NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550458 |
2lyd   |
18720 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyd
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 640
_Distance_constraint_stats_list.Viol_count 1717
_Distance_constraint_stats_list.Viol_total 1008.071
_Distance_constraint_stats_list.Viol_max 0.503
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_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 8 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ALA 0.002 0.002 21 0 "[ . 1 . 2 ]"
1 10 ASP 0.014 0.012 20 0 "[ . 1 . 2 ]"
1 11 GLU 0.092 0.012 13 0 "[ . 1 . 2 ]"
1 12 SER 0.777 0.040 21 0 "[ . 1 . 2 ]"
1 13 ILE 1.069 0.040 21 0 "[ . 1 . 2 ]"
1 14 THR 0.951 0.032 16 0 "[ . 1 . 2 ]"
1 15 ARG 1.664 0.050 19 0 "[ . 1 . 2 ]"
1 16 MET 1.790 0.050 19 0 "[ . 1 . 2 ]"
1 17 ASN 2.943 0.065 21 0 "[ . 1 . 2 ]"
1 18 LEU 1.881 0.065 21 0 "[ . 1 . 2 ]"
1 19 ALA 1.838 0.069 6 0 "[ . 1 . 2 ]"
1 20 ALA 3.014 0.069 6 0 "[ . 1 . 2 ]"
1 21 ILE 0.612 0.036 2 0 "[ . 1 . 2 ]"
1 22 LYS 0.109 0.014 19 0 "[ . 1 . 2 ]"
1 23 LYS 0.765 0.028 2 0 "[ . 1 . 2 ]"
1 24 ILE 0.449 0.028 2 0 "[ . 1 . 2 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PRO 0.021 0.006 8 0 "[ . 1 . 2 ]"
1 27 TYR 0.385 0.054 21 0 "[ . 1 . 2 ]"
1 28 ALA 0.613 0.054 21 0 "[ . 1 . 2 ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLU 0.250 0.027 11 0 "[ . 1 . 2 ]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 VAL 0.177 0.026 11 0 "[ . 1 . 2 ]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 SER 0.509 0.023 8 0 "[ . 1 . 2 ]"
1 35 SER 0.386 0.034 13 0 "[ . 1 . 2 ]"
1 36 SER 1.127 0.061 13 0 "[ . 1 . 2 ]"
1 37 HIS 2.468 0.071 15 0 "[ . 1 . 2 ]"
1 38 VAL 0.211 0.020 4 0 "[ . 1 . 2 ]"
1 39 ALA 0.179 0.030 6 0 "[ . 1 . 2 ]"
1 40 PHE 0.004 0.002 13 0 "[ . 1 . 2 ]"
1 41 TYR 0.832 0.037 14 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 PHE 2.546 0.090 16 0 "[ . 1 . 2 ]"
1 44 ASN 0.379 0.023 13 0 "[ . 1 . 2 ]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 SER 0.005 0.005 13 0 "[ . 1 . 2 ]"
1 47 GLN 0.158 0.015 10 0 "[ . 1 . 2 ]"
1 48 ASN 0.813 0.050 14 0 "[ . 1 . 2 ]"
1 49 GLU 0.239 0.015 10 0 "[ . 1 . 2 ]"
1 50 TRP 1.948 0.059 2 0 "[ . 1 . 2 ]"
1 51 GLU 0.884 0.035 11 0 "[ . 1 . 2 ]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 1.006 0.051 13 0 "[ . 1 . 2 ]"
1 55 VAL 4.859 0.503 5 1 "[ + 1 . 2 ]"
1 56 GLU 0.441 0.033 18 0 "[ . 1 . 2 ]"
1 57 GLY 0.211 0.020 4 0 "[ . 1 . 2 ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 PHE 2.109 0.071 15 0 "[ . 1 . 2 ]"
1 60 PHE 1.118 0.060 17 0 "[ . 1 . 2 ]"
1 61 ILE 0.807 0.032 17 0 "[ . 1 . 2 ]"
1 62 TYR 0.601 0.026 11 0 "[ . 1 . 2 ]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ARG 0.055 0.012 8 0 "[ . 1 . 2 ]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 PHE 0.055 0.012 8 0 "[ . 1 . 2 ]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 SER 0.471 0.023 20 0 "[ . 1 . 2 ]"
1 72 ILE 0.002 0.002 19 0 "[ . 1 . 2 ]"
1 73 PHE 1.540 0.060 17 0 "[ . 1 . 2 ]"
1 74 ILE 0.500 0.046 14 0 "[ . 1 . 2 ]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ASN 0.461 0.033 18 0 "[ . 1 . 2 ]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 ASN 0.213 0.016 1 0 "[ . 1 . 2 ]"
1 80 THR 0.671 0.041 21 0 "[ . 1 . 2 ]"
1 81 THR 0.671 0.041 21 0 "[ . 1 . 2 ]"
1 82 SER 0.020 0.016 6 0 "[ . 1 . 2 ]"
1 83 PHE 3.982 0.503 5 1 "[ + 1 . 2 ]"
1 84 VAL 0.404 0.046 14 0 "[ . 1 . 2 ]"
1 85 GLU 0.565 0.048 18 0 "[ . 1 . 2 ]"
1 86 PRO 0.048 0.048 18 0 "[ . 1 . 2 ]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 GLY 1.231 0.089 20 0 "[ . 1 . 2 ]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 LEU 1.231 0.089 20 0 "[ . 1 . 2 ]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 LEU 0.664 0.048 20 0 "[ . 1 . 2 ]"
1 94 GLN 1.321 0.079 16 0 "[ . 1 . 2 ]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 PRO 0.025 0.025 3 0 "[ . 1 . 2 ]"
1 98 PRO 0.144 0.036 4 0 "[ . 1 . 2 ]"
1 99 PHE 0.169 0.036 4 0 "[ . 1 . 2 ]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 LEU 1.321 0.079 16 0 "[ . 1 . 2 ]"
1 102 TYR 0.048 0.010 16 0 "[ . 1 . 2 ]"
1 103 ARG 0.664 0.048 20 0 "[ . 1 . 2 ]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 ILE 1.500 0.090 16 0 "[ . 1 . 2 ]"
1 110 ARG 0.324 0.028 6 0 "[ . 1 . 2 ]"
1 111 GLY 0.187 0.021 16 0 "[ . 1 . 2 ]"
1 112 PHE 0.041 0.021 16 0 "[ . 1 . 2 ]"
1 113 TRP 0.179 0.030 6 0 "[ . 1 . 2 ]"
1 114 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 116 ASN 0.347 0.035 14 0 "[ . 1 . 2 ]"
1 117 SER 0.100 0.027 14 0 "[ . 1 . 2 ]"
1 118 GLU 0.454 0.035 14 0 "[ . 1 . 2 ]"
1 119 GLU 0.580 0.030 2 0 "[ . 1 . 2 ]"
1 120 CYS 0.630 0.030 2 0 "[ . 1 . 2 ]"
1 121 ASP 0.661 0.046 12 0 "[ . 1 . 2 ]"
1 122 ARG 2.164 0.065 13 0 "[ . 1 . 2 ]"
1 123 ILE 2.365 0.065 13 0 "[ . 1 . 2 ]"
1 124 SER 1.411 0.042 12 0 "[ . 1 . 2 ]"
1 125 GLY 1.908 0.047 1 0 "[ . 1 . 2 ]"
1 126 LEU 2.842 0.068 1 0 "[ . 1 . 2 ]"
1 127 VAL 1.936 0.068 1 0 "[ . 1 . 2 ]"
1 128 ASN 1.440 0.042 8 0 "[ . 1 . 2 ]"
1 129 GLY 1.620 0.042 8 0 "[ . 1 . 2 ]"
1 130 LEU 1.012 0.038 13 0 "[ . 1 . 2 ]"
1 131 LEU 0.969 0.040 3 0 "[ . 1 . 2 ]"
1 132 LYS 0.536 0.040 3 0 "[ . 1 . 2 ]"
1 133 SER 0.002 0.001 4 0 "[ . 1 . 2 ]"
1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 21 LEU 0.182 0.019 2 0 "[ . 1 . 2 ]"
2 22 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 LYS 1.443 0.059 2 0 "[ . 1 . 2 ]"
2 24 PRO 0.573 0.058 8 0 "[ . 1 . 2 ]"
2 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 27 PHE 0.786 0.047 1 0 "[ . 1 . 2 ]"
2 28 TRP 1.103 0.047 1 0 "[ . 1 . 2 ]"
2 29 GLN 0.596 0.026 4 0 "[ . 1 . 2 ]"
2 30 GLN 1.001 0.043 18 0 "[ . 1 . 2 ]"
2 31 GLU 1.710 0.055 6 0 "[ . 1 . 2 ]"
2 32 ALA 1.988 0.062 7 0 "[ . 1 . 2 ]"
2 33 GLN 1.766 0.062 7 0 "[ . 1 . 2 ]"
2 34 LYS 1.235 0.059 19 0 "[ . 1 . 2 ]"
2 35 GLN 0.471 0.036 18 0 "[ . 1 . 2 ]"
2 36 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 38 LEU 0.000 0.000 . 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 8 MET HA 1 9 ALA H 0.000 . 2.700 2.209 2.141 2.480 . 0 0 "[ . 1 . 2 ]" 1
2 1 9 ALA H 1 9 ALA HA 2.700 2.700 7.700 2.889 2.799 2.965 . 0 0 "[ . 1 . 2 ]" 1
3 1 9 ALA H 1 10 ASP H 3.500 3.500 8.500 4.380 3.498 4.638 0.002 21 0 "[ . 1 . 2 ]" 1
4 1 9 ALA HA 1 10 ASP H 0.000 . 2.700 2.258 2.146 2.497 . 0 0 "[ . 1 . 2 ]" 1
5 1 10 ASP H 1 10 ASP HA 2.700 2.700 7.700 2.893 2.798 2.961 . 0 0 "[ . 1 . 2 ]" 1
6 1 10 ASP H 1 11 GLU H 3.500 3.500 8.500 4.421 3.488 4.643 0.012 20 0 "[ . 1 . 2 ]" 1
7 1 10 ASP HA 1 11 GLU H 0.000 . 2.700 2.318 2.147 2.642 . 0 0 "[ . 1 . 2 ]" 1
8 1 11 GLU H 1 12 SER H 0.000 . 2.700 2.677 2.589 2.712 0.012 13 0 "[ . 1 . 2 ]" 1
9 1 11 GLU HA 1 12 SER H 3.200 3.200 8.200 3.529 3.514 3.544 . 0 0 "[ . 1 . 2 ]" 1
10 1 11 GLU HA 1 14 THR H 0.000 . 3.600 3.419 3.352 3.487 . 0 0 "[ . 1 . 2 ]" 1
11 1 12 SER H 1 13 ILE H 0.000 . 2.700 2.730 2.718 2.740 0.040 21 0 "[ . 1 . 2 ]" 1
12 1 12 SER HA 1 13 ILE H 3.200 3.200 8.200 3.541 3.535 3.552 . 0 0 "[ . 1 . 2 ]" 1
13 1 12 SER HA 1 15 ARG H 0.000 . 3.600 3.587 3.512 3.620 0.020 16 0 "[ . 1 . 2 ]" 1
14 1 13 ILE H 1 14 THR H 0.000 . 2.700 2.712 2.676 2.721 0.021 21 0 "[ . 1 . 2 ]" 1
15 1 13 ILE HA 1 14 THR H 3.200 3.200 8.200 3.552 3.544 3.557 . 0 0 "[ . 1 . 2 ]" 1
16 1 13 ILE HA 1 16 MET H 0.000 . 3.600 3.606 3.573 3.632 0.032 16 0 "[ . 1 . 2 ]" 1
17 1 13 ILE HA 1 16 MET QB 0.000 . 4.300 2.952 2.792 2.991 . 0 0 "[ . 1 . 2 ]" 1
18 1 14 THR H 1 15 ARG H 0.000 . 2.700 2.723 2.719 2.732 0.032 16 0 "[ . 1 . 2 ]" 1
19 1 14 THR HA 1 15 ARG H 3.200 3.200 8.200 3.550 3.543 3.573 . 0 0 "[ . 1 . 2 ]" 1
20 1 14 THR HA 1 17 ASN H 0.000 . 3.600 3.609 3.597 3.618 0.018 16 0 "[ . 1 . 2 ]" 1
21 1 14 THR HA 1 17 ASN HB2 0.000 . 4.000 3.046 2.953 3.114 . 0 0 "[ . 1 . 2 ]" 1
22 1 14 THR HA 1 31 ILE MD 0.000 . 4.800 3.859 3.540 4.003 . 0 0 "[ . 1 . 2 ]" 1
23 1 14 THR MG 1 31 ILE MD 0.000 . 4.300 2.902 2.741 2.989 . 0 0 "[ . 1 . 2 ]" 1
24 1 15 ARG H 1 16 MET H 0.000 . 2.700 2.741 2.708 2.750 0.050 19 0 "[ . 1 . 2 ]" 1
25 1 15 ARG HA 1 16 MET H 3.200 3.200 8.200 3.554 3.547 3.557 . 0 0 "[ . 1 . 2 ]" 1
26 1 15 ARG HA 1 18 LEU H 0.000 . 3.600 3.604 3.439 3.618 0.018 7 0 "[ . 1 . 2 ]" 1
27 1 16 MET H 1 17 ASN H 0.000 . 2.700 2.736 2.729 2.741 0.041 16 0 "[ . 1 . 2 ]" 1
28 1 16 MET HA 1 17 ASN H 3.200 3.200 8.200 3.547 3.542 3.554 . 0 0 "[ . 1 . 2 ]" 1
29 1 16 MET HA 1 19 ALA H 0.000 . 3.600 3.513 3.436 3.548 . 0 0 "[ . 1 . 2 ]" 1
30 1 17 ASN H 1 18 LEU H 0.000 . 2.700 2.759 2.753 2.765 0.065 21 0 "[ . 1 . 2 ]" 1
31 1 17 ASN HA 1 18 LEU H 3.200 3.200 8.200 3.563 3.559 3.566 . 0 0 "[ . 1 . 2 ]" 1
32 1 17 ASN HA 1 20 ALA H 0.000 . 3.600 3.636 3.629 3.642 0.042 5 0 "[ . 1 . 2 ]" 1
33 1 17 ASN HA 1 20 ALA MB 0.000 . 4.000 3.040 3.000 3.068 . 0 0 "[ . 1 . 2 ]" 1
34 1 17 ASN HB2 1 31 ILE MD 0.000 . 4.800 2.545 2.270 2.800 . 0 0 "[ . 1 . 2 ]" 1
35 1 17 ASN HB3 1 31 ILE MD 0.000 . 4.800 2.489 2.302 2.660 . 0 0 "[ . 1 . 2 ]" 1
36 1 17 ASN HB3 1 60 PHE HZ 0.000 . 4.000 3.761 3.620 3.983 . 0 0 "[ . 1 . 2 ]" 1
37 1 18 LEU H 1 19 ALA H 0.000 . 2.700 2.719 2.713 2.727 0.027 16 0 "[ . 1 . 2 ]" 1
38 1 18 LEU H 1 31 ILE MD 0.000 . 4.800 2.874 2.460 3.316 . 0 0 "[ . 1 . 2 ]" 1
39 1 18 LEU HA 1 19 ALA H 3.200 3.200 8.200 3.521 3.514 3.525 . 0 0 "[ . 1 . 2 ]" 1
40 1 18 LEU HA 1 21 ILE H 0.000 . 3.600 3.445 3.358 3.555 . 0 0 "[ . 1 . 2 ]" 1
41 1 18 LEU HA 1 21 ILE MD 0.000 . 4.300 1.997 1.971 2.026 . 0 0 "[ . 1 . 2 ]" 1
42 1 18 LEU HA 1 21 ILE MG 0.000 . 4.800 3.681 3.590 3.802 . 0 0 "[ . 1 . 2 ]" 1
43 1 18 LEU MD1 1 21 ILE MD 0.000 . 4.000 2.064 1.997 2.189 . 0 0 "[ . 1 . 2 ]" 1
44 1 18 LEU MD1 1 21 ILE MG 0.000 . 4.800 3.039 2.929 3.193 . 0 0 "[ . 1 . 2 ]" 1
45 1 18 LEU MD1 1 28 ALA MB 0.000 . 4.800 3.167 2.847 3.331 . 0 0 "[ . 1 . 2 ]" 1
46 1 18 LEU MD1 1 30 GLU H 0.000 . 5.300 3.529 3.414 3.721 . 0 0 "[ . 1 . 2 ]" 1
47 1 18 LEU MD1 1 30 GLU HA 0.000 . 4.000 2.437 2.156 2.625 . 0 0 "[ . 1 . 2 ]" 1
48 1 18 LEU MD1 1 30 GLU QB 0.000 . 5.600 4.033 3.728 4.179 . 0 0 "[ . 1 . 2 ]" 1
49 1 18 LEU MD1 1 31 ILE H 0.000 . 4.800 2.845 2.751 2.943 . 0 0 "[ . 1 . 2 ]" 1
50 1 18 LEU MD1 1 31 ILE HA 0.000 . 4.800 3.947 3.854 4.003 . 0 0 "[ . 1 . 2 ]" 1
51 1 18 LEU MD2 1 30 GLU H 0.000 . 5.300 4.442 4.431 4.451 . 0 0 "[ . 1 . 2 ]" 1
52 1 18 LEU MD2 1 31 ILE H 3.200 3.200 4.800 4.030 4.020 4.041 . 0 0 "[ . 1 . 2 ]" 1
53 1 19 ALA H 1 20 ALA H 0.000 . 2.700 2.763 2.758 2.769 0.069 6 0 "[ . 1 . 2 ]" 1
54 1 19 ALA HA 1 20 ALA H 3.200 3.200 8.200 3.570 3.567 3.576 . 0 0 "[ . 1 . 2 ]" 1
55 1 19 ALA HA 1 22 LYS H 0.000 . 3.600 3.604 3.576 3.614 0.014 19 0 "[ . 1 . 2 ]" 1
56 1 20 ALA H 1 21 ILE H 0.000 . 2.700 2.729 2.721 2.736 0.036 2 0 "[ . 1 . 2 ]" 1
57 1 20 ALA HA 1 21 ILE H 3.200 3.200 8.200 3.531 3.526 3.533 . 0 0 "[ . 1 . 2 ]" 1
58 1 20 ALA HA 1 23 LYS H 0.000 . 3.600 3.616 3.603 3.622 0.022 19 0 "[ . 1 . 2 ]" 1
59 1 20 ALA MB 1 75 ASN HD22 0.000 . 4.000 3.373 3.363 3.384 . 0 0 "[ . 1 . 2 ]" 1
60 1 21 ILE H 1 22 LYS H 0.000 . 3.200 2.957 2.950 2.979 . 0 0 "[ . 1 . 2 ]" 1
61 1 21 ILE HA 1 22 LYS H 3.200 3.200 8.200 3.591 3.588 3.598 . 0 0 "[ . 1 . 2 ]" 1
62 1 21 ILE HA 1 24 ILE H 0.000 . 4.000 3.933 3.868 4.007 0.007 2 0 "[ . 1 . 2 ]" 1
63 1 21 ILE MD 1 28 ALA MB 0.000 . 5.600 3.493 3.347 3.689 . 0 0 "[ . 1 . 2 ]" 1
64 1 21 ILE MD 1 31 ILE MD 0.000 . 4.800 1.905 1.880 1.930 . 0 0 "[ . 1 . 2 ]" 1
65 1 21 ILE MD 1 60 PHE HD2 0.000 . 5.300 2.295 2.198 2.388 . 0 0 "[ . 1 . 2 ]" 1
66 1 21 ILE MD 1 62 TYR HD1 0.000 . 4.800 3.385 3.089 3.743 . 0 0 "[ . 1 . 2 ]" 1
67 1 21 ILE QG 1 60 PHE HE2 0.000 . 4.800 4.299 4.293 4.306 . 0 0 "[ . 1 . 2 ]" 1
68 1 21 ILE MG 1 25 ASP QB 0.000 . 5.600 2.702 2.622 2.882 . 0 0 "[ . 1 . 2 ]" 1
69 1 21 ILE MG 1 28 ALA H 0.000 . 4.800 3.871 3.747 3.999 . 0 0 "[ . 1 . 2 ]" 1
70 1 21 ILE MG 1 28 ALA MB 0.000 . 4.300 1.925 1.838 2.043 . 0 0 "[ . 1 . 2 ]" 1
71 1 21 ILE MG 1 31 ILE MD 0.000 . 6.100 4.235 4.231 4.241 . 0 0 "[ . 1 . 2 ]" 1
72 1 21 ILE MG 1 62 TYR HD1 0.000 . 4.800 3.604 3.321 3.859 . 0 0 "[ . 1 . 2 ]" 1
73 1 21 ILE MG 1 62 TYR HE1 0.000 . 4.000 3.024 2.904 3.128 . 0 0 "[ . 1 . 2 ]" 1
74 1 22 LYS H 1 23 LYS H 0.000 . 3.200 2.866 2.830 2.894 . 0 0 "[ . 1 . 2 ]" 1
75 1 22 LYS HA 1 23 LYS H 3.200 3.200 8.200 3.486 3.465 3.502 . 0 0 "[ . 1 . 2 ]" 1
76 1 22 LYS HA 1 25 ASP H 0.000 . 3.600 3.475 3.408 3.544 . 0 0 "[ . 1 . 2 ]" 1
77 1 22 LYS QG 1 28 ALA H 0.000 . 4.300 3.846 3.841 3.854 . 0 0 "[ . 1 . 2 ]" 1
78 1 23 LYS H 1 24 ILE H 0.000 . 2.700 2.721 2.711 2.728 0.028 2 0 "[ . 1 . 2 ]" 1
79 1 23 LYS HA 1 24 ILE H 3.200 3.200 8.200 3.515 3.501 3.522 . 0 0 "[ . 1 . 2 ]" 1
80 1 24 ILE H 1 25 ASP H 0.000 . 2.700 2.051 1.999 2.125 . 0 0 "[ . 1 . 2 ]" 1
81 1 24 ILE HA 1 25 ASP H 3.200 3.200 8.200 3.534 3.530 3.538 . 0 0 "[ . 1 . 2 ]" 1
82 1 24 ILE MD 1 82 SER H 0.000 . 5.300 4.419 4.306 4.440 . 0 0 "[ . 1 . 2 ]" 1
83 1 24 ILE MD 1 82 SER HB2 0.000 . 4.800 3.821 3.556 3.995 . 0 0 "[ . 1 . 2 ]" 1
84 1 24 ILE MD 1 82 SER HB3 0.000 . 4.800 2.716 2.514 3.009 . 0 0 "[ . 1 . 2 ]" 1
85 1 24 ILE MG 1 82 SER HB2 0.000 . 4.000 2.024 1.984 2.045 . 0 0 "[ . 1 . 2 ]" 1
86 1 24 ILE MG 1 82 SER HB3 0.000 . 4.000 2.167 2.016 2.359 . 0 0 "[ . 1 . 2 ]" 1
87 1 24 ILE MG 1 83 PHE H 0.000 . 5.300 4.440 4.426 4.456 . 0 0 "[ . 1 . 2 ]" 1
88 1 25 ASP H 1 25 ASP HA 2.700 2.700 7.700 2.960 2.958 2.962 . 0 0 "[ . 1 . 2 ]" 1
89 1 25 ASP HA 1 26 PRO HD2 0.000 . 2.700 2.543 2.476 2.587 . 0 0 "[ . 1 . 2 ]" 1
90 1 25 ASP HA 1 26 PRO HD3 0.000 . 2.700 2.506 2.451 2.565 . 0 0 "[ . 1 . 2 ]" 1
91 1 25 ASP HA 1 27 TYR H 0.000 . 4.000 3.449 3.390 3.491 . 0 0 "[ . 1 . 2 ]" 1
92 1 25 ASP HB3 1 28 ALA MB 0.000 . 4.000 2.708 2.365 2.841 . 0 0 "[ . 1 . 2 ]" 1
93 1 26 PRO HA 1 27 TYR H 3.200 3.200 8.200 3.485 3.478 3.502 . 0 0 "[ . 1 . 2 ]" 1
94 1 26 PRO HB2 1 27 TYR H 0.000 . 3.200 3.178 3.097 3.206 0.006 8 0 "[ . 1 . 2 ]" 1
95 1 26 PRO HD2 1 27 TYR H 0.000 . 3.200 3.009 2.960 3.083 . 0 0 "[ . 1 . 2 ]" 1
96 1 26 PRO HD3 1 27 TYR H 3.200 3.200 8.200 4.081 4.050 4.127 . 0 0 "[ . 1 . 2 ]" 1
97 1 27 TYR H 1 28 ALA H 0.000 . 2.700 2.674 2.590 2.713 0.013 3 0 "[ . 1 . 2 ]" 1
98 1 27 TYR HA 1 28 ALA H 3.200 3.200 8.200 3.217 3.146 3.342 0.054 21 0 "[ . 1 . 2 ]" 1
99 1 28 ALA H 1 28 ALA HA 2.700 2.700 7.700 2.918 2.848 2.961 . 0 0 "[ . 1 . 2 ]" 1
100 1 28 ALA H 1 29 LYS H 3.500 3.500 8.500 4.511 4.415 4.579 . 0 0 "[ . 1 . 2 ]" 1
101 1 28 ALA HA 1 29 LYS H 0.000 . 2.700 2.199 2.189 2.214 . 0 0 "[ . 1 . 2 ]" 1
102 1 28 ALA HA 1 30 GLU H 0.000 . 4.000 3.988 3.844 4.027 0.027 11 0 "[ . 1 . 2 ]" 1
103 1 28 ALA MB 1 62 TYR HD2 0.000 . 4.300 2.660 2.371 2.924 . 0 0 "[ . 1 . 2 ]" 1
104 1 28 ALA MB 1 62 TYR HE2 0.000 . 4.300 3.605 3.593 3.618 . 0 0 "[ . 1 . 2 ]" 1
105 1 29 LYS H 1 30 GLU H 0.000 . 2.700 2.097 1.921 2.202 . 0 0 "[ . 1 . 2 ]" 1
106 1 29 LYS H 1 64 ARG HA 0.000 . 3.600 3.359 3.200 3.571 . 0 0 "[ . 1 . 2 ]" 1
107 1 29 LYS HA 1 30 GLU H 3.200 3.200 8.200 3.535 3.495 3.546 . 0 0 "[ . 1 . 2 ]" 1
108 1 30 GLU H 1 30 GLU HA 2.700 2.700 7.700 2.946 2.901 2.967 . 0 0 "[ . 1 . 2 ]" 1
109 1 30 GLU H 1 31 ILE H 3.500 3.500 8.500 4.399 4.361 4.438 . 0 0 "[ . 1 . 2 ]" 1
110 1 30 GLU H 1 63 HIS H 0.000 . 3.600 3.321 3.240 3.398 . 0 0 "[ . 1 . 2 ]" 1
111 1 30 GLU H 1 64 ARG HA 0.000 . 4.500 4.126 3.879 4.241 . 0 0 "[ . 1 . 2 ]" 1
112 1 30 GLU HA 1 31 ILE H 0.000 . 2.700 2.243 2.197 2.338 . 0 0 "[ . 1 . 2 ]" 1
113 1 30 GLU QG 1 63 HIS H 0.000 . 4.800 4.002 3.351 4.338 . 0 0 "[ . 1 . 2 ]" 1
114 1 31 ILE H 1 31 ILE HA 2.700 2.700 7.700 2.940 2.922 2.953 . 0 0 "[ . 1 . 2 ]" 1
115 1 31 ILE H 1 32 VAL H 3.500 3.500 8.500 4.505 4.476 4.556 . 0 0 "[ . 1 . 2 ]" 1
116 1 31 ILE HA 1 32 VAL H 0.000 . 2.700 2.174 2.162 2.191 . 0 0 "[ . 1 . 2 ]" 1
117 1 31 ILE HA 1 62 TYR HA 0.000 . 3.600 2.932 2.775 3.030 . 0 0 "[ . 1 . 2 ]" 1
118 1 31 ILE HA 1 63 HIS H 0.000 . 4.000 3.545 3.455 3.591 . 0 0 "[ . 1 . 2 ]" 1
119 1 31 ILE MD 1 60 PHE HD2 0.000 . 4.000 2.380 2.035 2.690 . 0 0 "[ . 1 . 2 ]" 1
120 1 31 ILE MG 1 34 SER HB3 0.000 . 4.800 2.647 2.512 2.809 . 0 0 "[ . 1 . 2 ]" 1
121 1 31 ILE MG 1 60 PHE HA 0.000 . 5.300 3.786 3.627 3.938 . 0 0 "[ . 1 . 2 ]" 1
122 1 31 ILE MG 1 60 PHE QB 0.000 . 4.800 2.975 2.829 3.027 . 0 0 "[ . 1 . 2 ]" 1
123 1 31 ILE MG 1 60 PHE HD2 0.000 . 3.500 2.259 2.124 2.391 . 0 0 "[ . 1 . 2 ]" 1
124 1 31 ILE MG 1 61 ILE H 0.000 . 4.800 3.230 2.982 3.447 . 0 0 "[ . 1 . 2 ]" 1
125 1 31 ILE MG 1 62 TYR HA 0.000 . 4.800 4.005 3.995 4.016 . 0 0 "[ . 1 . 2 ]" 1
126 1 32 VAL H 1 33 ASP H 0.000 . 2.700 2.331 2.308 2.358 . 0 0 "[ . 1 . 2 ]" 1
127 1 32 VAL H 1 61 ILE MG 0.000 . 4.800 3.838 3.730 3.927 . 0 0 "[ . 1 . 2 ]" 1
128 1 32 VAL H 1 62 TYR HA 0.000 . 3.600 3.567 3.326 3.626 0.026 11 0 "[ . 1 . 2 ]" 1
129 1 32 VAL HA 1 33 ASP H 3.200 3.200 8.200 3.556 3.548 3.560 . 0 0 "[ . 1 . 2 ]" 1
130 1 32 VAL HB 1 61 ILE H 0.000 . 4.500 4.452 4.386 4.521 0.021 15 0 "[ . 1 . 2 ]" 1
131 1 32 VAL HB 1 61 ILE MG 0.000 . 4.000 2.728 2.607 2.825 . 0 0 "[ . 1 . 2 ]" 1
132 1 32 VAL MG2 1 63 HIS H 0.000 . 4.300 3.145 2.915 3.258 . 0 0 "[ . 1 . 2 ]" 1
133 1 33 ASP H 1 33 ASP HA 2.700 2.700 7.700 2.907 2.893 2.915 . 0 0 "[ . 1 . 2 ]" 1
134 1 33 ASP H 1 34 SER H 3.500 3.500 8.500 4.357 4.334 4.369 . 0 0 "[ . 1 . 2 ]" 1
135 1 33 ASP H 1 61 ILE H 0.000 . 3.600 3.070 3.005 3.138 . 0 0 "[ . 1 . 2 ]" 1
136 1 33 ASP H 1 61 ILE HB 0.000 . 3.200 2.531 2.394 2.672 . 0 0 "[ . 1 . 2 ]" 1
137 1 33 ASP H 1 61 ILE MG 0.000 . 4.800 3.997 3.905 4.014 . 0 0 "[ . 1 . 2 ]" 1
138 1 33 ASP HA 1 34 SER H 0.000 . 2.700 2.337 2.289 2.376 . 0 0 "[ . 1 . 2 ]" 1
139 1 33 ASP HB2 1 123 ILE MG 0.000 . 5.300 4.452 4.445 4.470 . 0 0 "[ . 1 . 2 ]" 1
140 1 33 ASP HB2 1 126 LEU MD2 0.000 . 4.000 3.340 3.336 3.355 . 0 0 "[ . 1 . 2 ]" 1
141 1 33 ASP HB3 1 61 ILE H 0.000 . 4.500 4.099 4.028 4.174 . 0 0 "[ . 1 . 2 ]" 1
142 1 33 ASP HB3 1 123 ILE MD 0.000 . 4.300 2.042 1.976 2.105 . 0 0 "[ . 1 . 2 ]" 1
143 1 33 ASP HB3 1 123 ILE MG 0.000 . 5.300 3.388 3.336 3.436 . 0 0 "[ . 1 . 2 ]" 1
144 1 34 SER H 1 34 SER HA 2.700 2.700 7.700 2.939 2.933 2.948 . 0 0 "[ . 1 . 2 ]" 1
145 1 34 SER H 1 35 SER H 3.500 3.500 8.500 4.245 4.234 4.261 . 0 0 "[ . 1 . 2 ]" 1
146 1 34 SER H 1 123 ILE MD 0.000 . 5.300 3.339 3.187 3.475 . 0 0 "[ . 1 . 2 ]" 1
147 1 34 SER HA 1 35 SER H 0.000 . 2.700 2.140 2.129 2.151 . 0 0 "[ . 1 . 2 ]" 1
148 1 34 SER HA 1 61 ILE H 0.000 . 3.600 3.600 3.557 3.623 0.023 8 0 "[ . 1 . 2 ]" 1
149 1 34 SER HB3 1 60 PHE HD2 0.000 . 3.200 3.029 2.955 3.092 . 0 0 "[ . 1 . 2 ]" 1
150 1 34 SER HB3 1 60 PHE HE2 0.000 . 3.200 3.206 3.191 3.213 0.013 15 0 "[ . 1 . 2 ]" 1
151 1 34 SER HB3 1 61 ILE H 0.000 . 4.500 4.510 4.503 4.518 0.018 21 0 "[ . 1 . 2 ]" 1
152 1 35 SER H 1 35 SER HA 2.700 2.700 7.700 2.949 2.945 2.953 . 0 0 "[ . 1 . 2 ]" 1
153 1 35 SER H 1 36 SER H 3.500 3.500 8.500 4.422 4.396 4.444 . 0 0 "[ . 1 . 2 ]" 1
154 1 35 SER H 1 59 PHE H 0.000 . 3.600 3.518 3.462 3.594 . 0 0 "[ . 1 . 2 ]" 1
155 1 35 SER H 1 59 PHE HB2 0.000 . 5.000 5.018 5.011 5.034 0.034 13 0 "[ . 1 . 2 ]" 1
156 1 35 SER H 1 59 PHE HB3 0.000 . 4.000 3.440 3.428 3.461 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 SER H 1 59 PHE HD1 0.000 . 3.600 2.757 2.645 2.833 . 0 0 "[ . 1 . 2 ]" 1
158 1 35 SER H 1 123 ILE MD 0.000 . 4.800 3.679 3.536 3.772 . 0 0 "[ . 1 . 2 ]" 1
159 1 35 SER HA 1 36 SER H 0.000 . 2.700 2.163 2.156 2.169 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 SER HA 1 123 ILE MD 0.000 . 4.800 4.002 3.960 4.018 . 0 0 "[ . 1 . 2 ]" 1
161 1 35 SER HB2 1 59 PHE HD1 0.000 . 3.600 3.307 3.069 3.549 . 0 0 "[ . 1 . 2 ]" 1
162 1 35 SER HB3 1 38 VAL MG2 0.000 . 4.800 1.972 1.929 2.113 . 0 0 "[ . 1 . 2 ]" 1
163 1 35 SER HB3 1 59 PHE H 0.000 . 4.000 3.142 3.072 3.330 . 0 0 "[ . 1 . 2 ]" 1
164 1 35 SER HB3 1 59 PHE HD1 0.000 . 3.600 3.001 2.741 3.131 . 0 0 "[ . 1 . 2 ]" 1
165 1 36 SER H 1 37 HIS H 0.000 . 2.700 2.754 2.746 2.761 0.061 13 0 "[ . 1 . 2 ]" 1
166 1 37 HIS HA 1 38 VAL H 0.000 . 2.700 2.105 2.100 2.112 . 0 0 "[ . 1 . 2 ]" 1
167 1 37 HIS HA 1 59 PHE H 0.000 . 4.000 4.064 4.056 4.071 0.071 15 0 "[ . 1 . 2 ]" 1
168 1 38 VAL H 1 38 VAL HA 2.700 2.700 7.700 2.930 2.928 2.932 . 0 0 "[ . 1 . 2 ]" 1
169 1 38 VAL H 1 39 ALA H 3.500 3.500 8.500 4.295 4.262 4.320 . 0 0 "[ . 1 . 2 ]" 1
170 1 38 VAL H 1 57 GLY H 0.000 . 3.600 3.610 3.596 3.620 0.020 4 0 "[ . 1 . 2 ]" 1
171 1 38 VAL HA 1 39 ALA H 0.000 . 2.700 2.225 2.194 2.247 . 0 0 "[ . 1 . 2 ]" 1
172 1 38 VAL MG1 1 57 GLY H 0.000 . 5.800 4.826 4.795 4.837 . 0 0 "[ . 1 . 2 ]" 1
173 1 38 VAL MG1 1 59 PHE HB2 0.000 . 3.600 2.484 2.432 2.587 . 0 0 "[ . 1 . 2 ]" 1
174 1 38 VAL MG1 1 59 PHE HB3 0.000 . 3.600 3.042 3.038 3.056 . 0 0 "[ . 1 . 2 ]" 1
175 1 38 VAL MG1 1 74 ILE MD 0.000 . 4.300 2.988 2.964 2.996 . 0 0 "[ . 1 . 2 ]" 1
176 1 38 VAL MG1 1 112 PHE HA 0.000 . 5.800 3.978 3.795 4.130 . 0 0 "[ . 1 . 2 ]" 1
177 1 38 VAL MG1 1 113 TRP H 0.000 . 5.800 3.463 3.341 3.558 . 0 0 "[ . 1 . 2 ]" 1
178 1 38 VAL MG2 1 59 PHE H 0.000 . 4.800 2.934 2.858 3.010 . 0 0 "[ . 1 . 2 ]" 1
179 1 39 ALA H 1 39 ALA HA 2.700 2.700 7.700 2.965 2.962 2.969 . 0 0 "[ . 1 . 2 ]" 1
180 1 39 ALA H 1 40 PHE H 3.500 3.500 8.500 4.463 4.453 4.476 . 0 0 "[ . 1 . 2 ]" 1
181 1 39 ALA H 1 113 TRP H 0.000 . 3.600 2.991 2.921 3.042 . 0 0 "[ . 1 . 2 ]" 1
182 1 39 ALA H 1 113 TRP HB2 0.000 . 4.500 4.455 4.175 4.530 0.030 6 0 "[ . 1 . 2 ]" 1
183 1 39 ALA H 1 113 TRP HB3 0.000 . 3.500 3.036 2.815 3.156 . 0 0 "[ . 1 . 2 ]" 1
184 1 39 ALA H 1 113 TRP HE3 0.000 . 4.000 3.674 3.248 4.005 0.005 12 0 "[ . 1 . 2 ]" 1
185 1 39 ALA HA 1 40 PHE H 0.000 . 2.700 2.267 2.253 2.280 . 0 0 "[ . 1 . 2 ]" 1
186 1 39 ALA HA 1 56 GLU HA 0.000 . 2.700 2.611 2.560 2.650 . 0 0 "[ . 1 . 2 ]" 1
187 1 39 ALA HA 1 57 GLY H 0.000 . 3.600 3.262 3.224 3.299 . 0 0 "[ . 1 . 2 ]" 1
188 1 39 ALA MB 1 41 TYR QE 0.000 . 3.600 2.547 2.344 2.734 . 0 0 "[ . 1 . 2 ]" 1
189 1 39 ALA MB 1 57 GLY H 0.000 . 4.800 4.026 4.019 4.033 . 0 0 "[ . 1 . 2 ]" 1
190 1 39 ALA MB 1 113 TRP H 0.000 . 4.300 3.606 3.601 3.616 . 0 0 "[ . 1 . 2 ]" 1
191 1 40 PHE H 1 40 PHE HA 2.700 2.700 7.700 2.939 2.933 2.944 . 0 0 "[ . 1 . 2 ]" 1
192 1 40 PHE H 1 41 TYR H 3.500 3.500 8.500 4.498 4.483 4.513 . 0 0 "[ . 1 . 2 ]" 1
193 1 40 PHE H 1 55 VAL HB 0.000 . 3.600 3.553 3.450 3.602 0.002 13 0 "[ . 1 . 2 ]" 1
194 1 40 PHE H 1 55 VAL MG1 0.000 . 4.800 3.824 3.761 3.899 . 0 0 "[ . 1 . 2 ]" 1
195 1 40 PHE HA 1 41 TYR H 0.000 . 2.700 2.156 2.146 2.165 . 0 0 "[ . 1 . 2 ]" 1
196 1 40 PHE QB 1 55 VAL MG2 0.000 . 4.800 3.504 3.355 3.563 . 0 0 "[ . 1 . 2 ]" 1
197 1 41 TYR H 1 41 TYR HA 2.700 2.700 7.700 2.961 2.959 2.964 . 0 0 "[ . 1 . 2 ]" 1
198 1 41 TYR H 1 42 THR H 3.500 3.500 8.500 4.413 4.385 4.426 . 0 0 "[ . 1 . 2 ]" 1
199 1 41 TYR H 1 53 THR MG 0.000 . 4.800 4.005 4.001 4.015 . 0 0 "[ . 1 . 2 ]" 1
200 1 41 TYR H 1 111 GLY H 0.000 . 3.600 3.431 3.366 3.508 . 0 0 "[ . 1 . 2 ]" 1
201 1 41 TYR HA 1 42 THR H 0.000 . 2.700 2.204 2.189 2.215 . 0 0 "[ . 1 . 2 ]" 1
202 1 41 TYR HA 1 50 TRP HE3 0.000 . 5.000 4.412 4.305 4.490 . 0 0 "[ . 1 . 2 ]" 1
203 1 41 TYR HA 1 53 THR H 0.000 . 4.000 2.966 2.919 3.050 . 0 0 "[ . 1 . 2 ]" 1
204 1 41 TYR HA 1 53 THR MG 0.000 . 4.000 2.583 2.502 2.669 . 0 0 "[ . 1 . 2 ]" 1
205 1 41 TYR HB2 1 50 TRP HE3 0.000 . 4.000 4.023 4.005 4.037 0.037 14 0 "[ . 1 . 2 ]" 1
206 1 41 TYR HB3 1 50 TRP HE3 0.000 . 3.600 2.483 2.419 2.544 . 0 0 "[ . 1 . 2 ]" 1
207 1 41 TYR QD 1 51 GLU H 0.000 . 4.000 4.017 4.007 4.035 0.035 11 0 "[ . 1 . 2 ]" 1
208 1 41 TYR QD 1 52 LYS HA 0.000 . 3.600 2.694 2.464 2.948 . 0 0 "[ . 1 . 2 ]" 1
209 1 41 TYR QD 2 18 MET ME 0.000 . 4.800 3.423 3.010 3.998 . 0 0 "[ . 1 . 2 ]" 1
210 1 41 TYR QD 2 21 LEU MD1 0.000 . 4.300 2.592 2.512 2.658 . 0 0 "[ . 1 . 2 ]" 1
211 1 41 TYR QD 2 21 LEU MD2 0.000 . 5.300 3.755 3.542 3.946 . 0 0 "[ . 1 . 2 ]" 1
212 1 41 TYR QE 2 18 MET ME 0.000 . 4.300 2.193 1.848 3.316 . 0 0 "[ . 1 . 2 ]" 1
213 1 41 TYR QE 2 21 LEU MD1 0.000 . 4.800 3.298 3.205 3.393 . 0 0 "[ . 1 . 2 ]" 1
214 1 42 THR H 1 42 THR HA 2.700 2.700 7.700 2.964 2.963 2.966 . 0 0 "[ . 1 . 2 ]" 1
215 1 42 THR H 1 43 PHE H 3.500 3.500 8.500 4.470 4.451 4.481 . 0 0 "[ . 1 . 2 ]" 1
216 1 42 THR H 1 50 TRP HE3 0.000 . 5.000 3.389 3.292 3.468 . 0 0 "[ . 1 . 2 ]" 1
217 1 42 THR H 1 50 TRP HZ3 0.000 . 5.000 4.253 4.108 4.351 . 0 0 "[ . 1 . 2 ]" 1
218 1 42 THR H 1 51 GLU H 0.000 . 4.000 3.473 3.405 3.499 . 0 0 "[ . 1 . 2 ]" 1
219 1 42 THR H 1 51 GLU QB 0.000 . 4.800 3.992 3.921 4.079 . 0 0 "[ . 1 . 2 ]" 1
220 1 42 THR H 1 52 LYS HA 0.000 . 4.000 3.696 3.609 3.790 . 0 0 "[ . 1 . 2 ]" 1
221 1 42 THR HA 1 43 PHE H 0.000 . 2.700 2.289 2.269 2.306 . 0 0 "[ . 1 . 2 ]" 1
222 1 42 THR MG 1 51 GLU H 0.000 . 5.300 4.470 4.462 4.478 . 0 0 "[ . 1 . 2 ]" 1
223 1 43 PHE H 1 43 PHE HA 2.700 2.700 7.700 2.962 2.956 2.968 . 0 0 "[ . 1 . 2 ]" 1
224 1 43 PHE H 1 44 ASN H 3.500 3.500 8.500 4.437 4.417 4.460 . 0 0 "[ . 1 . 2 ]" 1
225 1 43 PHE H 1 109 ILE H 0.000 . 4.000 4.071 4.054 4.090 0.090 16 0 "[ . 1 . 2 ]" 1
226 1 43 PHE H 1 109 ILE MG 0.000 . 4.800 4.017 4.009 4.025 . 0 0 "[ . 1 . 2 ]" 1
227 1 43 PHE H 1 110 ARG HA 0.000 . 3.600 3.254 3.139 3.371 . 0 0 "[ . 1 . 2 ]" 1
228 1 43 PHE HA 1 44 ASN H 0.000 . 2.700 2.146 2.140 2.152 . 0 0 "[ . 1 . 2 ]" 1
229 1 43 PHE HA 1 50 TRP HE3 0.000 . 5.000 3.312 3.250 3.419 . 0 0 "[ . 1 . 2 ]" 1
230 1 43 PHE HB2 1 51 GLU H 0.000 . 5.000 5.008 4.927 5.019 0.019 21 0 "[ . 1 . 2 ]" 1
231 1 43 PHE HB3 1 109 ILE H 0.000 . 4.000 3.744 3.501 3.875 . 0 0 "[ . 1 . 2 ]" 1
232 1 43 PHE HZ 1 48 ASN H 0.000 . 4.000 4.039 4.029 4.050 0.050 14 0 "[ . 1 . 2 ]" 1
233 1 44 ASN H 1 44 ASN HA 2.700 2.700 7.700 2.951 2.947 2.955 . 0 0 "[ . 1 . 2 ]" 1
234 1 44 ASN H 1 45 SER H 3.500 3.500 8.500 4.317 4.307 4.340 . 0 0 "[ . 1 . 2 ]" 1
235 1 44 ASN H 1 49 GLU H 0.000 . 3.600 3.505 3.482 3.531 . 0 0 "[ . 1 . 2 ]" 1
236 1 44 ASN H 1 50 TRP HA 0.000 . 3.600 3.284 3.186 3.369 . 0 0 "[ . 1 . 2 ]" 1
237 1 44 ASN H 1 51 GLU H 0.000 . 4.000 4.012 3.965 4.023 0.023 13 0 "[ . 1 . 2 ]" 1
238 1 44 ASN HA 1 45 SER H 0.000 . 2.700 2.137 2.133 2.142 . 0 0 "[ . 1 . 2 ]" 1
239 1 44 ASN HB3 1 47 GLN H 0.000 . 4.000 3.091 2.999 3.354 . 0 0 "[ . 1 . 2 ]" 1
240 1 44 ASN HB3 1 49 GLU H 0.000 . 3.600 3.593 3.508 3.613 0.013 12 0 "[ . 1 . 2 ]" 1
241 1 45 SER H 1 46 SER H 0.000 . 2.700 2.624 2.603 2.633 . 0 0 "[ . 1 . 2 ]" 1
242 1 45 SER HA 1 46 SER H 3.200 3.200 8.200 3.517 3.492 3.522 . 0 0 "[ . 1 . 2 ]" 1
243 1 45 SER HA 1 48 ASN H 0.000 . 3.600 3.204 3.123 3.260 . 0 0 "[ . 1 . 2 ]" 1
244 1 46 SER H 1 47 GLN H 0.000 . 2.700 2.663 2.645 2.705 0.005 13 0 "[ . 1 . 2 ]" 1
245 1 46 SER HA 1 47 GLN H 3.200 3.200 8.200 3.538 3.534 3.540 . 0 0 "[ . 1 . 2 ]" 1
246 1 47 GLN H 1 48 ASN H 0.000 . 2.700 2.291 2.115 2.325 . 0 0 "[ . 1 . 2 ]" 1
247 1 47 GLN H 1 49 GLU H 0.000 . 4.000 4.002 3.884 4.015 0.015 10 0 "[ . 1 . 2 ]" 1
248 1 47 GLN HA 1 48 ASN H 3.200 3.200 8.200 3.484 3.447 3.489 . 0 0 "[ . 1 . 2 ]" 1
249 1 48 ASN H 1 48 ASN HA 0.000 . 2.700 2.281 2.278 2.284 . 0 0 "[ . 1 . 2 ]" 1
250 1 48 ASN H 1 49 GLU H 0.000 . 2.700 2.527 2.515 2.560 . 0 0 "[ . 1 . 2 ]" 1
251 1 48 ASN HA 1 49 GLU H 0.000 . 3.200 2.707 2.631 2.747 . 0 0 "[ . 1 . 2 ]" 1
252 1 49 GLU H 1 49 GLU HA 2.700 2.700 7.700 2.920 2.909 2.931 . 0 0 "[ . 1 . 2 ]" 1
253 1 49 GLU H 1 50 TRP H 3.500 3.500 8.500 4.381 4.347 4.411 . 0 0 "[ . 1 . 2 ]" 1
254 1 49 GLU HA 1 50 TRP H 0.000 . 2.700 2.329 2.246 2.409 . 0 0 "[ . 1 . 2 ]" 1
255 1 50 TRP H 1 50 TRP HA 2.700 2.700 7.700 2.925 2.907 2.937 . 0 0 "[ . 1 . 2 ]" 1
256 1 50 TRP H 1 50 TRP HD1 0.000 . 3.600 2.971 2.786 3.160 . 0 0 "[ . 1 . 2 ]" 1
257 1 50 TRP H 1 51 GLU H 3.500 3.500 8.500 4.557 4.533 4.582 . 0 0 "[ . 1 . 2 ]" 1
258 1 50 TRP HA 1 51 GLU H 0.000 . 2.700 2.209 2.197 2.220 . 0 0 "[ . 1 . 2 ]" 1
259 1 50 TRP QB 2 18 MET ME 0.000 . 4.300 3.085 2.771 3.198 . 0 0 "[ . 1 . 2 ]" 1
260 1 50 TRP HB2 2 21 LEU MD1 0.000 . 4.300 2.430 2.314 2.489 . 0 0 "[ . 1 . 2 ]" 1
261 1 50 TRP HD1 2 21 LEU HB3 0.000 . 4.000 4.009 4.000 4.019 0.019 2 0 "[ . 1 . 2 ]" 1
262 1 50 TRP HD1 2 21 LEU MD1 0.000 . 4.000 3.369 3.360 3.379 . 0 0 "[ . 1 . 2 ]" 1
263 1 50 TRP HE1 2 23 LYS HA 0.000 . 3.200 3.241 3.222 3.259 0.059 2 0 "[ . 1 . 2 ]" 1
264 1 50 TRP HE1 2 23 LYS QD 0.000 . 4.000 2.903 2.294 3.586 . 0 0 "[ . 1 . 2 ]" 1
265 1 50 TRP HE3 1 110 ARG HA 0.000 . 5.000 4.968 4.892 5.020 0.020 13 0 "[ . 1 . 2 ]" 1
266 1 50 TRP HH2 1 110 ARG H 0.000 . 5.000 4.488 4.403 4.564 . 0 0 "[ . 1 . 2 ]" 1
267 1 50 TRP HH2 1 111 GLY H 0.000 . 4.000 3.998 3.931 4.018 0.018 18 0 "[ . 1 . 2 ]" 1
268 1 50 TRP HH2 2 21 LEU MD1 0.000 . 5.800 4.856 4.846 4.869 . 0 0 "[ . 1 . 2 ]" 1
269 1 50 TRP HZ2 1 101 LEU MD1 0.000 . 4.300 2.664 2.393 2.908 . 0 0 "[ . 1 . 2 ]" 1
270 1 50 TRP HZ2 1 109 ILE MG 0.000 . 4.000 3.329 3.166 3.356 . 0 0 "[ . 1 . 2 ]" 1
271 1 50 TRP HZ3 1 110 ARG H 0.000 . 5.000 4.993 4.928 5.028 0.028 6 0 "[ . 1 . 2 ]" 1
272 1 50 TRP HZ3 1 111 GLY H 0.000 . 3.600 2.827 2.728 2.960 . 0 0 "[ . 1 . 2 ]" 1
273 1 51 GLU H 1 51 GLU HA 2.700 2.700 7.700 2.964 2.962 2.967 . 0 0 "[ . 1 . 2 ]" 1
274 1 51 GLU H 1 52 LYS H 3.500 3.500 8.500 4.330 4.297 4.370 . 0 0 "[ . 1 . 2 ]" 1
275 1 51 GLU HA 1 52 LYS H 0.000 . 2.700 2.163 2.154 2.181 . 0 0 "[ . 1 . 2 ]" 1
276 1 51 GLU HA 2 18 MET ME 0.000 . 4.800 3.517 2.968 4.000 . 0 0 "[ . 1 . 2 ]" 1
277 1 52 LYS H 1 52 LYS HA 2.700 2.700 7.700 2.874 2.866 2.882 . 0 0 "[ . 1 . 2 ]" 1
278 1 52 LYS H 1 53 THR H 3.500 3.500 8.500 4.611 4.597 4.619 . 0 0 "[ . 1 . 2 ]" 1
279 1 52 LYS H 2 18 MET ME 0.000 . 4.800 3.292 2.458 3.970 . 0 0 "[ . 1 . 2 ]" 1
280 1 52 LYS HA 1 53 THR H 0.000 . 2.700 2.225 2.208 2.237 . 0 0 "[ . 1 . 2 ]" 1
281 1 53 THR H 1 53 THR HA 2.700 2.700 7.700 2.927 2.925 2.929 . 0 0 "[ . 1 . 2 ]" 1
282 1 53 THR H 1 54 ASP H 3.500 3.500 8.500 4.535 4.500 4.573 . 0 0 "[ . 1 . 2 ]" 1
283 1 53 THR HA 1 54 ASP H 0.000 . 2.700 2.507 2.390 2.585 . 0 0 "[ . 1 . 2 ]" 1
284 1 53 THR MG 1 55 VAL H 0.000 . 5.800 4.146 4.087 4.232 . 0 0 "[ . 1 . 2 ]" 1
285 1 54 ASP H 1 55 VAL H 0.000 . 2.700 2.734 2.602 2.751 0.051 13 0 "[ . 1 . 2 ]" 1
286 1 54 ASP HA 1 55 VAL H 3.200 3.200 8.200 3.206 3.170 3.462 0.030 9 0 "[ . 1 . 2 ]" 1
287 1 55 VAL H 1 55 VAL HA 2.700 2.700 7.700 2.951 2.875 2.964 . 0 0 "[ . 1 . 2 ]" 1
288 1 55 VAL H 1 56 GLU H 3.500 3.500 8.500 4.179 4.127 4.297 . 0 0 "[ . 1 . 2 ]" 1
289 1 55 VAL HA 1 56 GLU H 0.000 . 2.700 2.159 2.149 2.174 . 0 0 "[ . 1 . 2 ]" 1
290 1 55 VAL MG1 1 74 ILE HB 0.000 . 4.000 3.018 2.765 3.331 . 0 0 "[ . 1 . 2 ]" 1
291 1 55 VAL MG1 1 74 ILE MD 0.000 . 4.700 2.663 2.413 2.977 . 0 0 "[ . 1 . 2 ]" 1
292 1 55 VAL MG1 1 74 ILE MG 0.000 . 4.200 2.331 2.147 2.505 . 0 0 "[ . 1 . 2 ]" 1
293 1 55 VAL MG1 1 83 PHE HB2 0.000 . 4.800 3.198 2.791 3.625 . 0 0 "[ . 1 . 2 ]" 1
294 1 55 VAL MG1 1 83 PHE HB3 0.000 . 4.800 3.049 2.856 3.211 . 0 0 "[ . 1 . 2 ]" 1
295 1 55 VAL MG1 1 83 PHE HD1 0.000 . 4.300 4.290 3.585 4.803 0.503 5 1 "[ + 1 . 2 ]" 1
296 1 56 GLU H 1 56 GLU HA 2.700 2.700 7.700 2.955 2.953 2.958 . 0 0 "[ . 1 . 2 ]" 1
297 1 56 GLU H 1 57 GLY H 3.500 3.500 8.500 4.176 4.135 4.208 . 0 0 "[ . 1 . 2 ]" 1
298 1 56 GLU H 1 76 ASN HA 0.000 . 3.600 3.621 3.609 3.633 0.033 18 0 "[ . 1 . 2 ]" 1
299 1 56 GLU H 1 78 LEU QB 0.000 . 4.800 4.285 4.277 4.296 . 0 0 "[ . 1 . 2 ]" 1
300 1 56 GLU H 1 78 LEU MD1 0.000 . 4.800 4.005 4.000 4.010 . 0 0 "[ . 1 . 2 ]" 1
301 1 56 GLU HA 1 57 GLY H 0.000 . 2.700 2.188 2.182 2.196 . 0 0 "[ . 1 . 2 ]" 1
302 1 57 GLY H 1 58 ALA H 3.500 3.500 8.500 4.381 4.379 4.384 . 0 0 "[ . 1 . 2 ]" 1
303 1 57 GLY H 1 74 ILE MG 0.000 . 5.300 3.241 3.117 3.433 . 0 0 "[ . 1 . 2 ]" 1
304 1 57 GLY HA2 1 58 ALA H 0.000 . 2.700 2.476 2.470 2.482 . 0 0 "[ . 1 . 2 ]" 1
305 1 57 GLY HA3 1 58 ALA H 0.000 . 2.700 2.588 2.583 2.594 . 0 0 "[ . 1 . 2 ]" 1
306 1 57 GLY HA3 1 77 ARG H 0.000 . 3.600 3.126 3.059 3.191 . 0 0 "[ . 1 . 2 ]" 1
307 1 58 ALA H 1 58 ALA HA 2.700 2.700 7.700 2.907 2.899 2.913 . 0 0 "[ . 1 . 2 ]" 1
308 1 58 ALA H 1 59 PHE H 3.500 3.500 8.500 4.584 4.569 4.593 . 0 0 "[ . 1 . 2 ]" 1
309 1 58 ALA H 1 74 ILE MG 0.000 . 4.800 3.632 3.576 3.677 . 0 0 "[ . 1 . 2 ]" 1
310 1 58 ALA H 1 75 ASN H 0.000 . 4.000 3.374 3.277 3.423 . 0 0 "[ . 1 . 2 ]" 1
311 1 58 ALA H 1 75 ASN HB2 0.000 . 5.000 4.206 4.137 4.314 . 0 0 "[ . 1 . 2 ]" 1
312 1 58 ALA H 1 75 ASN HB3 0.000 . 4.000 2.951 2.892 3.055 . 0 0 "[ . 1 . 2 ]" 1
313 1 58 ALA H 1 77 ARG H 0.000 . 4.500 4.176 4.124 4.239 . 0 0 "[ . 1 . 2 ]" 1
314 1 58 ALA HA 1 59 PHE H 0.000 . 2.700 2.224 2.215 2.235 . 0 0 "[ . 1 . 2 ]" 1
315 1 58 ALA MB 1 60 PHE HD1 0.000 . 4.000 2.961 2.890 3.044 . 0 0 "[ . 1 . 2 ]" 1
316 1 58 ALA MB 1 60 PHE HE1 0.000 . 3.600 1.807 1.799 1.812 . 0 0 "[ . 1 . 2 ]" 1
317 1 58 ALA MB 1 75 ASN H 0.000 . 4.800 3.618 3.548 3.660 . 0 0 "[ . 1 . 2 ]" 1
318 1 58 ALA MB 1 75 ASN HB2 0.000 . 4.800 3.577 3.518 3.673 . 0 0 "[ . 1 . 2 ]" 1
319 1 58 ALA MB 1 75 ASN HB3 0.000 . 4.300 3.056 2.995 3.146 . 0 0 "[ . 1 . 2 ]" 1
320 1 59 PHE H 1 59 PHE HA 2.700 2.700 7.700 2.959 2.954 2.964 . 0 0 "[ . 1 . 2 ]" 1
321 1 59 PHE H 1 60 PHE H 3.500 3.500 8.500 4.449 4.417 4.466 . 0 0 "[ . 1 . 2 ]" 1
322 1 59 PHE HA 1 60 PHE H 0.000 . 2.700 2.158 2.149 2.168 . 0 0 "[ . 1 . 2 ]" 1
323 1 59 PHE HA 1 74 ILE MG 0.000 . 5.300 3.061 2.988 3.142 . 0 0 "[ . 1 . 2 ]" 1
324 1 59 PHE HB2 1 74 ILE MD 0.000 . 4.000 3.350 3.344 3.356 . 0 0 "[ . 1 . 2 ]" 1
325 1 59 PHE HD1 1 61 ILE H 0.000 . 4.500 4.357 4.333 4.388 . 0 0 "[ . 1 . 2 ]" 1
326 1 59 PHE HD1 1 123 ILE MD 0.000 . 3.600 3.022 3.008 3.031 . 0 0 "[ . 1 . 2 ]" 1
327 1 59 PHE HD2 1 72 ILE MG 0.000 . 4.000 3.332 3.295 3.344 . 0 0 "[ . 1 . 2 ]" 1
328 1 59 PHE HE1 1 61 ILE H 0.000 . 4.000 4.018 4.007 4.032 0.032 17 0 "[ . 1 . 2 ]" 1
329 1 59 PHE HE1 1 123 ILE MD 0.000 . 4.000 2.517 2.285 2.824 . 0 0 "[ . 1 . 2 ]" 1
330 1 59 PHE HE1 1 123 ILE MG 0.000 . 3.600 2.018 2.005 2.032 . 0 0 "[ . 1 . 2 ]" 1
331 1 59 PHE HE2 1 72 ILE MD 0.000 . 4.300 3.169 3.087 3.232 . 0 0 "[ . 1 . 2 ]" 1
332 1 59 PHE HE2 1 72 ILE MG 0.000 . 4.000 1.962 1.916 2.073 . 0 0 "[ . 1 . 2 ]" 1
333 1 60 PHE H 1 60 PHE HA 2.700 2.700 7.700 2.960 2.955 2.967 . 0 0 "[ . 1 . 2 ]" 1
334 1 60 PHE H 1 61 ILE H 3.500 3.500 8.500 4.376 4.364 4.388 . 0 0 "[ . 1 . 2 ]" 1
335 1 60 PHE H 1 72 ILE MG 0.000 . 5.800 3.858 3.769 3.907 . 0 0 "[ . 1 . 2 ]" 1
336 1 60 PHE H 1 73 PHE H 0.000 . 3.600 3.594 3.534 3.611 0.011 11 0 "[ . 1 . 2 ]" 1
337 1 60 PHE H 1 73 PHE HB3 0.000 . 4.000 4.043 4.012 4.060 0.060 17 0 "[ . 1 . 2 ]" 1
338 1 60 PHE H 1 74 ILE HA 0.000 . 3.600 3.315 3.272 3.394 . 0 0 "[ . 1 . 2 ]" 1
339 1 60 PHE H 1 74 ILE QG 0.000 . 4.800 3.602 3.423 3.721 . 0 0 "[ . 1 . 2 ]" 1
340 1 60 PHE HA 1 61 ILE H 0.000 . 2.700 2.208 2.196 2.223 . 0 0 "[ . 1 . 2 ]" 1
341 1 61 ILE H 1 61 ILE HA 2.700 2.700 7.700 2.950 2.947 2.952 . 0 0 "[ . 1 . 2 ]" 1
342 1 61 ILE H 1 62 TYR H 3.500 3.500 8.500 4.472 4.463 4.482 . 0 0 "[ . 1 . 2 ]" 1
343 1 61 ILE H 1 123 ILE MD 0.000 . 5.300 4.447 4.436 4.463 . 0 0 "[ . 1 . 2 ]" 1
344 1 61 ILE HA 1 62 TYR H 0.000 . 2.700 2.184 2.177 2.191 . 0 0 "[ . 1 . 2 ]" 1
345 1 61 ILE HA 1 73 PHE H 0.000 . 3.600 3.374 3.309 3.502 . 0 0 "[ . 1 . 2 ]" 1
346 1 61 ILE MG 1 70 HIS HD2 0.000 . 4.800 3.851 3.545 3.998 . 0 0 "[ . 1 . 2 ]" 1
347 1 61 ILE MG 1 71 SER H 0.000 . 4.800 3.854 3.774 3.939 . 0 0 "[ . 1 . 2 ]" 1
348 1 62 TYR H 1 62 TYR HA 2.700 2.700 7.700 2.963 2.960 2.966 . 0 0 "[ . 1 . 2 ]" 1
349 1 62 TYR H 1 63 HIS H 3.500 3.500 8.500 4.462 4.448 4.476 . 0 0 "[ . 1 . 2 ]" 1
350 1 62 TYR H 1 71 SER H 0.000 . 3.600 3.587 3.514 3.618 0.018 21 0 "[ . 1 . 2 ]" 1
351 1 62 TYR H 1 71 SER HB3 0.000 . 4.500 4.518 4.512 4.523 0.023 20 0 "[ . 1 . 2 ]" 1
352 1 62 TYR H 1 72 ILE HA 0.000 . 3.600 2.978 2.915 3.016 . 0 0 "[ . 1 . 2 ]" 1
353 1 62 TYR H 1 72 ILE MG 0.000 . 5.300 4.461 4.455 4.470 . 0 0 "[ . 1 . 2 ]" 1
354 1 62 TYR HA 1 63 HIS H 0.000 . 2.700 2.150 2.139 2.160 . 0 0 "[ . 1 . 2 ]" 1
355 1 63 HIS H 1 63 HIS HA 2.700 2.700 7.700 2.957 2.950 2.962 . 0 0 "[ . 1 . 2 ]" 1
356 1 63 HIS H 1 64 ARG H 3.500 3.500 8.500 4.473 4.430 4.498 . 0 0 "[ . 1 . 2 ]" 1
357 1 63 HIS HA 1 64 ARG H 0.000 . 2.700 2.213 2.187 2.230 . 0 0 "[ . 1 . 2 ]" 1
358 1 64 ARG H 1 64 ARG HA 2.700 2.700 7.700 2.933 2.925 2.939 . 0 0 "[ . 1 . 2 ]" 1
359 1 64 ARG H 1 65 ASN H 3.500 3.500 8.500 4.363 4.348 4.392 . 0 0 "[ . 1 . 2 ]" 1
360 1 64 ARG H 1 69 PHE HA 0.000 . 4.000 3.979 3.885 4.012 0.012 8 0 "[ . 1 . 2 ]" 1
361 1 64 ARG HA 1 65 ASN H 0.000 . 2.700 2.255 2.230 2.291 . 0 0 "[ . 1 . 2 ]" 1
362 1 65 ASN H 1 66 ALA H 0.000 . 3.200 2.997 2.982 3.013 . 0 0 "[ . 1 . 2 ]" 1
363 1 65 ASN HA 1 66 ALA H 2.700 2.700 7.700 2.995 2.988 3.002 . 0 0 "[ . 1 . 2 ]" 1
364 1 66 ALA H 1 66 ALA HA 2.700 2.700 7.700 2.888 2.884 2.894 . 0 0 "[ . 1 . 2 ]" 1
365 1 66 ALA H 1 69 PHE HA 3.200 3.200 4.500 3.568 3.401 3.712 . 0 0 "[ . 1 . 2 ]" 1
366 1 66 ALA HA 1 67 GLU H 0.000 . 2.700 2.431 2.311 2.525 . 0 0 "[ . 1 . 2 ]" 1
367 1 67 GLU H 1 67 GLU HA 2.700 2.700 7.700 2.802 2.797 2.805 . 0 0 "[ . 1 . 2 ]" 1
368 1 67 GLU H 1 68 PRO HD2 3.500 3.500 8.500 5.686 5.633 5.907 . 0 0 "[ . 1 . 2 ]" 1
369 1 67 GLU H 1 68 PRO HD3 3.500 3.500 8.500 5.889 5.699 5.979 . 0 0 "[ . 1 . 2 ]" 1
370 1 67 GLU HA 1 68 PRO HA 0.000 . 2.700 2.240 2.114 2.366 . 0 0 "[ . 1 . 2 ]" 1
371 1 67 GLU HA 1 69 PHE H 0.000 . 3.200 2.874 2.829 2.934 . 0 0 "[ . 1 . 2 ]" 1
372 1 68 PRO HA 1 69 PHE H 0.000 . 2.700 2.224 2.219 2.232 . 0 0 "[ . 1 . 2 ]" 1
373 1 69 PHE H 1 69 PHE HA 2.700 2.700 7.700 2.831 2.816 2.848 . 0 0 "[ . 1 . 2 ]" 1
374 1 69 PHE HA 1 70 HIS H 3.200 3.200 8.200 3.546 3.530 3.562 . 0 0 "[ . 1 . 2 ]" 1
375 1 70 HIS HA 1 71 SER H 0.000 . 2.700 2.193 2.175 2.205 . 0 0 "[ . 1 . 2 ]" 1
376 1 70 HIS QB 1 130 LEU MD1 0.000 . 4.800 2.904 2.548 3.272 . 0 0 "[ . 1 . 2 ]" 1
377 1 70 HIS HB2 1 87 ILE MD 0.000 . 3.600 2.661 2.378 2.975 . 0 0 "[ . 1 . 2 ]" 1
378 1 70 HIS HB3 1 87 ILE MD 0.000 . 3.600 2.098 2.032 2.220 . 0 0 "[ . 1 . 2 ]" 1
379 1 70 HIS HB3 1 130 LEU MD2 0.000 . 4.800 3.999 3.987 4.002 . 0 0 "[ . 1 . 2 ]" 1
380 1 70 HIS HE1 1 130 LEU MD2 0.000 . 4.300 3.312 2.971 3.579 . 0 0 "[ . 1 . 2 ]" 1
381 1 71 SER H 1 71 SER HA 2.700 2.700 7.700 2.908 2.907 2.909 . 0 0 "[ . 1 . 2 ]" 1
382 1 71 SER H 1 72 ILE H 3.500 3.500 8.500 4.346 4.338 4.353 . 0 0 "[ . 1 . 2 ]" 1
383 1 71 SER H 1 87 ILE MD 0.000 . 4.800 3.168 2.913 3.315 . 0 0 "[ . 1 . 2 ]" 1
384 1 71 SER HA 1 72 ILE H 0.000 . 2.700 2.288 2.272 2.304 . 0 0 "[ . 1 . 2 ]" 1
385 1 71 SER HA 1 87 ILE H 0.000 . 3.600 2.535 2.471 2.590 . 0 0 "[ . 1 . 2 ]" 1
386 1 71 SER HA 1 87 ILE MD 0.000 . 4.800 3.101 2.906 3.193 . 0 0 "[ . 1 . 2 ]" 1
387 1 72 ILE H 1 72 ILE HA 2.700 2.700 7.700 2.962 2.955 2.966 . 0 0 "[ . 1 . 2 ]" 1
388 1 72 ILE H 1 73 PHE H 3.500 3.500 8.500 4.460 4.440 4.483 . 0 0 "[ . 1 . 2 ]" 1
389 1 72 ILE H 1 85 GLU H 0.000 . 3.600 3.510 3.427 3.602 0.002 19 0 "[ . 1 . 2 ]" 1
390 1 72 ILE H 1 86 PRO HA 0.000 . 3.600 3.426 3.351 3.535 . 0 0 "[ . 1 . 2 ]" 1
391 1 72 ILE HA 1 73 PHE H 0.000 . 2.700 2.191 2.182 2.202 . 0 0 "[ . 1 . 2 ]" 1
392 1 72 ILE MD 1 87 ILE H 0.000 . 5.800 4.837 4.834 4.841 . 0 0 "[ . 1 . 2 ]" 1
393 1 73 PHE H 1 73 PHE HA 2.700 2.700 7.700 2.957 2.956 2.959 . 0 0 "[ . 1 . 2 ]" 1
394 1 73 PHE H 1 74 ILE H 3.500 3.500 8.500 4.377 4.366 4.382 . 0 0 "[ . 1 . 2 ]" 1
395 1 73 PHE HA 1 74 ILE H 0.000 . 2.700 2.211 2.186 2.227 . 0 0 "[ . 1 . 2 ]" 1
396 1 73 PHE HA 1 84 VAL HA 0.000 . 2.700 2.575 2.457 2.718 0.018 19 0 "[ . 1 . 2 ]" 1
397 1 73 PHE HA 1 85 GLU H 0.000 . 3.600 3.624 3.591 3.639 0.039 5 0 "[ . 1 . 2 ]" 1
398 1 74 ILE H 1 74 ILE HA 2.700 2.700 7.700 2.963 2.960 2.966 . 0 0 "[ . 1 . 2 ]" 1
399 1 74 ILE H 1 75 ASN H 3.500 3.500 8.500 4.326 4.302 4.351 . 0 0 "[ . 1 . 2 ]" 1
400 1 74 ILE H 1 83 PHE H 0.000 . 3.600 3.561 3.448 3.610 0.010 7 0 "[ . 1 . 2 ]" 1
401 1 74 ILE H 1 83 PHE HB3 0.000 . 3.600 3.406 3.064 3.622 0.022 5 0 "[ . 1 . 2 ]" 1
402 1 74 ILE H 1 84 VAL HA 0.000 . 3.600 3.608 3.562 3.646 0.046 14 0 "[ . 1 . 2 ]" 1
403 1 74 ILE HA 1 75 ASN H 0.000 . 2.700 2.101 2.090 2.111 . 0 0 "[ . 1 . 2 ]" 1
404 1 74 ILE HB 1 83 PHE H 0.000 . 4.500 4.151 4.029 4.254 . 0 0 "[ . 1 . 2 ]" 1
405 1 74 ILE HB 1 83 PHE HB3 0.000 . 4.000 2.603 2.224 2.960 . 0 0 "[ . 1 . 2 ]" 1
406 1 75 ASN H 1 75 ASN HA 2.700 2.700 7.700 2.938 2.929 2.946 . 0 0 "[ . 1 . 2 ]" 1
407 1 75 ASN H 1 76 ASN H 3.500 3.500 8.500 4.168 4.147 4.187 . 0 0 "[ . 1 . 2 ]" 1
408 1 75 ASN HA 1 76 ASN H 0.000 . 2.700 2.201 2.192 2.210 . 0 0 "[ . 1 . 2 ]" 1
409 1 76 ASN H 1 76 ASN HA 2.700 2.700 7.700 2.865 2.858 2.878 . 0 0 "[ . 1 . 2 ]" 1
410 1 76 ASN H 1 77 ARG H 3.500 3.500 8.500 4.410 4.398 4.431 . 0 0 "[ . 1 . 2 ]" 1
411 1 76 ASN H 1 82 SER HA 0.000 . 3.600 3.471 3.221 3.616 0.016 6 0 "[ . 1 . 2 ]" 1
412 1 76 ASN HA 1 77 ARG H 0.000 . 2.700 2.159 2.125 2.171 . 0 0 "[ . 1 . 2 ]" 1
413 1 77 ARG H 1 77 ARG HA 2.700 2.700 7.700 2.880 2.872 2.886 . 0 0 "[ . 1 . 2 ]" 1
414 1 77 ARG H 1 78 LEU H 0.000 . 2.700 2.501 2.462 2.586 . 0 0 "[ . 1 . 2 ]" 1
415 1 77 ARG HA 1 78 LEU H 3.200 3.200 8.200 3.542 3.528 3.563 . 0 0 "[ . 1 . 2 ]" 1
416 1 78 LEU H 1 78 LEU HA 2.700 2.700 7.700 2.859 2.841 2.873 . 0 0 "[ . 1 . 2 ]" 1
417 1 78 LEU H 1 79 ASN H 0.000 . 2.700 2.611 2.569 2.659 . 0 0 "[ . 1 . 2 ]" 1
418 1 78 LEU HA 1 79 ASN H 3.200 3.200 8.200 3.560 3.551 3.580 . 0 0 "[ . 1 . 2 ]" 1
419 1 79 ASN H 1 79 ASN HA 2.700 2.700 7.700 2.930 2.927 2.937 . 0 0 "[ . 1 . 2 ]" 1
420 1 79 ASN HB2 1 79 ASN HD21 0.000 . 2.700 2.598 2.561 2.707 0.007 14 0 "[ . 1 . 2 ]" 1
421 1 79 ASN HB3 1 79 ASN HD21 0.000 . 2.700 2.683 2.575 2.716 0.016 1 0 "[ . 1 . 2 ]" 1
422 1 80 THR HA 1 81 THR H 0.000 . 2.700 2.732 2.721 2.741 0.041 21 0 "[ . 1 . 2 ]" 1
423 1 81 THR H 1 81 THR HA 2.700 2.700 7.700 2.961 2.949 2.965 . 0 0 "[ . 1 . 2 ]" 1
424 1 81 THR H 1 82 SER H 3.500 3.500 8.500 4.420 4.328 4.455 . 0 0 "[ . 1 . 2 ]" 1
425 1 81 THR HA 1 82 SER H 0.000 . 2.700 2.232 2.155 2.285 . 0 0 "[ . 1 . 2 ]" 1
426 1 82 SER H 1 82 SER HA 2.700 2.700 7.700 2.922 2.864 2.949 . 0 0 "[ . 1 . 2 ]" 1
427 1 82 SER H 1 83 PHE H 3.500 3.500 8.500 4.526 4.489 4.571 . 0 0 "[ . 1 . 2 ]" 1
428 1 82 SER HA 1 83 PHE H 0.000 . 2.700 2.184 2.165 2.215 . 0 0 "[ . 1 . 2 ]" 1
429 1 83 PHE H 1 83 PHE HA 2.700 2.700 7.700 2.967 2.952 2.974 . 0 0 "[ . 1 . 2 ]" 1
430 1 83 PHE H 1 84 VAL H 3.500 3.500 8.500 4.277 4.197 4.338 . 0 0 "[ . 1 . 2 ]" 1
431 1 83 PHE HA 1 84 VAL H 0.000 . 2.700 2.164 2.148 2.181 . 0 0 "[ . 1 . 2 ]" 1
432 1 84 VAL H 1 84 VAL HA 2.700 2.700 7.700 2.965 2.961 2.970 . 0 0 "[ . 1 . 2 ]" 1
433 1 84 VAL H 1 85 GLU H 3.500 3.500 8.500 4.454 4.443 4.467 . 0 0 "[ . 1 . 2 ]" 1
434 1 84 VAL HA 1 85 GLU H 0.000 . 2.700 2.238 2.227 2.258 . 0 0 "[ . 1 . 2 ]" 1
435 1 85 GLU H 1 85 GLU HA 2.700 2.700 7.700 2.922 2.917 2.929 . 0 0 "[ . 1 . 2 ]" 1
436 1 85 GLU H 1 86 PRO HD2 3.200 3.200 8.200 4.984 4.928 5.198 . 0 0 "[ . 1 . 2 ]" 1
437 1 85 GLU H 1 86 PRO HD3 3.200 3.200 8.200 4.535 4.266 4.672 . 0 0 "[ . 1 . 2 ]" 1
438 1 85 GLU HA 1 86 PRO HD2 0.000 . 2.700 2.461 2.391 2.748 0.048 18 0 "[ . 1 . 2 ]" 1
439 1 85 GLU HA 1 86 PRO HD3 0.000 . 2.700 2.387 2.098 2.450 . 0 0 "[ . 1 . 2 ]" 1
440 1 86 PRO HA 1 87 ILE H 0.000 . 2.700 2.303 2.296 2.313 . 0 0 "[ . 1 . 2 ]" 1
441 1 87 ILE H 1 87 ILE HA 2.700 2.700 7.700 2.926 2.915 2.933 . 0 0 "[ . 1 . 2 ]" 1
442 1 87 ILE H 1 88 THR H 3.500 3.500 8.500 4.485 4.328 4.559 . 0 0 "[ . 1 . 2 ]" 1
443 1 87 ILE HA 1 88 THR H 0.000 . 2.700 2.161 2.142 2.195 . 0 0 "[ . 1 . 2 ]" 1
444 1 87 ILE MD 1 127 VAL HA 0.000 . 5.300 4.088 3.854 4.280 . 0 0 "[ . 1 . 2 ]" 1
445 1 87 ILE MD 1 127 VAL MG2 0.000 . 4.800 3.339 3.335 3.343 . 0 0 "[ . 1 . 2 ]" 1
446 1 87 ILE MD 1 130 LEU MD1 0.000 . 4.800 2.710 2.454 2.927 . 0 0 "[ . 1 . 2 ]" 1
447 1 88 THR H 1 88 THR HA 2.700 2.700 7.700 2.946 2.939 2.952 . 0 0 "[ . 1 . 2 ]" 1
448 1 88 THR HA 1 89 GLY H 0.000 . 2.700 2.365 2.330 2.421 . 0 0 "[ . 1 . 2 ]" 1
449 1 89 GLY HA2 1 91 LEU H 0.000 . 3.600 3.659 3.630 3.689 0.089 20 0 "[ . 1 . 2 ]" 1
450 1 90 SER H 1 91 LEU H 0.000 . 3.200 2.167 2.036 2.730 . 0 0 "[ . 1 . 2 ]" 1
451 1 90 SER H 1 131 LEU MD2 0.000 . 4.800 3.984 3.882 4.024 . 0 0 "[ . 1 . 2 ]" 1
452 1 90 SER HA 1 91 LEU H 3.200 3.200 8.200 3.427 3.216 3.510 . 0 0 "[ . 1 . 2 ]" 1
453 1 91 LEU H 1 92 GLU H 3.500 3.500 8.500 4.614 4.570 4.634 . 0 0 "[ . 1 . 2 ]" 1
454 1 92 GLU H 1 92 GLU HA 2.700 2.700 7.700 2.964 2.958 2.967 . 0 0 "[ . 1 . 2 ]" 1
455 1 92 GLU H 1 93 LEU H 3.500 3.500 8.500 4.451 4.406 4.510 . 0 0 "[ . 1 . 2 ]" 1
456 1 92 GLU HA 1 93 LEU H 0.000 . 2.700 2.201 2.181 2.228 . 0 0 "[ . 1 . 2 ]" 1
457 1 93 LEU H 1 93 LEU HA 2.700 2.700 7.700 2.966 2.960 2.969 . 0 0 "[ . 1 . 2 ]" 1
458 1 93 LEU H 1 94 GLN H 3.500 3.500 8.500 4.518 4.497 4.535 . 0 0 "[ . 1 . 2 ]" 1
459 1 93 LEU HA 1 94 GLN H 0.000 . 2.700 2.323 2.293 2.359 . 0 0 "[ . 1 . 2 ]" 1
460 1 93 LEU HA 1 102 TYR HA 0.000 . 2.700 2.495 2.460 2.526 . 0 0 "[ . 1 . 2 ]" 1
461 1 93 LEU HA 1 102 TYR HB2 0.000 . 5.800 3.204 3.008 3.324 . 0 0 "[ . 1 . 2 ]" 1
462 1 93 LEU HA 1 103 ARG H 0.000 . 3.600 3.632 3.610 3.648 0.048 20 0 "[ . 1 . 2 ]" 1
463 1 93 LEU QD 1 124 SER QB 0.000 . 5.500 3.606 3.320 3.642 . 0 0 "[ . 1 . 2 ]" 1
464 1 93 LEU MD2 1 103 ARG H 0.000 . 4.300 3.584 3.513 3.602 . 0 0 "[ . 1 . 2 ]" 1
465 1 94 GLN H 1 94 GLN HA 2.700 2.700 7.700 2.922 2.917 2.939 . 0 0 "[ . 1 . 2 ]" 1
466 1 94 GLN H 1 95 SER H 3.500 3.500 8.500 4.294 4.278 4.322 . 0 0 "[ . 1 . 2 ]" 1
467 1 94 GLN H 1 100 LEU MD1 0.000 . 4.300 3.591 3.582 3.595 . 0 0 "[ . 1 . 2 ]" 1
468 1 94 GLN H 1 101 LEU H 0.000 . 3.600 3.663 3.648 3.679 0.079 16 0 "[ . 1 . 2 ]" 1
469 1 94 GLN H 1 102 TYR HA 0.000 . 3.600 3.195 3.115 3.228 . 0 0 "[ . 1 . 2 ]" 1
470 1 94 GLN H 1 102 TYR QB 0.000 . 4.300 3.750 3.587 3.847 . 0 0 "[ . 1 . 2 ]" 1
471 1 94 GLN HA 1 95 SER H 0.000 . 2.700 2.254 2.214 2.294 . 0 0 "[ . 1 . 2 ]" 1
472 1 94 GLN QB 2 28 TRP HE1 0.000 . 4.800 4.280 4.187 4.299 . 0 0 "[ . 1 . 2 ]" 1
473 1 94 GLN HE22 1 101 LEU MD2 0.000 . 4.000 3.332 3.213 3.347 . 0 0 "[ . 1 . 2 ]" 1
474 1 95 SER H 1 95 SER HA 2.700 2.700 7.700 2.952 2.940 2.972 . 0 0 "[ . 1 . 2 ]" 1
475 1 95 SER H 1 96 GLN H 3.500 3.500 8.500 4.218 4.140 4.252 . 0 0 "[ . 1 . 2 ]" 1
476 1 95 SER HA 1 96 GLN H 0.000 . 2.700 2.164 2.159 2.172 . 0 0 "[ . 1 . 2 ]" 1
477 1 95 SER HA 1 101 LEU H 0.000 . 3.600 3.304 3.133 3.490 . 0 0 "[ . 1 . 2 ]" 1
478 1 96 GLN H 1 96 GLN HA 2.700 2.700 7.700 2.954 2.947 2.957 . 0 0 "[ . 1 . 2 ]" 1
479 1 96 GLN H 1 97 PRO HD2 3.500 3.500 8.500 4.991 4.851 5.300 . 0 0 "[ . 1 . 2 ]" 1
480 1 96 GLN H 1 97 PRO HD3 3.500 3.500 8.500 4.411 4.205 4.765 . 0 0 "[ . 1 . 2 ]" 1
481 1 96 GLN H 1 100 LEU MD1 0.000 . 4.300 3.578 3.256 3.606 . 0 0 "[ . 1 . 2 ]" 1
482 1 96 GLN HE21 1 101 LEU MD2 0.000 . 4.300 2.511 2.129 3.584 . 0 0 "[ . 1 . 2 ]" 1
483 1 96 GLN HE22 1 101 LEU MD2 0.000 . 4.300 3.591 3.571 3.603 . 0 0 "[ . 1 . 2 ]" 1
484 1 96 GLN QG 2 28 TRP HE1 0.000 . 4.000 3.593 3.575 3.621 . 0 0 "[ . 1 . 2 ]" 1
485 1 97 PRO HA 1 99 PHE H 0.000 . 3.200 2.968 2.827 3.225 0.025 3 0 "[ . 1 . 2 ]" 1
486 1 98 PRO HA 1 99 PHE H 3.200 3.200 8.200 3.215 3.164 3.254 0.036 4 0 "[ . 1 . 2 ]" 1
487 1 98 PRO HD2 1 99 PHE H 2.700 2.700 7.700 2.737 2.694 2.819 0.006 19 0 "[ . 1 . 2 ]" 1
488 1 98 PRO HD3 1 99 PHE H 2.700 2.700 7.700 3.907 3.881 3.953 . 0 0 "[ . 1 . 2 ]" 1
489 1 99 PHE H 1 99 PHE HA 2.700 2.700 7.700 2.927 2.901 2.965 . 0 0 "[ . 1 . 2 ]" 1
490 1 99 PHE HA 1 100 LEU H 0.000 . 2.700 2.438 2.228 2.498 . 0 0 "[ . 1 . 2 ]" 1
491 1 99 PHE HD2 2 21 LEU MD2 0.000 . 5.800 3.383 2.571 4.008 . 0 0 "[ . 1 . 2 ]" 1
492 1 99 PHE HE2 2 21 LEU MD2 0.000 . 4.000 3.035 2.153 3.350 . 0 0 "[ . 1 . 2 ]" 1
493 1 100 LEU H 1 100 LEU HA 2.700 2.700 7.700 2.969 2.934 2.974 . 0 0 "[ . 1 . 2 ]" 1
494 1 100 LEU H 1 101 LEU H 3.500 3.500 8.500 4.482 4.443 4.561 . 0 0 "[ . 1 . 2 ]" 1
495 1 100 LEU HA 1 101 LEU H 0.000 . 2.700 2.214 2.178 2.238 . 0 0 "[ . 1 . 2 ]" 1
496 1 100 LEU MD1 1 124 SER QB 0.000 . 4.800 2.927 2.781 3.232 . 0 0 "[ . 1 . 2 ]" 1
497 1 100 LEU MD2 1 124 SER QB 0.000 . 4.800 2.783 2.489 3.329 . 0 0 "[ . 1 . 2 ]" 1
498 1 101 LEU H 1 101 LEU HA 2.700 2.700 7.700 2.964 2.961 2.966 . 0 0 "[ . 1 . 2 ]" 1
499 1 101 LEU H 1 102 TYR H 3.500 3.500 8.500 4.398 4.383 4.423 . 0 0 "[ . 1 . 2 ]" 1
500 1 101 LEU HA 1 102 TYR H 0.000 . 2.700 2.215 2.205 2.229 . 0 0 "[ . 1 . 2 ]" 1
501 1 101 LEU MD1 2 28 TRP HE1 0.000 . 4.800 3.885 3.817 3.992 . 0 0 "[ . 1 . 2 ]" 1
502 1 102 TYR H 1 102 TYR HA 2.700 2.700 7.700 2.926 2.918 2.933 . 0 0 "[ . 1 . 2 ]" 1
503 1 102 TYR H 1 103 ARG H 3.500 3.500 8.500 4.394 4.375 4.414 . 0 0 "[ . 1 . 2 ]" 1
504 1 102 TYR H 1 109 ILE MG 0.000 . 4.800 3.941 3.822 4.016 . 0 0 "[ . 1 . 2 ]" 1
505 1 102 TYR H 1 110 ARG H 0.000 . 3.600 3.586 3.532 3.610 0.010 16 0 "[ . 1 . 2 ]" 1
506 1 102 TYR H 1 111 GLY HA2 0.000 . 3.600 3.158 3.056 3.261 . 0 0 "[ . 1 . 2 ]" 1
507 1 102 TYR HA 1 103 ARG H 0.000 . 2.700 2.319 2.271 2.404 . 0 0 "[ . 1 . 2 ]" 1
508 1 103 ARG H 1 103 ARG HA 2.700 2.700 7.700 2.957 2.953 2.961 . 0 0 "[ . 1 . 2 ]" 1
509 1 103 ARG H 1 104 ASN H 3.500 3.500 8.500 4.549 4.533 4.561 . 0 0 "[ . 1 . 2 ]" 1
510 1 103 ARG HA 1 109 ILE MG 0.000 . 4.800 3.992 3.925 4.018 . 0 0 "[ . 1 . 2 ]" 1
511 1 103 ARG HD2 2 32 ALA MB 0.000 . 4.800 2.556 2.225 4.006 . 0 0 "[ . 1 . 2 ]" 1
512 1 103 ARG HD3 2 32 ALA MB 0.000 . 4.800 2.671 2.068 3.054 . 0 0 "[ . 1 . 2 ]" 1
513 1 107 SER H 1 108 ARG H 0.000 . 2.700 2.522 2.482 2.539 . 0 0 "[ . 1 . 2 ]" 1
514 1 107 SER H 2 36 GLU QB 0.000 . 4.800 3.602 2.074 4.178 . 0 0 "[ . 1 . 2 ]" 1
515 1 107 SER H 2 36 GLU QG 0.000 . 4.300 2.811 1.934 3.841 . 0 0 "[ . 1 . 2 ]" 1
516 1 107 SER HA 1 108 ARG H 2.700 2.700 7.700 2.858 2.853 2.863 . 0 0 "[ . 1 . 2 ]" 1
517 1 108 ARG H 1 108 ARG HA 2.700 2.700 7.700 2.952 2.949 2.960 . 0 0 "[ . 1 . 2 ]" 1
518 1 108 ARG H 1 109 ILE H 3.500 3.500 8.500 4.565 4.544 4.582 . 0 0 "[ . 1 . 2 ]" 1
519 1 108 ARG HA 1 109 ILE H 0.000 . 2.700 2.322 2.261 2.367 . 0 0 "[ . 1 . 2 ]" 1
520 1 109 ILE H 1 109 ILE HA 2.700 2.700 7.700 2.968 2.966 2.969 . 0 0 "[ . 1 . 2 ]" 1
521 1 109 ILE H 1 110 ARG H 3.500 3.500 8.500 4.358 4.324 4.404 . 0 0 "[ . 1 . 2 ]" 1
522 1 109 ILE HA 1 110 ARG H 0.000 . 2.700 2.131 2.119 2.152 . 0 0 "[ . 1 . 2 ]" 1
523 1 109 ILE MD 2 28 TRP HZ2 0.000 . 3.600 3.004 2.953 3.021 . 0 0 "[ . 1 . 2 ]" 1
524 1 109 ILE MD 2 29 GLN HA 0.000 . 3.600 3.024 3.009 3.039 . 0 0 "[ . 1 . 2 ]" 1
525 1 109 ILE MD 2 32 ALA MB 0.000 . 4.300 2.835 2.688 2.986 . 0 0 "[ . 1 . 2 ]" 1
526 1 109 ILE MG 2 28 TRP HZ2 0.000 . 3.600 2.252 2.093 2.401 . 0 0 "[ . 1 . 2 ]" 1
527 1 110 ARG H 1 110 ARG HA 2.700 2.700 7.700 2.948 2.938 2.960 . 0 0 "[ . 1 . 2 ]" 1
528 1 110 ARG H 1 111 GLY H 3.500 3.500 8.500 4.396 4.371 4.424 . 0 0 "[ . 1 . 2 ]" 1
529 1 110 ARG HA 1 111 GLY H 0.000 . 2.700 2.284 2.246 2.308 . 0 0 "[ . 1 . 2 ]" 1
530 1 111 GLY H 1 111 GLY HA2 2.700 2.700 7.700 2.938 2.927 2.945 . 0 0 "[ . 1 . 2 ]" 1
531 1 111 GLY H 1 111 GLY HA3 0.000 . 2.700 2.613 2.593 2.638 . 0 0 "[ . 1 . 2 ]" 1
532 1 111 GLY H 1 112 PHE H 3.500 3.500 8.500 4.410 4.405 4.418 . 0 0 "[ . 1 . 2 ]" 1
533 1 111 GLY HA2 1 112 PHE H 0.000 . 2.700 2.417 2.376 2.439 . 0 0 "[ . 1 . 2 ]" 1
534 1 111 GLY HA3 1 112 PHE H 0.000 . 2.700 2.678 2.651 2.721 0.021 16 0 "[ . 1 . 2 ]" 1
535 1 112 PHE H 1 112 PHE HA 2.700 2.700 7.700 2.961 2.959 2.963 . 0 0 "[ . 1 . 2 ]" 1
536 1 112 PHE H 1 113 TRP H 3.500 3.500 8.500 4.379 4.361 4.395 . 0 0 "[ . 1 . 2 ]" 1
537 1 112 PHE HA 1 113 TRP H 0.000 . 2.700 2.155 2.135 2.175 . 0 0 "[ . 1 . 2 ]" 1
538 1 113 TRP H 1 113 TRP HA 2.700 2.700 7.700 2.954 2.950 2.958 . 0 0 "[ . 1 . 2 ]" 1
539 1 113 TRP H 1 114 PHE H 3.500 3.500 8.500 4.401 4.359 4.446 . 0 0 "[ . 1 . 2 ]" 1
540 1 113 TRP HE1 2 19 PRO QB 0.000 . 4.300 3.686 3.274 3.848 . 0 0 "[ . 1 . 2 ]" 1
541 1 114 PHE HZ 1 123 ILE MG 0.000 . 3.600 2.995 2.961 3.003 . 0 0 "[ . 1 . 2 ]" 1
542 1 116 ASN HB2 1 118 GLU H 3.200 3.200 8.200 4.907 4.714 4.943 . 0 0 "[ . 1 . 2 ]" 1
543 1 116 ASN HB3 1 118 GLU H 3.200 3.200 8.200 3.902 3.819 4.044 . 0 0 "[ . 1 . 2 ]" 1
544 1 116 ASN HD22 1 118 GLU HG2 0.000 . 4.000 3.983 3.944 4.035 0.035 14 0 "[ . 1 . 2 ]" 1
545 1 116 ASN HD22 1 118 GLU HG3 0.000 . 4.000 3.954 2.731 4.018 0.018 17 0 "[ . 1 . 2 ]" 1
546 1 117 SER H 1 118 GLU H 0.000 . 2.700 2.704 2.677 2.727 0.027 14 0 "[ . 1 . 2 ]" 1
547 1 117 SER HA 1 118 GLU H 3.200 3.200 8.200 3.543 3.534 3.548 . 0 0 "[ . 1 . 2 ]" 1
548 1 118 GLU H 1 119 GLU H 0.000 . 2.700 2.682 2.668 2.706 0.006 14 0 "[ . 1 . 2 ]" 1
549 1 118 GLU HA 1 119 GLU H 3.200 3.200 8.200 3.539 3.537 3.543 . 0 0 "[ . 1 . 2 ]" 1
550 1 119 GLU H 1 120 CYS H 0.000 . 2.700 2.727 2.723 2.730 0.030 2 0 "[ . 1 . 2 ]" 1
551 1 119 GLU HA 1 120 CYS H 3.200 3.200 8.200 3.544 3.540 3.549 . 0 0 "[ . 1 . 2 ]" 1
552 1 120 CYS H 1 121 ASP H 0.000 . 2.700 2.702 2.697 2.707 0.007 14 0 "[ . 1 . 2 ]" 1
553 1 120 CYS HA 1 121 ASP H 3.200 3.200 8.200 3.541 3.532 3.546 . 0 0 "[ . 1 . 2 ]" 1
554 1 121 ASP H 1 122 ARG H 0.000 . 2.700 2.729 2.724 2.746 0.046 12 0 "[ . 1 . 2 ]" 1
555 1 121 ASP HA 1 122 ARG H 3.200 3.200 8.200 3.554 3.548 3.576 . 0 0 "[ . 1 . 2 ]" 1
556 1 122 ARG H 1 123 ILE H 0.000 . 2.700 2.758 2.730 2.765 0.065 13 0 "[ . 1 . 2 ]" 1
557 1 122 ARG HA 1 123 ILE H 3.200 3.200 8.200 3.559 3.556 3.569 . 0 0 "[ . 1 . 2 ]" 1
558 1 122 ARG HA 1 125 GLY H 0.000 . 3.600 3.612 3.531 3.625 0.025 17 0 "[ . 1 . 2 ]" 1
559 1 123 ILE H 1 124 SER H 0.000 . 2.700 2.732 2.722 2.742 0.042 12 0 "[ . 1 . 2 ]" 1
560 1 123 ILE HA 1 124 SER H 3.200 3.200 8.200 3.547 3.543 3.561 . 0 0 "[ . 1 . 2 ]" 1
561 1 123 ILE HA 1 126 LEU H 0.000 . 3.600 3.623 3.609 3.629 0.029 20 0 "[ . 1 . 2 ]" 1
562 1 123 ILE MG 1 124 SER H 0.000 . 4.800 3.485 3.417 3.518 . 0 0 "[ . 1 . 2 ]" 1
563 1 124 SER H 1 125 GLY H 0.000 . 2.700 2.734 2.727 2.740 0.040 15 0 "[ . 1 . 2 ]" 1
564 1 124 SER HA 1 125 GLY H 3.200 3.200 8.200 3.552 3.542 3.555 . 0 0 "[ . 1 . 2 ]" 1
565 1 124 SER HA 1 127 VAL H 0.000 . 3.600 3.585 3.494 3.606 0.006 7 0 "[ . 1 . 2 ]" 1
566 1 125 GLY H 1 126 LEU H 0.000 . 2.700 2.741 2.737 2.747 0.047 1 0 "[ . 1 . 2 ]" 1
567 1 126 LEU H 1 127 VAL H 0.000 . 2.700 2.761 2.757 2.768 0.068 1 0 "[ . 1 . 2 ]" 1
568 1 126 LEU HA 1 127 VAL H 3.200 3.200 8.200 3.553 3.545 3.558 . 0 0 "[ . 1 . 2 ]" 1
569 1 126 LEU HA 1 129 GLY H 0.000 . 3.600 3.610 3.574 3.622 0.022 15 0 "[ . 1 . 2 ]" 1
570 1 127 VAL H 1 128 ASN H 0.000 . 2.700 2.730 2.723 2.737 0.037 1 0 "[ . 1 . 2 ]" 1
571 1 127 VAL HA 1 128 ASN H 3.200 3.200 8.200 3.546 3.544 3.549 . 0 0 "[ . 1 . 2 ]" 1
572 1 127 VAL HA 1 130 LEU H 0.000 . 3.600 3.497 3.429 3.556 . 0 0 "[ . 1 . 2 ]" 1
573 1 127 VAL HA 1 130 LEU MD1 0.000 . 4.000 2.152 2.056 2.295 . 0 0 "[ . 1 . 2 ]" 1
574 1 128 ASN H 1 129 GLY H 0.000 . 2.700 2.738 2.733 2.742 0.042 8 0 "[ . 1 . 2 ]" 1
575 1 128 ASN HA 1 129 GLY H 3.200 3.200 8.200 3.542 3.539 3.545 . 0 0 "[ . 1 . 2 ]" 1
576 1 128 ASN HA 1 131 LEU H 0.000 . 3.600 3.568 3.480 3.605 0.005 12 0 "[ . 1 . 2 ]" 1
577 1 129 GLY H 1 130 LEU H 0.000 . 2.700 2.728 2.719 2.738 0.038 14 0 "[ . 1 . 2 ]" 1
578 1 130 LEU H 1 131 LEU H 0.000 . 2.700 2.720 2.701 2.738 0.038 13 0 "[ . 1 . 2 ]" 1
579 1 130 LEU HA 1 131 LEU H 3.200 3.200 8.200 3.542 3.537 3.551 . 0 0 "[ . 1 . 2 ]" 1
580 1 131 LEU H 1 132 LYS H 0.000 . 2.700 2.725 2.715 2.740 0.040 3 0 "[ . 1 . 2 ]" 1
581 1 131 LEU HA 1 132 LYS H 3.200 3.200 8.200 3.552 3.540 3.565 . 0 0 "[ . 1 . 2 ]" 1
582 1 132 LYS H 1 133 SER H 0.000 . 2.700 2.562 2.402 2.640 . 0 0 "[ . 1 . 2 ]" 1
583 1 132 LYS HA 1 133 SER H 3.200 3.200 8.200 3.406 3.199 3.533 0.001 4 0 "[ . 1 . 2 ]" 1
584 1 133 SER H 1 133 SER HA 2.700 2.700 7.700 2.931 2.823 2.966 . 0 0 "[ . 1 . 2 ]" 1
585 1 133 SER H 1 134 LYS H 3.500 3.500 8.500 4.515 4.353 4.637 . 0 0 "[ . 1 . 2 ]" 1
586 1 133 SER HA 1 134 LYS H 0.000 . 2.700 2.268 2.176 2.392 . 0 0 "[ . 1 . 2 ]" 1
587 1 134 LYS H 1 134 LYS HA 2.700 2.700 7.700 2.891 2.790 2.950 . 0 0 "[ . 1 . 2 ]" 1
588 2 3 GLN H 2 4 ASP H 3.500 3.500 8.500 4.481 4.383 4.556 . 0 0 "[ . 1 . 2 ]" 1
589 2 3 GLN HA 2 4 ASP H 0.000 . 2.700 2.224 2.146 2.311 . 0 0 "[ . 1 . 2 ]" 1
590 2 4 ASP H 2 4 ASP HA 2.700 2.700 7.700 2.860 2.821 2.901 . 0 0 "[ . 1 . 2 ]" 1
591 2 4 ASP H 2 5 PRO HD2 3.500 3.500 8.500 5.056 4.834 5.228 . 0 0 "[ . 1 . 2 ]" 1
592 2 4 ASP H 2 5 PRO HD3 3.500 3.500 8.500 5.016 4.851 5.272 . 0 0 "[ . 1 . 2 ]" 1
593 2 10 GLN HA 2 11 ARG H 0.000 . 2.700 2.274 2.142 2.571 . 0 0 "[ . 1 . 2 ]" 1
594 2 11 ARG H 2 11 ARG HA 2.700 2.700 7.700 2.914 2.799 2.964 . 0 0 "[ . 1 . 2 ]" 1
595 2 11 ARG H 2 12 ALA H 3.500 3.500 8.500 4.498 4.291 4.622 . 0 0 "[ . 1 . 2 ]" 1
596 2 11 ARG HA 2 12 ALA H 0.000 . 2.700 2.186 2.140 2.282 . 0 0 "[ . 1 . 2 ]" 1
597 2 12 ALA H 2 12 ALA HA 2.700 2.700 7.700 2.919 2.790 2.960 . 0 0 "[ . 1 . 2 ]" 1
598 2 12 ALA H 2 13 PRO HD2 3.500 3.500 8.500 5.005 4.790 5.325 . 0 0 "[ . 1 . 2 ]" 1
599 2 12 ALA H 2 13 PRO HD3 3.500 3.500 8.500 5.068 4.835 5.323 . 0 0 "[ . 1 . 2 ]" 1
600 2 17 GLN H 2 17 GLN HA 2.700 2.700 7.700 2.837 2.750 2.955 . 0 0 "[ . 1 . 2 ]" 1
601 2 17 GLN H 2 18 MET H 3.500 3.500 8.500 4.560 4.108 4.658 . 0 0 "[ . 1 . 2 ]" 1
602 2 17 GLN HA 2 18 MET H 0.000 . 2.700 2.214 2.145 2.336 . 0 0 "[ . 1 . 2 ]" 1
603 2 18 MET H 2 18 MET HA 2.700 2.700 7.700 2.838 2.793 2.918 . 0 0 "[ . 1 . 2 ]" 1
604 2 18 MET H 2 19 PRO HD2 3.500 3.500 8.500 5.162 4.806 5.409 . 0 0 "[ . 1 . 2 ]" 1
605 2 18 MET H 2 19 PRO HD3 3.500 3.500 8.500 4.769 4.478 5.041 . 0 0 "[ . 1 . 2 ]" 1
606 2 18 MET ME 2 20 ASN HA 0.000 . 4.800 3.358 2.953 4.000 . 0 0 "[ . 1 . 2 ]" 1
607 2 18 MET ME 2 21 LEU MD1 0.000 . 4.800 3.107 2.762 3.332 . 0 0 "[ . 1 . 2 ]" 1
608 2 19 PRO HA 2 20 ASN H 0.000 . 2.700 2.286 2.217 2.374 . 0 0 "[ . 1 . 2 ]" 1
609 2 20 ASN H 2 20 ASN HA 2.700 2.700 7.700 2.941 2.916 2.957 . 0 0 "[ . 1 . 2 ]" 1
610 2 20 ASN H 2 21 LEU H 3.500 3.500 8.500 4.267 4.129 4.416 . 0 0 "[ . 1 . 2 ]" 1
611 2 20 ASN HA 2 21 LEU H 0.000 . 2.700 2.172 2.146 2.214 . 0 0 "[ . 1 . 2 ]" 1
612 2 21 LEU H 2 21 LEU HA 2.700 2.700 7.700 2.857 2.821 2.931 . 0 0 "[ . 1 . 2 ]" 1
613 2 22 PRO HA 2 23 LYS H 0.000 . 2.700 2.226 2.218 2.239 . 0 0 "[ . 1 . 2 ]" 1
614 2 22 PRO HD2 2 23 LYS H 3.500 3.500 8.500 5.483 5.475 5.493 . 0 0 "[ . 1 . 2 ]" 1
615 2 22 PRO HD3 2 23 LYS H 3.500 3.500 8.500 5.711 5.701 5.720 . 0 0 "[ . 1 . 2 ]" 1
616 2 23 LYS H 2 23 LYS HA 2.700 2.700 7.700 2.928 2.925 2.931 . 0 0 "[ . 1 . 2 ]" 1
617 2 23 LYS H 2 24 PRO HD2 3.500 3.500 8.500 5.281 5.058 5.395 . 0 0 "[ . 1 . 2 ]" 1
618 2 23 LYS H 2 24 PRO HD3 3.500 3.500 8.500 4.592 4.451 4.780 . 0 0 "[ . 1 . 2 ]" 1
619 2 23 LYS HA 2 24 PRO HD2 0.000 . 2.700 2.625 2.351 2.758 0.058 8 0 "[ . 1 . 2 ]" 1
620 2 23 LYS HA 2 24 PRO HD3 0.000 . 2.700 2.234 2.098 2.505 . 0 0 "[ . 1 . 2 ]" 1
621 2 26 LEU HA 2 27 PHE H 3.200 3.200 8.200 3.502 3.482 3.515 . 0 0 "[ . 1 . 2 ]" 1
622 2 27 PHE H 2 28 TRP H 0.000 . 2.700 2.737 2.723 2.747 0.047 1 0 "[ . 1 . 2 ]" 1
623 2 27 PHE HA 2 28 TRP H 3.200 3.200 8.200 3.518 3.512 3.523 . 0 0 "[ . 1 . 2 ]" 1
624 2 28 TRP H 2 29 GLN H 0.000 . 2.700 2.715 2.707 2.720 0.020 12 0 "[ . 1 . 2 ]" 1
625 2 28 TRP HA 2 29 GLN H 3.200 3.200 8.200 3.569 3.566 3.580 . 0 0 "[ . 1 . 2 ]" 1
626 2 29 GLN H 2 30 GLN H 0.000 . 2.700 2.708 2.592 2.726 0.026 4 0 "[ . 1 . 2 ]" 1
627 2 29 GLN HA 2 30 GLN H 3.200 3.200 8.200 3.559 3.547 3.564 . 0 0 "[ . 1 . 2 ]" 1
628 2 30 GLN H 2 31 GLU H 0.000 . 2.700 2.734 2.727 2.743 0.043 18 0 "[ . 1 . 2 ]" 1
629 2 30 GLN HA 2 31 GLU H 3.200 3.200 8.200 3.551 3.545 3.557 . 0 0 "[ . 1 . 2 ]" 1
630 2 31 GLU H 2 32 ALA H 0.000 . 2.700 2.747 2.742 2.755 0.055 6 0 "[ . 1 . 2 ]" 1
631 2 31 GLU HA 2 32 ALA H 3.200 3.200 8.200 3.556 3.548 3.563 . 0 0 "[ . 1 . 2 ]" 1
632 2 32 ALA H 2 33 GLN H 0.000 . 2.700 2.748 2.738 2.762 0.062 7 0 "[ . 1 . 2 ]" 1
633 2 32 ALA HA 2 33 GLN H 3.200 3.200 8.200 3.554 3.544 3.565 . 0 0 "[ . 1 . 2 ]" 1
634 2 33 GLN H 2 34 LYS H 0.000 . 2.700 2.736 2.713 2.759 0.059 19 0 "[ . 1 . 2 ]" 1
635 2 33 GLN HA 2 34 LYS H 3.200 3.200 8.200 3.545 3.532 3.562 . 0 0 "[ . 1 . 2 ]" 1
636 2 34 LYS H 2 35 GLN H 0.000 . 2.700 2.720 2.649 2.736 0.036 18 0 "[ . 1 . 2 ]" 1
637 2 37 ALA H 2 37 ALA HA 2.700 2.700 7.700 2.878 2.795 2.965 . 0 0 "[ . 1 . 2 ]" 1
638 2 37 ALA H 2 38 LEU H 3.500 3.500 8.500 4.486 3.978 4.639 . 0 0 "[ . 1 . 2 ]" 1
639 2 37 ALA HA 2 38 LEU H 0.000 . 2.700 2.227 2.143 2.309 . 0 0 "[ . 1 . 2 ]" 1
640 2 38 LEU H 2 38 LEU HA 2.700 2.700 7.700 2.900 2.798 2.966 . 0 0 "[ . 1 . 2 ]" 1
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