . 3.970 2.829 1.978 3.771 . 0 0 "[ . 1 . 2]" 1
910 1 48 SER QB 1 52 THR H . . 4.690 2.844 2.558 3.838 . 0 0 "[ . 1 . 2]" 1
911 1 48 SER QB 1 52 THR MG . . 4.520 2.235 1.894 2.872 . 0 0 "[ . 1 . 2]" 1
912 1 48 SER QB 1 101 TYR QD . . 4.690 4.404 3.705 4.699 0.009 8 0 "[ . 1 . 2]" 1
913 1 48 SER HB2 1 49 ARG H . . 4.900 3.594 2.989 4.137 . 0 0 "[ . 1 . 2]" 1
914 1 48 SER HB2 1 51 LEU QB . . 4.190 2.481 1.956 3.485 . 0 0 "[ . 1 . 2]" 1
915 1 48 SER HB2 1 101 TYR QE . . 4.260 3.761 3.215 4.065 . 0 0 "[ . 1 . 2]" 1
916 1 48 SER HB3 1 49 ARG H . . 4.900 3.687 2.965 4.368 . 0 0 "[ . 1 . 2]" 1
917 1 48 SER HB3 1 51 LEU QB . . 4.190 2.718 1.917 3.980 . 0 0 "[ . 1 . 2]" 1
918 1 48 SER HB3 1 101 TYR QE . . 4.260 3.668 2.615 4.178 . 0 0 "[ . 1 . 2]" 1
919 1 48 SER HG 1 83 TYR QD . . 5.210 3.461 2.699 5.213 0.003 5 0 "[ . 1 . 2]" 1
920 1 49 ARG H 1 49 ARG HB2 . . 3.780 2.432 2.190 3.182 . 0 0 "[ . 1 . 2]" 1
921 1 49 ARG H 1 49 ARG QB . . 3.040 2.347 2.167 2.531 . 0 0 "[ . 1 . 2]" 1
922 1 49 ARG H 1 49 ARG HB3 . . 3.780 3.451 2.238 3.599 . 0 0 "[ . 1 . 2]" 1
923 1 49 ARG H 1 49 ARG HD2 . . 5.090 4.590 3.587 5.175 0.085 18 0 "[ . 1 . 2]" 1
924 1 49 ARG H 1 49 ARG QD . . 4.430 4.013 2.960 4.355 . 0 0 "[ . 1 . 2]" 1
925 1 49 ARG H 1 49 ARG HD3 . . 5.090 4.647 2.992 5.281 0.191 17 0 "[ . 1 . 2]" 1
926 1 49 ARG H 1 49 ARG QG . . 3.980 3.597 3.286 4.061 0.081 6 0 "[ . 1 . 2]" 1
927 1 49 ARG H 1 50 PRO HD2 . . 3.780 1.772 1.716 1.838 . 0 0 "[ . 1 . 2]" 1
928 1 49 ARG H 1 50 PRO QD . . 3.310 1.763 1.706 1.826 . 0 0 "[ . 1 . 2]" 1
929 1 49 ARG H 1 50 PRO HD3 . . 3.780 3.174 3.013 3.254 . 0 0 "[ . 1 . 2]" 1
930 1 49 ARG H 1 50 PRO QG . . 4.540 3.581 3.508 3.728 . 0 0 "[ . 1 . 2]" 1
931 1 49 ARG H 1 51 LEU H . . 3.960 3.052 2.705 3.507 . 0 0 "[ . 1 . 2]" 1
932 1 49 ARG H 1 52 THR H . . 4.560 4.045 3.606 4.548 . 0 0 "[ . 1 . 2]" 1
933 1 49 ARG HA 1 51 LEU H . . 4.270 3.749 3.654 3.835 . 0 0 "[ . 1 . 2]" 1
934 1 49 ARG HA 1 52 THR H . . 4.010 3.869 3.711 4.003 . 0 0 "[ . 1 . 2]" 1
935 1 49 ARG QB 1 50 PRO QG . . 4.040 3.413 3.387 3.631 . 0 0 "[ . 1 . 2]" 1
936 1 49 ARG QB 1 52 THR H . . 5.340 5.068 4.891 5.355 0.015 8 0 "[ . 1 . 2]" 1
937 1 50 PRO HA 1 53 GLN HE21 . . 5.370 4.073 3.638 5.205 . 0 0 "[ . 1 . 2]" 1
938 1 50 PRO HA 1 53 GLN HE22 . . 5.370 4.349 3.802 4.939 . 0 0 "[ . 1 . 2]" 1
939 1 50 PRO QB 1 51 LEU H . . 4.030 3.772 3.710 3.862 . 0 0 "[ . 1 . 2]" 1
940 1 50 PRO QD 1 51 LEU H . . 3.650 3.041 2.933 3.227 . 0 0 "[ . 1 . 2]" 1
941 1 50 PRO QD 1 52 THR H . . 5.100 4.627 4.474 4.795 . 0 0 "[ . 1 . 2]" 1
942 1 50 PRO HD2 1 51 LEU H . . 4.320 3.135 3.012 3.350 . 0 0 "[ . 1 . 2]" 1
943 1 50 PRO HD3 1 51 LEU H . . 4.320 4.101 4.035 4.216 . 0 0 "[ . 1 . 2]" 1
944 1 50 PRO QG 1 51 LEU H . . 4.240 3.399 3.250 3.633 . 0 0 "[ . 1 . 2]" 1
945 1 50 PRO QG 1 51 LEU MD1 . . 5.070 3.896 3.780 4.018 . 0 0 "[ . 1 . 2]" 1
946 1 50 PRO QG 1 51 LEU MD2 . . 4.520 2.336 2.049 2.661 . 0 0 "[ . 1 . 2]" 1
947 1 50 PRO HG2 1 51 LEU H . . 5.090 3.485 3.323 3.742 . 0 0 "[ . 1 . 2]" 1
948 1 50 PRO HG3 1 51 LEU H . . 5.090 4.723 4.600 4.921 . 0 0 "[ . 1 . 2]" 1
949 1 51 LEU H 1 51 LEU QB . . 3.120 2.688 2.594 2.768 . 0 0 "[ . 1 . 2]" 1
950 1 51 LEU H 1 51 LEU MD1 . . 4.250 3.984 3.892 4.086 . 0 0 "[ . 1 . 2]" 1
951 1 51 LEU H 1 51 LEU MD2 . . 4.110 3.064 2.812 3.345 . 0 0 "[ . 1 . 2]" 1
952 1 51 LEU H 1 51 LEU HG . . 3.630 2.524 2.343 2.705 . 0 0 "[ . 1 . 2]" 1
953 1 51 LEU H 1 52 THR HA . . 4.960 4.628 4.453 4.723 . 0 0 "[ . 1 . 2]" 1
954 1 51 LEU H 1 53 GLN QE . . 4.950 3.769 3.336 4.058 . 0 0 "[ . 1 . 2]" 1
955 1 51 LEU HA 1 51 LEU MD1 . . 3.870 3.843 3.758 3.885 0.015 7 0 "[ . 1 . 2]" 1
956 1 51 LEU HA 1 51 LEU MD2 . . 3.290 2.020 1.948 2.155 . 0 0 "[ . 1 . 2]" 1
957 1 51 LEU HA 1 51 LEU HG . . 4.070 3.477 3.372 3.549 . 0 0 "[ . 1 . 2]" 1
958 1 51 LEU HA 1 52 THR H . . 3.540 3.544 3.504 3.566 0.026 8 0 "[ . 1 . 2]" 1
959 1 51 LEU QB 1 52 THR H . . 3.120 2.458 2.239 2.733 . 0 0 "[ . 1 . 2]" 1
960 1 51 LEU QB 1 101 TYR QE . . 3.960 2.746 2.313 3.007 . 0 0 "[ . 1 . 2]" 1
961 1 51 LEU MD1 1 52 THR H . . 4.830 4.424 4.249 4.673 . 0 0 "[ . 1 . 2]" 1
962 1 51 LEU MD1 1 101 TYR HB2 . . 4.740 3.822 3.579 4.155 . 0 0 "[ . 1 . 2]" 1
963 1 51 LEU MD1 1 101 TYR HB3 . . 4.740 3.561 3.126 3.890 . 0 0 "[ . 1 . 2]" 1
964 1 51 LEU MD1 1 101 TYR QD . . 4.440 2.983 2.700 3.350 . 0 0 "[ . 1 . 2]" 1
965 1 51 LEU MD1 1 101 TYR QE . . 4.370 2.985 2.398 3.372 . 0 0 "[ . 1 . 2]" 1
966 1 51 LEU MD2 1 52 THR H . . 4.450 4.326 4.230 4.444 . 0 0 "[ . 1 . 2]" 1
967 1 51 LEU HG 1 52 THR H . . 4.270 3.831 3.634 4.031 . 0 0 "[ . 1 . 2]" 1
968 1 52 THR H 1 52 THR HB . . 3.740 3.230 3.073 3.532 . 0 0 "[ . 1 . 2]" 1
969 1 52 THR H 1 52 THR MG . . 3.370 2.428 2.174 2.717 . 0 0 "[ . 1 . 2]" 1
970 1 52 THR H 1 53 GLN H . . 4.540 4.373 4.180 4.458 . 0 0 "[ . 1 . 2]" 1
971 1 52 THR H 1 53 GLN HE21 . . 5.030 3.504 3.045 5.046 0.016 8 0 "[ . 1 . 2]" 1
972 1 52 THR H 1 53 GLN QE . . 4.300 3.324 2.951 3.801 . 0 0 "[ . 1 . 2]" 1
973 1 52 THR H 1 53 GLN HE22 . . 5.030 4.384 3.683 4.989 . 0 0 "[ . 1 . 2]" 1
974 1 52 THR H 1 53 GLN QG . . 4.750 4.480 4.144 4.771 0.021 8 0 "[ . 1 . 2]" 1
975 1 52 THR H 1 81 GLY HA2 . . 5.500 5.399 5.015 5.534 0.034 14 0 "[ . 1 . 2]" 1
976 1 52 THR HA 1 53 GLN H . . 2.860 2.350 2.211 2.480 . 0 0 "[ . 1 . 2]" 1
977 1 52 THR HB 1 53 GLN H . . 4.170 3.940 3.757 4.181 0.011 14 0 "[ . 1 . 2]" 1
978 1 52 THR HB 1 54 VAL H . . 5.400 5.149 4.405 5.370 . 0 0 "[ . 1 . 2]" 1
979 1 52 THR HB 1 55 GLY H . . 4.980 4.757 4.384 4.985 0.005 2 0 "[ . 1 . 2]" 1
980 1 52 THR MG 1 53 GLN H . . 4.220 3.301 3.012 3.742 . 0 0 "[ . 1 . 2]" 1
981 1 52 THR MG 1 54 VAL H . . 4.080 3.929 3.306 4.084 0.004 13 0 "[ . 1 . 2]" 1
982 1 52 THR MG 1 55 GLY H . . 3.710 2.694 2.407 3.020 . 0 0 "[ . 1 . 2]" 1
983 1 52 THR MG 1 55 GLY QA . . 4.590 2.910 2.400 3.393 . 0 0 "[ . 1 . 2]" 1
984 1 52 THR MG 1 56 GLY H . . 4.800 4.135 3.085 4.806 0.006 2 0 "[ . 1 . 2]" 1
985 1 52 THR MG 1 81 GLY H . . 4.160 3.994 3.635 4.153 . 0 0 "[ . 1 . 2]" 1
986 1 52 THR MG 1 81 GLY HA2 . . 4.160 2.080 1.946 2.423 . 0 0 "[ . 1 . 2]" 1
987 1 52 THR MG 1 82 THR H . . 4.800 4.256 3.902 4.495 . 0 0 "[ . 1 . 2]" 1
988 1 52 THR MG 1 101 TYR QE . . 3.890 3.567 3.171 3.852 . 0 0 "[ . 1 . 2]" 1
989 1 53 GLN H 1 53 GLN HB2 . . 3.980 2.679 2.482 2.789 . 0 0 "[ . 1 . 2]" 1
990 1 53 GLN H 1 53 GLN QB . . 3.440 2.627 2.445 2.728 . 0 0 "[ . 1 . 2]" 1
991 1 53 GLN H 1 53 GLN HB3 . . 3.980 3.793 3.683 3.856 . 0 0 "[ . 1 . 2]" 1
992 1 53 GLN H 1 53 GLN QE . . 4.580 3.633 3.051 4.201 . 0 0 "[ . 1 . 2]" 1
993 1 53 GLN H 1 53 GLN QG . . 4.060 3.224 2.801 3.848 . 0 0 "[ . 1 . 2]" 1
994 1 53 GLN H 1 54 VAL H . . 3.100 1.907 1.797 2.186 . 0 0 "[ . 1 . 2]" 1
995 1 53 GLN H 1 54 VAL MG2 . . 3.770 3.566 3.182 3.753 . 0 0 "[ . 1 . 2]" 1
996 1 53 GLN H 1 55 GLY H . . 4.120 3.500 3.213 3.781 . 0 0 "[ . 1 . 2]" 1
997 1 53 GLN H 1 81 GLY HA3 . . 5.500 5.272 4.082 5.506 0.006 7 0 "[ . 1 . 2]" 1
998 1 53 GLN HA 1 53 GLN HE21 . . 5.170 3.520 2.823 4.636 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLN HA 1 53 GLN QE . . 4.340 3.372 2.712 4.231 . 0 0 "[ . 1 . 2]" 1
1000 1 53 GLN HA 1 53 GLN HE22 . . 5.170 4.377 3.511 5.149 . 0 0 "[ . 1 . 2]" 1
1001 1 53 GLN HA 1 53 GLN QG . . 3.570 2.621 2.307 2.931 . 0 0 "[ . 1 . 2]" 1
1002 1 53 GLN QB 1 53 GLN QE . . 4.020 3.456 2.592 3.605 . 0 0 "[ . 1 . 2]" 1
1003 1 53 GLN QB 1 54 VAL H . . 3.740 2.713 2.536 3.604 . 0 0 "[ . 1 . 2]" 1
1004 1 53 GLN QB 1 54 VAL MG1 . . 3.260 2.715 2.628 3.203 . 0 0 "[ . 1 . 2]" 1
1005 1 53 GLN HB2 1 54 VAL H . . 4.360 2.783 2.582 3.867 . 0 0 "[ . 1 . 2]" 1
1006 1 53 GLN HB2 1 54 VAL MG1 . . 3.970 2.947 2.783 3.435 . 0 0 "[ . 1 . 2]" 1
1007 1 53 GLN HB3 1 54 VAL H . . 4.360 3.810 3.578 4.303 . 0 0 "[ . 1 . 2]" 1
1008 1 53 GLN HB3 1 54 VAL MG1 . . 3.970 3.210 2.944 3.829 . 0 0 "[ . 1 . 2]" 1
1009 1 54 VAL H 1 54 VAL HB . . 4.000 3.797 3.729 3.856 . 0 0 "[ . 1 . 2]" 1
1010 1 54 VAL H 1 54 VAL MG1 . . 3.380 2.796 2.642 2.951 . 0 0 "[ . 1 . 2]" 1
1011 1 54 VAL H 1 54 VAL MG2 . . 3.020 2.238 2.095 2.344 . 0 0 "[ . 1 . 2]" 1
1012 1 54 VAL H 1 55 GLY H . . 3.080 2.698 1.816 2.904 . 0 0 "[ . 1 . 2]" 1
1013 1 54 VAL H 1 55 GLY QA . . 4.560 4.320 3.935 4.485 . 0 0 "[ . 1 . 2]" 1
1014 1 54 VAL H 1 81 GLY HA2 . . 4.760 4.095 2.776 4.436 . 0 0 "[ . 1 . 2]" 1
1015 1 54 VAL H 1 81 GLY HA3 . . 5.500 5.171 3.144 5.503 0.003 5 0 "[ . 1 . 2]" 1
1016 1 54 VAL HA 1 54 VAL MG1 . . 3.070 2.397 2.358 2.431 . 0 0 "[ . 1 . 2]" 1
1017 1 54 VAL HA 1 54 VAL MG2 . . 3.700 3.185 3.183 3.187 . 0 0 "[ . 1 . 2]" 1
1018 1 54 VAL HA 1 81 GLY H . . 4.980 4.103 3.411 4.744 . 0 0 "[ . 1 . 2]" 1
1019 1 54 VAL HB 1 55 GLY H . . 4.590 4.446 4.019 4.478 . 0 0 "[ . 1 . 2]" 1
1020 1 54 VAL MG1 1 55 GLY H . . 4.290 4.289 4.100 4.307 0.017 11 0 "[ . 1 . 2]" 1
1021 1 54 VAL MG2 1 55 GLY H . . 3.610 3.508 2.217 3.614 0.004 13 0 "[ . 1 . 2]" 1
1022 1 55 GLY H 1 56 GLY H . . 4.440 4.334 4.019 4.459 0.019 10 0 "[ . 1 . 2]" 1
1023 1 55 GLY H 1 81 GLY H . . 4.330 3.062 2.047 3.476 . 0 0 "[ . 1 . 2]" 1
1024 1 55 GLY H 1 81 GLY HA2 . . 4.500 2.114 1.888 2.830 . 0 0 "[ . 1 . 2]" 1
1025 1 55 GLY H 1 81 GLY HA3 . . 4.540 3.603 3.055 4.293 . 0 0 "[ . 1 . 2]" 1
1026 1 55 GLY QA 1 56 GLY H . . 3.000 2.236 2.138 2.289 . 0 0 "[ . 1 . 2]" 1
1027 1 55 GLY QA 1 79 ALA H . . 3.820 3.108 2.795 3.413 . 0 0 "[ . 1 . 2]" 1
1028 1 55 GLY QA 1 81 GLY H . . 4.030 2.829 1.899 3.316 . 0 0 "[ . 1 . 2]" 1
1029 1 55 GLY HA2 1 56 GLY H . . 3.480 2.590 2.270 3.519 0.039 2 0 "[ . 1 . 2]" 1
1030 1 55 GLY HA2 1 79 ALA H . . 4.430 4.172 3.745 4.421 . 0 0 "[ . 1 . 2]" 1
1031 1 55 GLY HA2 1 81 GLY H . . 4.630 3.020 1.933 3.529 . 0 0 "[ . 1 . 2]" 1
1032 1 55 GLY HA3 1 56 GLY H . . 3.480 2.682 2.163 2.920 . 0 0 "[ . 1 . 2]" 1
1033 1 55 GLY HA3 1 79 ALA H . . 4.430 3.235 2.849 3.771 . 0 0 "[ . 1 . 2]" 1
1034 1 55 GLY HA3 1 81 GLY H . . 4.630 3.478 2.423 4.251 . 0 0 "[ . 1 . 2]" 1
1035 1 56 GLY H 1 77 ASP QB . . 4.930 3.084 2.313 4.024 . 0 0 "[ . 1 . 2]" 1
1036 1 56 GLY H 1 79 ALA H . . 5.020 4.633 3.765 5.009 . 0 0 "[ . 1 . 2]" 1
1037 1 56 GLY H 1 79 ALA HA . . 4.810 4.271 3.130 4.802 . 0 0 "[ . 1 . 2]" 1
1038 1 57 ASP HA 1 58 HIS H . . 3.160 2.799 2.729 2.938 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ASP HA 1 59 ILE H . . 4.340 3.286 3.169 3.471 . 0 0 "[ . 1 . 2]" 1
1040 1 57 ASP QB 1 58 HIS H . . 4.130 3.898 3.782 4.052 . 0 0 "[ . 1 . 2]" 1
1041 1 57 ASP HB2 1 58 HIS H . . 4.710 4.431 4.201 4.612 . 0 0 "[ . 1 . 2]" 1
1042 1 57 ASP HB3 1 58 HIS H . . 4.710 4.360 4.075 4.665 . 0 0 "[ . 1 . 2]" 1
1043 1 58 HIS H 1 58 HIS HB2 . . 3.700 2.404 2.318 2.575 . 0 0 "[ . 1 . 2]" 1
1044 1 58 HIS H 1 58 HIS QB . . 3.220 2.369 2.288 2.526 . 0 0 "[ . 1 . 2]" 1
1045 1 58 HIS H 1 58 HIS HB3 . . 3.700 3.579 3.532 3.648 . 0 0 "[ . 1 . 2]" 1
1046 1 58 HIS H 1 58 HIS HD2 . . 3.830 3.531 3.292 3.709 . 0 0 "[ . 1 . 2]" 1
1047 1 58 HIS H 1 59 ILE HA . . 4.880 4.674 4.439 4.826 . 0 0 "[ . 1 . 2]" 1
1048 1 58 HIS H 1 59 ILE HB . . 4.600 4.365 4.190 4.527 . 0 0 "[ . 1 . 2]" 1
1049 1 58 HIS H 1 59 ILE HG12 . . 4.350 3.165 2.931 3.395 . 0 0 "[ . 1 . 2]" 1
1050 1 58 HIS H 1 59 ILE HG13 . . 5.470 4.806 4.443 5.079 . 0 0 "[ . 1 . 2]" 1
1051 1 58 HIS HA 1 102 ASP H . . 4.890 4.676 4.000 4.888 . 0 0 "[ . 1 . 2]" 1
1052 1 58 HIS QB 1 59 ILE H . . 3.790 3.764 3.687 3.797 0.007 12 0 "[ . 1 . 2]" 1
1053 1 58 HIS QB 1 59 ILE MD . . 4.810 3.748 3.403 4.267 . 0 0 "[ . 1 . 2]" 1
1054 1 58 HIS QB 1 101 TYR QE . . 4.290 3.592 3.080 4.075 . 0 0 "[ . 1 . 2]" 1
1055 1 58 HIS QB 1 102 ASP H . . 4.190 2.920 2.351 3.266 . 0 0 "[ . 1 . 2]" 1
1056 1 58 HIS HB2 1 59 ILE H . . 4.330 4.151 4.016 4.209 . 0 0 "[ . 1 . 2]" 1
1057 1 58 HIS HB2 1 101 TYR QE . . 4.990 3.993 3.439 4.407 . 0 0 "[ . 1 . 2]" 1
1058 1 58 HIS HB2 1 102 ASP H . . 5.020 4.565 4.006 5.000 . 0 0 "[ . 1 . 2]" 1
1059 1 58 HIS HB3 1 59 ILE H . . 4.330 4.311 4.284 4.328 . 0 0 "[ . 1 . 2]" 1
1060 1 58 HIS HB3 1 101 TYR QE . . 4.990 4.083 3.477 4.797 . 0 0 "[ . 1 . 2]" 1
1061 1 58 HIS HB3 1 102 ASP H . . 5.020 2.955 2.367 3.311 . 0 0 "[ . 1 . 2]" 1
1062 1 59 ILE H 1 59 ILE HB . . 3.250 2.526 2.349 2.627 . 0 0 "[ . 1 . 2]" 1
1063 1 59 ILE H 1 59 ILE MD . . 4.050 3.739 3.604 3.922 . 0 0 "[ . 1 . 2]" 1
1064 1 59 ILE H 1 59 ILE HG12 . . 3.690 2.824 2.644 3.000 . 0 0 "[ . 1 . 2]" 1
1065 1 59 ILE H 1 59 ILE HG13 . . 4.240 4.103 3.866 4.256 0.016 7 0 "[ . 1 . 2]" 1
1066 1 59 ILE H 1 59 ILE MG . . 4.460 3.791 3.689 3.845 . 0 0 "[ . 1 . 2]" 1
1067 1 59 ILE H 1 60 LYS H . . 4.730 4.493 4.366 4.568 . 0 0 "[ . 1 . 2]" 1
1068 1 59 ILE H 1 75 VAL QG . . 4.570 3.844 3.465 4.273 . 0 0 "[ . 1 . 2]" 1
1069 1 59 ILE H 1 83 TYR QD . . 5.140 4.803 4.243 5.073 . 0 0 "[ . 1 . 2]" 1
1070 1 59 ILE HA 1 59 ILE MD . . 3.670 2.028 1.942 2.168 . 0 0 "[ . 1 . 2]" 1
1071 1 59 ILE HA 1 60 LYS H . . 2.870 2.219 2.145 2.261 . 0 0 "[ . 1 . 2]" 1
1072 1 59 ILE HA 1 102 ASP H . . 4.460 4.248 3.636 4.480 0.020 14 0 "[ . 1 . 2]" 1
1073 1 59 ILE HB 1 60 LYS H . . 4.290 4.017 3.902 4.247 . 0 0 "[ . 1 . 2]" 1
1074 1 59 ILE HB 1 75 VAL QG . . 3.860 2.708 2.182 3.259 . 0 0 "[ . 1 . 2]" 1
1075 1 59 ILE MD 1 59 ILE MG . . 3.130 2.022 1.873 2.138 . 0 0 "[ . 1 . 2]" 1
1076 1 59 ILE MD 1 60 LYS H . . 3.540 3.242 2.924 3.555 0.015 13 0 "[ . 1 . 2]" 1
1077 1 59 ILE MD 1 83 TYR QD . . 5.010 3.369 3.059 3.635 . 0 0 "[ . 1 . 2]" 1
1078 1 59 ILE MD 1 99 VAL MG1 . . 3.490 3.396 3.282 3.490 0.000 13 0 "[ . 1 . 2]" 1
1079 1 59 ILE MD 1 100 THR H . . 4.790 4.711 4.492 4.799 0.009 13 0 "[ . 1 . 2]" 1
1080 1 59 ILE MD 1 101 TYR H . . 5.500 4.772 4.504 4.905 . 0 0 "[ . 1 . 2]" 1
1081 1 59 ILE MD 1 101 TYR HA . . 4.180 2.924 2.597 3.056 . 0 0 "[ . 1 . 2]" 1
1082 1 59 ILE MD 1 101 TYR HB2 . . 4.370 3.049 2.847 3.171 . 0 0 "[ . 1 . 2]" 1
1083 1 59 ILE MD 1 101 TYR QB . . 3.790 2.982 2.799 3.089 . 0 0 "[ . 1 . 2]" 1
1084 1 59 ILE MD 1 101 TYR HB3 . . 4.370 4.224 4.114 4.362 . 0 0 "[ . 1 . 2]" 1
1085 1 59 ILE MD 1 101 TYR QD . . 3.250 1.924 1.819 2.137 . 0 0 "[ . 1 . 2]" 1
1086 1 59 ILE MD 1 102 ASP H . . 4.370 4.162 3.655 4.373 0.003 17 0 "[ . 1 . 2]" 1
1087 1 59 ILE HG13 1 60 LYS H . . 5.330 5.077 4.836 5.329 . 0 0 "[ . 1 . 2]" 1
1088 1 59 ILE HG13 1 83 TYR QD . . 5.230 2.831 2.756 2.919 . 0 0 "[ . 1 . 2]" 1
1089 1 59 ILE MG 1 60 LYS H . . 3.150 2.108 1.889 2.425 . 0 0 "[ . 1 . 2]" 1
1090 1 59 ILE MG 1 60 LYS HA . . 4.460 3.276 3.084 3.492 . 0 0 "[ . 1 . 2]" 1
1091 1 59 ILE MG 1 61 ALA H . . 4.530 4.229 4.015 4.550 0.020 11 0 "[ . 1 . 2]" 1
1092 1 59 ILE MG 1 75 VAL HB . . 5.020 3.979 2.793 4.993 . 0 0 "[ . 1 . 2]" 1
1093 1 59 ILE MG 1 75 VAL MG1 . . 3.610 2.358 1.948 2.922 . 0 0 "[ . 1 . 2]" 1
1094 1 59 ILE MG 1 75 VAL QG . . 3.140 2.190 1.940 2.566 . 0 0 "[ . 1 . 2]" 1
1095 1 59 ILE MG 1 75 VAL MG2 . . 3.610 3.032 2.315 3.614 0.004 9 0 "[ . 1 . 2]" 1
1096 1 59 ILE MG 1 83 TYR QD . . 5.050 3.749 3.540 4.008 . 0 0 "[ . 1 . 2]" 1
1097 1 59 ILE MG 1 85 VAL MG2 . . 3.430 2.850 2.608 3.095 . 0 0 "[ . 1 . 2]" 1
1098 1 59 ILE MG 1 100 THR H . . 4.760 4.249 3.897 4.537 . 0 0 "[ . 1 . 2]" 1
1099 1 60 LYS H 1 60 LYS HB2 . . 3.760 3.265 2.539 3.443 . 0 0 "[ . 1 . 2]" 1
1100 1 60 LYS H 1 60 LYS QB . . 3.260 2.706 2.490 2.855 . 0 0 "[ . 1 . 2]" 1
1101 1 60 LYS H 1 60 LYS HB3 . . 3.760 2.940 2.665 3.601 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LYS H 1 61 ALA H . . 4.510 4.279 4.139 4.453 . 0 0 "[ . 1 . 2]" 1
1103 1 60 LYS H 1 75 VAL QG . . 4.650 4.065 3.836 4.364 . 0 0 "[ . 1 . 2]" 1
1104 1 60 LYS H 1 99 VAL HA . . 4.850 4.577 4.330 4.762 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LYS H 1 99 VAL MG1 . . 3.940 3.549 3.288 3.835 . 0 0 "[ . 1 . 2]" 1
1106 1 60 LYS H 1 100 THR H . . 3.600 3.361 3.136 3.605 0.005 9 0 "[ . 1 . 2]" 1
1107 1 60 LYS H 1 101 TYR HA . . 4.420 4.313 3.839 4.435 0.015 18 0 "[ . 1 . 2]" 1
1108 1 60 LYS HA 1 60 LYS HD2 . . 5.000 3.304 2.081 4.661 . 0 0 "[ . 1 . 2]" 1
1109 1 60 LYS HA 1 60 LYS QD . . 4.260 2.824 1.989 4.025 . 0 0 "[ . 1 . 2]" 1
1110 1 60 LYS HA 1 60 LYS HD3 . . 5.000 3.598 1.999 4.797 . 0 0 "[ . 1 . 2]" 1
1111 1 60 LYS HA 1 60 LYS HG2 . . 3.950 3.428 2.209 3.872 . 0 0 "[ . 1 . 2]" 1
1112 1 60 LYS HA 1 60 LYS HG3 . . 3.950 2.940 2.547 3.615 . 0 0 "[ . 1 . 2]" 1
1113 1 60 LYS HA 1 61 ALA H . . 2.640 2.212 2.172 2.445 . 0 0 "[ . 1 . 2]" 1
1114 1 60 LYS HA 1 61 ALA MB . . 4.330 3.863 3.769 3.937 . 0 0 "[ . 1 . 2]" 1
1115 1 60 LYS HA 1 75 VAL QG . . 3.620 2.804 2.496 3.245 . 0 0 "[ . 1 . 2]" 1
1116 1 60 LYS QB 1 60 LYS QD . . 3.110 2.202 1.992 2.567 . 0 0 "[ . 1 . 2]" 1
1117 1 60 LYS QB 1 61 ALA H . . 3.850 3.552 2.406 3.693 . 0 0 "[ . 1 . 2]" 1
1118 1 60 LYS QB 1 100 THR H . . 4.500 3.746 2.866 4.186 . 0 0 "[ . 1 . 2]" 1
1119 1 60 LYS HB2 1 61 ALA H . . 4.390 4.111 3.842 4.267 . 0 0 "[ . 1 . 2]" 1
1120 1 60 LYS HB3 1 61 ALA H . . 4.390 3.931 2.431 4.159 . 0 0 "[ . 1 . 2]" 1
1121 1 60 LYS QD 1 61 ALA H . . 4.760 3.206 2.085 4.779 0.019 11 0 "[ . 1 . 2]" 1
1122 1 60 LYS QE 1 60 LYS QG . . 2.950 2.205 2.095 2.399 . 0 0 "[ . 1 . 2]" 1
1123 1 60 LYS HE2 1 60 LYS HG2 . . 3.890 3.058 2.400 3.825 . 0 0 "[ . 1 . 2]" 1
1124 1 60 LYS HE2 1 60 LYS HG3 . . 3.890 2.868 2.173 3.846 . 0 0 "[ . 1 . 2]" 1
1125 1 60 LYS HE2 1 61 ALA H . . 4.910 4.024 2.041 4.914 0.004 18 0 "[ . 1 . 2]" 1
1126 1 60 LYS HE3 1 60 LYS HG2 . . 3.890 3.297 2.222 3.890 0.000 14 0 "[ . 1 . 2]" 1
1127 1 60 LYS HE3 1 60 LYS HG3 . . 3.890 3.168 2.391 3.892 0.002 9 0 "[ . 1 . 2]" 1
1128 1 60 LYS HE3 1 61 ALA H . . 4.910 4.153 2.365 4.930 0.020 9 0 "[ . 1 . 2]" 1
1129 1 60 LYS QG 1 61 ALA H . . 3.470 2.533 1.885 3.132 . 0 0 "[ . 1 . 2]" 1
1130 1 60 LYS HG2 1 61 ALA H . . 4.220 3.719 1.892 4.232 0.012 14 0 "[ . 1 . 2]" 1
1131 1 60 LYS HG3 1 61 ALA H . . 4.220 2.935 2.393 4.256 0.036 11 0 "[ . 1 . 2]" 1
1132 1 61 ALA H 1 61 ALA MB . . 3.090 2.556 2.438 2.786 . 0 0 "[ . 1 . 2]" 1
1133 1 61 ALA H 1 62 HIS H . . 4.490 4.429 4.213 4.484 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ALA H 1 62 HIS HA . . 4.930 4.918 4.792 4.993 0.063 7 0 "[ . 1 . 2]" 1
1135 1 61 ALA H 1 75 VAL QG . . 3.630 3.251 2.986 3.597 . 0 0 "[ . 1 . 2]" 1
1136 1 61 ALA HA 1 62 HIS H . . 2.720 2.324 2.215 2.402 . 0 0 "[ . 1 . 2]" 1
1137 1 61 ALA HA 1 98 GLU H . . 4.960 4.498 4.308 4.747 . 0 0 "[ . 1 . 2]" 1
1138 1 61 ALA HA 1 99 VAL HA . . 3.740 2.868 2.632 2.991 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ALA HA 1 99 VAL MG2 . . 3.910 3.420 3.222 3.668 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ALA HA 1 100 THR H . . 4.350 4.125 3.965 4.275 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ALA MB 1 62 HIS H . . 3.130 2.643 2.419 2.850 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ALA MB 1 73 CYS H . . 5.500 5.315 5.036 5.501 0.001 14 0 "[ . 1 . 2]" 1
1143 1 61 ALA MB 1 73 CYS HB2 . . 3.930 3.037 2.667 3.395 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ALA MB 1 73 CYS HB3 . . 3.930 3.196 2.778 3.585 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ALA MB 1 74 PHE H . . 5.500 5.274 4.964 5.505 0.005 18 0 "[ . 1 . 2]" 1
1146 1 61 ALA MB 1 85 VAL MG1 . . 3.190 2.582 2.299 2.841 . 0 0 "[ . 1 . 2]" 1
1147 1 61 ALA MB 1 85 VAL MG2 . . 3.720 2.804 2.525 3.124 . 0 0 "[ . 1 . 2]" 1
1148 1 61 ALA MB 1 99 VAL HA . . 4.080 3.667 3.412 3.860 . 0 0 "[ . 1 . 2]" 1
1149 1 61 ALA MB 1 100 THR H . . 4.950 4.851 4.656 4.964 0.014 18 0 "[ . 1 . 2]" 1
1150 1 62 HIS H 1 62 HIS HB2 . . 3.560 3.301 3.082 3.519 . 0 0 "[ . 1 . 2]" 1
1151 1 62 HIS H 1 62 HIS QB . . 3.100 2.726 2.646 2.782 . 0 0 "[ . 1 . 2]" 1
1152 1 62 HIS H 1 62 HIS HB3 . . 3.560 2.915 2.795 3.097 . 0 0 "[ . 1 . 2]" 1
1153 1 62 HIS H 1 62 HIS HD2 . . 5.500 5.005 4.639 5.522 0.022 7 0 "[ . 1 . 2]" 1
1154 1 62 HIS H 1 63 ILE H . . 4.210 3.935 3.840 4.109 . 0 0 "[ . 1 . 2]" 1
1155 1 62 HIS H 1 97 VAL HA . . 4.180 3.819 3.623 3.994 . 0 0 "[ . 1 . 2]" 1
1156 1 62 HIS H 1 97 VAL MG1 . . 3.730 2.850 2.418 3.158 . 0 0 "[ . 1 . 2]" 1
1157 1 62 HIS H 1 98 GLU H . . 3.500 2.756 2.521 3.022 . 0 0 "[ . 1 . 2]" 1
1158 1 62 HIS H 1 98 GLU QB . . 3.890 3.639 3.119 3.894 0.004 3 0 "[ . 1 . 2]" 1
1159 1 62 HIS H 1 99 VAL HA . . 4.480 4.347 4.076 4.491 0.011 18 0 "[ . 1 . 2]" 1
1160 1 62 HIS H 1 99 VAL MG2 . . 4.170 4.096 3.874 4.179 0.009 12 0 "[ . 1 . 2]" 1
1161 1 62 HIS HA 1 62 HIS HD2 . . 5.310 3.666 2.524 4.218 . 0 0 "[ . 1 . 2]" 1
1162 1 62 HIS HA 1 63 ILE H . . 2.980 2.151 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
1163 1 62 HIS QB 1 63 ILE H . . 4.010 3.900 3.834 3.945 . 0 0 "[ . 1 . 2]" 1
1164 1 62 HIS QB 1 98 GLU H . . 4.270 3.294 2.737 3.492 . 0 0 "[ . 1 . 2]" 1
1165 1 62 HIS HB2 1 63 ILE H . . 4.600 4.420 4.269 4.533 . 0 0 "[ . 1 . 2]" 1
1166 1 62 HIS HB2 1 98 GLU H . . 5.040 4.786 4.278 5.020 . 0 0 "[ . 1 . 2]" 1
1167 1 62 HIS HB2 1 98 GLU QB . . 4.340 4.102 3.449 4.350 0.010 9 0 "[ . 1 . 2]" 1
1168 1 62 HIS HB3 1 63 ILE H . . 4.600 4.344 4.185 4.438 . 0 0 "[ . 1 . 2]" 1
1169 1 62 HIS HB3 1 98 GLU H . . 5.040 3.358 2.769 3.578 . 0 0 "[ . 1 . 2]" 1
1170 1 62 HIS HB3 1 98 GLU QB . . 4.340 2.707 1.971 3.201 . 0 0 "[ . 1 . 2]" 1
1171 1 62 HIS HD2 1 63 ILE H . . 4.430 3.706 2.297 4.363 . 0 0 "[ . 1 . 2]" 1
1172 1 62 HIS HD2 1 70 SER QB . . 5.180 3.865 3.005 5.067 . 0 0 "[ . 1 . 2]" 1
1173 1 62 HIS HD2 1 98 GLU QB . . 5.500 4.728 3.718 5.535 0.035 7 0 "[ . 1 . 2]" 1
1174 1 62 HIS HE1 1 70 SER QB . . 5.000 3.863 3.054 4.659 . 0 0 "[ . 1 . 2]" 1
1175 1 63 ILE H 1 63 ILE HB . . 3.280 2.492 2.422 2.569 . 0 0 "[ . 1 . 2]" 1
1176 1 63 ILE H 1 63 ILE MD . . 4.020 3.336 3.169 3.560 . 0 0 "[ . 1 . 2]" 1
1177 1 63 ILE H 1 63 ILE HG12 . . 3.880 3.812 3.655 3.897 0.017 14 0 "[ . 1 . 2]" 1
1178 1 63 ILE H 1 63 ILE QG . . 3.380 2.371 2.274 2.463 . 0 0 "[ . 1 . 2]" 1
1179 1 63 ILE H 1 63 ILE HG13 . . 3.880 2.395 2.293 2.490 . 0 0 "[ . 1 . 2]" 1
1180 1 63 ILE H 1 63 ILE MG . . 3.800 3.775 3.750 3.798 . 0 0 "[ . 1 . 2]" 1
1181 1 63 ILE H 1 64 ALA H . . 4.590 4.588 4.564 4.606 0.016 16 0 "[ . 1 . 2]" 1
1182 1 63 ILE H 1 70 SER QB . . 4.660 4.272 3.906 4.666 0.006 14 0 "[ . 1 . 2]" 1
1183 1 63 ILE H 1 71 THR H . . 4.350 4.208 3.987 4.342 . 0 0 "[ . 1 . 2]" 1
1184 1 63 ILE H 1 71 THR HB . . 4.550 4.518 4.379 4.553 0.003 9 0 "[ . 1 . 2]" 1
1185 1 63 ILE H 1 98 GLU H . . 5.300 5.033 4.670 5.268 . 0 0 "[ . 1 . 2]" 1
1186 1 63 ILE HA 1 63 ILE MD . . 4.720 3.878 3.849 3.914 . 0 0 "[ . 1 . 2]" 1
1187 1 63 ILE HA 1 64 ALA H . . 3.140 2.235 2.210 2.275 . 0 0 "[ . 1 . 2]" 1
1188 1 63 ILE HA 1 97 VAL MG2 . . 4.130 2.523 2.118 2.931 . 0 0 "[ . 1 . 2]" 1
1189 1 63 ILE HB 1 63 ILE MD . . 3.730 2.253 2.130 2.418 . 0 0 "[ . 1 . 2]" 1
1190 1 63 ILE HB 1 64 ALA H . . 4.300 3.932 3.848 3.998 . 0 0 "[ . 1 . 2]" 1
1191 1 63 ILE HB 1 71 THR H . . 3.350 2.448 2.177 2.719 . 0 0 "[ . 1 . 2]" 1
1192 1 63 ILE HB 1 71 THR HB . . 3.720 2.296 2.015 2.483 . 0 0 "[ . 1 . 2]" 1
1193 1 63 ILE MD 1 63 ILE MG . . 2.910 2.303 2.018 2.464 . 0 0 "[ . 1 . 2]" 1
1194 1 63 ILE MD 1 64 ALA H . . 5.120 4.968 4.853 5.076 . 0 0 "[ . 1 . 2]" 1
1195 1 63 ILE MD 1 71 THR H . . 4.370 3.767 3.501 4.010 . 0 0 "[ . 1 . 2]" 1
1196 1 63 ILE MD 1 71 THR HA . . 5.350 4.350 4.095 4.679 . 0 0 "[ . 1 . 2]" 1
1197 1 63 ILE MD 1 71 THR HB . . 4.040 1.979 1.886 2.055 . 0 0 "[ . 1 . 2]" 1
1198 1 63 ILE MD 1 71 THR MG . . 3.700 2.474 2.195 2.904 . 0 0 "[ . 1 . 2]" 1
1199 1 63 ILE MD 1 73 CYS HB2 . . 4.630 3.938 3.385 4.523 . 0 0 "[ . 1 . 2]" 1
1200 1 63 ILE MD 1 73 CYS QB . . 3.960 2.838 2.180 3.633 . 0 0 "[ . 1 . 2]" 1
1201 1 63 ILE MD 1 73 CYS HB3 . . 4.630 2.929 2.207 3.936 . 0 0 "[ . 1 . 2]" 1
1202 1 63 ILE MD 1 87 TYR HB2 . . 3.970 2.401 2.136 2.603 . 0 0 "[ . 1 . 2]" 1
1203 1 63 ILE MD 1 87 TYR HB3 . . 4.110 2.568 2.205 2.890 . 0 0 "[ . 1 . 2]" 1
1204 1 63 ILE MD 1 87 TYR QD . . 3.600 2.435 2.298 2.504 . 0 0 "[ . 1 . 2]" 1
1205 1 63 ILE MD 1 87 TYR QE . . 4.070 3.074 2.743 3.494 . 0 0 "[ . 1 . 2]" 1
1206 1 63 ILE MD 1 97 VAL MG1 . . 4.160 4.067 3.847 4.176 0.016 5 0 "[ . 1 . 2]" 1
1207 1 63 ILE QG 1 64 ALA H . . 4.840 3.972 3.861 4.070 . 0 0 "[ . 1 . 2]" 1
1208 1 63 ILE QG 1 97 VAL MG2 . . 3.850 1.951 1.771 2.104 . 0 0 "[ . 1 . 2]" 1
1209 1 63 ILE QG 1 98 GLU H . . 5.340 4.826 4.533 5.072 . 0 0 "[ . 1 . 2]" 1
1210 1 63 ILE MG 1 64 ALA H . . 3.100 1.962 1.874 2.152 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ILE MG 1 64 ALA HA . . 3.860 3.489 3.266 3.635 . 0 0 "[ . 1 . 2]" 1
1212 1 63 ILE MG 1 64 ALA MB . . 4.150 3.810 3.757 3.873 . 0 0 "[ . 1 . 2]" 1
1213 1 63 ILE MG 1 65 ASN H . . 4.650 3.577 3.296 3.850 . 0 0 "[ . 1 . 2]" 1
1214 1 63 ILE MG 1 65 ASN HA . . 4.830 3.821 3.704 4.021 . 0 0 "[ . 1 . 2]" 1
1215 1 63 ILE MG 1 71 THR H . . 3.590 2.727 2.499 3.056 . 0 0 "[ . 1 . 2]" 1
1216 1 63 ILE MG 1 71 THR HB . . 3.770 2.492 2.110 2.815 . 0 0 "[ . 1 . 2]" 1
1217 1 63 ILE MG 1 71 THR HG1 . . 4.530 2.723 1.990 4.045 . 0 0 "[ . 1 . 2]" 1
1218 1 63 ILE MG 1 71 THR MG . . 3.960 3.659 3.323 3.958 . 0 0 "[ . 1 . 2]" 1
1219 1 63 ILE MG 1 87 TYR QD . . 4.670 4.071 3.821 4.313 . 0 0 "[ . 1 . 2]" 1
1220 1 63 ILE MG 1 87 TYR QE . . 4.760 3.781 3.626 4.056 . 0 0 "[ . 1 . 2]" 1
1221 1 63 ILE MG 1 95 HIS H . . 5.100 4.768 4.564 4.952 . 0 0 "[ . 1 . 2]" 1
1222 1 63 ILE MG 1 95 HIS HB2 . . 4.120 2.382 2.180 2.606 . 0 0 "[ . 1 . 2]" 1
1223 1 63 ILE MG 1 95 HIS HB3 . . 3.820 2.244 2.032 2.423 . 0 0 "[ . 1 . 2]" 1
1224 1 63 ILE MG 1 95 HIS HD2 . . 3.480 2.876 2.668 3.059 . 0 0 "[ . 1 . 2]" 1
1225 1 63 ILE MG 1 96 VAL H . . 3.720 3.668 3.489 3.738 0.018 18 0 "[ . 1 . 2]" 1
1226 1 64 ALA H 1 64 ALA MB . . 2.980 2.524 2.443 2.614 . 0 0 "[ . 1 . 2]" 1
1227 1 64 ALA H 1 65 ASN H . . 4.350 4.036 3.929 4.122 . 0 0 "[ . 1 . 2]" 1
1228 1 64 ALA H 1 95 HIS HB2 . . 4.980 3.392 3.310 3.498 . 0 0 "[ . 1 . 2]" 1
1229 1 64 ALA H 1 95 HIS HB3 . . 4.840 2.754 2.677 2.875 . 0 0 "[ . 1 . 2]" 1
1230 1 64 ALA H 1 95 HIS HD2 . . 5.500 5.515 5.504 5.548 0.048 14 0 "[ . 1 . 2]" 1
1231 1 64 ALA H 1 96 VAL H . . 3.650 2.603 2.471 2.703 . 0 0 "[ . 1 . 2]" 1
1232 1 64 ALA H 1 96 VAL HB . . 4.040 3.985 3.872 4.048 0.008 13 0 "[ . 1 . 2]" 1
1233 1 64 ALA H 1 96 VAL MG1 . . 5.090 4.673 4.473 4.804 . 0 0 "[ . 1 . 2]" 1
1234 1 64 ALA H 1 96 VAL MG2 . . 5.500 4.774 4.624 4.960 . 0 0 "[ . 1 . 2]" 1
1235 1 64 ALA H 1 98 GLU H . . 5.270 5.237 5.092 5.278 0.008 6 0 "[ . 1 . 2]" 1
1236 1 64 ALA HA 1 65 ASN H . . 2.980 2.161 2.146 2.186 . 0 0 "[ . 1 . 2]" 1
1237 1 64 ALA HA 1 70 SER HA . . 4.470 2.889 2.651 3.147 . 0 0 "[ . 1 . 2]" 1
1238 1 64 ALA HA 1 70 SER QB . . 4.630 3.538 3.292 3.781 . 0 0 "[ . 1 . 2]" 1
1239 1 64 ALA HA 1 71 THR H . . 4.400 4.100 3.759 4.335 . 0 0 "[ . 1 . 2]" 1
1240 1 64 ALA MB 1 65 ASN H . . 3.620 3.394 3.305 3.477 . 0 0 "[ . 1 . 2]" 1
1241 1 64 ALA MB 1 68 GLY H . . 5.440 5.190 5.069 5.402 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ALA MB 1 96 VAL H . . 3.510 2.484 2.291 2.743 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ALA MB 1 96 VAL HB . . 3.140 2.193 1.970 2.459 . 0 0 "[ . 1 . 2]" 1
1244 1 65 ASN H 1 65 ASN HB2 . . 3.300 2.326 2.274 2.445 . 0 0 "[ . 1 . 2]" 1
1245 1 65 ASN H 1 65 ASN HB3 . . 3.780 3.563 3.546 3.588 . 0 0 "[ . 1 . 2]" 1
1246 1 65 ASN H 1 65 ASN HD21 . . 4.390 3.897 3.699 4.154 . 0 0 "[ . 1 . 2]" 1
1247 1 65 ASN H 1 65 ASN HD22 . . 4.480 4.429 4.314 4.485 0.005 7 0 "[ . 1 . 2]" 1
1248 1 65 ASN H 1 66 PRO HD2 . . 4.960 4.766 4.744 4.785 . 0 0 "[ . 1 . 2]" 1
1249 1 65 ASN H 1 66 PRO HD3 . . 5.230 5.044 5.016 5.070 . 0 0 "[ . 1 . 2]" 1
1250 1 65 ASN H 1 68 GLY H . . 4.240 4.139 3.987 4.244 0.004 4 0 "[ . 1 . 2]" 1
1251 1 65 ASN H 1 69 ALA H . . 4.630 4.409 4.109 4.586 . 0 0 "[ . 1 . 2]" 1
1252 1 65 ASN H 1 69 ALA MB . . 4.320 4.106 4.002 4.324 0.004 4 0 "[ . 1 . 2]" 1
1253 1 65 ASN H 1 70 SER H . . 5.000 4.747 4.567 5.004 0.004 4 0 "[ . 1 . 2]" 1
1254 1 65 ASN H 1 70 SER HA . . 3.430 2.817 2.565 3.035 . 0 0 "[ . 1 . 2]" 1
1255 1 65 ASN H 1 70 SER QB . . 4.410 4.291 4.039 4.409 . 0 0 "[ . 1 . 2]" 1
1256 1 65 ASN H 1 71 THR H . . 4.550 4.039 3.867 4.170 . 0 0 "[ . 1 . 2]" 1
1257 1 65 ASN HA 1 66 PRO HD2 . . 3.620 2.406 2.346 2.451 . 0 0 "[ . 1 . 2]" 1
1258 1 65 ASN HA 1 66 PRO HD3 . . 3.940 2.302 2.281 2.320 . 0 0 "[ . 1 . 2]" 1
1259 1 65 ASN HA 1 66 PRO HG2 . . 4.640 4.518 4.469 4.554 . 0 0 "[ . 1 . 2]" 1
1260 1 65 ASN HA 1 95 HIS HA . . 4.730 3.047 2.898 3.275 . 0 0 "[ . 1 . 2]" 1
1261 1 65 ASN HA 1 95 HIS HD2 . . 5.350 5.110 4.968 5.213 . 0 0 "[ . 1 . 2]" 1
1262 1 65 ASN HA 1 96 VAL H . . 4.490 4.346 4.165 4.453 . 0 0 "[ . 1 . 2]" 1
1263 1 65 ASN HB2 1 66 PRO HD2 . . 4.850 3.676 3.612 3.740 . 0 0 "[ . 1 . 2]" 1
1264 1 65 ASN HB2 1 66 PRO HD3 . . 4.780 4.738 4.697 4.779 . 0 0 "[ . 1 . 2]" 1
1265 1 65 ASN HB2 1 67 SER H . . 3.660 3.130 2.994 3.230 . 0 0 "[ . 1 . 2]" 1
1266 1 65 ASN HB2 1 68 GLY H . . 3.950 2.955 2.693 3.277 . 0 0 "[ . 1 . 2]" 1
1267 1 65 ASN HB2 1 69 ALA H . . 3.500 2.790 2.515 2.946 . 0 0 "[ . 1 . 2]" 1
1268 1 65 ASN HB2 1 69 ALA MB . . 4.420 2.700 2.551 3.012 . 0 0 "[ . 1 . 2]" 1
1269 1 65 ASN HB3 1 66 PRO HD2 . . 4.460 2.083 1.998 2.173 . 0 0 "[ . 1 . 2]" 1
1270 1 65 ASN HB3 1 66 PRO HD3 . . 4.370 3.524 3.451 3.598 . 0 0 "[ . 1 . 2]" 1
1271 1 65 ASN HB3 1 68 GLY H . . 4.110 3.389 3.265 3.683 . 0 0 "[ . 1 . 2]" 1
1272 1 65 ASN HB3 1 69 ALA H . . 4.200 3.793 3.555 3.989 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ASN HB3 1 91 GLU HB3 . . 4.730 3.813 3.456 4.263 . 0 0 "[ . 1 . 2]" 1
1274 1 65 ASN HD21 1 67 SER H . . 4.910 4.801 4.661 4.916 0.006 2 0 "[ . 1 . 2]" 1
1275 1 65 ASN HD21 1 68 GLY H . . 5.230 4.891 4.689 5.231 0.001 4 0 "[ . 1 . 2]" 1
1276 1 65 ASN HD21 1 69 ALA H . . 4.780 3.761 3.587 4.111 . 0 0 "[ . 1 . 2]" 1
1277 1 65 ASN HD21 1 69 ALA MB . . 4.010 1.927 1.771 2.441 . 0 0 "[ . 1 . 2]" 1
1278 1 65 ASN HD21 1 70 SER H . . 4.710 4.155 3.669 4.449 . 0 0 "[ . 1 . 2]" 1
1279 1 65 ASN HD21 1 90 PHE QE . . 4.400 2.474 2.047 2.869 . 0 0 "[ . 1 . 2]" 1
1280 1 65 ASN HD21 1 90 PHE HZ . . 4.290 3.722 3.194 4.107 . 0 0 "[ . 1 . 2]" 1
1281 1 65 ASN HD21 1 91 GLU HB3 . . 5.270 4.711 4.268 5.162 . 0 0 "[ . 1 . 2]" 1
1282 1 65 ASN HD21 1 91 GLU QG . . 4.280 3.478 3.088 3.920 . 0 0 "[ . 1 . 2]" 1
1283 1 65 ASN HD22 1 69 ALA MB . . 4.610 3.175 2.734 3.898 . 0 0 "[ . 1 . 2]" 1
1284 1 65 ASN HD22 1 70 SER H . . 5.290 4.844 4.231 5.263 . 0 0 "[ . 1 . 2]" 1
1285 1 65 ASN HD22 1 71 THR H . . 4.610 4.302 3.673 4.598 . 0 0 "[ . 1 . 2]" 1
1286 1 65 ASN HD22 1 90 PHE QE . . 5.140 2.828 2.273 3.534 . 0 0 "[ . 1 . 2]" 1
1287 1 65 ASN HD22 1 90 PHE HZ . . 4.880 3.530 3.003 4.062 . 0 0 "[ . 1 . 2]" 1
1288 1 66 PRO QB 1 67 SER H . . 3.760 3.669 3.555 3.706 . 0 0 "[ . 1 . 2]" 1
1289 1 66 PRO QB 1 94 LEU H . . 4.450 3.266 3.013 3.620 . 0 0 "[ . 1 . 2]" 1
1290 1 66 PRO HD2 1 67 SER H . . 3.320 2.949 2.806 3.003 . 0 0 "[ . 1 . 2]" 1
1291 1 66 PRO HD2 1 68 GLY H . . 4.760 4.654 4.583 4.721 . 0 0 "[ . 1 . 2]" 1
1292 1 66 PRO HD2 1 95 HIS HE1 . . 4.790 3.250 3.062 3.502 . 0 0 "[ . 1 . 2]" 1
1293 1 66 PRO HD3 1 67 SER H . . 4.170 4.001 3.926 4.029 . 0 0 "[ . 1 . 2]" 1
1294 1 66 PRO HD3 1 68 GLY H . . 5.500 5.507 5.473 5.539 0.039 13 0 "[ . 1 . 2]" 1
1295 1 66 PRO HG2 1 67 SER H . . 3.970 3.227 2.977 3.312 . 0 0 "[ . 1 . 2]" 1
1296 1 66 PRO HG2 1 91 GLU HB2 . . 5.400 5.205 4.700 5.404 0.004 13 0 "[ . 1 . 2]" 1
1297 1 66 PRO HG2 1 93 GLY H . . 5.500 5.426 5.242 5.508 0.008 7 0 "[ . 1 . 2]" 1
1298 1 66 PRO HG2 1 94 LEU H . . 4.660 4.342 4.095 4.668 0.008 14 0 "[ . 1 . 2]" 1
1299 1 66 PRO HG2 1 95 HIS HE1 . . 5.340 4.493 4.327 4.722 . 0 0 "[ . 1 . 2]" 1
1300 1 66 PRO HG3 1 67 SER H . . 4.590 4.526 4.335 4.591 0.001 17 0 "[ . 1 . 2]" 1
1301 1 66 PRO HG3 1 94 LEU H . . 3.740 2.615 2.368 2.977 . 0 0 "[ . 1 . 2]" 1
1302 1 67 SER H 1 67 SER QB . . 3.020 2.335 2.227 2.426 . 0 0 "[ . 1 . 2]" 1
1303 1 67 SER H 1 68 GLY H . . 3.150 2.066 1.982 2.311 . 0 0 "[ . 1 . 2]" 1
1304 1 67 SER H 1 68 GLY HA2 . . 5.070 4.502 4.416 4.712 . 0 0 "[ . 1 . 2]" 1
1305 1 67 SER H 1 68 GLY QA . . 4.420 4.134 4.062 4.321 . 0 0 "[ . 1 . 2]" 1
1306 1 67 SER H 1 68 GLY HA3 . . 5.070 4.816 4.745 5.022 . 0 0 "[ . 1 . 2]" 1
1307 1 67 SER H 1 69 ALA H . . 3.900 3.640 3.387 3.807 . 0 0 "[ . 1 . 2]" 1
1308 1 67 SER H 1 69 ALA MB . . 4.870 4.504 4.282 4.693 . 0 0 "[ . 1 . 2]" 1
1309 1 67 SER HA 1 69 ALA H . . 5.000 4.786 4.619 4.907 . 0 0 "[ . 1 . 2]" 1
1310 1 67 SER HB2 1 68 GLY H . . 4.060 3.152 3.003 3.802 . 0 0 "[ . 1 . 2]" 1
1311 1 67 SER HB2 1 69 ALA H . . 3.940 3.219 3.046 4.066 0.126 4 0 "[ . 1 . 2]" 1
1312 1 67 SER HB3 1 68 GLY H . . 4.060 3.765 3.192 3.947 . 0 0 "[ . 1 . 2]" 1
1313 1 67 SER HB3 1 69 ALA H . . 3.940 3.634 2.702 3.861 . 0 0 "[ . 1 . 2]" 1
1314 1 68 GLY H 1 68 GLY QA . . 2.580 2.390 2.337 2.423 . 0 0 "[ . 1 . 2]" 1
1315 1 68 GLY H 1 69 ALA H . . 3.100 2.340 2.214 2.446 . 0 0 "[ . 1 . 2]" 1
1316 1 68 GLY H 1 69 ALA MB . . 4.100 3.951 3.824 4.116 0.016 4 0 "[ . 1 . 2]" 1
1317 1 68 GLY QA 1 69 ALA H . . 3.060 2.841 2.794 2.906 . 0 0 "[ . 1 . 2]" 1
1318 1 68 GLY HA2 1 69 ALA H . . 3.530 3.458 3.364 3.501 . 0 0 "[ . 1 . 2]" 1
1319 1 68 GLY HA3 1 69 ALA H . . 3.530 3.024 2.937 3.179 . 0 0 "[ . 1 . 2]" 1
1320 1 69 ALA H 1 69 ALA MB . . 2.780 2.144 2.025 2.276 . 0 0 "[ . 1 . 2]" 1
1321 1 69 ALA H 1 70 SER H . . 4.630 4.587 4.499 4.633 0.003 18 0 "[ . 1 . 2]" 1
1322 1 69 ALA HA 1 70 SER H . . 2.790 2.504 2.411 2.615 . 0 0 "[ . 1 . 2]" 1
1323 1 69 ALA MB 1 70 SER H . . 2.620 2.268 2.053 2.449 . 0 0 "[ . 1 . 2]" 1
1324 1 69 ALA MB 1 90 PHE QE . . 4.300 2.146 1.983 2.457 . 0 0 "[ . 1 . 2]" 1
1325 1 69 ALA MB 1 90 PHE HZ . . 4.010 2.730 2.484 2.956 . 0 0 "[ . 1 . 2]" 1
1326 1 70 SER H 1 70 SER QB . . 3.150 3.013 2.755 3.155 0.005 4 0 "[ . 1 . 2]" 1
1327 1 70 SER H 1 71 THR H . . 4.340 4.286 4.221 4.341 0.001 18 0 "[ . 1 . 2]" 1
1328 1 70 SER H 1 71 THR HA . . 4.970 4.718 4.649 4.808 . 0 0 "[ . 1 . 2]" 1
1329 1 70 SER H 1 90 PHE QE . . 4.940 4.064 3.807 4.491 . 0 0 "[ . 1 . 2]" 1
1330 1 70 SER H 1 90 PHE HZ . . 4.200 3.150 2.765 3.554 . 0 0 "[ . 1 . 2]" 1
1331 1 70 SER HA 1 71 THR H . . 2.880 2.163 2.146 2.199 . 0 0 "[ . 1 . 2]" 1
1332 1 70 SER QB 1 71 THR H . . 3.230 3.109 2.943 3.228 . 0 0 "[ . 1 . 2]" 1
1333 1 71 THR H 1 71 THR HB . . 3.250 2.585 2.520 2.667 . 0 0 "[ . 1 . 2]" 1
1334 1 71 THR H 1 71 THR HG1 . . 3.400 2.621 2.114 3.400 . 0 0 "[ . 1 . 2]" 1
1335 1 71 THR H 1 71 THR MG . . 3.970 3.806 3.785 3.824 . 0 0 "[ . 1 . 2]" 1
1336 1 71 THR H 1 72 GLU H . . 4.730 4.512 4.320 4.587 . 0 0 "[ . 1 . 2]" 1
1337 1 71 THR HA 1 72 GLU H . . 3.150 2.187 2.144 2.265 . 0 0 "[ . 1 . 2]" 1
1338 1 71 THR HA 1 90 PHE QE . . 4.270 2.519 2.116 2.927 . 0 0 "[ . 1 . 2]" 1
1339 1 71 THR HA 1 90 PHE HZ . . 5.150 3.213 2.884 3.486 . 0 0 "[ . 1 . 2]" 1
1340 1 71 THR HB 1 72 GLU H . . 4.440 4.042 3.785 4.330 . 0 0 "[ . 1 . 2]" 1
1341 1 71 THR MG 1 72 GLU H . . 3.300 2.323 1.889 2.850 . 0 0 "[ . 1 . 2]" 1
1342 1 71 THR MG 1 72 GLU QB . . 3.990 3.568 3.406 3.842 . 0 0 "[ . 1 . 2]" 1
1343 1 71 THR MG 1 87 TYR HA . . 4.680 3.717 3.522 4.067 . 0 0 "[ . 1 . 2]" 1
1344 1 71 THR MG 1 87 TYR HB2 . . 3.890 2.231 1.966 2.647 . 0 0 "[ . 1 . 2]" 1
1345 1 71 THR MG 1 87 TYR HB3 . . 4.190 3.755 3.543 4.141 . 0 0 "[ . 1 . 2]" 1
1346 1 71 THR MG 1 87 TYR QD . . 3.620 2.220 1.946 2.605 . 0 0 "[ . 1 . 2]" 1
1347 1 71 THR MG 1 88 THR H . . 3.660 2.660 2.514 2.798 . 0 0 "[ . 1 . 2]" 1
1348 1 71 THR MG 1 89 PRO HA . . 3.840 2.259 2.029 2.510 . 0 0 "[ . 1 . 2]" 1
1349 1 71 THR MG 1 89 PRO HB3 . . 4.150 3.585 3.448 4.028 . 0 0 "[ . 1 . 2]" 1
1350 1 71 THR MG 1 90 PHE H . . 4.150 3.406 3.191 3.660 . 0 0 "[ . 1 . 2]" 1
1351 1 71 THR MG 1 90 PHE QD . . 4.080 3.447 2.972 3.902 . 0 0 "[ . 1 . 2]" 1
1352 1 71 THR MG 1 90 PHE QE . . 3.990 3.117 2.537 3.627 . 0 0 "[ . 1 . 2]" 1
1353 1 71 THR MG 1 91 GLU H . . 5.500 5.394 5.171 5.501 0.001 17 0 "[ . 1 . 2]" 1
1354 1 72 GLU H 1 72 GLU HB2 . . 3.240 2.320 2.217 2.467 . 0 0 "[ . 1 . 2]" 1
1355 1 72 GLU H 1 72 GLU QB . . 2.770 2.209 2.149 2.285 . 0 0 "[ . 1 . 2]" 1
1356 1 72 GLU H 1 72 GLU HB3 . . 3.240 2.786 2.698 2.887 . 0 0 "[ . 1 . 2]" 1
1357 1 72 GLU H 1 72 GLU HG2 . . 4.880 4.589 4.535 4.636 . 0 0 "[ . 1 . 2]" 1
1358 1 72 GLU H 1 72 GLU QG . . 4.060 3.947 3.851 4.038 . 0 0 "[ . 1 . 2]" 1
1359 1 72 GLU H 1 72 GLU HG3 . . 4.880 4.305 4.152 4.445 . 0 0 "[ . 1 . 2]" 1
1360 1 72 GLU H 1 73 CYS H . . 4.640 4.566 4.505 4.645 0.005 14 0 "[ . 1 . 2]" 1
1361 1 72 GLU H 1 90 PHE QE . . 3.650 3.400 3.000 3.653 0.003 9 0 "[ . 1 . 2]" 1
1362 1 72 GLU H 1 90 PHE HZ . . 4.970 4.858 4.469 4.968 . 0 0 "[ . 1 . 2]" 1
1363 1 72 GLU HA 1 72 GLU HG2 . . 4.040 3.129 2.842 3.704 . 0 0 "[ . 1 . 2]" 1
1364 1 72 GLU HA 1 72 GLU QG . . 3.490 2.291 2.190 2.524 . 0 0 "[ . 1 . 2]" 1
1365 1 72 GLU HA 1 72 GLU HG3 . . 4.040 2.364 2.247 2.568 . 0 0 "[ . 1 . 2]" 1
1366 1 72 GLU HA 1 73 CYS H . . 2.560 2.183 2.147 2.308 . 0 0 "[ . 1 . 2]" 1
1367 1 72 GLU HA 1 74 PHE QD . . 5.500 5.469 5.320 5.501 0.001 20 0 "[ . 1 . 2]" 1
1368 1 72 GLU QB 1 73 CYS H . . 3.730 3.618 3.339 3.734 0.004 16 0 "[ . 1 . 2]" 1
1369 1 72 GLU QB 1 74 PHE HZ . . 4.260 3.266 2.748 3.908 . 0 0 "[ . 1 . 2]" 1
1370 1 72 GLU HB2 1 73 CYS H . . 4.360 4.299 4.049 4.379 0.019 15 0 "[ . 1 . 2]" 1
1371 1 72 GLU HB2 1 74 PHE HZ . . 5.080 4.646 4.283 5.077 . 0 0 "[ . 1 . 2]" 1
1372 1 72 GLU HB3 1 73 CYS H . . 4.360 3.895 3.550 4.059 . 0 0 "[ . 1 . 2]" 1
1373 1 72 GLU HB3 1 74 PHE HZ . . 5.080 3.345 2.781 4.063 . 0 0 "[ . 1 . 2]" 1
1374 1 72 GLU QG 1 73 CYS H . . 3.110 2.638 1.880 2.862 . 0 0 "[ . 1 . 2]" 1
1375 1 72 GLU QG 1 74 PHE QE . . 4.470 2.566 1.992 3.455 . 0 0 "[ . 1 . 2]" 1
1376 1 72 GLU QG 1 74 PHE HZ . . 5.070 3.592 2.658 4.393 . 0 0 "[ . 1 . 2]" 1
1377 1 72 GLU HG2 1 73 CYS H . . 3.570 3.172 2.670 3.593 0.023 2 0 "[ . 1 . 2]" 1
1378 1 72 GLU HG3 1 73 CYS H . . 3.570 3.000 1.887 3.434 . 0 0 "[ . 1 . 2]" 1
1379 1 73 CYS H 1 73 CYS HB2 . . 3.770 3.497 2.498 3.775 0.005 2 0 "[ . 1 . 2]" 1
1380 1 73 CYS H 1 73 CYS QB . . 3.150 2.805 2.459 2.981 . 0 0 "[ . 1 . 2]" 1
1381 1 73 CYS H 1 73 CYS HB3 . . 3.770 3.135 2.853 3.796 0.026 14 0 "[ . 1 . 2]" 1
1382 1 73 CYS H 1 73 CYS HG . . 3.580 2.571 1.979 3.286 . 0 0 "[ . 1 . 2]" 1
1383 1 73 CYS H 1 74 PHE H . . 4.630 4.499 4.408 4.539 . 0 0 "[ . 1 . 2]" 1
1384 1 73 CYS H 1 85 VAL MG1 . . 5.410 5.136 4.844 5.319 . 0 0 "[ . 1 . 2]" 1
1385 1 73 CYS HA 1 74 PHE H . . 2.850 2.241 2.185 2.339 . 0 0 "[ . 1 . 2]" 1
1386 1 73 CYS HA 1 74 PHE QD . . 4.450 3.298 2.615 4.091 . 0 0 "[ . 1 . 2]" 1
1387 1 73 CYS HA 1 85 VAL MG1 . . 4.790 3.437 3.322 3.701 . 0 0 "[ . 1 . 2]" 1
1388 1 73 CYS HA 1 86 GLU H . . 5.180 4.916 4.609 5.156 . 0 0 "[ . 1 . 2]" 1
1389 1 73 CYS HA 1 87 TYR HA . . 4.620 3.425 2.934 3.828 . 0 0 "[ . 1 . 2]" 1
1390 1 73 CYS HA 1 87 TYR HB2 . . 4.440 3.149 2.960 3.452 . 0 0 "[ . 1 . 2]" 1
1391 1 73 CYS HA 1 87 TYR HB3 . . 4.480 2.446 2.257 2.643 . 0 0 "[ . 1 . 2]" 1
1392 1 73 CYS QB 1 74 PHE H . . 3.370 2.818 2.548 3.003 . 0 0 "[ . 1 . 2]" 1
1393 1 73 CYS QB 1 75 VAL QG . . 4.030 3.521 3.229 3.874 . 0 0 "[ . 1 . 2]" 1
1394 1 73 CYS QB 1 87 TYR HB3 . . 4.250 3.209 2.555 3.741 . 0 0 "[ . 1 . 2]" 1
1395 1 73 CYS HB2 1 74 PHE H . . 4.100 3.086 2.587 4.016 . 0 0 "[ . 1 . 2]" 1
1396 1 73 CYS HB2 1 85 VAL MG1 . . 3.700 2.454 1.893 3.638 . 0 0 "[ . 1 . 2]" 1
1397 1 73 CYS HB3 1 74 PHE H . . 4.100 3.785 2.874 4.099 . 0 0 "[ . 1 . 2]" 1
1398 1 73 CYS HB3 1 85 VAL MG1 . . 3.700 3.144 2.166 3.624 . 0 0 "[ . 1 . 2]" 1
1399 1 74 PHE H 1 74 PHE HB2 . . 3.280 2.748 2.591 2.958 . 0 0 "[ . 1 . 2]" 1
1400 1 74 PHE H 1 74 PHE HB3 . . 3.920 3.799 3.746 3.861 . 0 0 "[ . 1 . 2]" 1
1401 1 74 PHE H 1 74 PHE QD . . 3.470 2.801 2.140 3.407 . 0 0 "[ . 1 . 2]" 1
1402 1 74 PHE H 1 75 VAL HA . . 5.020 4.690 4.588 4.745 . 0 0 "[ . 1 . 2]" 1
1403 1 74 PHE H 1 75 VAL QG . . 4.470 4.208 3.935 4.418 . 0 0 "[ . 1 . 2]" 1
1404 1 74 PHE H 1 85 VAL HA . . 4.290 4.096 3.897 4.223 . 0 0 "[ . 1 . 2]" 1
1405 1 74 PHE H 1 85 VAL MG1 . . 3.810 2.556 2.390 2.729 . 0 0 "[ . 1 . 2]" 1
1406 1 74 PHE H 1 86 GLU H . . 3.460 2.983 2.783 3.147 . 0 0 "[ . 1 . 2]" 1
1407 1 74 PHE H 1 86 GLU QB . . 4.350 4.128 3.939 4.356 0.006 14 0 "[ . 1 . 2]" 1
1408 1 74 PHE H 1 86 GLU HG2 . . 5.370 5.307 5.197 5.380 0.010 13 0 "[ . 1 . 2]" 1
1409 1 74 PHE H 1 87 TYR HA . . 4.090 3.982 3.821 4.088 . 0 0 "[ . 1 . 2]" 1
1410 1 74 PHE HA 1 74 PHE QD . . 4.280 2.839 2.263 3.218 . 0 0 "[ . 1 . 2]" 1
1411 1 74 PHE HA 1 75 VAL H . . 2.860 2.173 2.147 2.203 . 0 0 "[ . 1 . 2]" 1
1412 1 74 PHE HB2 1 75 VAL H . . 4.600 4.357 4.184 4.486 . 0 0 "[ . 1 . 2]" 1
1413 1 74 PHE HB2 1 86 GLU H . . 4.240 2.981 2.683 3.352 . 0 0 "[ . 1 . 2]" 1
1414 1 74 PHE HB2 1 86 GLU QB . . 3.950 2.843 2.573 3.121 . 0 0 "[ . 1 . 2]" 1
1415 1 74 PHE HB3 1 75 VAL H . . 3.900 3.806 3.687 3.905 0.005 14 0 "[ . 1 . 2]" 1
1416 1 74 PHE HB3 1 86 GLU H . . 4.680 4.343 3.824 4.673 . 0 0 "[ . 1 . 2]" 1
1417 1 74 PHE HB3 1 86 GLU QB . . 4.630 4.259 3.625 4.621 . 0 0 "[ . 1 . 2]" 1
1418 1 74 PHE QD 1 75 VAL H . . 4.830 4.620 4.320 4.832 0.002 2 0 "[ . 1 . 2]" 1
1419 1 74 PHE QD 1 86 GLU H . . 5.020 4.334 3.833 4.628 . 0 0 "[ . 1 . 2]" 1
1420 1 74 PHE QD 1 86 GLU QB . . 4.250 3.627 2.375 4.253 0.003 1 0 "[ . 1 . 2]" 1
1421 1 74 PHE QD 1 87 TYR HA . . 5.160 3.445 2.772 4.360 . 0 0 "[ . 1 . 2]" 1
1422 1 75 VAL H 1 75 VAL HB . . 3.660 3.016 2.480 3.660 . 0 0 "[ . 1 . 2]" 1
1423 1 75 VAL H 1 75 VAL QG . . 3.090 2.113 1.840 2.449 . 0 0 "[ . 1 . 2]" 1
1424 1 75 VAL H 1 76 THR H . . 4.620 4.549 4.512 4.582 . 0 0 "[ . 1 . 2]" 1
1425 1 75 VAL H 1 85 VAL HA . . 4.600 4.439 4.235 4.576 . 0 0 "[ . 1 . 2]" 1
1426 1 75 VAL HA 1 76 THR H . . 3.170 2.172 2.150 2.210 . 0 0 "[ . 1 . 2]" 1
1427 1 75 VAL HA 1 85 VAL H . . 5.140 4.498 4.250 4.716 . 0 0 "[ . 1 . 2]" 1
1428 1 75 VAL HA 1 86 GLU H . . 4.260 3.812 3.624 4.077 . 0 0 "[ . 1 . 2]" 1
1429 1 75 VAL HB 1 76 THR H . . 4.230 3.663 3.075 4.184 . 0 0 "[ . 1 . 2]" 1
1430 1 75 VAL QG 1 76 THR H . . 3.620 2.832 1.942 3.534 . 0 0 "[ . 1 . 2]" 1
1431 1 75 VAL QG 1 83 TYR QD . . 4.420 3.630 2.558 4.413 . 0 0 "[ . 1 . 2]" 1
1432 1 75 VAL QG 1 85 VAL MG1 . . 3.180 2.464 2.004 2.811 . 0 0 "[ . 1 . 2]" 1
1433 1 75 VAL QG 1 86 GLU H . . 4.980 4.527 4.246 4.702 . 0 0 "[ . 1 . 2]" 1
1434 1 76 THR H 1 76 THR HB . . 3.260 2.759 2.702 2.781 . 0 0 "[ . 1 . 2]" 1
1435 1 76 THR H 1 76 THR MG . . 3.900 3.898 3.876 3.909 0.009 18 0 "[ . 1 . 2]" 1
1436 1 76 THR H 1 77 ASP H . . 4.570 4.103 3.968 4.290 . 0 0 "[ . 1 . 2]" 1
1437 1 76 THR H 1 83 TYR HA . . 4.700 4.667 4.591 4.713 0.013 13 0 "[ . 1 . 2]" 1
1438 1 76 THR H 1 83 TYR QB . . 4.480 3.922 3.683 4.115 . 0 0 "[ . 1 . 2]" 1
1439 1 76 THR H 1 83 TYR QD . . 5.340 4.977 4.366 5.225 . 0 0 "[ . 1 . 2]" 1
1440 1 76 THR H 1 84 GLN H . . 3.550 2.742 2.530 2.954 . 0 0 "[ . 1 . 2]" 1
1441 1 76 THR H 1 84 GLN HA . . 4.780 4.510 4.335 4.612 . 0 0 "[ . 1 . 2]" 1
1442 1 76 THR H 1 84 GLN QB . . 3.680 3.570 3.313 3.683 0.003 19 0 "[ . 1 . 2]" 1
1443 1 76 THR H 1 84 GLN QG . . 4.940 4.657 4.409 4.857 . 0 0 "[ . 1 . 2]" 1
1444 1 76 THR H 1 85 VAL HA . . 3.830 3.154 2.934 3.384 . 0 0 "[ . 1 . 2]" 1
1445 1 76 THR H 1 85 VAL MG2 . . 4.320 3.187 2.980 3.443 . 0 0 "[ . 1 . 2]" 1
1446 1 76 THR H 1 86 GLU H . . 5.110 4.679 4.500 5.023 . 0 0 "[ . 1 . 2]" 1
1447 1 76 THR HA 1 76 THR MG . . 3.280 2.387 2.307 2.463 . 0 0 "[ . 1 . 2]" 1
1448 1 76 THR HA 1 77 ASP H . . 2.790 2.151 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
1449 1 76 THR HB 1 77 ASP H . . 4.470 4.328 4.143 4.414 . 0 0 "[ . 1 . 2]" 1
1450 1 76 THR HB 1 84 GLN H . . 3.680 3.582 3.377 3.676 . 0 0 "[ . 1 . 2]" 1
1451 1 76 THR HB 1 84 GLN QB . . 3.400 2.289 2.044 2.728 . 0 0 "[ . 1 . 2]" 1
1452 1 76 THR MG 1 77 ASP H . . 3.360 2.919 2.566 3.173 . 0 0 "[ . 1 . 2]" 1
1453 1 76 THR MG 1 78 ASN H . . 4.470 4.311 3.800 4.470 . 2 0 "[ . 1 . 2]" 1
1454 1 76 THR MG 1 78 ASN HA . . 3.930 3.840 3.555 3.929 . 0 0 "[ . 1 . 2]" 1
1455 1 76 THR MG 1 84 GLN QB . . 3.820 3.227 2.849 3.769 . 0 0 "[ . 1 . 2]" 1
1456 1 77 ASP H 1 77 ASP HB2 . . 3.660 3.265 2.569 3.657 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ASP H 1 77 ASP QB . . 2.980 2.548 2.236 2.869 . 0 0 "[ . 1 . 2]" 1
1458 1 77 ASP H 1 77 ASP HB3 . . 3.660 2.737 2.312 3.618 . 0 0 "[ . 1 . 2]" 1
1459 1 77 ASP H 1 78 ASN H . . 4.860 4.481 4.313 4.535 . 0 0 "[ . 1 . 2]" 1
1460 1 77 ASP H 1 83 TYR QD . . 4.860 4.512 3.875 4.836 . 0 0 "[ . 1 . 2]" 1
1461 1 77 ASP HA 1 78 ASN H . . 2.950 2.152 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
1462 1 77 ASP HA 1 79 ALA H . . 3.950 3.532 3.273 3.668 . 0 0 "[ . 1 . 2]" 1
1463 1 77 ASP HA 1 83 TYR H . . 5.500 5.238 4.895 5.491 . 0 0 "[ . 1 . 2]" 1
1464 1 77 ASP HA 1 83 TYR HA . . 4.580 2.451 2.102 2.698 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ASP HA 1 83 TYR QD . . 4.220 3.137 2.615 3.440 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ASP QB 1 78 ASN H . . 4.340 3.411 3.094 3.857 . 0 0 "[ . 1 . 2]" 1
1467 1 77 ASP QB 1 79 ALA H . . 4.090 2.829 2.372 3.484 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ASP QB 1 83 TYR QD . . 4.680 2.688 2.115 3.434 . 0 0 "[ . 1 . 2]" 1
1469 1 78 ASN H 1 78 ASN HB2 . . 3.360 2.416 2.344 2.525 . 0 0 "[ . 1 . 2]" 1
1470 1 78 ASN H 1 78 ASN HB3 . . 3.770 3.605 3.580 3.620 . 0 0 "[ . 1 . 2]" 1
1471 1 78 ASN H 1 78 ASN HD22 . . 4.440 3.658 3.453 3.798 . 0 0 "[ . 1 . 2]" 1
1472 1 78 ASN H 1 79 ALA H . . 3.400 2.667 2.491 2.807 . 0 0 "[ . 1 . 2]" 1
1473 1 78 ASN H 1 79 ALA HA . . 5.020 4.762 4.685 4.821 . 0 0 "[ . 1 . 2]" 1
1474 1 78 ASN H 1 79 ALA MB . . 4.990 4.822 4.715 4.897 . 0 0 "[ . 1 . 2]" 1
1475 1 78 ASN H 1 80 ASP H . . 4.270 3.728 3.622 3.960 . 0 0 "[ . 1 . 2]" 1
1476 1 78 ASN H 1 83 TYR HA . . 3.600 3.139 2.854 3.345 . 0 0 "[ . 1 . 2]" 1
1477 1 78 ASN H 1 83 TYR QD . . 5.200 4.805 4.308 5.073 . 0 0 "[ . 1 . 2]" 1
1478 1 78 ASN H 1 84 GLN H . . 4.590 4.329 4.102 4.572 . 0 0 "[ . 1 . 2]" 1
1479 1 78 ASN HA 1 78 ASN HD21 . . 4.740 3.933 3.737 4.163 . 0 0 "[ . 1 . 2]" 1
1480 1 78 ASN HA 1 78 ASN HD22 . . 4.960 4.364 4.224 4.544 . 0 0 "[ . 1 . 2]" 1
1481 1 78 ASN HA 1 80 ASP H . . 4.650 4.436 4.273 4.620 . 0 0 "[ . 1 . 2]" 1
1482 1 78 ASN HB2 1 78 ASN HD22 . . 3.750 3.466 3.444 3.495 . 0 0 "[ . 1 . 2]" 1
1483 1 78 ASN HB2 1 79 ALA H . . 4.260 3.760 3.455 3.957 . 0 0 "[ . 1 . 2]" 1
1484 1 78 ASN HB2 1 80 ASP H . . 4.050 3.113 2.753 3.304 . 0 0 "[ . 1 . 2]" 1
1485 1 78 ASN HB2 1 82 THR H . . 4.410 3.532 3.271 3.711 . 0 0 "[ . 1 . 2]" 1
1486 1 78 ASN HB3 1 78 ASN HD22 . . 4.080 4.033 3.997 4.063 . 0 0 "[ . 1 . 2]" 1
1487 1 78 ASN HB3 1 79 ALA H . . 4.400 4.335 4.167 4.414 0.014 15 0 "[ . 1 . 2]" 1
1488 1 78 ASN HB3 1 80 ASP H . . 4.280 3.870 3.601 4.168 . 0 0 "[ . 1 . 2]" 1
1489 1 78 ASN HB3 1 82 THR H . . 5.500 5.071 4.845 5.291 . 0 0 "[ . 1 . 2]" 1
1490 1 78 ASN HD21 1 79 ALA H . . 5.080 4.877 4.593 5.078 . 0 0 "[ . 1 . 2]" 1
1491 1 78 ASN HD21 1 82 THR H . . 4.760 4.240 3.751 4.703 . 0 0 "[ . 1 . 2]" 1
1492 1 78 ASN HD21 1 82 THR HB . . 4.690 4.136 3.534 4.587 . 0 0 "[ . 1 . 2]" 1
1493 1 78 ASN HD21 1 82 THR MG . . 5.140 4.832 4.416 5.138 . 0 0 "[ . 1 . 2]" 1
1494 1 78 ASN HD21 1 83 TYR HA . . 5.070 3.303 2.992 3.750 . 0 0 "[ . 1 . 2]" 1
1495 1 78 ASN HD21 1 84 GLN QB . . 4.380 3.246 2.898 3.441 . 0 0 "[ . 1 . 2]" 1
1496 1 78 ASN HD21 1 84 GLN QG . . 5.500 5.306 4.980 5.507 0.007 15 0 "[ . 1 . 2]" 1
1497 1 78 ASN HD22 1 82 THR HB . . 5.500 5.102 4.449 5.491 . 0 0 "[ . 1 . 2]" 1
1498 1 78 ASN HD22 1 83 TYR HA . . 4.870 4.209 3.722 4.597 . 0 0 "[ . 1 . 2]" 1
1499 1 78 ASN HD22 1 84 GLN H . . 4.660 4.000 3.690 4.383 . 0 0 "[ . 1 . 2]" 1
1500 1 78 ASN HD22 1 84 GLN QB . . 4.110 2.085 1.873 2.520 . 0 0 "[ . 1 . 2]" 1
1501 1 78 ASN HD22 1 84 GLN QG . . 4.640 3.938 3.658 4.443 . 0 0 "[ . 1 . 2]" 1
1502 1 79 ALA H 1 79 ALA HA . . 2.810 2.290 2.276 2.301 . 0 0 "[ . 1 . 2]" 1
1503 1 79 ALA H 1 79 ALA MB . . 3.230 2.765 2.699 2.899 . 0 0 "[ . 1 . 2]" 1
1504 1 79 ALA H 1 80 ASP H . . 3.520 2.833 2.624 2.916 . 0 0 "[ . 1 . 2]" 1
1505 1 79 ALA H 1 81 GLY H . . 4.380 4.154 3.879 4.286 . 0 0 "[ . 1 . 2]" 1
1506 1 79 ALA H 1 83 TYR HA . . 5.500 5.310 4.826 5.517 0.017 13 0 "[ . 1 . 2]" 1
1507 1 79 ALA HA 1 81 GLY H . . 4.570 3.930 3.370 4.230 . 0 0 "[ . 1 . 2]" 1
1508 1 79 ALA MB 1 80 ASP H . . 4.110 3.634 3.593 3.674 . 0 0 "[ . 1 . 2]" 1
1509 1 80 ASP H 1 80 ASP HB2 . . 4.090 3.000 2.468 3.819 . 0 0 "[ . 1 . 2]" 1
1510 1 80 ASP H 1 80 ASP HB3 . . 4.090 2.818 2.593 3.639 . 0 0 "[ . 1 . 2]" 1
1511 1 80 ASP H 1 81 GLY H . . 3.030 1.926 1.803 2.317 . 0 0 "[ . 1 . 2]" 1
1512 1 80 ASP H 1 81 GLY HA2 . . 4.580 4.315 4.218 4.576 . 0 0 "[ . 1 . 2]" 1
1513 1 80 ASP H 1 81 GLY HA3 . . 4.950 4.636 4.577 4.772 . 0 0 "[ . 1 . 2]" 1
1514 1 80 ASP H 1 82 THR H . . 3.680 3.090 2.672 3.364 . 0 0 "[ . 1 . 2]" 1
1515 1 80 ASP HA 1 82 THR H . . 4.970 4.854 4.421 4.975 0.005 1 0 "[ . 1 . 2]" 1
1516 1 80 ASP QB 1 81 GLY H . . 4.300 3.077 2.757 3.740 . 0 0 "[ . 1 . 2]" 1
1517 1 80 ASP QB 1 82 THR H . . 4.540 3.273 3.034 4.138 . 0 0 "[ . 1 . 2]" 1
1518 1 80 ASP HB2 1 81 GLY H . . 5.000 4.035 2.925 4.445 . 0 0 "[ . 1 . 2]" 1
1519 1 80 ASP HB2 1 82 THR H . . 5.230 4.660 3.343 4.929 . 0 0 "[ . 1 . 2]" 1
1520 1 80 ASP HB3 1 81 GLY H . . 5.000 3.239 2.813 4.024 . 0 0 "[ . 1 . 2]" 1
1521 1 80 ASP HB3 1 82 THR H . . 5.230 3.395 3.074 4.604 . 0 0 "[ . 1 . 2]" 1
1522 1 81 GLY H 1 82 THR H . . 3.360 1.981 1.798 2.424 . 0 0 "[ . 1 . 2]" 1
1523 1 81 GLY H 1 82 THR MG . . 4.960 4.337 4.020 4.803 . 0 0 "[ . 1 . 2]" 1
1524 1 82 THR H 1 82 THR MG . . 3.580 2.923 2.505 3.457 . 0 0 "[ . 1 . 2]" 1
1525 1 82 THR H 1 83 TYR H . . 4.960 4.472 4.387 4.530 . 0 0 "[ . 1 . 2]" 1
1526 1 82 THR HA 1 82 THR MG . . 3.630 2.327 2.102 2.455 . 0 0 "[ . 1 . 2]" 1
1527 1 82 THR HA 1 83 TYR H . . 3.060 2.414 2.328 2.515 . 0 0 "[ . 1 . 2]" 1
1528 1 82 THR HA 1 83 TYR QD . . 5.400 3.272 2.969 3.576 . 0 0 "[ . 1 . 2]" 1
1529 1 82 THR HB 1 83 TYR H . . 3.350 2.373 2.139 2.571 . 0 0 "[ . 1 . 2]" 1
1530 1 82 THR MG 1 83 TYR H . . 3.830 3.674 3.382 3.831 0.001 14 0 "[ . 1 . 2]" 1
1531 1 83 TYR H 1 83 TYR HB2 . . 3.910 2.721 2.620 2.884 . 0 0 "[ . 1 . 2]" 1
1532 1 83 TYR H 1 83 TYR QB . . 3.400 2.664 2.573 2.811 . 0 0 "[ . 1 . 2]" 1
1533 1 83 TYR H 1 83 TYR HB3 . . 3.910 3.795 3.757 3.884 . 0 0 "[ . 1 . 2]" 1
1534 1 83 TYR H 1 83 TYR QD . . 3.490 2.605 2.321 2.902 . 0 0 "[ . 1 . 2]" 1
1535 1 83 TYR H 1 84 GLN H . . 4.620 4.473 4.423 4.514 . 0 0 "[ . 1 . 2]" 1
1536 1 83 TYR HA 1 83 TYR QD . . 4.500 3.020 2.870 3.155 . 0 0 "[ . 1 . 2]" 1
1537 1 83 TYR HA 1 84 GLN H . . 2.920 2.303 2.208 2.417 . 0 0 "[ . 1 . 2]" 1
1538 1 83 TYR HA 1 84 GLN QB . . 4.440 3.934 3.895 3.988 . 0 0 "[ . 1 . 2]" 1
1539 1 83 TYR QB 1 84 GLN H . . 3.390 2.654 2.369 2.913 . 0 0 "[ . 1 . 2]" 1
1540 1 83 TYR QB 1 85 VAL H . . 5.340 4.509 4.362 4.730 . 0 0 "[ . 1 . 2]" 1
1541 1 83 TYR HB2 1 84 GLN H . . 4.070 3.702 3.447 3.915 . 0 0 "[ . 1 . 2]" 1
1542 1 83 TYR HB3 1 84 GLN H . . 4.070 2.720 2.404 3.005 . 0 0 "[ . 1 . 2]" 1
1543 1 83 TYR QD 1 84 GLN H . . 4.560 4.102 3.813 4.272 . 0 0 "[ . 1 . 2]" 1
1544 1 84 GLN H 1 84 GLN QB . . 3.060 2.599 2.521 2.708 . 0 0 "[ . 1 . 2]" 1
1545 1 84 GLN H 1 84 GLN QG . . 4.180 4.166 4.075 4.207 0.027 2 0 "[ . 1 . 2]" 1
1546 1 84 GLN HA 1 84 GLN HE21 . . 5.500 3.427 3.129 3.795 . 0 0 "[ . 1 . 2]" 1
1547 1 84 GLN HA 1 84 GLN QE . . 4.660 3.267 3.011 3.703 . 0 0 "[ . 1 . 2]" 1
1548 1 84 GLN HA 1 84 GLN HE22 . . 5.500 4.132 3.892 5.165 . 0 0 "[ . 1 . 2]" 1
1549 1 84 GLN HA 1 84 GLN QG . . 3.620 2.593 2.414 2.687 . 0 0 "[ . 1 . 2]" 1
1550 1 84 GLN HA 1 85 VAL H . . 2.830 2.154 2.139 2.171 . 0 0 "[ . 1 . 2]" 1
1551 1 84 GLN QB 1 84 GLN HE21 . . 4.240 3.805 3.207 3.918 . 0 0 "[ . 1 . 2]" 1
1552 1 84 GLN QB 1 84 GLN QE . . 3.650 3.520 3.031 3.609 . 0 0 "[ . 1 . 2]" 1
1553 1 84 GLN QB 1 84 GLN HE22 . . 4.240 4.148 3.732 4.226 . 0 0 "[ . 1 . 2]" 1
1554 1 84 GLN QB 1 85 VAL H . . 3.990 3.905 3.841 3.944 . 0 0 "[ . 1 . 2]" 1
1555 1 84 GLN QG 1 85 VAL H . . 3.350 3.147 2.852 3.320 . 0 0 "[ . 1 . 2]" 1
1556 1 84 GLN QG 1 86 GLU H . . 5.050 4.551 4.216 4.831 . 0 0 "[ . 1 . 2]" 1
1557 1 85 VAL H 1 85 VAL HB . . 3.340 2.565 2.518 2.648 . 0 0 "[ . 1 . 2]" 1
1558 1 85 VAL H 1 85 VAL MG1 . . 3.830 3.819 3.797 3.860 0.030 18 0 "[ . 1 . 2]" 1
1559 1 85 VAL H 1 85 VAL MG2 . . 3.250 2.614 2.433 2.722 . 0 0 "[ . 1 . 2]" 1
1560 1 85 VAL H 1 86 GLU H . . 4.660 4.401 4.290 4.453 . 0 0 "[ . 1 . 2]" 1
1561 1 85 VAL HA 1 85 VAL MG1 . . 3.660 2.354 2.270 2.449 . 0 0 "[ . 1 . 2]" 1
1562 1 85 VAL HA 1 85 VAL MG2 . . 3.720 2.324 2.278 2.417 . 0 0 "[ . 1 . 2]" 1
1563 1 85 VAL HA 1 86 GLU H . . 2.850 2.147 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
1564 1 85 VAL HA 1 86 GLU QB . . 5.000 4.069 4.044 4.119 . 0 0 "[ . 1 . 2]" 1
1565 1 85 VAL HB 1 86 GLU H . . 4.440 4.216 4.141 4.327 . 0 0 "[ . 1 . 2]" 1
1566 1 85 VAL MG1 1 86 GLU H . . 3.330 2.588 2.368 2.969 . 0 0 "[ . 1 . 2]" 1
1567 1 85 VAL MG2 1 86 GLU H . . 4.150 4.055 4.001 4.135 . 0 0 "[ . 1 . 2]" 1
1568 1 86 GLU H 1 86 GLU QB . . 3.150 2.439 2.393 2.479 . 0 0 "[ . 1 . 2]" 1
1569 1 86 GLU H 1 86 GLU HG2 . . 4.520 4.395 4.307 4.453 . 0 0 "[ . 1 . 2]" 1
1570 1 86 GLU H 1 86 GLU HG3 . . 4.830 4.749 4.656 4.827 . 0 0 "[ . 1 . 2]" 1
1571 1 86 GLU H 1 87 TYR H . . 4.710 4.441 4.414 4.476 . 0 0 "[ . 1 . 2]" 1
1572 1 86 GLU HA 1 86 GLU HG2 . . 4.220 2.904 2.752 3.158 . 0 0 "[ . 1 . 2]" 1
1573 1 86 GLU HA 1 86 GLU HG3 . . 4.240 2.774 2.525 2.891 . 0 0 "[ . 1 . 2]" 1
1574 1 86 GLU HA 1 87 TYR H . . 2.790 2.183 2.173 2.190 . 0 0 "[ . 1 . 2]" 1
1575 1 86 GLU QB 1 87 TYR H . . 3.680 3.657 3.637 3.679 . 0 0 "[ . 1 . 2]" 1
1576 1 86 GLU HG2 1 87 TYR H . . 3.860 2.569 2.378 2.946 . 0 0 "[ . 1 . 2]" 1
1577 1 86 GLU HG3 1 87 TYR H . . 3.830 3.246 2.901 3.440 . 0 0 "[ . 1 . 2]" 1
1578 1 87 TYR H 1 87 TYR HB2 . . 4.190 3.962 3.945 3.973 . 0 0 "[ . 1 . 2]" 1
1579 1 87 TYR H 1 87 TYR QD . . 3.600 3.100 2.917 3.232 . 0 0 "[ . 1 . 2]" 1
1580 1 87 TYR H 1 87 TYR QE . . 4.740 4.546 4.417 4.658 . 0 0 "[ . 1 . 2]" 1
1581 1 87 TYR H 1 88 THR H . . 4.500 4.357 4.330 4.385 . 0 0 "[ . 1 . 2]" 1
1582 1 87 TYR H 1 88 THR HA . . 4.950 4.686 4.663 4.718 . 0 0 "[ . 1 . 2]" 1
1583 1 87 TYR HA 1 87 TYR QD . . 4.560 3.711 3.679 3.734 . 0 0 "[ . 1 . 2]" 1
1584 1 87 TYR HA 1 88 THR H . . 2.910 2.292 2.250 2.334 . 0 0 "[ . 1 . 2]" 1
1585 1 87 TYR HB2 1 88 THR H . . 3.420 2.756 2.637 2.865 . 0 0 "[ . 1 . 2]" 1
1586 1 87 TYR HB3 1 88 THR H . . 4.100 4.023 3.946 4.099 . 0 0 "[ . 1 . 2]" 1
1587 1 87 TYR QD 1 87 TYR HH . . 4.320 4.251 4.242 4.283 . 0 0 "[ . 1 . 2]" 1
1588 1 87 TYR QD 1 88 THR H . . 3.860 3.235 3.008 3.522 . 0 0 "[ . 1 . 2]" 1
1589 1 87 TYR QD 1 89 PRO HB3 . . 4.770 3.415 3.295 3.527 . 0 0 "[ . 1 . 2]" 1
1590 1 87 TYR QD 1 89 PRO HD2 . . 4.440 3.671 3.581 3.920 . 0 0 "[ . 1 . 2]" 1
1591 1 87 TYR QD 1 89 PRO HD3 . . 4.080 2.084 1.996 2.395 . 0 0 "[ . 1 . 2]" 1
1592 1 87 TYR QD 1 89 PRO HG2 . . 4.990 4.759 4.667 4.944 . 0 0 "[ . 1 . 2]" 1
1593 1 87 TYR QD 1 89 PRO HG3 . . 4.660 3.880 3.678 4.118 . 0 0 "[ . 1 . 2]" 1
1594 1 87 TYR QE 1 87 TYR HH . . 3.300 2.229 2.196 2.349 . 0 0 "[ . 1 . 2]" 1
1595 1 87 TYR QE 1 89 PRO HB3 . . 4.400 2.569 2.260 2.871 . 0 0 "[ . 1 . 2]" 1
1596 1 87 TYR QE 1 89 PRO HD2 . . 5.460 3.809 3.621 4.025 . 0 0 "[ . 1 . 2]" 1
1597 1 87 TYR QE 1 89 PRO HD3 . . 4.650 2.252 2.067 2.486 . 0 0 "[ . 1 . 2]" 1
1598 1 87 TYR QE 1 89 PRO HG2 . . 4.530 3.941 3.776 4.121 . 0 0 "[ . 1 . 2]" 1
1599 1 87 TYR QE 1 89 PRO HG3 . . 4.030 2.364 2.233 2.616 . 0 0 "[ . 1 . 2]" 1
1600 1 87 TYR QE 1 113 VAL MG1 . . 4.480 3.596 3.396 3.792 . 0 0 "[ . 1 . 2]" 1
1601 1 87 TYR QE 1 113 VAL MG2 . . 4.460 3.633 3.479 3.865 . 0 0 "[ . 1 . 2]" 1
1602 1 87 TYR HH 1 113 VAL MG1 . . 3.330 2.546 2.249 2.847 . 0 0 "[ . 1 . 2]" 1
1603 1 87 TYR HH 1 113 VAL MG2 . . 3.710 2.335 1.986 2.867 . 0 0 "[ . 1 . 2]" 1
1604 1 88 THR H 1 88 THR HB . . 3.170 2.809 2.752 2.894 . 0 0 "[ . 1 . 2]" 1
1605 1 88 THR H 1 88 THR MG . . 4.460 3.915 3.893 3.937 . 0 0 "[ . 1 . 2]" 1
1606 1 88 THR H 1 89 PRO HA . . 5.080 4.817 4.756 4.877 . 0 0 "[ . 1 . 2]" 1
1607 1 88 THR H 1 89 PRO HD2 . . 5.210 4.531 4.495 4.568 . 0 0 "[ . 1 . 2]" 1
1608 1 88 THR H 1 89 PRO HD3 . . 4.330 4.051 3.986 4.116 . 0 0 "[ . 1 . 2]" 1
1609 1 88 THR HA 1 88 THR MG . . 3.600 2.324 2.270 2.349 . 0 0 "[ . 1 . 2]" 1
1610 1 88 THR MG 1 89 PRO HD2 . . 4.140 2.867 2.793 2.971 . 0 0 "[ . 1 . 2]" 1
1611 1 88 THR MG 1 89 PRO HD3 . . 4.280 4.043 3.983 4.111 . 0 0 "[ . 1 . 2]" 1
1612 1 89 PRO HA 1 91 GLU H . . 3.790 3.682 3.514 3.803 0.013 13 0 "[ . 1 . 2]" 1
1613 1 89 PRO HB2 1 90 PHE H . . 4.280 3.578 3.250 3.723 . 0 0 "[ . 1 . 2]" 1
1614 1 89 PRO HB2 1 91 GLU H . . 3.690 2.671 2.549 2.791 . 0 0 "[ . 1 . 2]" 1
1615 1 89 PRO HB2 1 115 VAL MG1 . . 4.270 3.707 3.072 4.053 . 0 0 "[ . 1 . 2]" 1
1616 1 89 PRO HB2 1 115 VAL MG2 . . 4.220 3.007 2.658 3.274 . 0 0 "[ . 1 . 2]" 1
1617 1 89 PRO HB3 1 90 PHE H . . 4.200 4.032 3.816 4.132 . 0 0 "[ . 1 . 2]" 1
1618 1 89 PRO HB3 1 91 GLU H . . 4.280 4.117 3.990 4.269 . 0 0 "[ . 1 . 2]" 1
1619 1 89 PRO HB3 1 95 HIS HD2 . . 5.100 3.119 2.815 3.316 . 0 0 "[ . 1 . 2]" 1
1620 1 89 PRO HB3 1 95 HIS HE1 . . 4.740 4.727 4.647 4.765 0.025 14 0 "[ . 1 . 2]" 1
1621 1 89 PRO HB3 1 115 VAL MG2 . . 3.870 3.400 2.932 3.670 . 0 0 "[ . 1 . 2]" 1
1622 1 89 PRO HG2 1 115 VAL MG1 . . 4.420 3.399 3.001 3.700 . 0 0 "[ . 1 . 2]" 1
1623 1 89 PRO HG2 1 115 VAL MG2 . . 4.290 3.127 2.857 3.414 . 0 0 "[ . 1 . 2]" 1
1624 1 89 PRO HG3 1 95 HIS HE2 . . 5.420 3.381 3.165 3.669 . 0 0 "[ . 1 . 2]" 1
1625 1 89 PRO HG3 1 115 VAL MG1 . . 3.990 3.787 3.405 4.011 0.021 18 0 "[ . 1 . 2]" 1
1626 1 89 PRO HG3 1 115 VAL MG2 . . 3.920 2.606 2.217 2.967 . 0 0 "[ . 1 . 2]" 1
1627 1 90 PHE H 1 90 PHE QD . . 3.880 2.807 2.694 2.928 . 0 0 "[ . 1 . 2]" 1
1628 1 90 PHE H 1 91 GLU H . . 3.040 2.745 2.421 2.988 . 0 0 "[ . 1 . 2]" 1
1629 1 90 PHE H 1 91 GLU HB2 . . 4.720 3.996 3.886 4.095 . 0 0 "[ . 1 . 2]" 1
1630 1 90 PHE H 1 91 GLU QG . . 5.240 4.347 4.075 4.504 . 0 0 "[ . 1 . 2]" 1
1631 1 90 PHE QB 1 91 GLU H . . 4.160 3.985 3.899 4.019 . 0 0 "[ . 1 . 2]" 1
1632 1 90 PHE HB2 1 91 GLU H . . 4.740 4.342 4.218 4.392 . 0 0 "[ . 1 . 2]" 1
1633 1 90 PHE HB3 1 91 GLU H . . 4.740 4.639 4.587 4.659 . 0 0 "[ . 1 . 2]" 1
1634 1 90 PHE QD 1 91 GLU H . . 4.370 4.077 3.607 4.367 . 0 0 "[ . 1 . 2]" 1
1635 1 90 PHE QD 1 91 GLU HG2 . . 4.740 3.072 2.124 3.951 . 0 0 "[ . 1 . 2]" 1
1636 1 90 PHE QD 1 91 GLU HG3 . . 4.740 2.626 2.033 3.550 . 0 0 "[ . 1 . 2]" 1
1637 1 90 PHE QE 1 91 GLU QG . . 5.150 3.419 3.167 3.728 . 0 0 "[ . 1 . 2]" 1
1638 1 91 GLU H 1 91 GLU HB2 . . 3.650 2.804 2.609 2.938 . 0 0 "[ . 1 . 2]" 1
1639 1 91 GLU H 1 91 GLU HB3 . . 4.050 3.782 3.683 3.870 . 0 0 "[ . 1 . 2]" 1
1640 1 91 GLU H 1 91 GLU QG . . 4.150 3.644 3.511 3.820 . 0 0 "[ . 1 . 2]" 1
1641 1 91 GLU H 1 92 LYS H . . 4.330 4.169 4.042 4.282 . 0 0 "[ . 1 . 2]" 1
1642 1 91 GLU H 1 92 LYS QG . . 5.500 4.926 4.518 5.498 . 0 0 "[ . 1 . 2]" 1
1643 1 91 GLU H 1 95 HIS HE1 . . 4.600 4.403 4.203 4.583 . 0 0 "[ . 1 . 2]" 1
1644 1 91 GLU H 1 115 VAL MG1 . . 4.960 4.594 3.995 4.925 . 0 0 "[ . 1 . 2]" 1
1645 1 91 GLU HA 1 92 LYS H . . 2.870 2.160 2.147 2.215 . 0 0 "[ . 1 . 2]" 1
1646 1 91 GLU HB2 1 92 LYS H . . 4.670 4.344 4.157 4.393 . 0 0 "[ . 1 . 2]" 1
1647 1 91 GLU HB2 1 95 HIS HE1 . . 4.740 3.701 3.393 3.987 . 0 0 "[ . 1 . 2]" 1
1648 1 91 GLU HB3 1 92 LYS H . . 3.370 3.296 2.992 3.386 0.016 14 0 "[ . 1 . 2]" 1
1649 1 91 GLU HB3 1 93 GLY H . . 5.500 4.647 4.327 5.077 . 0 0 "[ . 1 . 2]" 1
1650 1 91 GLU HB3 1 95 HIS HE1 . . 5.500 3.545 3.250 4.012 . 0 0 "[ . 1 . 2]" 1
1651 1 91 GLU QG 1 92 LYS H . . 4.370 3.955 3.658 4.366 . 0 0 "[ . 1 . 2]" 1
1652 1 92 LYS H 1 92 LYS HB2 . . 3.780 2.822 2.170 3.583 . 0 0 "[ . 1 . 2]" 1
1653 1 92 LYS H 1 92 LYS QB . . 3.070 2.574 2.149 2.894 . 0 0 "[ . 1 . 2]" 1
1654 1 92 LYS H 1 92 LYS HB3 . . 3.780 3.421 2.893 3.640 . 0 0 "[ . 1 . 2]" 1
1655 1 92 LYS H 1 92 LYS QG . . 3.220 2.181 1.843 3.071 . 0 0 "[ . 1 . 2]" 1
1656 1 92 LYS H 1 93 GLY H . . 4.500 4.250 4.131 4.418 . 0 0 "[ . 1 . 2]" 1
1657 1 92 LYS H 1 95 HIS HE1 . . 5.020 4.908 4.787 5.016 . 0 0 "[ . 1 . 2]" 1
1658 1 92 LYS H 1 115 VAL MG1 . . 4.660 4.585 4.372 4.679 0.019 13 0 "[ . 1 . 2]" 1
1659 1 92 LYS HA 1 92 LYS QD . . 4.710 4.150 3.935 4.421 . 0 0 "[ . 1 . 2]" 1
1660 1 92 LYS HA 1 93 GLY H . . 2.930 2.192 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
1661 1 92 LYS HA 1 95 HIS HE1 . . 4.560 3.911 3.689 4.064 . 0 0 "[ . 1 . 2]" 1
1662 1 92 LYS HA 1 95 HIS HE2 . . 5.250 4.503 4.246 4.675 . 0 0 "[ . 1 . 2]" 1
1663 1 92 LYS HA 1 115 VAL HB . . 3.650 2.653 2.307 2.976 . 0 0 "[ . 1 . 2]" 1
1664 1 92 LYS HA 1 115 VAL MG1 . . 3.410 2.311 1.992 2.518 . 0 0 "[ . 1 . 2]" 1
1665 1 92 LYS HA 1 115 VAL MG2 . . 4.540 3.784 3.271 4.224 . 0 0 "[ . 1 . 2]" 1
1666 1 92 LYS QB 1 92 LYS QD . . 3.390 2.176 2.079 2.324 . 0 0 "[ . 1 . 2]" 1
1667 1 92 LYS QB 1 93 GLY H . . 3.700 3.609 3.431 3.711 0.011 12 0 "[ . 1 . 2]" 1
1668 1 92 LYS QB 1 115 VAL MG1 . . 4.210 3.178 2.681 3.768 . 0 0 "[ . 1 . 2]" 1
1669 1 92 LYS HB2 1 93 GLY H . . 4.490 4.266 3.907 4.522 0.032 16 0 "[ . 1 . 2]" 1
1670 1 92 LYS HB3 1 93 GLY H . . 4.490 3.975 3.615 4.452 . 0 0 "[ . 1 . 2]" 1
1671 1 92 LYS QD 1 117 GLU H . . 4.390 3.843 3.018 4.381 . 0 0 "[ . 1 . 2]" 1
1672 1 92 LYS QD 1 117 GLU HB2 . . 4.560 4.027 3.173 4.538 . 0 0 "[ . 1 . 2]" 1
1673 1 92 LYS QD 1 117 GLU QB . . 3.980 3.347 1.836 3.917 . 0 0 "[ . 1 . 2]" 1
1674 1 92 LYS QD 1 117 GLU HB3 . . 4.560 3.681 1.848 4.545 . 0 0 "[ . 1 . 2]" 1
1675 1 92 LYS QD 1 117 GLU QG . . 3.760 2.045 1.745 3.735 . 0 0 "[ . 1 . 2]" 1
1676 1 92 LYS QG 1 93 GLY H . . 4.630 4.390 3.834 4.522 . 0 0 "[ . 1 . 2]" 1
1677 1 92 LYS QG 1 115 VAL MG1 . . 4.710 3.353 2.285 4.549 . 0 0 "[ . 1 . 2]" 1
1678 1 92 LYS QG 1 117 GLU QG . . 4.590 3.656 3.315 3.939 . 0 0 "[ . 1 . 2]" 1
1679 1 93 GLY H 1 94 LEU H . . 4.430 4.375 4.342 4.393 . 0 0 "[ . 1 . 2]" 1
1680 1 93 GLY H 1 95 HIS HE1 . . 4.250 2.516 2.205 2.756 . 0 0 "[ . 1 . 2]" 1
1681 1 93 GLY H 1 95 HIS HE2 . . 4.670 3.685 3.457 3.912 . 0 0 "[ . 1 . 2]" 1
1682 1 93 GLY H 1 115 VAL H . . 3.520 3.359 3.180 3.504 . 0 0 "[ . 1 . 2]" 1
1683 1 93 GLY H 1 115 VAL HB . . 3.320 1.910 1.882 1.980 . 0 0 "[ . 1 . 2]" 1
1684 1 93 GLY H 1 115 VAL MG1 . . 3.770 3.180 2.922 3.365 . 0 0 "[ . 1 . 2]" 1
1685 1 93 GLY H 1 115 VAL MG2 . . 4.030 3.172 2.708 3.531 . 0 0 "[ . 1 . 2]" 1
1686 1 93 GLY QA 1 95 HIS HE2 . . 5.340 5.188 5.094 5.316 . 0 0 "[ . 1 . 2]" 1
1687 1 93 GLY QA 1 115 VAL H . . 4.240 3.848 3.629 4.154 . 0 0 "[ . 1 . 2]" 1
1688 1 93 GLY HA2 1 94 LEU H . . 3.130 2.628 2.532 2.746 . 0 0 "[ . 1 . 2]" 1
1689 1 93 GLY HA3 1 94 LEU H . . 3.130 2.501 2.395 2.596 . 0 0 "[ . 1 . 2]" 1
1690 1 94 LEU H 1 94 LEU HB2 . . 3.180 2.975 2.842 3.061 . 0 0 "[ . 1 . 2]" 1
1691 1 94 LEU H 1 94 LEU HB3 . . 3.180 2.297 2.254 2.340 . 0 0 "[ . 1 . 2]" 1
1692 1 94 LEU H 1 94 LEU MD1 . . 4.660 4.292 4.179 4.349 . 0 0 "[ . 1 . 2]" 1
1693 1 94 LEU H 1 94 LEU MD2 . . 4.970 4.219 4.114 4.361 . 0 0 "[ . 1 . 2]" 1
1694 1 94 LEU H 1 94 LEU HG . . 4.330 4.232 4.158 4.302 . 0 0 "[ . 1 . 2]" 1
1695 1 94 LEU H 1 95 HIS H . . 4.550 4.391 4.340 4.425 . 0 0 "[ . 1 . 2]" 1
1696 1 94 LEU HA 1 94 LEU MD1 . . 3.160 2.178 1.970 2.378 . 0 0 "[ . 1 . 2]" 1
1697 1 94 LEU HA 1 94 LEU MD2 . . 3.990 3.946 3.822 3.995 0.005 19 0 "[ . 1 . 2]" 1
1698 1 94 LEU HA 1 94 LEU HG . . 3.990 3.315 3.202 3.460 . 0 0 "[ . 1 . 2]" 1
1699 1 94 LEU HA 1 95 HIS H . . 2.830 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
1700 1 94 LEU HA 1 95 HIS HB2 . . 5.220 5.029 5.010 5.037 . 0 0 "[ . 1 . 2]" 1
1701 1 94 LEU HA 1 95 HIS HE2 . . 5.480 5.470 5.379 5.504 0.024 14 0 "[ . 1 . 2]" 1
1702 1 94 LEU HA 1 113 VAL H . . 4.550 4.166 4.023 4.306 . 0 0 "[ . 1 . 2]" 1
1703 1 94 LEU HA 1 114 ALA MB . . 4.580 3.707 3.476 3.989 . 0 0 "[ . 1 . 2]" 1
1704 1 94 LEU QB 1 94 LEU MD1 . . 2.950 2.315 2.254 2.438 . 0 0 "[ . 1 . 2]" 1
1705 1 94 LEU QB 1 95 HIS H . . 4.100 3.829 3.795 3.855 . 0 0 "[ . 1 . 2]" 1
1706 1 94 LEU HB2 1 94 LEU MD1 . . 3.430 2.378 2.305 2.533 . 0 0 "[ . 1 . 2]" 1
1707 1 94 LEU HB2 1 94 LEU MD2 . . 3.250 2.379 2.211 2.536 . 0 0 "[ . 1 . 2]" 1
1708 1 94 LEU HB2 1 95 HIS H . . 4.830 4.198 4.143 4.255 . 0 0 "[ . 1 . 2]" 1
1709 1 94 LEU HB3 1 94 LEU MD1 . . 3.430 3.188 3.176 3.195 . 0 0 "[ . 1 . 2]" 1
1710 1 94 LEU HB3 1 94 LEU MD2 . . 3.250 2.292 2.143 2.479 . 0 0 "[ . 1 . 2]" 1
1711 1 94 LEU HB3 1 95 HIS H . . 4.830 4.417 4.373 4.451 . 0 0 "[ . 1 . 2]" 1
1712 1 94 LEU MD1 1 95 HIS H . . 3.450 2.514 2.151 2.834 . 0 0 "[ . 1 . 2]" 1
1713 1 94 LEU MD1 1 95 HIS HB2 . . 5.160 4.654 4.315 4.897 . 0 0 "[ . 1 . 2]" 1
1714 1 94 LEU MD1 1 112 LYS HA . . 4.020 2.125 1.967 2.396 . 0 0 "[ . 1 . 2]" 1
1715 1 94 LEU MD1 1 112 LYS HB2 . . 3.510 3.247 3.149 3.487 . 0 0 "[ . 1 . 2]" 1
1716 1 94 LEU MD1 1 112 LYS HB3 . . 3.030 1.902 1.801 2.171 . 0 0 "[ . 1 . 2]" 1
1717 1 94 LEU MD1 1 112 LYS QD . . 4.130 3.504 3.315 3.807 . 0 0 "[ . 1 . 2]" 1
1718 1 94 LEU MD1 1 112 LYS QE . . 5.200 3.927 2.800 4.505 . 0 0 "[ . 1 . 2]" 1
1719 1 94 LEU MD1 1 112 LYS HG2 . . 3.100 2.051 1.957 2.230 . 0 0 "[ . 1 . 2]" 1
1720 1 94 LEU MD1 1 112 LYS HG3 . . 3.370 3.124 2.989 3.258 . 0 0 "[ . 1 . 2]" 1
1721 1 94 LEU MD1 1 113 VAL H . . 3.430 2.356 2.210 2.489 . 0 0 "[ . 1 . 2]" 1
1722 1 94 LEU MD1 1 114 ALA H . . 3.850 3.178 3.029 3.620 . 0 0 "[ . 1 . 2]" 1
1723 1 94 LEU MD1 1 114 ALA HA . . 4.110 2.870 2.735 3.062 . 0 0 "[ . 1 . 2]" 1
1724 1 94 LEU MD1 1 114 ALA MB . . 3.180 2.813 2.452 2.976 . 0 0 "[ . 1 . 2]" 1
1725 1 94 LEU MD2 1 112 LYS HA . . 4.760 4.096 3.945 4.323 . 0 0 "[ . 1 . 2]" 1
1726 1 94 LEU MD2 1 112 LYS QD . . 4.330 3.003 2.423 3.854 . 0 0 "[ . 1 . 2]" 1
1727 1 94 LEU MD2 1 112 LYS QE . . 4.110 3.291 1.976 4.144 0.034 7 0 "[ . 1 . 2]" 1
1728 1 94 LEU MD2 1 112 LYS HG2 . . 3.460 2.205 1.961 2.515 . 0 0 "[ . 1 . 2]" 1
1729 1 94 LEU HG 1 95 HIS H . . 4.160 3.572 3.401 3.831 . 0 0 "[ . 1 . 2]" 1
1730 1 95 HIS H 1 95 HIS HB2 . . 3.490 2.909 2.885 2.929 . 0 0 "[ . 1 . 2]" 1
1731 1 95 HIS H 1 95 HIS HB3 . . 3.760 3.698 3.688 3.715 . 0 0 "[ . 1 . 2]" 1
1732 1 95 HIS H 1 95 HIS HE1 . . 4.780 4.594 4.525 4.668 . 0 0 "[ . 1 . 2]" 1
1733 1 95 HIS H 1 95 HIS HE2 . . 4.760 4.778 4.761 4.805 0.045 5 0 "[ . 1 . 2]" 1
1734 1 95 HIS H 1 96 VAL H . . 4.550 4.545 4.536 4.551 0.001 14 0 "[ . 1 . 2]" 1
1735 1 95 HIS H 1 97 VAL MG2 . . 5.500 5.014 4.859 5.168 . 0 0 "[ . 1 . 2]" 1
1736 1 95 HIS H 1 112 LYS HA . . 4.860 4.529 4.306 4.682 . 0 0 "[ . 1 . 2]" 1
1737 1 95 HIS H 1 113 VAL H . . 3.720 3.078 2.942 3.223 . 0 0 "[ . 1 . 2]" 1
1738 1 95 HIS H 1 113 VAL HB . . 3.940 3.189 3.067 3.306 . 0 0 "[ . 1 . 2]" 1
1739 1 95 HIS H 1 115 VAL H . . 4.360 4.189 3.843 4.376 0.016 20 0 "[ . 1 . 2]" 1
1740 1 95 HIS H 1 115 VAL MG2 . . 4.330 4.012 3.706 4.232 . 0 0 "[ . 1 . 2]" 1
1741 1 95 HIS HA 1 96 VAL H . . 2.910 2.354 2.346 2.358 . 0 0 "[ . 1 . 2]" 1
1742 1 95 HIS HA 1 113 VAL H . . 5.160 4.986 4.821 5.049 . 0 0 "[ . 1 . 2]" 1
1743 1 95 HIS HB2 1 95 HIS HE2 . . 5.080 4.821 4.818 4.825 . 0 0 "[ . 1 . 2]" 1
1744 1 95 HIS HB2 1 96 VAL H . . 3.760 3.290 3.275 3.327 . 0 0 "[ . 1 . 2]" 1
1745 1 95 HIS HB2 1 113 VAL H . . 4.260 4.008 3.781 4.077 . 0 0 "[ . 1 . 2]" 1
1746 1 95 HIS HB2 1 113 VAL HB . . 4.250 3.358 3.145 3.504 . 0 0 "[ . 1 . 2]" 1
1747 1 95 HIS HB3 1 96 VAL H . . 3.580 2.763 2.749 2.783 . 0 0 "[ . 1 . 2]" 1
1748 1 95 HIS HB3 1 113 VAL H . . 5.500 5.474 5.256 5.537 0.037 14 0 "[ . 1 . 2]" 1
1749 1 95 HIS HB3 1 113 VAL HB . . 5.250 5.035 4.822 5.179 . 0 0 "[ . 1 . 2]" 1
1750 1 95 HIS HE1 1 115 VAL H . . 4.970 4.595 4.294 4.831 . 0 0 "[ . 1 . 2]" 1
1751 1 95 HIS HE1 1 115 VAL HB . . 4.130 3.611 3.082 3.898 . 0 0 "[ . 1 . 2]" 1
1752 1 95 HIS HE1 1 115 VAL MG1 . . 4.750 4.446 4.025 4.696 . 0 0 "[ . 1 . 2]" 1
1753 1 95 HIS HE1 1 115 VAL MG2 . . 4.230 3.383 3.059 3.633 . 0 0 "[ . 1 . 2]" 1
1754 1 95 HIS HE2 1 115 VAL H . . 4.540 4.509 4.254 4.552 0.012 7 0 "[ . 1 . 2]" 1
1755 1 95 HIS HE2 1 115 VAL HB . . 4.510 3.443 2.922 3.878 . 0 0 "[ . 1 . 2]" 1
1756 1 95 HIS HE2 1 115 VAL MG1 . . 5.110 3.641 3.084 4.000 . 0 0 "[ . 1 . 2]" 1
1757 1 95 HIS HE2 1 115 VAL MG2 . . 4.140 2.020 1.908 2.169 . 0 0 "[ . 1 . 2]" 1
1758 1 96 VAL H 1 96 VAL HB . . 3.080 2.541 2.447 2.574 . 0 0 "[ . 1 . 2]" 1
1759 1 96 VAL H 1 96 VAL MG1 . . 4.270 3.803 3.739 3.821 . 0 0 "[ . 1 . 2]" 1
1760 1 96 VAL H 1 96 VAL MG2 . . 3.150 2.698 2.628 2.892 . 0 0 "[ . 1 . 2]" 1
1761 1 96 VAL H 1 97 VAL H . . 4.550 4.176 4.112 4.221 . 0 0 "[ . 1 . 2]" 1
1762 1 96 VAL HA 1 96 VAL MG2 . . 3.710 2.300 2.175 2.422 . 0 0 "[ . 1 . 2]" 1
1763 1 96 VAL HA 1 97 VAL HB . . 4.800 4.631 4.591 4.674 . 0 0 "[ . 1 . 2]" 1
1764 1 96 VAL HA 1 113 VAL H . . 4.290 4.075 3.926 4.289 . 0 0 "[ . 1 . 2]" 1
1765 1 96 VAL HB 1 97 VAL H . . 4.480 4.417 4.378 4.501 0.021 19 0 "[ . 1 . 2]" 1
1766 1 96 VAL MG1 1 97 VAL H . . 3.210 3.066 2.936 3.218 0.008 14 0 "[ . 1 . 2]" 1
1767 1 96 VAL MG1 1 97 VAL HA . . 3.860 3.863 3.786 3.892 0.032 20 0 "[ . 1 . 2]" 1
1768 1 96 VAL MG1 1 98 GLU H . . 4.570 4.056 3.937 4.269 . 0 0 "[ . 1 . 2]" 1
1769 1 96 VAL MG1 1 98 GLU HG2 . . 4.210 3.631 2.775 3.960 . 0 0 "[ . 1 . 2]" 1
1770 1 96 VAL MG1 1 98 GLU QG . . 3.580 2.602 2.423 2.826 . 0 0 "[ . 1 . 2]" 1
1771 1 96 VAL MG1 1 98 GLU HG3 . . 4.210 2.895 2.455 4.189 . 0 0 "[ . 1 . 2]" 1
1772 1 96 VAL MG1 1 110 PRO HA . . 4.700 3.908 3.551 4.083 . 0 0 "[ . 1 . 2]" 1
1773 1 96 VAL MG1 1 110 PRO HB2 . . 3.370 2.037 1.803 2.296 . 0 0 "[ . 1 . 2]" 1
1774 1 96 VAL MG1 1 110 PRO HB3 . . 3.250 2.661 2.341 2.836 . 0 0 "[ . 1 . 2]" 1
1775 1 96 VAL MG1 1 111 PHE H . . 4.260 3.461 3.229 3.763 . 0 0 "[ . 1 . 2]" 1
1776 1 96 VAL MG2 1 97 VAL H . . 4.280 4.133 4.054 4.198 . 0 0 "[ . 1 . 2]" 1
1777 1 96 VAL MG2 1 112 LYS HA . . 4.200 3.873 3.687 4.108 . 0 0 "[ . 1 . 2]" 1
1778 1 96 VAL MG2 1 112 LYS HG2 . . 3.670 3.541 3.290 3.678 0.008 5 0 "[ . 1 . 2]" 1
1779 1 96 VAL MG2 1 112 LYS HG3 . . 3.650 3.419 3.169 3.651 0.001 20 0 "[ . 1 . 2]" 1
1780 1 97 VAL H 1 97 VAL HB . . 3.440 2.478 2.437 2.527 . 0 0 "[ . 1 . 2]" 1
1781 1 97 VAL H 1 97 VAL MG1 . . 4.220 3.778 3.761 3.797 . 0 0 "[ . 1 . 2]" 1
1782 1 97 VAL H 1 97 VAL MG2 . . 3.150 2.550 2.368 2.691 . 0 0 "[ . 1 . 2]" 1
1783 1 97 VAL H 1 98 GLU H . . 4.530 4.427 4.362 4.484 . 0 0 "[ . 1 . 2]" 1
1784 1 97 VAL H 1 110 PRO HA . . 5.230 5.091 4.859 5.248 0.018 14 0 "[ . 1 . 2]" 1
1785 1 97 VAL H 1 110 PRO HB2 . . 4.440 4.190 3.746 4.383 . 0 0 "[ . 1 . 2]" 1
1786 1 97 VAL H 1 110 PRO HB3 . . 5.490 5.204 4.806 5.441 . 0 0 "[ . 1 . 2]" 1
1787 1 97 VAL H 1 111 PHE H . . 3.890 3.083 2.809 3.447 . 0 0 "[ . 1 . 2]" 1
1788 1 97 VAL H 1 111 PHE HA . . 4.840 4.774 4.655 4.842 0.002 18 0 "[ . 1 . 2]" 1
1789 1 97 VAL H 1 111 PHE HB2 . . 4.530 3.174 2.996 3.328 . 0 0 "[ . 1 . 2]" 1
1790 1 97 VAL H 1 111 PHE QB . . 3.850 3.070 2.902 3.230 . 0 0 "[ . 1 . 2]" 1
1791 1 97 VAL H 1 111 PHE HB3 . . 4.530 4.087 3.884 4.361 . 0 0 "[ . 1 . 2]" 1
1792 1 97 VAL H 1 111 PHE QD . . 4.940 4.845 4.686 4.950 0.010 11 0 "[ . 1 . 2]" 1
1793 1 97 VAL H 1 112 LYS H . . 5.180 4.841 4.768 4.925 . 0 0 "[ . 1 . 2]" 1
1794 1 97 VAL H 1 112 LYS HA . . 4.050 3.833 3.694 4.045 . 0 0 "[ . 1 . 2]" 1
1795 1 97 VAL H 1 113 VAL H . . 4.470 4.210 4.020 4.379 . 0 0 "[ . 1 . 2]" 1
1796 1 97 VAL HA 1 98 GLU H . . 3.260 2.143 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
1797 1 97 VAL HA 1 111 PHE H . . 5.080 4.618 4.451 4.790 . 0 0 "[ . 1 . 2]" 1
1798 1 97 VAL HB 1 99 VAL MG2 . . 4.100 3.976 3.788 4.125 0.025 18 0 "[ . 1 . 2]" 1
1799 1 97 VAL HB 1 111 PHE H . . 3.870 3.340 2.995 3.594 . 0 0 "[ . 1 . 2]" 1
1800 1 97 VAL HB 1 111 PHE HB2 . . 3.910 1.999 1.972 2.055 . 0 0 "[ . 1 . 2]" 1
1801 1 97 VAL HB 1 111 PHE HB3 . . 3.910 3.284 3.067 3.491 . 0 0 "[ . 1 . 2]" 1
1802 1 97 VAL HB 1 111 PHE QD . . 4.100 3.269 2.981 3.554 . 0 0 "[ . 1 . 2]" 1
1803 1 97 VAL HB 1 112 LYS H . . 5.170 5.159 4.992 5.215 0.045 20 0 "[ . 1 . 2]" 1
1804 1 97 VAL HB 1 113 VAL MG2 . . 4.190 3.601 3.179 3.786 . 0 0 "[ . 1 . 2]" 1
1805 1 97 VAL MG1 1 98 GLU H . . 3.170 2.645 2.467 2.812 . 0 0 "[ . 1 . 2]" 1
1806 1 97 VAL MG1 1 99 VAL H . . 4.570 3.992 3.721 4.588 0.018 18 0 "[ . 1 . 2]" 1
1807 1 97 VAL MG1 1 99 VAL MG2 . . 3.080 2.311 2.105 2.553 . 0 0 "[ . 1 . 2]" 1
1808 1 97 VAL MG1 1 111 PHE H . . 4.400 4.068 3.855 4.279 . 0 0 "[ . 1 . 2]" 1
1809 1 97 VAL MG1 1 111 PHE HB2 . . 4.700 3.201 3.037 3.321 . 0 0 "[ . 1 . 2]" 1
1810 1 97 VAL MG1 1 111 PHE QB . . 3.880 3.127 2.977 3.230 . 0 0 "[ . 1 . 2]" 1
1811 1 97 VAL MG1 1 111 PHE HB3 . . 4.700 4.393 4.207 4.501 . 0 0 "[ . 1 . 2]" 1
1812 1 97 VAL MG1 1 111 PHE QD . . 3.910 2.927 2.474 3.262 . 0 0 "[ . 1 . 2]" 1
1813 1 97 VAL MG2 1 111 PHE HB2 . . 5.370 3.505 3.338 3.666 . 0 0 "[ . 1 . 2]" 1
1814 1 97 VAL MG2 1 111 PHE QB . . 4.640 3.299 3.191 3.447 . 0 0 "[ . 1 . 2]" 1
1815 1 97 VAL MG2 1 111 PHE HB3 . . 5.370 4.026 3.872 4.192 . 0 0 "[ . 1 . 2]" 1
1816 1 97 VAL MG2 1 113 VAL H . . 4.140 3.935 3.710 4.152 0.012 20 0 "[ . 1 . 2]" 1
1817 1 97 VAL MG2 1 113 VAL HB . . 3.860 3.547 3.277 3.751 . 0 0 "[ . 1 . 2]" 1
1818 1 97 VAL MG2 1 113 VAL MG2 . . 3.020 2.355 2.150 2.637 . 0 0 "[ . 1 . 2]" 1
1819 1 98 GLU H 1 98 GLU QB . . 3.240 2.302 2.204 2.370 . 0 0 "[ . 1 . 2]" 1
1820 1 98 GLU H 1 98 GLU HG2 . . 4.370 4.155 3.292 4.384 0.014 7 0 "[ . 1 . 2]" 1
1821 1 98 GLU H 1 98 GLU QG . . 3.770 3.150 3.069 3.266 . 0 0 "[ . 1 . 2]" 1
1822 1 98 GLU H 1 98 GLU HG3 . . 4.370 3.410 3.140 4.266 . 0 0 "[ . 1 . 2]" 1
1823 1 98 GLU H 1 99 VAL H . . 4.670 4.347 4.251 4.576 . 0 0 "[ . 1 . 2]" 1
1824 1 98 GLU H 1 99 VAL MG2 . . 4.670 4.214 4.108 4.354 . 0 0 "[ . 1 . 2]" 1
1825 1 98 GLU H 1 111 PHE H . . 5.230 4.870 4.683 5.051 . 0 0 "[ . 1 . 2]" 1
1826 1 98 GLU HA 1 99 VAL H . . 3.230 2.169 2.139 2.284 . 0 0 "[ . 1 . 2]" 1
1827 1 98 GLU HA 1 111 PHE H . . 4.450 3.661 3.354 3.955 . 0 0 "[ . 1 . 2]" 1
1828 1 98 GLU QB 1 99 VAL H . . 3.600 3.354 2.788 3.544 . 0 0 "[ . 1 . 2]" 1
1829 1 98 GLU QB 1 109 SER QB . . 5.340 4.467 4.118 4.874 . 0 0 "[ . 1 . 2]" 1
1830 1 98 GLU QG 1 99 VAL H . . 4.070 4.036 3.962 4.100 0.030 17 0 "[ . 1 . 2]" 1
1831 1 98 GLU QG 1 110 PRO HB3 . . 4.080 2.455 1.959 3.023 . 0 0 "[ . 1 . 2]" 1
1832 1 98 GLU HG2 1 99 VAL H . . 4.720 4.397 4.273 4.494 . 0 0 "[ . 1 . 2]" 1
1833 1 98 GLU HG2 1 110 PRO HB3 . . 4.650 2.785 2.343 3.085 . 0 0 "[ . 1 . 2]" 1
1834 1 98 GLU HG3 1 99 VAL H . . 4.720 4.699 4.647 4.786 0.066 18 0 "[ . 1 . 2]" 1
1835 1 98 GLU HG3 1 110 PRO HB3 . . 4.650 2.895 2.101 4.351 . 0 0 "[ . 1 . 2]" 1
1836 1 99 VAL H 1 99 VAL HB . . 3.500 2.667 2.540 2.957 . 0 0 "[ . 1 . 2]" 1
1837 1 99 VAL H 1 99 VAL MG1 . . 4.140 3.855 3.810 3.976 . 0 0 "[ . 1 . 2]" 1
1838 1 99 VAL H 1 99 VAL MG2 . . 3.420 2.624 2.432 2.954 . 0 0 "[ . 1 . 2]" 1
1839 1 99 VAL H 1 100 THR H . . 4.530 4.441 4.164 4.532 0.002 8 0 "[ . 1 . 2]" 1
1840 1 99 VAL H 1 100 THR MG . . 4.130 4.020 3.551 4.140 0.010 12 0 "[ . 1 . 2]" 1
1841 1 99 VAL H 1 106 ILE H . . 5.040 4.730 4.573 4.896 . 0 0 "[ . 1 . 2]" 1
1842 1 99 VAL H 1 109 SER HA . . 4.920 4.581 4.126 4.950 0.030 18 0 "[ . 1 . 2]" 1
1843 1 99 VAL H 1 109 SER HB2 . . 4.090 3.162 2.234 3.438 . 0 0 "[ . 1 . 2]" 1
1844 1 99 VAL H 1 109 SER HB3 . . 4.090 2.840 2.390 3.558 . 0 0 "[ . 1 . 2]" 1
1845 1 99 VAL H 1 109 SER HG . . 3.390 2.855 2.037 3.401 0.011 5 0 "[ . 1 . 2]" 1
1846 1 99 VAL H 1 110 PRO HA . . 4.270 3.640 3.225 3.960 . 0 0 "[ . 1 . 2]" 1
1847 1 99 VAL H 1 111 PHE H . . 5.030 4.694 4.523 5.048 0.018 14 0 "[ . 1 . 2]" 1
1848 1 99 VAL H 1 111 PHE QD . . 4.290 4.038 3.785 4.299 0.009 18 0 "[ . 1 . 2]" 1
1849 1 99 VAL H 1 111 PHE QE . . 4.760 4.594 4.253 4.762 0.002 2 0 "[ . 1 . 2]" 1
1850 1 99 VAL HA 1 99 VAL MG1 . . 3.350 2.309 2.203 2.392 . 0 0 "[ . 1 . 2]" 1
1851 1 99 VAL HA 1 99 VAL MG2 . . 3.400 2.382 2.292 2.488 . 0 0 "[ . 1 . 2]" 1
1852 1 99 VAL HA 1 100 THR H . . 2.750 2.186 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
1853 1 99 VAL HB 1 100 THR H . . 4.320 4.005 3.885 4.224 . 0 0 "[ . 1 . 2]" 1
1854 1 99 VAL HB 1 106 ILE H . . 4.030 3.907 3.537 4.044 0.014 3 0 "[ . 1 . 2]" 1
1855 1 99 VAL HB 1 106 ILE MD . . 3.500 2.296 1.970 2.560 . 0 0 "[ . 1 . 2]" 1
1856 1 99 VAL HB 1 106 ILE HG12 . . 4.280 2.531 2.324 2.658 . 0 0 "[ . 1 . 2]" 1
1857 1 99 VAL HB 1 106 ILE QG . . 3.730 2.459 2.232 2.573 . 0 0 "[ . 1 . 2]" 1
1858 1 99 VAL HB 1 106 ILE HG13 . . 4.280 3.374 2.880 3.869 . 0 0 "[ . 1 . 2]" 1
1859 1 99 VAL HB 1 106 ILE MG . . 4.180 3.997 3.570 4.184 0.004 13 0 "[ . 1 . 2]" 1
1860 1 99 VAL HB 1 111 PHE QD . . 4.640 4.025 3.623 4.327 . 0 0 "[ . 1 . 2]" 1
1861 1 99 VAL HB 1 111 PHE QE . . 4.410 3.116 2.461 3.603 . 0 0 "[ . 1 . 2]" 1
1862 1 99 VAL MG1 1 100 THR H . . 3.020 2.243 1.948 2.759 . 0 0 "[ . 1 . 2]" 1
1863 1 99 VAL MG2 1 109 SER H . . 5.500 5.400 5.176 5.507 0.007 20 0 "[ . 1 . 2]" 1
1864 1 99 VAL MG2 1 109 SER HB2 . . 4.830 3.995 3.074 4.460 . 0 0 "[ . 1 . 2]" 1
1865 1 99 VAL MG2 1 109 SER QB . . 4.230 3.624 3.025 3.911 . 0 0 "[ . 1 . 2]" 1
1866 1 99 VAL MG2 1 109 SER HB3 . . 4.830 4.274 3.833 4.686 . 0 0 "[ . 1 . 2]" 1
1867 1 99 VAL MG2 1 111 PHE QB . . 4.960 3.869 3.669 4.119 . 0 0 "[ . 1 . 2]" 1
1868 1 99 VAL MG2 1 111 PHE QD . . 3.920 2.195 1.974 2.559 . 0 0 "[ . 1 . 2]" 1
1869 1 100 THR H 1 100 THR MG . . 3.520 3.205 3.026 3.307 . 0 0 "[ . 1 . 2]" 1
1870 1 100 THR H 1 101 TYR HA . . 4.950 4.667 4.583 4.828 . 0 0 "[ . 1 . 2]" 1
1871 1 100 THR HA 1 100 THR MG . . 3.490 2.255 2.137 2.367 . 0 0 "[ . 1 . 2]" 1
1872 1 100 THR HA 1 101 TYR H . . 2.990 2.150 2.142 2.226 . 0 0 "[ . 1 . 2]" 1
1873 1 100 THR HA 1 104 VAL H . . 3.950 3.874 3.642 3.980 0.030 20 0 "[ . 1 . 2]" 1
1874 1 100 THR HA 1 105 PRO HA . . 4.760 2.201 1.990 2.329 . 0 0 "[ . 1 . 2]" 1
1875 1 100 THR HA 1 106 ILE H . . 3.790 3.653 3.349 3.803 0.013 7 0 "[ . 1 . 2]" 1
1876 1 100 THR HA 1 106 ILE MG . . 4.410 4.183 3.739 4.435 0.025 20 0 "[ . 1 . 2]" 1
1877 1 100 THR HB 1 101 TYR H . . 3.600 3.380 2.894 3.571 . 0 0 "[ . 1 . 2]" 1
1878 1 100 THR HB 1 103 ASP H . . 3.940 3.484 3.246 3.639 . 0 0 "[ . 1 . 2]" 1
1879 1 100 THR HB 1 103 ASP HA . . 4.060 3.246 3.086 3.513 . 0 0 "[ . 1 . 2]" 1
1880 1 100 THR HB 1 104 VAL H . . 3.340 2.902 2.488 3.101 . 0 0 "[ . 1 . 2]" 1
1881 1 100 THR HB 1 104 VAL HA . . 5.200 4.509 3.974 4.815 . 0 0 "[ . 1 . 2]" 1
1882 1 100 THR HB 1 105 PRO HA . . 5.410 3.982 3.782 4.122 . 0 0 "[ . 1 . 2]" 1
1883 1 100 THR MG 1 103 ASP H . . 5.110 4.895 4.628 5.031 . 0 0 "[ . 1 . 2]" 1
1884 1 100 THR MG 1 104 VAL H . . 4.090 3.998 3.734 4.102 0.012 7 0 "[ . 1 . 2]" 1
1885 1 100 THR MG 1 104 VAL HA . . 4.670 4.201 3.685 4.387 . 0 0 "[ . 1 . 2]" 1
1886 1 100 THR MG 1 105 PRO HA . . 3.170 2.452 2.058 2.710 . 0 0 "[ . 1 . 2]" 1
1887 1 100 THR MG 1 105 PRO HB2 . . 4.040 3.893 3.598 4.048 0.008 8 0 "[ . 1 . 2]" 1
1888 1 100 THR MG 1 105 PRO HB3 . . 3.460 2.526 2.157 2.701 . 0 0 "[ . 1 . 2]" 1
1889 1 100 THR MG 1 105 PRO HD2 . . 4.450 4.326 3.991 4.462 0.012 15 0 "[ . 1 . 2]" 1
1890 1 100 THR MG 1 105 PRO HD3 . . 3.620 2.987 2.611 3.199 . 0 0 "[ . 1 . 2]" 1
1891 1 100 THR MG 1 106 ILE H . . 4.380 4.139 3.751 4.314 . 0 0 "[ . 1 . 2]" 1
1892 1 101 TYR H 1 101 TYR HB2 . . 3.680 2.802 2.654 2.999 . 0 0 "[ . 1 . 2]" 1
1893 1 101 TYR H 1 101 TYR QB . . 3.140 2.416 2.342 2.534 . 0 0 "[ . 1 . 2]" 1
1894 1 101 TYR H 1 101 TYR HB3 . . 3.680 2.643 2.485 2.757 . 0 0 "[ . 1 . 2]" 1
1895 1 101 TYR H 1 101 TYR QD . . 4.620 4.260 4.165 4.308 . 0 0 "[ . 1 . 2]" 1
1896 1 101 TYR H 1 102 ASP H . . 4.680 4.256 4.101 4.372 . 0 0 "[ . 1 . 2]" 1
1897 1 101 TYR H 1 103 ASP H . . 4.630 4.546 4.089 4.657 0.027 14 0 "[ . 1 . 2]" 1
1898 1 101 TYR H 1 104 VAL H . . 3.320 3.012 2.570 3.174 . 0 0 "[ . 1 . 2]" 1
1899 1 101 TYR H 1 104 VAL HB . . 4.270 3.806 3.414 3.953 . 0 0 "[ . 1 . 2]" 1
1900 1 101 TYR H 1 105 PRO HA . . 3.640 3.438 3.142 3.633 . 0 0 "[ . 1 . 2]" 1
1901 1 101 TYR H 1 106 ILE H . . 4.640 4.463 4.258 4.630 . 0 0 "[ . 1 . 2]" 1
1902 1 101 TYR H 1 106 ILE MG . . 4.020 3.647 3.246 4.007 . 0 0 "[ . 1 . 2]" 1
1903 1 101 TYR HA 1 102 ASP H . . 3.530 2.149 2.137 2.177 . 0 0 "[ . 1 . 2]" 1
1904 1 101 TYR HA 1 103 ASP H . . 4.690 4.066 3.873 4.323 . 0 0 "[ . 1 . 2]" 1
1905 1 101 TYR HA 1 104 VAL H . . 4.830 4.237 4.153 4.317 . 0 0 "[ . 1 . 2]" 1
1906 1 101 TYR QB 1 102 ASP H . . 4.390 3.888 3.817 3.955 . 0 0 "[ . 1 . 2]" 1
1907 1 101 TYR QB 1 106 ILE MG . . 3.790 3.083 2.816 3.239 . 0 0 "[ . 1 . 2]" 1
1908 1 101 TYR HB2 1 106 ILE MG . . 4.460 3.377 3.126 3.558 . 0 0 "[ . 1 . 2]" 1
1909 1 101 TYR HB3 1 106 ILE MG . . 4.460 3.572 3.198 3.775 . 0 0 "[ . 1 . 2]" 1
1910 1 101 TYR QD 1 102 ASP H . . 4.600 3.334 3.048 3.685 . 0 0 "[ . 1 . 2]" 1
1911 1 101 TYR QD 1 102 ASP QB . . 3.790 2.099 1.962 2.301 . 0 0 "[ . 1 . 2]" 1
1912 1 101 TYR QD 1 104 VAL H . . 5.050 4.835 4.515 5.052 0.002 5 0 "[ . 1 . 2]" 1
1913 1 101 TYR QE 1 102 ASP QB . . 4.530 2.930 2.355 3.691 . 0 0 "[ . 1 . 2]" 1
1914 1 102 ASP H 1 102 ASP QB . . 3.910 3.028 2.876 3.293 . 0 0 "[ . 1 . 2]" 1
1915 1 102 ASP H 1 103 ASP H . . 3.940 2.729 2.634 2.821 . 0 0 "[ . 1 . 2]" 1
1916 1 102 ASP H 1 104 VAL H . . 5.010 3.958 3.810 4.069 . 0 0 "[ . 1 . 2]" 1
1917 1 102 ASP HA 1 103 ASP H . . 3.530 2.730 2.633 2.811 . 0 0 "[ . 1 . 2]" 1
1918 1 102 ASP QB 1 103 ASP H . . 4.360 3.921 3.850 3.974 . 0 0 "[ . 1 . 2]" 1
1919 1 102 ASP QB 1 104 VAL H . . 4.230 3.977 3.841 4.174 . 0 0 "[ . 1 . 2]" 1
1920 1 103 ASP H 1 104 VAL H . . 3.530 2.591 2.517 2.704 . 0 0 "[ . 1 . 2]" 1
1921 1 103 ASP H 1 104 VAL MG2 . . 4.960 4.316 4.211 4.398 . 0 0 "[ . 1 . 2]" 1
1922 1 103 ASP HA 1 104 VAL H . . 3.500 2.923 2.849 2.982 . 0 0 "[ . 1 . 2]" 1
1923 1 103 ASP HA 1 104 VAL MG2 . . 4.540 4.214 4.094 4.305 . 0 0 "[ . 1 . 2]" 1
1924 1 103 ASP QB 1 104 VAL H . . 4.380 3.796 3.747 3.848 . 0 0 "[ . 1 . 2]" 1
1925 1 104 VAL H 1 104 VAL HB . . 3.060 2.839 2.760 2.933 . 0 0 "[ . 1 . 2]" 1
1926 1 104 VAL H 1 104 VAL MG1 . . 3.980 3.916 3.880 3.955 . 0 0 "[ . 1 . 2]" 1
1927 1 104 VAL H 1 104 VAL MG2 . . 3.070 2.973 2.856 3.062 . 0 0 "[ . 1 . 2]" 1
1928 1 104 VAL H 1 105 PRO HD2 . . 4.780 4.644 4.515 4.725 . 0 0 "[ . 1 . 2]" 1
1929 1 104 VAL HA 1 104 VAL MG1 . . 3.350 2.381 2.264 2.462 . 0 0 "[ . 1 . 2]" 1
1930 1 104 VAL HA 1 104 VAL MG2 . . 3.250 2.379 2.323 2.425 . 0 0 "[ . 1 . 2]" 1
1931 1 104 VAL HA 1 105 PRO HD2 . . 3.400 1.973 1.922 2.055 . 0 0 "[ . 1 . 2]" 1
1932 1 104 VAL HA 1 105 PRO HD3 . . 3.320 2.339 2.275 2.421 . 0 0 "[ . 1 . 2]" 1
1933 1 104 VAL HA 1 105 PRO HG2 . . 4.250 4.172 4.129 4.237 . 0 0 "[ . 1 . 2]" 1
1934 1 104 VAL HA 1 105 PRO HG3 . . 4.700 4.323 4.315 4.346 . 0 0 "[ . 1 . 2]" 1
1935 1 104 VAL MG1 1 105 PRO HD2 . . 3.400 2.319 1.961 2.697 . 0 0 "[ . 1 . 2]" 1
1936 1 104 VAL MG1 1 105 PRO HD3 . . 3.930 3.635 3.352 3.934 0.004 20 0 "[ . 1 . 2]" 1
1937 1 104 VAL MG1 1 105 PRO HG2 . . 3.920 3.525 3.169 3.917 . 0 0 "[ . 1 . 2]" 1
1938 1 104 VAL MG1 1 105 PRO HG3 . . 4.840 4.507 4.174 4.866 0.026 20 0 "[ . 1 . 2]" 1
1939 1 104 VAL MG2 1 105 PRO HD2 . . 3.790 3.581 3.444 3.739 . 0 0 "[ . 1 . 2]" 1
1940 1 104 VAL MG2 1 105 PRO HD3 . . 4.600 4.298 4.167 4.398 . 0 0 "[ . 1 . 2]" 1
1941 1 105 PRO HA 1 106 ILE H . . 3.070 2.249 2.187 2.308 . 0 0 "[ . 1 . 2]" 1
1942 1 105 PRO HB2 1 106 ILE H . . 4.040 3.055 2.860 3.298 . 0 0 "[ . 1 . 2]" 1
1943 1 105 PRO HB2 1 109 SER H . . 5.110 5.053 4.681 5.139 0.029 18 0 "[ . 1 . 2]" 1
1944 1 105 PRO HB2 1 109 SER HB2 . . 4.800 4.307 3.908 4.854 0.054 20 0 "[ . 1 . 2]" 1
1945 1 105 PRO HB2 1 109 SER QB . . 4.040 3.802 3.162 4.045 0.005 2 0 "[ . 1 . 2]" 1
1946 1 105 PRO HB2 1 109 SER HB3 . . 4.800 4.482 3.206 4.821 0.021 12 0 "[ . 1 . 2]" 1
1947 1 105 PRO HB3 1 106 ILE H . . 3.950 3.699 3.585 3.847 . 0 0 "[ . 1 . 2]" 1
1948 1 105 PRO HB3 1 109 SER QB . . 4.470 4.275 3.910 4.453 . 0 0 "[ . 1 . 2]" 1
1949 1 106 ILE H 1 106 ILE HB . . 3.870 3.600 3.548 3.643 . 0 0 "[ . 1 . 2]" 1
1950 1 106 ILE H 1 106 ILE MD . . 4.040 3.581 3.537 3.611 . 0 0 "[ . 1 . 2]" 1
1951 1 106 ILE H 1 106 ILE HG12 . . 3.650 1.915 1.883 1.999 . 0 0 "[ . 1 . 2]" 1
1952 1 106 ILE H 1 106 ILE QG . . 3.180 1.853 1.816 1.895 . 0 0 "[ . 1 . 2]" 1
1953 1 106 ILE H 1 106 ILE HG13 . . 3.650 2.497 2.274 2.968 . 0 0 "[ . 1 . 2]" 1
1954 1 106 ILE H 1 106 ILE MG . . 3.190 2.865 2.484 3.168 . 0 0 "[ . 1 . 2]" 1
1955 1 106 ILE H 1 109 SER H . . 4.480 3.935 3.701 4.198 . 0 0 "[ . 1 . 2]" 1
1956 1 106 ILE H 1 109 SER HB2 . . 4.620 3.069 2.568 3.932 . 0 0 "[ . 1 . 2]" 1
1957 1 106 ILE H 1 109 SER QB . . 3.920 2.883 2.540 3.119 . 0 0 "[ . 1 . 2]" 1
1958 1 106 ILE H 1 109 SER HB3 . . 4.620 4.096 3.016 4.620 . 0 0 "[ . 1 . 2]" 1
1959 1 106 ILE H 1 109 SER HG . . 5.080 4.799 4.248 5.096 0.016 12 0 "[ . 1 . 2]" 1
1960 1 106 ILE HB 1 106 ILE MD . . 3.480 2.304 2.215 2.388 . 0 0 "[ . 1 . 2]" 1
1961 1 106 ILE HB 1 107 PRO HD2 . . 4.120 1.976 1.876 2.003 . 0 0 "[ . 1 . 2]" 1
1962 1 106 ILE HB 1 107 PRO HD3 . . 4.120 3.428 3.343 3.452 . 0 0 "[ . 1 . 2]" 1
1963 1 106 ILE HB 1 107 PRO HG3 . . 4.720 4.593 4.510 4.624 . 0 0 "[ . 1 . 2]" 1
1964 1 106 ILE HB 1 109 SER H . . 4.690 3.708 3.445 3.988 . 0 0 "[ . 1 . 2]" 1
1965 1 106 ILE MD 1 109 SER H . . 4.240 3.336 3.123 3.655 . 0 0 "[ . 1 . 2]" 1
1966 1 106 ILE MD 1 111 PHE QD . . 3.840 3.763 3.596 3.842 0.002 2 0 "[ . 1 . 2]" 1
1967 1 106 ILE MD 1 111 PHE QE . . 3.750 1.935 1.765 1.975 . 0 0 "[ . 1 . 2]" 1
1968 1 106 ILE MD 1 111 PHE HZ . . 3.800 2.592 1.944 3.300 . 0 0 "[ . 1 . 2]" 1
1969 1 106 ILE QG 1 106 ILE MG . . 3.340 2.279 2.139 2.366 . 0 0 "[ . 1 . 2]" 1
1970 1 106 ILE QG 1 109 SER H . . 3.730 2.165 1.886 2.629 . 0 0 "[ . 1 . 2]" 1
1971 1 106 ILE QG 1 109 SER QB . . 4.520 2.053 1.864 2.232 . 0 0 "[ . 1 . 2]" 1
1972 1 106 ILE QG 1 111 PHE QE . . 4.310 3.536 3.008 3.705 . 0 0 "[ . 1 . 2]" 1
1973 1 106 ILE QG 1 111 PHE HZ . . 4.730 4.310 3.860 4.721 . 0 0 "[ . 1 . 2]" 1
1974 1 106 ILE HG12 1 109 SER H . . 4.310 3.866 3.354 4.359 0.049 14 0 "[ . 1 . 2]" 1
1975 1 106 ILE HG12 1 111 PHE QE . . 4.940 4.191 3.592 4.497 . 0 0 "[ . 1 . 2]" 1
1976 1 106 ILE HG13 1 109 SER H . . 4.310 2.176 1.896 2.650 . 0 0 "[ . 1 . 2]" 1
1977 1 106 ILE HG13 1 111 PHE QE . . 4.940 3.827 3.228 4.065 . 0 0 "[ . 1 . 2]" 1
1978 1 106 ILE MG 1 107 PRO HD2 . . 4.210 2.645 2.236 3.069 . 0 0 "[ . 1 . 2]" 1
1979 1 106 ILE MG 1 107 PRO HD3 . . 4.290 3.472 3.126 3.771 . 0 0 "[ . 1 . 2]" 1
1980 1 107 PRO HA 1 108 ASN H . . 3.320 3.283 3.251 3.299 . 0 0 "[ . 1 . 2]" 1
1981 1 107 PRO HA 1 108 ASN HA . . 4.700 4.572 4.539 4.594 . 0 0 "[ . 1 . 2]" 1
1982 1 107 PRO HA 1 109 SER H . . 4.240 4.003 3.741 4.227 . 0 0 "[ . 1 . 2]" 1
1983 1 107 PRO HB2 1 108 ASN H . . 4.100 3.990 3.965 4.035 . 0 0 "[ . 1 . 2]" 1
1984 1 107 PRO HB2 1 108 ASN HD21 . . 4.510 4.170 3.400 4.463 . 0 0 "[ . 1 . 2]" 1
1985 1 107 PRO HB2 1 108 ASN HD22 . . 4.510 4.145 3.786 4.385 . 0 0 "[ . 1 . 2]" 1
1986 1 107 PRO HD3 1 108 ASN H . . 5.090 4.062 4.043 4.099 . 0 0 "[ . 1 . 2]" 1
1987 1 107 PRO HG2 1 108 ASN H . . 3.700 3.396 3.346 3.489 . 0 0 "[ . 1 . 2]" 1
1988 1 107 PRO HG2 1 108 ASN HD21 . . 4.520 3.379 2.066 4.148 . 0 0 "[ . 1 . 2]" 1
1989 1 107 PRO HG2 1 108 ASN QD . . 3.980 2.626 1.926 3.234 . 0 0 "[ . 1 . 2]" 1
1990 1 107 PRO HG2 1 108 ASN HD22 . . 4.520 2.768 2.209 3.374 . 0 0 "[ . 1 . 2]" 1
1991 1 107 PRO HG3 1 108 ASN H . . 5.020 4.656 4.617 4.727 . 0 0 "[ . 1 . 2]" 1
1992 1 108 ASN H 1 108 ASN HB2 . . 4.040 2.672 2.485 2.830 . 0 0 "[ . 1 . 2]" 1
1993 1 108 ASN H 1 108 ASN QB . . 3.500 2.614 2.448 2.746 . 0 0 "[ . 1 . 2]" 1
1994 1 108 ASN H 1 108 ASN HB3 . . 4.040 3.716 3.687 3.746 . 0 0 "[ . 1 . 2]" 1
1995 1 108 ASN H 1 108 ASN HD21 . . 5.130 3.247 1.810 4.076 . 0 0 "[ . 1 . 2]" 1
1996 1 108 ASN H 1 108 ASN HD22 . . 5.130 4.005 3.414 4.406 . 0 0 "[ . 1 . 2]" 1
1997 1 108 ASN H 1 109 SER H . . 3.320 2.048 1.976 2.108 . 0 0 "[ . 1 . 2]" 1
1998 1 108 ASN H 1 109 SER QB . . 4.390 3.847 3.714 3.969 . 0 0 "[ . 1 . 2]" 1
1999 1 108 ASN HA 1 108 ASN HD21 . . 4.620 2.759 2.180 3.756 . 0 0 "[ . 1 . 2]" 1
2000 1 108 ASN HA 1 108 ASN QD . . 4.020 2.684 2.165 3.553 . 0 0 "[ . 1 . 2]" 1
2001 1 108 ASN HA 1 108 ASN HD22 . . 4.620 3.935 3.645 4.384 . 0 0 "[ . 1 . 2]" 1
2002 1 108 ASN QB 1 108 ASN QD . . 3.040 2.400 2.249 2.480 . 0 0 "[ . 1 . 2]" 1
2003 1 108 ASN QB 1 111 PHE QD . . 4.170 3.962 3.464 4.181 0.011 12 0 "[ . 1 . 2]" 1
2004 1 108 ASN QB 1 111 PHE QE . . 3.490 2.373 1.970 2.695 . 0 0 "[ . 1 . 2]" 1
2005 1 108 ASN QB 1 111 PHE HZ . . 4.950 2.030 1.822 2.270 . 0 0 "[ . 1 . 2]" 1
2006 1 108 ASN HB2 1 109 SER H . . 4.340 3.197 2.962 3.596 . 0 0 "[ . 1 . 2]" 1
2007 1 108 ASN HB2 1 111 PHE QD . . 4.790 4.655 4.468 4.787 . 0 0 "[ . 1 . 2]" 1
2008 1 108 ASN HB2 1 111 PHE QE . . 4.020 3.023 2.812 3.206 . 0 0 "[ . 1 . 2]" 1
2009 1 108 ASN HB3 1 109 SER H . . 4.340 4.193 4.040 4.301 . 0 0 "[ . 1 . 2]" 1
2010 1 108 ASN HB3 1 111 PHE QD . . 4.790 4.324 3.591 4.770 . 0 0 "[ . 1 . 2]" 1
2011 1 108 ASN HB3 1 111 PHE QE . . 4.020 2.515 1.996 2.995 . 0 0 "[ . 1 . 2]" 1
2012 1 108 ASN QD 1 109 SER H . . 5.110 4.527 3.656 4.996 . 0 0 "[ . 1 . 2]" 1
2013 1 109 SER H 1 109 SER HB2 . . 3.710 2.398 2.218 3.108 . 0 0 "[ . 1 . 2]" 1
2014 1 109 SER H 1 109 SER QB . . 2.950 2.260 2.194 2.343 . 0 0 "[ . 1 . 2]" 1
2015 1 109 SER H 1 109 SER HB3 . . 3.710 3.325 2.319 3.567 . 0 0 "[ . 1 . 2]" 1
2016 1 109 SER H 1 109 SER HG . . 4.010 3.683 3.228 4.068 0.058 14 0 "[ . 1 . 2]" 1
2017 1 109 SER H 1 110 PRO HA . . 4.780 4.737 4.705 4.798 0.018 14 0 "[ . 1 . 2]" 1
2018 1 109 SER H 1 111 PHE QE . . 4.560 4.489 4.284 4.592 0.032 20 0 "[ . 1 . 2]" 1
2019 1 109 SER HA 1 110 PRO HB2 . . 4.860 4.435 4.340 4.474 . 0 0 "[ . 1 . 2]" 1
2020 1 109 SER HA 1 111 PHE H . . 3.740 3.281 3.013 3.552 . 0 0 "[ . 1 . 2]" 1
2021 1 109 SER HA 1 111 PHE QD . . 4.300 3.574 3.276 3.758 . 0 0 "[ . 1 . 2]" 1
2022 1 109 SER HA 1 111 PHE QE . . 4.700 4.048 3.802 4.286 . 0 0 "[ . 1 . 2]" 1
2023 1 109 SER QB 1 111 PHE H . . 4.400 3.981 3.665 4.423 0.023 19 0 "[ . 1 . 2]" 1
2024 1 109 SER QB 1 111 PHE QD . . 4.520 3.949 3.138 4.298 . 0 0 "[ . 1 . 2]" 1
2025 1 109 SER QB 1 111 PHE QE . . 4.430 3.881 2.897 4.267 . 0 0 "[ . 1 . 2]" 1
2026 1 109 SER HB2 1 111 PHE QE . . 5.040 4.099 2.938 4.642 . 0 0 "[ . 1 . 2]" 1
2027 1 109 SER HB3 1 111 PHE QE . . 5.040 4.889 4.416 5.058 0.018 15 0 "[ . 1 . 2]" 1
2028 1 109 SER HG 1 110 PRO HA . . 4.720 3.120 2.243 3.717 . 0 0 "[ . 1 . 2]" 1
2029 1 109 SER HG 1 111 PHE H . . 4.530 3.993 3.150 4.582 0.052 5 0 "[ . 1 . 2]" 1
2030 1 110 PRO HA 1 111 PHE H . . 3.140 2.350 2.243 2.478 . 0 0 "[ . 1 . 2]" 1
2031 1 110 PRO HB2 1 111 PHE H . . 3.830 2.751 2.423 3.067 . 0 0 "[ . 1 . 2]" 1
2032 1 110 PRO HB2 1 111 PHE HA . . 5.500 4.442 4.298 4.612 . 0 0 "[ . 1 . 2]" 1
2033 1 110 PRO HB3 1 111 PHE H . . 3.960 3.528 3.360 3.704 . 0 0 "[ . 1 . 2]" 1
2034 1 111 PHE H 1 111 PHE HB2 . . 3.920 2.370 2.308 2.476 . 0 0 "[ . 1 . 2]" 1
2035 1 111 PHE H 1 111 PHE QB . . 3.380 2.339 2.281 2.440 . 0 0 "[ . 1 . 2]" 1
2036 1 111 PHE H 1 111 PHE HB3 . . 3.920 3.608 3.569 3.677 . 0 0 "[ . 1 . 2]" 1
2037 1 111 PHE H 1 111 PHE QD . . 3.340 3.190 2.873 3.350 0.010 7 0 "[ . 1 . 2]" 1
2038 1 111 PHE H 1 111 PHE QE . . 5.260 5.110 4.766 5.281 0.021 12 0 "[ . 1 . 2]" 1
2039 1 111 PHE H 1 112 LYS H . . 4.610 4.536 4.500 4.588 . 0 0 "[ . 1 . 2]" 1
2040 1 111 PHE HA 1 111 PHE QD . . 4.050 2.565 2.348 2.842 . 0 0 "[ . 1 . 2]" 1
2041 1 111 PHE HA 1 112 LYS H . . 2.640 2.422 2.360 2.449 . 0 0 "[ . 1 . 2]" 1
2042 1 111 PHE QB 1 112 LYS H . . 3.230 2.374 2.313 2.498 . 0 0 "[ . 1 . 2]" 1
2043 1 111 PHE QB 1 112 LYS HA . . 4.720 4.011 3.974 4.059 . 0 0 "[ . 1 . 2]" 1
2044 1 111 PHE HB2 1 112 LYS H . . 3.840 3.752 3.666 3.853 0.013 3 0 "[ . 1 . 2]" 1
2045 1 111 PHE HB2 1 113 VAL MG2 . . 4.030 3.923 3.758 4.024 . 0 0 "[ . 1 . 2]" 1
2046 1 111 PHE HB3 1 112 LYS H . . 3.840 2.400 2.339 2.534 . 0 0 "[ . 1 . 2]" 1
2047 1 111 PHE HB3 1 113 VAL MG2 . . 4.030 3.279 3.129 3.430 . 0 0 "[ . 1 . 2]" 1
2048 1 111 PHE QD 1 112 LYS H . . 3.900 3.123 2.995 3.363 . 0 0 "[ . 1 . 2]" 1
2049 1 112 LYS H 1 112 LYS HB2 . . 3.100 2.562 2.507 2.617 . 0 0 "[ . 1 . 2]" 1
2050 1 112 LYS H 1 112 LYS HB3 . . 3.880 3.654 3.615 3.701 . 0 0 "[ . 1 . 2]" 1
2051 1 112 LYS H 1 112 LYS QD . . 4.530 4.221 4.015 4.583 0.053 7 0 "[ . 1 . 2]" 1
2052 1 112 LYS H 1 112 LYS HG2 . . 4.710 4.675 4.630 4.710 . 0 0 "[ . 1 . 2]" 1
2053 1 112 LYS H 1 112 LYS HG3 . . 3.700 3.667 3.615 3.699 . 0 0 "[ . 1 . 2]" 1
2054 1 112 LYS H 1 113 VAL H . . 4.070 4.031 3.952 4.090 0.020 11 0 "[ . 1 . 2]" 1
2055 1 112 LYS H 1 113 VAL MG2 . . 4.280 3.876 3.722 4.078 . 0 0 "[ . 1 . 2]" 1
2056 1 112 LYS HA 1 112 LYS QD . . 4.330 4.003 3.965 4.070 . 0 0 "[ . 1 . 2]" 1
2057 1 112 LYS HA 1 112 LYS HG2 . . 3.940 2.732 2.657 2.805 . 0 0 "[ . 1 . 2]" 1
2058 1 112 LYS HA 1 112 LYS HG3 . . 4.170 2.464 2.398 2.530 . 0 0 "[ . 1 . 2]" 1
2059 1 112 LYS HA 1 113 VAL H . . 2.720 2.158 2.151 2.171 . 0 0 "[ . 1 . 2]" 1
2060 1 112 LYS HA 1 113 VAL HB . . 4.690 4.658 4.624 4.690 . 0 0 "[ . 1 . 2]" 1
2061 1 112 LYS HA 1 113 VAL MG2 . . 4.490 3.858 3.731 3.953 . 0 0 "[ . 1 . 2]" 1
2062 1 112 LYS HB2 1 112 LYS QE . . 4.570 3.359 2.386 4.045 . 0 0 "[ . 1 . 2]" 1
2063 1 112 LYS HB2 1 113 VAL H . . 4.690 4.543 4.515 4.562 . 0 0 "[ . 1 . 2]" 1
2064 1 112 LYS QE 1 112 LYS HG2 . . 3.710 2.682 2.102 3.438 . 0 0 "[ . 1 . 2]" 1
2065 1 112 LYS HG2 1 113 VAL H . . 4.680 4.429 4.341 4.550 . 0 0 "[ . 1 . 2]" 1
2066 1 112 LYS HG3 1 113 VAL H . . 4.870 4.599 4.513 4.683 . 0 0 "[ . 1 . 2]" 1
2067 1 113 VAL H 1 113 VAL HB . . 3.130 2.536 2.514 2.564 . 0 0 "[ . 1 . 2]" 1
2068 1 113 VAL H 1 113 VAL MG2 . . 3.330 2.605 2.481 2.765 . 0 0 "[ . 1 . 2]" 1
2069 1 113 VAL H 1 114 ALA H . . 4.410 4.152 4.084 4.290 . 0 0 "[ . 1 . 2]" 1
2070 1 113 VAL HA 1 113 VAL MG1 . . 3.170 2.398 2.318 2.459 . 0 0 "[ . 1 . 2]" 1
2071 1 113 VAL HA 1 113 VAL MG2 . . 3.240 2.340 2.260 2.440 . 0 0 "[ . 1 . 2]" 1
2072 1 113 VAL HA 1 114 ALA H . . 2.580 2.182 2.146 2.202 . 0 0 "[ . 1 . 2]" 1
2073 1 113 VAL HA 1 114 ALA MB . . 4.260 4.046 3.995 4.088 . 0 0 "[ . 1 . 2]" 1
2074 1 113 VAL HB 1 114 ALA H . . 4.530 4.427 4.338 4.456 . 0 0 "[ . 1 . 2]" 1
2075 1 113 VAL HB 1 115 VAL H . . 5.380 4.942 4.717 5.254 . 0 0 "[ . 1 . 2]" 1
2076 1 113 VAL HB 1 115 VAL MG2 . . 4.850 3.781 3.530 4.036 . 0 0 "[ . 1 . 2]" 1
2077 1 113 VAL MG1 1 114 ALA H . . 3.140 3.079 2.994 3.149 0.009 5 0 "[ . 1 . 2]" 1
2078 1 113 VAL MG1 1 115 VAL H . . 4.420 3.570 3.354 3.757 . 0 0 "[ . 1 . 2]" 1
2079 1 113 VAL MG1 1 115 VAL HA . . 4.030 3.658 3.549 3.791 . 0 0 "[ . 1 . 2]" 1
2080 1 113 VAL MG1 1 115 VAL MG2 . . 3.430 2.330 2.035 2.518 . 0 0 "[ . 1 . 2]" 1
2081 1 114 ALA H 1 114 ALA MB . . 2.770 2.206 2.081 2.280 . 0 0 "[ . 1 . 2]" 1
2082 1 114 ALA H 1 115 VAL H . . 4.320 4.184 4.099 4.285 . 0 0 "[ . 1 . 2]" 1
2083 1 114 ALA HA 1 115 VAL H . . 2.660 2.211 2.164 2.251 . 0 0 "[ . 1 . 2]" 1
2084 1 114 ALA MB 1 115 VAL H . . 3.580 3.518 3.424 3.581 0.001 9 0 "[ . 1 . 2]" 1
2085 1 115 VAL H 1 115 VAL HB . . 3.210 2.463 2.357 2.543 . 0 0 "[ . 1 . 2]" 1
2086 1 115 VAL H 1 115 VAL MG1 . . 3.780 3.758 3.715 3.776 . 0 0 "[ . 1 . 2]" 1
2087 1 115 VAL H 1 115 VAL MG2 . . 3.240 2.384 2.159 2.572 . 0 0 "[ . 1 . 2]" 1
2088 1 115 VAL H 1 116 THR H . . 4.700 4.604 4.580 4.624 . 0 0 "[ . 1 . 2]" 1
2089 1 115 VAL HA 1 115 VAL MG1 . . 3.710 2.426 2.275 2.512 . 0 0 "[ . 1 . 2]" 1
2090 1 115 VAL HA 1 115 VAL MG2 . . 3.490 2.269 2.206 2.389 . 0 0 "[ . 1 . 2]" 1
2091 1 115 VAL HA 1 116 THR H . . 2.670 2.247 2.182 2.312 . 0 0 "[ . 1 . 2]" 1
2092 1 115 VAL HA 1 116 THR MG . . 3.670 3.590 3.425 3.675 0.005 20 0 "[ . 1 . 2]" 1
2093 1 115 VAL HB 1 116 THR H . . 4.110 3.938 3.823 4.109 . 0 0 "[ . 1 . 2]" 1
2094 1 115 VAL MG1 1 116 THR H . . 3.060 2.083 1.859 2.203 . 0 0 "[ . 1 . 2]" 1
2095 1 115 VAL MG2 1 116 THR H . . 3.860 3.806 3.597 3.902 0.042 8 0 "[ . 1 . 2]" 1
2096 1 116 THR H 1 116 THR HB . . 3.430 3.229 3.088 3.393 . 0 0 "[ . 1 . 2]" 1
2097 1 116 THR H 1 116 THR MG . . 3.370 2.167 1.923 2.417 . 0 0 "[ . 1 . 2]" 1
2098 1 116 THR H 1 117 GLU H . . 4.590 4.436 4.376 4.503 . 0 0 "[ . 1 . 2]" 1
2099 1 116 THR HA 1 116 THR MG . . 3.680 3.204 3.191 3.207 . 0 0 "[ . 1 . 2]" 1
2100 1 116 THR HA 1 117 GLU H . . 3.000 2.323 2.214 2.481 . 0 0 "[ . 1 . 2]" 1
2101 1 116 THR HB 1 117 GLU H . . 4.060 3.861 3.647 4.047 . 0 0 "[ . 1 . 2]" 1
2102 1 116 THR MG 1 117 GLU H . . 3.800 3.608 3.287 3.800 . 0 0 "[ . 1 . 2]" 1
2103 1 117 GLU H 1 117 GLU HB2 . . 3.680 2.564 2.185 3.565 . 0 0 "[ . 1 . 2]" 1
2104 1 117 GLU H 1 117 GLU QB . . 2.930 2.402 2.164 2.960 0.030 9 0 "[ . 1 . 2]" 1
2105 1 117 GLU H 1 117 GLU HB3 . . 3.680 3.443 2.854 3.599 . 0 0 "[ . 1 . 2]" 1
2106 1 117 GLU H 1 117 GLU QG . . 3.560 2.493 1.838 3.431 . 0 0 "[ . 1 . 2]" 1
2107 1 117 GLU HA 1 118 GLY H . . 2.800 2.153 2.143 2.177 . 0 0 "[ . 1 . 2]" 1
2108 1 117 GLU QB 1 118 GLY H . . 3.560 3.496 3.262 3.576 0.016 9 0 "[ . 1 . 2]" 1
2109 1 117 GLU QG 1 118 GLY H . . 4.400 4.187 3.770 4.545 0.145 9 0 "[ . 1 . 2]" 1
2110 1 118 GLY H 1 119 CYS H . . 4.070 3.139 1.882 4.059 . 0 0 "[ . 1 . 2]" 1
2111 1 118 GLY H 1 119 CYS HA . . 5.280 4.754 4.130 5.194 . 0 0 "[ . 1 . 2]" 1
2112 1 118 GLY QA 1 119 CYS H . . 2.950 2.267 2.109 2.737 . 0 0 "[ . 1 . 2]" 1
2113 1 119 CYS H 1 119 CYS QB . . 3.550 2.738 2.232 3.293 . 0 0 "[ . 1 . 2]" 1
2114 1 119 CYS H 1 120 GLN H . . 4.600 4.215 2.704 4.556 . 0 0 "[ . 1 . 2]" 1
2115 1 119 CYS HA 1 120 GLN H . . 3.250 2.320 2.147 2.876 . 0 0 "[ . 1 . 2]" 1
2116 1 119 CYS QB 1 120 GLN H . . 4.060 3.188 2.187 3.982 . 0 0 "[ . 1 . 2]" 1
2117 1 120 GLN H 1 120 GLN QB . . 3.560 2.653 2.135 3.229 . 0 0 "[ . 1 . 2]" 1
2118 1 120 GLN H 1 120 GLN QG . . 4.280 2.905 1.944 4.190 . 0 0 "[ . 1 . 2]" 1
2119 1 120 GLN HA 1 121 PRO HD2 . . 3.320 2.222 2.019 2.416 . 0 0 "[ . 1 . 2]" 1
2120 1 120 GLN HA 1 121 PRO HD3 . . 3.200 2.268 2.251 2.304 . 0 0 "[ . 1 . 2]" 1
2121 1 120 GLN QB 1 121 PRO HD2 . . 3.480 2.615 2.012 3.484 0.004 3 0 "[ . 1 . 2]" 1
2122 1 120 GLN HB2 1 121 PRO HD2 . . 4.150 3.204 2.024 4.036 . 0 0 "[ . 1 . 2]" 1
2123 1 120 GLN HB3 1 121 PRO HD2 . . 4.150 3.273 2.052 4.064 . 0 0 "[ . 1 . 2]" 1
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