NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372588 |
1dc8   |
4528 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dc8
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 1250
_Distance_constraint_stats_list.Viol_count 130
_Distance_constraint_stats_list.Viol_total 10.206
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0785
_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 2 GLN 0.000 0.000 . 0 "[ ]"
1 3 ARG 0.000 0.000 . 0 "[ ]"
1 4 GLY 0.032 0.032 1 0 "[ ]"
1 5 ILE 0.032 0.032 1 0 "[ ]"
1 6 VAL 0.210 0.124 1 0 "[ ]"
1 7 TRP 0.000 0.000 . 0 "[ ]"
1 8 VAL 0.000 0.000 . 0 "[ ]"
1 9 VAL 0.097 0.055 1 0 "[ ]"
1 10 ASP 0.030 0.030 1 0 "[ ]"
1 11 ASP 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.063 0.063 1 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 SER 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.063 0.063 1 0 "[ ]"
1 16 ARG 0.281 0.217 1 0 "[ ]"
1 17 TRP 0.769 0.252 1 0 "[ ]"
1 18 VAL 0.725 0.252 1 0 "[ ]"
1 19 LEU 0.061 0.061 1 0 "[ ]"
1 20 GLU 0.085 0.054 1 0 "[ ]"
1 21 ARG 0.185 0.124 1 0 "[ ]"
1 22 ALA 0.322 0.124 1 0 "[ ]"
1 23 LEU 0.238 0.122 1 0 "[ ]"
1 24 ALA 0.181 0.078 1 0 "[ ]"
1 25 GLY 0.022 0.022 1 0 "[ ]"
1 26 ALA 0.078 0.078 1 0 "[ ]"
1 27 GLY 0.179 0.078 1 0 "[ ]"
1 28 LEU 0.197 0.089 1 0 "[ ]"
1 29 THR 0.122 0.122 1 0 "[ ]"
1 30 CYS 0.000 0.000 . 0 "[ ]"
1 31 THR 0.007 0.004 1 0 "[ ]"
1 32 THR 0.004 0.004 1 0 "[ ]"
1 33 PHE 0.000 0.000 . 0 "[ ]"
1 34 GLU 0.043 0.043 1 0 "[ ]"
1 35 ASN 0.107 0.107 1 0 "[ ]"
1 36 GLY 0.107 0.107 1 0 "[ ]"
1 37 ASN 0.225 0.122 1 0 "[ ]"
1 38 GLU 0.095 0.095 1 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 LEU 0.259 0.122 1 0 "[ ]"
1 41 ALA 0.128 0.089 1 0 "[ ]"
1 42 ALA 0.075 0.075 1 0 "[ ]"
1 43 LEU 0.522 0.281 1 0 "[ ]"
1 44 ALA 0.249 0.089 1 0 "[ ]"
1 45 SER 0.594 0.319 1 0 "[ ]"
1 46 LYS 0.866 0.319 1 0 "[ ]"
1 47 THR 0.233 0.102 1 0 "[ ]"
1 48 PRO 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.137 0.137 1 0 "[ ]"
1 50 VAL 0.442 0.139 1 0 "[ ]"
1 51 LEU 0.165 0.139 1 0 "[ ]"
1 52 LEU 0.007 0.007 1 0 "[ ]"
1 53 SER 0.062 0.057 1 0 "[ ]"
1 55 ILE 0.203 0.203 1 0 "[ ]"
1 56 ARG 0.203 0.203 1 0 "[ ]"
1 57 MET 0.000 0.000 . 0 "[ ]"
1 58 PRO 0.293 0.191 1 0 "[ ]"
1 59 GLY 0.122 0.122 1 0 "[ ]"
1 60 MET 0.312 0.191 1 0 "[ ]"
1 61 ASP 0.314 0.191 1 0 "[ ]"
1 62 GLY 0.021 0.021 1 0 "[ ]"
1 63 LEU 0.315 0.315 1 0 "[ ]"
1 64 ALA 0.315 0.315 1 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.094 0.094 1 0 "[ ]"
1 67 LYS 0.256 0.101 1 0 "[ ]"
1 68 GLN 0.059 0.059 1 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.033 0.033 1 0 "[ ]"
1 71 GLN 0.079 0.047 1 0 "[ ]"
1 72 ARG 0.178 0.105 1 0 "[ ]"
1 73 HIS 0.105 0.105 1 0 "[ ]"
1 74 PRO 0.000 0.000 . 0 "[ ]"
1 75 MET 0.049 0.032 1 0 "[ ]"
1 76 LEU 0.026 0.026 1 0 "[ ]"
1 77 PRO 0.003 0.003 1 0 "[ ]"
1 78 VAL 0.047 0.041 1 0 "[ ]"
1 79 ILE 0.306 0.142 1 0 "[ ]"
1 80 ILE 0.347 0.196 1 0 "[ ]"
1 81 MET 0.115 0.084 1 0 "[ ]"
1 82 THR 0.282 0.185 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 85 SER 0.000 0.000 . 0 "[ ]"
1 86 ASP 0.109 0.109 1 0 "[ ]"
1 87 LEU 0.191 0.109 1 0 "[ ]"
1 88 ASP 0.192 0.082 1 0 "[ ]"
1 89 ALA 0.078 0.078 1 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.182 0.149 1 0 "[ ]"
1 92 SER 0.114 0.088 1 0 "[ ]"
1 93 ALA 0.044 0.044 1 0 "[ ]"
1 94 TYR 0.149 0.149 1 0 "[ ]"
1 95 GLN 0.088 0.088 1 0 "[ ]"
1 96 GLN 0.254 0.141 1 0 "[ ]"
1 97 GLY 0.303 0.234 1 0 "[ ]"
1 98 ALA 0.279 0.234 1 0 "[ ]"
1 99 PHE 0.002 0.002 1 0 "[ ]"
1 100 ASP 0.187 0.142 1 0 "[ ]"
1 101 TYR 0.033 0.033 1 0 "[ ]"
1 102 LEU 0.153 0.086 1 0 "[ ]"
1 103 PRO 0.000 0.000 . 0 "[ ]"
1 104 LYS 0.185 0.185 1 0 "[ ]"
1 106 PHE 0.053 0.053 1 0 "[ ]"
1 107 ASP 0.201 0.084 1 0 "[ ]"
1 108 ILE 0.088 0.084 1 0 "[ ]"
1 109 ASP 0.274 0.139 1 0 "[ ]"
1 110 GLU 0.271 0.122 1 0 "[ ]"
1 111 ALA 0.209 0.154 1 0 "[ ]"
1 112 VAL 0.064 0.046 1 0 "[ ]"
1 113 ALA 0.035 0.018 1 0 "[ ]"
1 114 LEU 0.180 0.154 1 0 "[ ]"
1 115 VAL 0.098 0.088 1 0 "[ ]"
1 116 GLU 0.122 0.088 1 0 "[ ]"
1 117 ARG 0.144 0.083 1 0 "[ ]"
1 118 ALA 0.002 0.002 1 0 "[ ]"
1 119 ILE 0.339 0.104 1 0 "[ ]"
1 120 SER 0.092 0.092 1 0 "[ ]"
1 121 HIS 0.060 0.060 1 0 "[ ]"
1 122 TYR 0.045 0.045 1 0 "[ ]"
1 123 GLN 0.019 0.019 1 0 "[ ]"
1 124 GLU 0.069 0.069 1 0 "[ ]"
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 2 GLN HA 1 2 GLN QG . . 3.940 2.607 2.607 2.607 . 0 0 "[ ]" 1
2 1 2 GLN HA 1 3 ARG H . . 3.080 2.241 2.241 2.241 . 0 0 "[ ]" 1
3 1 3 ARG H 1 3 ARG HB3 . . 3.270 3.210 3.210 3.210 . 0 0 "[ ]" 1
4 1 3 ARG H 1 3 ARG QG . . 4.800 2.112 2.112 2.112 . 0 0 "[ ]" 1
5 1 3 ARG H 1 28 LEU QD . . 6.920 2.989 2.989 2.989 . 0 0 "[ ]" 1
6 1 3 ARG HA 1 3 ARG HB2 . . 2.770 2.472 2.472 2.472 . 0 0 "[ ]" 1
7 1 3 ARG HA 1 3 ARG HB3 . . 2.680 2.501 2.501 2.501 . 0 0 "[ ]" 1
8 1 3 ARG HA 1 3 ARG QD . . 5.140 4.265 4.265 4.265 . 0 0 "[ ]" 1
9 1 3 ARG HA 1 3 ARG QG . . 3.670 3.337 3.337 3.337 . 0 0 "[ ]" 1
10 1 3 ARG HA 1 4 GLY H . . 2.740 2.542 2.542 2.542 . 0 0 "[ ]" 1
11 1 3 ARG HA 1 4 GLY QA . . 4.390 4.077 4.077 4.077 . 0 0 "[ ]" 1
12 1 3 ARG HA 1 5 ILE MD . . 4.920 3.758 3.758 3.758 . 0 0 "[ ]" 1
13 1 3 ARG HB2 1 4 GLY H . . 3.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
14 1 3 ARG HB2 1 28 LEU QD . . 6.050 4.274 4.274 4.274 . 0 0 "[ ]" 1
15 1 3 ARG QG 1 4 GLY H . . 4.110 3.363 3.363 3.363 . 0 0 "[ ]" 1
16 1 3 ARG HG2 1 4 GLY H . . 4.320 4.304 4.304 4.304 . 0 0 "[ ]" 1
17 1 3 ARG HG3 1 4 GLY H . . 4.320 3.511 3.511 3.511 . 0 0 "[ ]" 1
18 1 4 GLY H 1 5 ILE H . . 5.500 3.719 3.719 3.719 . 0 0 "[ ]" 1
19 1 4 GLY H 1 28 LEU MD1 . . 5.690 3.144 3.144 3.144 . 0 0 "[ ]" 1
20 1 4 GLY H 1 28 LEU QD . . 4.980 3.096 3.096 3.096 . 0 0 "[ ]" 1
21 1 4 GLY H 1 28 LEU MD2 . . 5.690 4.637 4.637 4.637 . 0 0 "[ ]" 1
22 1 4 GLY QA 1 5 ILE H . . 3.020 2.170 2.170 2.170 . 0 0 "[ ]" 1
23 1 4 GLY QA 1 5 ILE HB . . 6.380 4.329 4.329 4.329 . 0 0 "[ ]" 1
24 1 4 GLY QA 1 6 VAL QG . . 6.630 4.459 4.459 4.459 . 0 0 "[ ]" 1
25 1 4 GLY QA 1 28 LEU QD . . 6.080 2.752 2.752 2.752 . 0 0 "[ ]" 1
26 1 4 GLY HA2 1 5 ILE H . . 3.240 2.202 2.202 2.202 . 0 0 "[ ]" 1
27 1 4 GLY HA2 1 6 VAL MG1 . . 8.560 5.503 5.503 5.503 . 0 0 "[ ]" 1
28 1 4 GLY HA2 1 6 VAL MG2 . . 8.560 5.924 5.924 5.924 . 0 0 "[ ]" 1
29 1 4 GLY HA2 1 28 LEU MD1 . . 7.840 4.118 4.118 4.118 . 0 0 "[ ]" 1
30 1 4 GLY HA2 1 28 LEU MD2 . . 7.840 4.624 4.624 4.624 . 0 0 "[ ]" 1
31 1 4 GLY HA3 1 5 ILE H . . 3.240 3.272 3.272 3.272 0.032 1 0 "[ ]" 1
32 1 4 GLY HA3 1 6 VAL MG1 . . 8.560 5.520 5.520 5.520 . 0 0 "[ ]" 1
33 1 4 GLY HA3 1 6 VAL MG2 . . 8.560 5.591 5.591 5.591 . 0 0 "[ ]" 1
34 1 4 GLY HA3 1 28 LEU MD1 . . 7.840 3.158 3.158 3.158 . 0 0 "[ ]" 1
35 1 4 GLY HA3 1 28 LEU MD2 . . 7.840 3.169 3.169 3.169 . 0 0 "[ ]" 1
36 1 5 ILE H 1 5 ILE HB . . 3.170 2.725 2.725 2.725 . 0 0 "[ ]" 1
37 1 5 ILE H 1 5 ILE MD . . 5.160 2.742 2.742 2.742 . 0 0 "[ ]" 1
38 1 5 ILE H 1 5 ILE MG . . 4.670 3.835 3.835 3.835 . 0 0 "[ ]" 1
39 1 5 ILE H 1 28 LEU QD . . 6.800 4.567 4.567 4.567 . 0 0 "[ ]" 1
40 1 5 ILE H 1 49 ASP H . . 3.830 2.488 2.488 2.488 . 0 0 "[ ]" 1
41 1 5 ILE H 1 49 ASP QB . . 5.480 2.030 2.030 2.030 . 0 0 "[ ]" 1
42 1 5 ILE H 1 50 VAL QG . . 6.600 4.204 4.204 4.204 . 0 0 "[ ]" 1
43 1 5 ILE HA 1 6 VAL H . . 3.050 2.361 2.361 2.361 . 0 0 "[ ]" 1
44 1 5 ILE HA 1 6 VAL QG . . 6.690 3.061 3.061 3.061 . 0 0 "[ ]" 1
45 1 5 ILE HA 1 29 THR H . . 5.500 5.027 5.027 5.027 . 0 0 "[ ]" 1
46 1 5 ILE HA 1 29 THR HB . . 4.010 2.829 2.829 2.829 . 0 0 "[ ]" 1
47 1 5 ILE HB 1 48 PRO HA . . 3.520 2.703 2.703 2.703 . 0 0 "[ ]" 1
48 1 5 ILE HB 1 49 ASP H . . 4.070 2.736 2.736 2.736 . 0 0 "[ ]" 1
49 1 5 ILE MD 1 29 THR HB . . 4.390 3.755 3.755 3.755 . 0 0 "[ ]" 1
50 1 5 ILE MD 1 46 LYS QE . . 6.540 4.770 4.770 4.770 . 0 0 "[ ]" 1
51 1 5 ILE MD 1 48 PRO HA . . 3.990 2.965 2.965 2.965 . 0 0 "[ ]" 1
52 1 5 ILE MD 1 49 ASP H . . 5.660 3.585 3.585 3.585 . 0 0 "[ ]" 1
53 1 5 ILE QG 1 29 THR HB . . 4.540 2.081 2.081 2.081 . 0 0 "[ ]" 1
54 1 5 ILE HG12 1 29 THR HB . . 4.880 3.319 3.319 3.319 . 0 0 "[ ]" 1
55 1 5 ILE HG13 1 29 THR HB . . 4.880 2.103 2.103 2.103 . 0 0 "[ ]" 1
56 1 5 ILE MG 1 6 VAL H . . 5.260 2.106 2.106 2.106 . 0 0 "[ ]" 1
57 1 5 ILE MG 1 7 TRP HD1 . . 4.230 3.174 3.174 3.174 . 0 0 "[ ]" 1
58 1 5 ILE MG 1 7 TRP HE1 . . 4.390 3.519 3.519 3.519 . 0 0 "[ ]" 1
59 1 5 ILE MG 1 29 THR HB . . 4.880 3.392 3.392 3.392 . 0 0 "[ ]" 1
60 1 5 ILE MG 1 29 THR MG . . 5.140 1.897 1.897 1.897 . 0 0 "[ ]" 1
61 1 5 ILE MG 1 30 CYS HA . . 4.850 3.053 3.053 3.053 . 0 0 "[ ]" 1
62 1 5 ILE MG 1 48 PRO QB . . 6.350 1.829 1.829 1.829 . 0 0 "[ ]" 1
63 1 5 ILE MG 1 49 ASP H . . 4.640 3.782 3.782 3.782 . 0 0 "[ ]" 1
64 1 6 VAL H 1 6 VAL HB . . 3.450 3.574 3.574 3.574 0.124 1 0 "[ ]" 1
65 1 6 VAL H 1 7 TRP H . . 5.500 4.253 4.253 4.253 . 0 0 "[ ]" 1
66 1 6 VAL H 1 29 THR HB . . 4.970 4.401 4.401 4.401 . 0 0 "[ ]" 1
67 1 6 VAL H 1 29 THR MG . . 5.410 3.634 3.634 3.634 . 0 0 "[ ]" 1
68 1 6 VAL H 1 30 CYS HA . . 3.580 2.302 2.302 2.302 . 0 0 "[ ]" 1
69 1 6 VAL HA 1 7 TRP H . . 3.080 2.189 2.189 2.189 . 0 0 "[ ]" 1
70 1 6 VAL HA 1 50 VAL H . . 3.520 3.603 3.603 3.603 0.083 1 0 "[ ]" 1
71 1 6 VAL HB 1 7 TRP H . . 3.640 3.537 3.537 3.537 . 0 0 "[ ]" 1
72 1 6 VAL HB 1 30 CYS HA . . 4.820 3.846 3.846 3.846 . 0 0 "[ ]" 1
73 1 6 VAL HB 1 31 THR H . . 4.450 4.453 4.453 4.453 0.003 1 0 "[ ]" 1
74 1 6 VAL QG 1 7 TRP H . . 5.830 3.442 3.442 3.442 . 0 0 "[ ]" 1
75 1 6 VAL QG 1 7 TRP HA . . 6.660 4.401 4.401 4.401 . 0 0 "[ ]" 1
76 1 6 VAL QG 1 29 THR H . . 6.510 4.459 4.459 4.459 . 0 0 "[ ]" 1
77 1 6 VAL QG 1 30 CYS H . . 7.220 3.693 3.693 3.693 . 0 0 "[ ]" 1
78 1 6 VAL QG 1 30 CYS HA . . 5.130 1.961 1.961 1.961 . 0 0 "[ ]" 1
79 1 6 VAL QG 1 30 CYS QB . . 7.760 1.755 1.755 1.755 . 0 0 "[ ]" 1
80 1 6 VAL QG 1 31 THR H . . 6.720 3.680 3.680 3.680 . 0 0 "[ ]" 1
81 1 6 VAL QG 1 50 VAL H . . 6.070 4.214 4.214 4.214 . 0 0 "[ ]" 1
82 1 6 VAL MG1 1 30 CYS HA . . 5.850 4.631 4.631 4.631 . 0 0 "[ ]" 1
83 1 6 VAL MG2 1 30 CYS HA . . 5.850 1.963 1.963 1.963 . 0 0 "[ ]" 1
84 1 7 TRP H 1 7 TRP QB . . 3.710 2.309 2.309 2.309 . 0 0 "[ ]" 1
85 1 7 TRP H 1 7 TRP HD1 . . 4.260 4.089 4.089 4.089 . 0 0 "[ ]" 1
86 1 7 TRP H 1 51 LEU HA . . 3.670 2.458 2.458 2.458 . 0 0 "[ ]" 1
87 1 7 TRP HA 1 7 TRP HD1 . . 3.360 1.963 1.963 1.963 . 0 0 "[ ]" 1
88 1 7 TRP HA 1 8 VAL H . . 3.140 2.340 2.340 2.340 . 0 0 "[ ]" 1
89 1 7 TRP HA 1 30 CYS HA . . 4.170 4.160 4.160 4.160 . 0 0 "[ ]" 1
90 1 7 TRP HA 1 31 THR HB . . 4.790 3.177 3.177 3.177 . 0 0 "[ ]" 1
91 1 7 TRP QB 1 8 VAL H . . 4.520 2.964 2.964 2.964 . 0 0 "[ ]" 1
92 1 7 TRP QB 1 9 VAL QG . . 7.540 3.581 3.581 3.581 . 0 0 "[ ]" 1
93 1 7 TRP QB 1 33 PHE QE . . 8.500 4.550 4.550 4.550 . 0 0 "[ ]" 1
94 1 7 TRP QB 1 39 VAL MG1 . . 5.730 3.520 3.520 3.520 . 0 0 "[ ]" 1
95 1 7 TRP QB 1 51 LEU QD . . 6.710 1.902 1.902 1.902 . 0 0 "[ ]" 1
96 1 7 TRP QB 1 52 LEU H . . 5.690 3.575 3.575 3.575 . 0 0 "[ ]" 1
97 1 7 TRP HD1 1 8 VAL H . . 4.630 3.878 3.878 3.878 . 0 0 "[ ]" 1
98 1 7 TRP HD1 1 31 THR H . . 4.110 2.687 2.687 2.687 . 0 0 "[ ]" 1
99 1 7 TRP HD1 1 51 LEU QD . . 7.010 4.936 4.936 4.936 . 0 0 "[ ]" 1
100 1 7 TRP HE1 1 31 THR HB . . 4.600 2.691 2.691 2.691 . 0 0 "[ ]" 1
101 1 7 TRP HE3 1 43 LEU QD . . 6.210 2.419 2.419 2.419 . 0 0 "[ ]" 1
102 1 7 TRP HE3 1 51 LEU QD . . 5.990 2.517 2.517 2.517 . 0 0 "[ ]" 1
103 1 7 TRP HH2 1 33 PHE HZ . . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
104 1 7 TRP HH2 1 43 LEU HA . . 3.700 3.669 3.669 3.669 . 0 0 "[ ]" 1
105 1 7 TRP HH2 1 46 LYS H . . 4.850 4.049 4.049 4.049 . 0 0 "[ ]" 1
106 1 7 TRP HH2 1 46 LYS HB2 . . 4.040 3.777 3.777 3.777 . 0 0 "[ ]" 1
107 1 7 TRP HH2 1 46 LYS HB3 . . 4.040 3.192 3.192 3.192 . 0 0 "[ ]" 1
108 1 7 TRP HZ2 1 31 THR MG . . 5.850 4.564 4.564 4.564 . 0 0 "[ ]" 1
109 1 7 TRP HZ2 1 33 PHE HZ . . 4.480 4.001 4.001 4.001 . 0 0 "[ ]" 1
110 1 7 TRP HZ2 1 42 ALA MB . . 5.070 3.976 3.976 3.976 . 0 0 "[ ]" 1
111 1 7 TRP HZ2 1 46 LYS HB2 . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
112 1 7 TRP HZ2 1 46 LYS HB3 . . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
113 1 7 TRP HZ2 1 46 LYS QD . . 5.510 4.746 4.746 4.746 . 0 0 "[ ]" 1
114 1 7 TRP HZ2 1 46 LYS QG . . 5.070 4.171 4.171 4.171 . 0 0 "[ ]" 1
115 1 7 TRP HZ3 1 43 LEU H . . 4.600 4.020 4.020 4.020 . 0 0 "[ ]" 1
116 1 7 TRP HZ3 1 43 LEU HB3 . . 4.850 4.404 4.404 4.404 . 0 0 "[ ]" 1
117 1 7 TRP HZ3 1 43 LEU QD . . 6.390 2.421 2.421 2.421 . 0 0 "[ ]" 1
118 1 8 VAL H 1 8 VAL HB . . 3.420 2.814 2.814 2.814 . 0 0 "[ ]" 1
119 1 8 VAL H 1 9 VAL QG . . 7.590 3.306 3.306 3.306 . 0 0 "[ ]" 1
120 1 8 VAL H 1 32 THR HA . . 3.420 3.019 3.019 3.019 . 0 0 "[ ]" 1
121 1 8 VAL H 1 32 THR MG . . 5.260 3.691 3.691 3.691 . 0 0 "[ ]" 1
122 1 8 VAL H 1 33 PHE QD . . 7.620 3.597 3.597 3.597 . 0 0 "[ ]" 1
123 1 8 VAL H 1 33 PHE QE . . 7.620 4.853 4.853 4.853 . 0 0 "[ ]" 1
124 1 8 VAL HA 1 9 VAL H . . 3.050 2.244 2.244 2.244 . 0 0 "[ ]" 1
125 1 8 VAL HA 1 51 LEU QD . . 6.890 2.735 2.735 2.735 . 0 0 "[ ]" 1
126 1 8 VAL HA 1 52 LEU H . . 3.450 2.382 2.382 2.382 . 0 0 "[ ]" 1
127 1 8 VAL HB 1 20 GLU QG . . 5.040 4.444 4.444 4.444 . 0 0 "[ ]" 1
128 1 8 VAL HB 1 32 THR MG . . 4.390 2.239 2.239 2.239 . 0 0 "[ ]" 1
129 1 8 VAL HB 1 33 PHE H . . 4.630 4.625 4.625 4.625 . 0 0 "[ ]" 1
130 1 8 VAL QG 1 9 VAL H . . 5.920 2.167 2.167 2.167 . 0 0 "[ ]" 1
131 1 8 VAL QG 1 10 ASP H . . 6.910 3.998 3.998 3.998 . 0 0 "[ ]" 1
132 1 8 VAL QG 1 16 ARG QD . . 7.380 4.371 4.371 4.371 . 0 0 "[ ]" 1
133 1 8 VAL QG 1 19 LEU QD . . 7.590 2.407 2.407 2.407 . 0 0 "[ ]" 1
134 1 8 VAL QG 1 20 GLU QG . . 8.470 4.109 4.109 4.109 . 0 0 "[ ]" 1
135 1 8 VAL QG 1 32 THR HA . . 7.590 3.687 3.687 3.687 . 0 0 "[ ]" 1
136 1 8 VAL QG 1 32 THR MG . . 6.390 2.784 2.784 2.784 . 0 0 "[ ]" 1
137 1 8 VAL QG 1 52 LEU QB . . 6.920 1.935 1.935 1.935 . 0 0 "[ ]" 1
138 1 9 VAL H 1 9 VAL HB . . 3.760 3.815 3.815 3.815 0.055 1 0 "[ ]" 1
139 1 9 VAL H 1 10 ASP H . . 5.500 4.228 4.228 4.228 . 0 0 "[ ]" 1
140 1 9 VAL H 1 51 LEU QD . . 6.920 3.209 3.209 3.209 . 0 0 "[ ]" 1
141 1 9 VAL H 1 52 LEU H . . 3.670 3.677 3.677 3.677 0.007 1 0 "[ ]" 1
142 1 9 VAL H 1 53 SER HA . . 3.670 3.675 3.675 3.675 0.005 1 0 "[ ]" 1
143 1 9 VAL HA 1 10 ASP H . . 2.990 2.187 2.187 2.187 . 0 0 "[ ]" 1
144 1 9 VAL HA 1 33 PHE H . . 3.760 2.366 2.366 2.366 . 0 0 "[ ]" 1
145 1 9 VAL HB 1 10 ASP H . . 3.420 3.450 3.450 3.450 0.030 1 0 "[ ]" 1
146 1 9 VAL HB 1 35 ASN HA . . 4.290 4.213 4.213 4.213 . 0 0 "[ ]" 1
147 1 9 VAL QG 1 33 PHE H . . 5.540 2.915 2.915 2.915 . 0 0 "[ ]" 1
148 1 9 VAL QG 1 33 PHE QB . . 7.170 1.887 1.887 1.887 . 0 0 "[ ]" 1
149 1 9 VAL QG 1 33 PHE QD . . 9.280 2.583 2.583 2.583 . 0 0 "[ ]" 1
150 1 9 VAL QG 1 34 GLU H . . 7.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
151 1 9 VAL QG 1 35 ASN H . . 6.600 4.774 4.774 4.774 . 0 0 "[ ]" 1
152 1 9 VAL QG 1 36 GLY QA . . 7.450 1.826 1.826 1.826 . 0 0 "[ ]" 1
153 1 9 VAL QG 1 38 GLU QG . . 8.030 4.769 4.769 4.769 . 0 0 "[ ]" 1
154 1 9 VAL QG 1 39 VAL MG1 . . 8.430 2.520 2.520 2.520 . 0 0 "[ ]" 1
155 1 9 VAL QG 1 52 LEU H . . 6.690 3.587 3.587 3.587 . 0 0 "[ ]" 1
156 1 9 VAL QG 1 52 LEU QB . . 6.980 3.154 3.154 3.154 . 0 0 "[ ]" 1
157 1 9 VAL QG 1 52 LEU QD . . 9.010 3.876 3.876 3.876 . 0 0 "[ ]" 1
158 1 9 VAL QG 1 53 SER HA . . 5.980 1.828 1.828 1.828 . 0 0 "[ ]" 1
159 1 9 VAL QG 1 60 MET ME . . 7.880 2.849 2.849 2.849 . 0 0 "[ ]" 1
160 1 9 VAL MG1 1 10 ASP H . . 4.980 4.123 4.123 4.123 . 0 0 "[ ]" 1
161 1 9 VAL MG1 1 33 PHE H . . 5.880 2.935 2.935 2.935 . 0 0 "[ ]" 1
162 1 9 VAL MG2 1 10 ASP H . . 4.980 4.054 4.054 4.054 . 0 0 "[ ]" 1
163 1 9 VAL MG2 1 33 PHE H . . 5.880 4.968 4.968 4.968 . 0 0 "[ ]" 1
164 1 10 ASP H 1 10 ASP HB2 . . 3.610 3.134 3.134 3.134 . 0 0 "[ ]" 1
165 1 10 ASP H 1 10 ASP HB3 . . 3.610 3.228 3.228 3.228 . 0 0 "[ ]" 1
166 1 10 ASP H 1 33 PHE H . . 3.890 3.597 3.597 3.597 . 0 0 "[ ]" 1
167 1 10 ASP H 1 33 PHE QB . . 5.600 4.019 4.019 4.019 . 0 0 "[ ]" 1
168 1 10 ASP H 1 34 GLU HA . . 3.700 3.672 3.672 3.672 . 0 0 "[ ]" 1
169 1 10 ASP HA 1 11 ASP H . . 3.390 2.751 2.751 2.751 . 0 0 "[ ]" 1
170 1 10 ASP QB 1 15 ILE MG . . 5.280 3.356 3.356 3.356 . 0 0 "[ ]" 1
171 1 10 ASP QB 1 81 MET ME . . 5.820 3.172 3.172 3.172 . 0 0 "[ ]" 1
172 1 10 ASP HB2 1 15 ILE MG . . 5.500 3.758 3.758 3.758 . 0 0 "[ ]" 1
173 1 10 ASP HB3 1 15 ILE MG . . 5.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
174 1 11 ASP H 1 12 ASP QB . . 4.330 3.575 3.575 3.575 . 0 0 "[ ]" 1
175 1 11 ASP HA 1 34 GLU QG . . 5.010 4.154 4.154 4.154 . 0 0 "[ ]" 1
176 1 12 ASP H 1 12 ASP HB2 . . 3.360 2.028 2.028 2.028 . 0 0 "[ ]" 1
177 1 12 ASP H 1 12 ASP HB3 . . 3.360 3.313 3.313 3.313 . 0 0 "[ ]" 1
178 1 12 ASP H 1 13 SER H . . 3.550 3.137 3.137 3.137 . 0 0 "[ ]" 1
179 1 12 ASP H 1 15 ILE HB . . 3.890 3.953 3.953 3.953 0.063 1 0 "[ ]" 1
180 1 12 ASP QB 1 15 ILE H . . 4.610 3.142 3.142 3.142 . 0 0 "[ ]" 1
181 1 12 ASP QB 1 15 ILE QG . . 6.230 2.875 2.875 2.875 . 0 0 "[ ]" 1
182 1 12 ASP HB2 1 13 SER H . . 3.580 2.470 2.470 2.470 . 0 0 "[ ]" 1
183 1 12 ASP HB2 1 14 SER H . . 3.890 3.742 3.742 3.742 . 0 0 "[ ]" 1
184 1 12 ASP HB3 1 13 SER H . . 3.580 2.008 2.008 2.008 . 0 0 "[ ]" 1
185 1 12 ASP HB3 1 14 SER H . . 3.890 3.181 3.181 3.181 . 0 0 "[ ]" 1
186 1 13 SER H 1 13 SER QB . . 3.630 2.779 2.779 2.779 . 0 0 "[ ]" 1
187 1 13 SER H 1 14 SER H . . 3.390 1.886 1.886 1.886 . 0 0 "[ ]" 1
188 1 13 SER H 1 15 ILE HB . . 3.760 3.602 3.602 3.602 . 0 0 "[ ]" 1
189 1 13 SER HA 1 14 SER QB . . 6.380 4.326 4.326 4.326 . 0 0 "[ ]" 1
190 1 13 SER QB 1 14 SER H . . 4.330 2.630 2.630 2.630 . 0 0 "[ ]" 1
191 1 14 SER H 1 15 ILE H . . 3.080 2.064 2.064 2.064 . 0 0 "[ ]" 1
192 1 14 SER H 1 15 ILE HB . . 3.730 3.564 3.564 3.564 . 0 0 "[ ]" 1
193 1 14 SER H 1 15 ILE MG . . 5.810 4.899 4.899 4.899 . 0 0 "[ ]" 1
194 1 14 SER HA 1 17 TRP H . . 3.580 3.431 3.431 3.431 . 0 0 "[ ]" 1
195 1 14 SER HA 1 18 VAL H . . 5.500 5.034 5.034 5.034 . 0 0 "[ ]" 1
196 1 15 ILE H 1 15 ILE HB . . 3.050 2.117 2.117 2.117 . 0 0 "[ ]" 1
197 1 15 ILE H 1 15 ILE MD . . 5.410 4.201 4.201 4.201 . 0 0 "[ ]" 1
198 1 15 ILE H 1 16 ARG H . . 3.330 2.489 2.489 2.489 . 0 0 "[ ]" 1
199 1 15 ILE HA 1 15 ILE MD . . 4.110 2.231 2.231 2.231 . 0 0 "[ ]" 1
200 1 15 ILE HA 1 18 VAL H . . 3.480 3.107 3.107 3.107 . 0 0 "[ ]" 1
201 1 15 ILE HA 1 18 VAL HB . . 3.520 2.925 2.925 2.925 . 0 0 "[ ]" 1
202 1 15 ILE HA 1 18 VAL MG1 . . 5.290 4.342 4.342 4.342 . 0 0 "[ ]" 1
203 1 15 ILE HA 1 18 VAL QG . . 4.620 3.428 3.428 3.428 . 0 0 "[ ]" 1
204 1 15 ILE HA 1 18 VAL MG2 . . 5.290 3.590 3.590 3.590 . 0 0 "[ ]" 1
205 1 15 ILE HB 1 16 ARG H . . 2.900 2.715 2.715 2.715 . 0 0 "[ ]" 1
206 1 15 ILE MD 1 18 VAL H . . 5.690 4.434 4.434 4.434 . 0 0 "[ ]" 1
207 1 15 ILE MD 1 18 VAL HB . . 5.440 3.374 3.374 3.374 . 0 0 "[ ]" 1
208 1 15 ILE MD 1 18 VAL QG . . 7.880 3.527 3.527 3.527 . 0 0 "[ ]" 1
209 1 15 ILE MD 1 19 LEU HG . . 4.950 3.975 3.975 3.975 . 0 0 "[ ]" 1
210 1 15 ILE MD 1 106 PHE QE . . 7.750 3.845 3.845 3.845 . 0 0 "[ ]" 1
211 1 15 ILE MG 1 16 ARG H . . 4.760 2.451 2.451 2.451 . 0 0 "[ ]" 1
212 1 15 ILE MG 1 17 TRP H . . 5.260 4.174 4.174 4.174 . 0 0 "[ ]" 1
213 1 16 ARG H 1 16 ARG QD . . 5.940 1.872 1.872 1.872 . 0 0 "[ ]" 1
214 1 16 ARG H 1 17 TRP H . . 3.580 2.774 2.774 2.774 . 0 0 "[ ]" 1
215 1 16 ARG H 1 18 VAL H . . 4.070 4.287 4.287 4.287 0.217 1 0 "[ ]" 1
216 1 16 ARG H 1 19 LEU QB . . 4.580 3.893 3.893 3.893 . 0 0 "[ ]" 1
217 1 16 ARG HA 1 17 TRP H . . 3.420 3.485 3.485 3.485 0.065 1 0 "[ ]" 1
218 1 16 ARG HA 1 19 LEU H . . 3.450 2.973 2.973 2.973 . 0 0 "[ ]" 1
219 1 16 ARG HA 1 32 THR MG . . 4.730 3.500 3.500 3.500 . 0 0 "[ ]" 1
220 1 16 ARG QB 1 17 TRP H . . 4.420 3.702 3.702 3.702 . 0 0 "[ ]" 1
221 1 16 ARG QB 1 32 THR HB . . 6.380 2.893 2.893 2.893 . 0 0 "[ ]" 1
222 1 16 ARG QD 1 18 VAL H . . 4.700 4.123 4.123 4.123 . 0 0 "[ ]" 1
223 1 17 TRP H 1 17 TRP HB2 . . 3.700 3.312 3.312 3.312 . 0 0 "[ ]" 1
224 1 17 TRP H 1 17 TRP QB . . 3.280 2.042 2.042 2.042 . 0 0 "[ ]" 1
225 1 17 TRP H 1 17 TRP HB3 . . 3.700 2.061 2.061 2.061 . 0 0 "[ ]" 1
226 1 17 TRP H 1 17 TRP HE3 . . 4.880 5.022 5.022 5.022 0.142 1 0 "[ ]" 1
227 1 17 TRP H 1 18 VAL H . . 5.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
228 1 17 TRP HA 1 17 TRP HE3 . . 3.980 2.795 2.795 2.795 . 0 0 "[ ]" 1
229 1 17 TRP HA 1 18 VAL H . . 3.480 3.587 3.587 3.587 0.107 1 0 "[ ]" 1
230 1 17 TRP HA 1 20 GLU H . . 3.790 3.844 3.844 3.844 0.054 1 0 "[ ]" 1
231 1 17 TRP HA 1 20 GLU QB . . 4.390 3.189 3.189 3.189 . 0 0 "[ ]" 1
232 1 17 TRP QB 1 18 VAL H . . 4.210 3.246 3.246 3.246 . 0 0 "[ ]" 1
233 1 17 TRP HE3 1 18 VAL H . . 4.420 4.672 4.672 4.672 0.252 1 0 "[ ]" 1
234 1 17 TRP HE3 1 18 VAL HA . . 3.920 4.069 4.069 4.069 0.149 1 0 "[ ]" 1
235 1 17 TRP HE3 1 18 VAL QG . . 6.570 4.133 4.133 4.133 . 0 0 "[ ]" 1
236 1 17 TRP HH2 1 18 VAL QG . . 6.910 4.272 4.272 4.272 . 0 0 "[ ]" 1
237 1 17 TRP HZ3 1 18 VAL QG . . 7.070 4.595 4.595 4.595 . 0 0 "[ ]" 1
238 1 17 TRP HZ3 1 21 ARG QD . . 5.880 2.864 2.864 2.864 . 0 0 "[ ]" 1
239 1 18 VAL H 1 18 VAL HB . . 2.990 2.267 2.267 2.267 . 0 0 "[ ]" 1
240 1 18 VAL H 1 18 VAL MG1 . . 4.360 3.665 3.665 3.665 . 0 0 "[ ]" 1
241 1 18 VAL H 1 18 VAL QG . . 3.910 2.661 2.661 2.661 . 0 0 "[ ]" 1
242 1 18 VAL H 1 18 VAL MG2 . . 4.360 2.732 2.732 2.732 . 0 0 "[ ]" 1
243 1 18 VAL H 1 19 LEU QB . . 4.360 3.818 3.818 3.818 . 0 0 "[ ]" 1
244 1 18 VAL HA 1 21 ARG H . . 3.670 3.301 3.301 3.301 . 0 0 "[ ]" 1
245 1 18 VAL HA 1 21 ARG QB . . 4.360 2.357 2.357 2.357 . 0 0 "[ ]" 1
246 1 18 VAL HB 1 19 LEU H . . 3.580 3.035 3.035 3.035 . 0 0 "[ ]" 1
247 1 18 VAL HB 1 108 ILE MD . . 4.950 3.761 3.761 3.761 . 0 0 "[ ]" 1
248 1 18 VAL QG 1 19 LEU QB . . 7.790 4.235 4.235 4.235 . 0 0 "[ ]" 1
249 1 18 VAL QG 1 21 ARG H . . 6.760 4.117 4.117 4.117 . 0 0 "[ ]" 1
250 1 18 VAL QG 1 108 ILE MD . . 6.480 1.912 1.912 1.912 . 0 0 "[ ]" 1
251 1 18 VAL QG 1 108 ILE QG . . 6.550 2.175 2.175 2.175 . 0 0 "[ ]" 1
252 1 19 LEU H 1 19 LEU HB2 . . 3.210 2.013 2.013 2.013 . 0 0 "[ ]" 1
253 1 19 LEU H 1 19 LEU QB . . 3.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
254 1 19 LEU H 1 19 LEU HB3 . . 3.210 3.184 3.184 3.184 . 0 0 "[ ]" 1
255 1 19 LEU H 1 19 LEU MD1 . . 5.350 4.383 4.383 4.383 . 0 0 "[ ]" 1
256 1 19 LEU H 1 19 LEU QD . . 5.050 2.900 2.900 2.900 . 0 0 "[ ]" 1
257 1 19 LEU H 1 19 LEU MD2 . . 5.350 2.942 2.942 2.942 . 0 0 "[ ]" 1
258 1 19 LEU H 1 19 LEU HG . . 4.200 4.092 4.092 4.092 . 0 0 "[ ]" 1
259 1 19 LEU H 1 20 GLU H . . 3.700 2.548 2.548 2.548 . 0 0 "[ ]" 1
260 1 19 LEU H 1 108 ILE MD . . 4.920 3.774 3.774 3.774 . 0 0 "[ ]" 1
261 1 19 LEU HA 1 19 LEU MD1 . . 3.950 2.729 2.729 2.729 . 0 0 "[ ]" 1
262 1 19 LEU HA 1 19 LEU QD . . 3.430 1.849 1.849 1.849 . 0 0 "[ ]" 1
263 1 19 LEU HA 1 19 LEU MD2 . . 3.950 1.881 1.881 1.881 . 0 0 "[ ]" 1
264 1 19 LEU HA 1 21 ARG H . . 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1
265 1 19 LEU HA 1 23 LEU H . . 5.500 4.019 4.019 4.019 . 0 0 "[ ]" 1
266 1 19 LEU HA 1 112 VAL MG2 . . 4.390 3.844 3.844 3.844 . 0 0 "[ ]" 1
267 1 19 LEU QB 1 20 GLU H . . 3.960 2.713 2.713 2.713 . 0 0 "[ ]" 1
268 1 19 LEU QB 1 32 THR MG . . 5.820 4.176 4.176 4.176 . 0 0 "[ ]" 1
269 1 19 LEU QD 1 22 ALA MB . . 8.660 3.171 3.171 3.171 . 0 0 "[ ]" 1
270 1 19 LEU QD 1 52 LEU QB . . 7.020 3.922 3.922 3.922 . 0 0 "[ ]" 1
271 1 19 LEU QD 1 106 PHE QD . . 9.540 3.350 3.350 3.350 . 0 0 "[ ]" 1
272 1 19 LEU QD 1 106 PHE QE . . 8.890 2.044 2.044 2.044 . 0 0 "[ ]" 1
273 1 19 LEU QD 1 106 PHE HZ . . 4.600 3.386 3.386 3.386 . 0 0 "[ ]" 1
274 1 19 LEU QD 1 108 ILE MD . . 4.460 1.722 1.722 1.722 . 0 0 "[ ]" 1
275 1 19 LEU QD 1 112 VAL HA . . 6.730 4.030 4.030 4.030 . 0 0 "[ ]" 1
276 1 19 LEU QD 1 112 VAL MG2 . . 6.770 2.841 2.841 2.841 . 0 0 "[ ]" 1
277 1 19 LEU MD1 1 20 GLU H . . 5.380 4.451 4.451 4.451 . 0 0 "[ ]" 1
278 1 19 LEU MD1 1 106 PHE HZ . . 5.010 3.713 3.713 3.713 . 0 0 "[ ]" 1
279 1 19 LEU MD1 1 108 ILE MD . . 4.980 3.198 3.198 3.198 . 0 0 "[ ]" 1
280 1 19 LEU MD2 1 20 GLU H . . 5.380 4.489 4.489 4.489 . 0 0 "[ ]" 1
281 1 19 LEU MD2 1 106 PHE HZ . . 5.010 3.905 3.905 3.905 . 0 0 "[ ]" 1
282 1 19 LEU MD2 1 108 ILE MD . . 4.980 1.729 1.729 1.729 . 0 0 "[ ]" 1
283 1 20 GLU H 1 20 GLU QB . . 3.770 2.190 2.190 2.190 . 0 0 "[ ]" 1
284 1 20 GLU H 1 20 GLU QG . . 5.070 3.996 3.996 3.996 . 0 0 "[ ]" 1
285 1 20 GLU H 1 21 ARG H . . 3.580 2.563 2.563 2.563 . 0 0 "[ ]" 1
286 1 20 GLU HA 1 23 LEU QB . . 3.990 2.289 2.289 2.289 . 0 0 "[ ]" 1
287 1 20 GLU HA 1 24 ALA H . . 3.420 3.451 3.451 3.451 0.031 1 0 "[ ]" 1
288 1 20 GLU QB 1 32 THR MG . . 5.540 1.807 1.807 1.807 . 0 0 "[ ]" 1
289 1 20 GLU QG 1 21 ARG H . . 6.100 4.303 4.303 4.303 . 0 0 "[ ]" 1
290 1 20 GLU QG 1 30 CYS QB . . 6.760 1.922 1.922 1.922 . 0 0 "[ ]" 1
291 1 20 GLU QG 1 32 THR MG . . 5.980 2.128 2.128 2.128 . 0 0 "[ ]" 1
292 1 21 ARG H 1 21 ARG HB2 . . 3.450 2.273 2.273 2.273 . 0 0 "[ ]" 1
293 1 21 ARG H 1 21 ARG QB . . 3.220 2.194 2.194 2.194 . 0 0 "[ ]" 1
294 1 21 ARG H 1 21 ARG HB3 . . 3.450 2.888 2.888 2.888 . 0 0 "[ ]" 1
295 1 21 ARG H 1 21 ARG QD . . 6.070 4.572 4.572 4.572 . 0 0 "[ ]" 1
296 1 21 ARG HA 1 22 ALA H . . 3.390 3.514 3.514 3.514 0.124 1 0 "[ ]" 1
297 1 21 ARG HA 1 24 ALA MB . . 3.890 3.095 3.095 3.095 . 0 0 "[ ]" 1
298 1 21 ARG QG 1 22 ALA H . . 6.380 4.562 4.562 4.562 . 0 0 "[ ]" 1
299 1 22 ALA H 1 22 ALA HA . . 2.870 2.924 2.924 2.924 0.054 1 0 "[ ]" 1
300 1 22 ALA H 1 23 LEU H . . 3.550 2.062 2.062 2.062 . 0 0 "[ ]" 1
301 1 22 ALA HA 1 23 LEU H . . 3.390 3.512 3.512 3.512 0.122 1 0 "[ ]" 1
302 1 22 ALA HA 1 25 GLY H . . 3.330 3.352 3.352 3.352 0.022 1 0 "[ ]" 1
303 1 22 ALA HA 1 108 ILE MG . . 4.570 3.666 3.666 3.666 . 0 0 "[ ]" 1
304 1 22 ALA MB 1 108 ILE MG . . 5.290 1.771 1.771 1.771 . 0 0 "[ ]" 1
305 1 22 ALA MB 1 112 VAL MG2 . . 5.450 1.683 1.683 1.683 . 0 0 "[ ]" 1
306 1 23 LEU H 1 23 LEU HB2 . . 3.240 2.084 2.084 2.084 . 0 0 "[ ]" 1
307 1 23 LEU H 1 23 LEU QB . . 3.020 2.064 2.064 2.064 . 0 0 "[ ]" 1
308 1 23 LEU H 1 23 LEU HB3 . . 3.240 3.356 3.356 3.356 0.116 1 0 "[ ]" 1
309 1 23 LEU H 1 23 LEU MD1 . . 5.130 3.867 3.867 3.867 . 0 0 "[ ]" 1
310 1 23 LEU H 1 23 LEU QD . . 4.460 2.690 2.690 2.690 . 0 0 "[ ]" 1
311 1 23 LEU H 1 23 LEU MD2 . . 5.130 2.744 2.744 2.744 . 0 0 "[ ]" 1
312 1 23 LEU H 1 24 ALA H . . 3.420 2.386 2.386 2.386 . 0 0 "[ ]" 1
313 1 23 LEU H 1 24 ALA MB . . 5.290 4.045 4.045 4.045 . 0 0 "[ ]" 1
314 1 23 LEU H 1 25 GLY H . . 3.830 3.714 3.714 3.714 . 0 0 "[ ]" 1
315 1 23 LEU H 1 112 VAL MG2 . . 4.700 3.090 3.090 3.090 . 0 0 "[ ]" 1
316 1 23 LEU HA 1 23 LEU MD1 . . 3.890 1.915 1.915 1.915 . 0 0 "[ ]" 1
317 1 23 LEU HA 1 23 LEU QD . . 3.400 1.881 1.881 1.881 . 0 0 "[ ]" 1
318 1 23 LEU HA 1 23 LEU MD2 . . 3.890 2.753 2.753 2.753 . 0 0 "[ ]" 1
319 1 23 LEU HB2 1 24 ALA H . . 3.580 3.025 3.025 3.025 . 0 0 "[ ]" 1
320 1 23 LEU HB3 1 24 ALA H . . 3.580 3.328 3.328 3.328 . 0 0 "[ ]" 1
321 1 23 LEU QD 1 24 ALA H . . 6.610 4.030 4.030 4.030 . 0 0 "[ ]" 1
322 1 23 LEU QD 1 26 ALA MB . . 7.020 2.832 2.832 2.832 . 0 0 "[ ]" 1
323 1 23 LEU QD 1 27 GLY H . . 7.380 5.056 5.056 5.056 . 0 0 "[ ]" 1
324 1 23 LEU QD 1 111 ALA H . . 6.610 4.937 4.937 4.937 . 0 0 "[ ]" 1
325 1 23 LEU QD 1 112 VAL HA . . 6.270 1.904 1.904 1.904 . 0 0 "[ ]" 1
326 1 24 ALA H 1 25 GLY H . . 3.300 2.529 2.529 2.529 . 0 0 "[ ]" 1
327 1 24 ALA HA 1 25 GLY H . . 3.580 3.568 3.568 3.568 . 0 0 "[ ]" 1
328 1 24 ALA HA 1 27 GLY H . . 3.390 3.461 3.461 3.461 0.071 1 0 "[ ]" 1
329 1 24 ALA HA 1 28 LEU H . . 3.450 3.528 3.528 3.528 0.078 1 0 "[ ]" 1
330 1 24 ALA MB 1 25 GLY H . . 4.200 2.755 2.755 2.755 . 0 0 "[ ]" 1
331 1 25 GLY H 1 26 ALA H . . 3.270 2.715 2.715 2.715 . 0 0 "[ ]" 1
332 1 25 GLY QA 1 27 GLY H . . 4.640 3.708 3.708 3.708 . 0 0 "[ ]" 1
333 1 26 ALA H 1 26 ALA MB . . 3.610 2.362 2.362 2.362 . 0 0 "[ ]" 1
334 1 26 ALA H 1 27 GLY H . . 3.210 1.829 1.829 1.829 . 0 0 "[ ]" 1
335 1 26 ALA H 1 28 LEU H . . 5.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
336 1 26 ALA H 1 112 VAL MG1 . . 4.850 3.823 3.823 3.823 . 0 0 "[ ]" 1
337 1 26 ALA HA 1 27 GLY H . . 3.360 3.438 3.438 3.438 0.078 1 0 "[ ]" 1
338 1 26 ALA HA 1 112 VAL MG1 . . 4.950 3.520 3.520 3.520 . 0 0 "[ ]" 1
339 1 26 ALA MB 1 27 GLY QA . . 6.350 3.699 3.699 3.699 . 0 0 "[ ]" 1
340 1 27 GLY H 1 27 GLY HA2 . . 2.960 2.920 2.920 2.920 . 0 0 "[ ]" 1
341 1 27 GLY H 1 27 GLY HA3 . . 2.960 2.639 2.639 2.639 . 0 0 "[ ]" 1
342 1 27 GLY H 1 28 LEU H . . 3.110 3.140 3.140 3.140 0.030 1 0 "[ ]" 1
343 1 27 GLY H 1 28 LEU QD . . 7.260 4.564 4.564 4.564 . 0 0 "[ ]" 1
344 1 27 GLY HA2 1 28 LEU H . . 3.610 3.526 3.526 3.526 . 0 0 "[ ]" 1
345 1 27 GLY HA3 1 28 LEU H . . 3.610 2.292 2.292 2.292 . 0 0 "[ ]" 1
346 1 28 LEU H 1 28 LEU QB . . 3.750 3.448 3.448 3.448 . 0 0 "[ ]" 1
347 1 28 LEU H 1 28 LEU MD1 . . 5.350 4.186 4.186 4.186 . 0 0 "[ ]" 1
348 1 28 LEU H 1 28 LEU QD . . 4.770 3.398 3.398 3.398 . 0 0 "[ ]" 1
349 1 28 LEU H 1 28 LEU MD2 . . 5.350 3.594 3.594 3.594 . 0 0 "[ ]" 1
350 1 28 LEU H 1 28 LEU HG . . 2.710 2.799 2.799 2.799 0.089 1 0 "[ ]" 1
351 1 28 LEU HA 1 29 THR H . . 3.020 2.311 2.311 2.311 . 0 0 "[ ]" 1
352 1 28 LEU QB 1 29 THR H . . 4.270 2.801 2.801 2.801 . 0 0 "[ ]" 1
353 1 28 LEU QD 1 29 THR H . . 6.450 3.937 3.937 3.937 . 0 0 "[ ]" 1
354 1 29 THR H 1 29 THR HB . . 3.240 3.362 3.362 3.362 0.122 1 0 "[ ]" 1
355 1 29 THR H 1 30 CYS H . . 3.730 3.724 3.724 3.724 . 0 0 "[ ]" 1
356 1 29 THR HA 1 30 CYS H . . 2.740 2.160 2.160 2.160 . 0 0 "[ ]" 1
357 1 29 THR MG 1 30 CYS H . . 4.570 3.085 3.085 3.085 . 0 0 "[ ]" 1
358 1 30 CYS H 1 30 CYS HB2 . . 3.550 3.129 3.129 3.129 . 0 0 "[ ]" 1
359 1 30 CYS H 1 30 CYS QB . . 3.310 2.664 2.664 2.664 . 0 0 "[ ]" 1
360 1 30 CYS H 1 30 CYS HB3 . . 3.550 2.885 2.885 2.885 . 0 0 "[ ]" 1
361 1 30 CYS HA 1 31 THR H . . 2.930 2.427 2.427 2.427 . 0 0 "[ ]" 1
362 1 31 THR H 1 31 THR HB . . 3.390 2.861 2.861 2.861 . 0 0 "[ ]" 1
363 1 31 THR HA 1 32 THR H . . 2.590 2.594 2.594 2.594 0.004 1 0 "[ ]" 1
364 1 31 THR HA 1 32 THR MG . . 5.600 3.504 3.504 3.504 . 0 0 "[ ]" 1
365 1 31 THR HB 1 32 THR H . . 3.790 3.265 3.265 3.265 . 0 0 "[ ]" 1
366 1 31 THR MG 1 32 THR H . . 4.080 1.877 1.877 1.877 . 0 0 "[ ]" 1
367 1 31 THR MG 1 32 THR MG . . 7.560 4.204 4.204 4.204 . 0 0 "[ ]" 1
368 1 31 THR MG 1 33 PHE QD . . 7.600 3.415 3.415 3.415 . 0 0 "[ ]" 1
369 1 31 THR MG 1 33 PHE QE . . 7.040 2.794 2.794 2.794 . 0 0 "[ ]" 1
370 1 31 THR MG 1 33 PHE HZ . . 4.700 3.792 3.792 3.792 . 0 0 "[ ]" 1
371 1 32 THR H 1 32 THR MG . . 4.510 3.349 3.349 3.349 . 0 0 "[ ]" 1
372 1 32 THR HA 1 33 PHE H . . 3.110 2.202 2.202 2.202 . 0 0 "[ ]" 1
373 1 32 THR HA 1 33 PHE QD . . 7.400 3.394 3.394 3.394 . 0 0 "[ ]" 1
374 1 32 THR HB 1 33 PHE H . . 3.450 3.269 3.269 3.269 . 0 0 "[ ]" 1
375 1 32 THR MG 1 33 PHE H . . 5.290 3.846 3.846 3.846 . 0 0 "[ ]" 1
376 1 33 PHE H 1 33 PHE HB2 . . 3.920 2.328 2.328 2.328 . 0 0 "[ ]" 1
377 1 33 PHE H 1 33 PHE HB3 . . 3.920 3.541 3.541 3.541 . 0 0 "[ ]" 1
378 1 33 PHE H 1 39 VAL MG2 . . 5.470 4.482 4.482 4.482 . 0 0 "[ ]" 1
379 1 33 PHE HA 1 34 GLU H . . 2.870 2.767 2.767 2.767 . 0 0 "[ ]" 1
380 1 33 PHE QB 1 34 GLU H . . 4.520 1.916 1.916 1.916 . 0 0 "[ ]" 1
381 1 33 PHE QB 1 35 ASN H . . 4.270 3.630 3.630 3.630 . 0 0 "[ ]" 1
382 1 33 PHE QD 1 34 GLU H . . 7.560 3.149 3.149 3.149 . 0 0 "[ ]" 1
383 1 33 PHE QD 1 35 ASN H . . 7.190 4.909 4.909 4.909 . 0 0 "[ ]" 1
384 1 33 PHE QD 1 38 GLU QB . . 8.340 4.753 4.753 4.753 . 0 0 "[ ]" 1
385 1 33 PHE QD 1 38 GLU HG2 . . 7.470 3.241 3.241 3.241 . 0 0 "[ ]" 1
386 1 33 PHE QD 1 38 GLU QG . . 7.080 2.782 2.782 2.782 . 0 0 "[ ]" 1
387 1 33 PHE QD 1 38 GLU HG3 . . 7.470 3.028 3.028 3.028 . 0 0 "[ ]" 1
388 1 33 PHE QD 1 42 ALA MB . . 6.980 5.410 5.410 5.410 . 0 0 "[ ]" 1
389 1 33 PHE QE 1 42 ALA MB . . 6.910 4.127 4.127 4.127 . 0 0 "[ ]" 1
390 1 33 PHE QE 1 51 LEU QD . . 10.220 4.964 4.964 4.964 . 0 0 "[ ]" 1
391 1 33 PHE HZ 1 42 ALA MB . . 4.510 3.831 3.831 3.831 . 0 0 "[ ]" 1
392 1 34 GLU H 1 34 GLU HB2 . . 3.390 2.188 2.188 2.188 . 0 0 "[ ]" 1
393 1 34 GLU H 1 34 GLU QB . . 3.140 2.158 2.158 2.158 . 0 0 "[ ]" 1
394 1 34 GLU H 1 34 GLU HB3 . . 3.390 3.288 3.288 3.288 . 0 0 "[ ]" 1
395 1 34 GLU H 1 34 GLU HG2 . . 4.110 4.153 4.153 4.153 0.043 1 0 "[ ]" 1
396 1 34 GLU H 1 34 GLU QG . . 3.840 3.500 3.500 3.500 . 0 0 "[ ]" 1
397 1 34 GLU H 1 34 GLU HG3 . . 4.110 3.769 3.769 3.769 . 0 0 "[ ]" 1
398 1 34 GLU H 1 35 ASN H . . 3.080 2.746 2.746 2.746 . 0 0 "[ ]" 1
399 1 34 GLU H 1 36 GLY H . . 4.170 3.209 3.209 3.209 . 0 0 "[ ]" 1
400 1 34 GLU HA 1 34 GLU HG2 . . 4.070 2.038 2.038 2.038 . 0 0 "[ ]" 1
401 1 34 GLU HA 1 34 GLU QG . . 3.790 2.003 2.003 2.003 . 0 0 "[ ]" 1
402 1 34 GLU HA 1 34 GLU HG3 . . 4.070 2.943 2.943 2.943 . 0 0 "[ ]" 1
403 1 34 GLU QB 1 35 ASN H . . 3.500 2.102 2.102 2.102 . 0 0 "[ ]" 1
404 1 34 GLU HB2 1 35 ASN H . . 3.730 2.647 2.647 2.647 . 0 0 "[ ]" 1
405 1 34 GLU HB3 1 35 ASN H . . 3.730 2.205 2.205 2.205 . 0 0 "[ ]" 1
406 1 34 GLU QG 1 35 ASN H . . 5.170 4.120 4.120 4.120 . 0 0 "[ ]" 1
407 1 35 ASN H 1 35 ASN QB . . 3.780 2.719 2.719 2.719 . 0 0 "[ ]" 1
408 1 35 ASN HA 1 36 GLY H . . 3.480 3.587 3.587 3.587 0.107 1 0 "[ ]" 1
409 1 35 ASN QB 1 36 GLY H . . 4.360 2.752 2.752 2.752 . 0 0 "[ ]" 1
410 1 35 ASN QB 1 37 ASN H . . 4.270 2.276 2.276 2.276 . 0 0 "[ ]" 1
411 1 35 ASN QD 1 38 GLU QG . . 6.560 4.465 4.465 4.465 . 0 0 "[ ]" 1
412 1 36 GLY H 1 37 ASN H . . 3.520 2.177 2.177 2.177 . 0 0 "[ ]" 1
413 1 36 GLY QA 1 39 VAL H . . 4.670 3.169 3.169 3.169 . 0 0 "[ ]" 1
414 1 36 GLY QA 1 39 VAL MG1 . . 6.160 3.303 3.303 3.303 . 0 0 "[ ]" 1
415 1 36 GLY QA 1 39 VAL MG2 . . 4.860 2.456 2.456 2.456 . 0 0 "[ ]" 1
416 1 36 GLY QA 1 60 MET ME . . 5.080 3.204 3.204 3.204 . 0 0 "[ ]" 1
417 1 36 GLY HA2 1 39 VAL MG2 . . 5.100 2.489 2.489 2.489 . 0 0 "[ ]" 1
418 1 36 GLY HA3 1 39 VAL MG2 . . 5.100 3.776 3.776 3.776 . 0 0 "[ ]" 1
419 1 37 ASN H 1 37 ASN HA . . 2.900 2.741 2.741 2.741 . 0 0 "[ ]" 1
420 1 37 ASN H 1 37 ASN HB2 . . 3.050 2.565 2.565 2.565 . 0 0 "[ ]" 1
421 1 37 ASN H 1 37 ASN HB3 . . 2.930 2.390 2.390 2.390 . 0 0 "[ ]" 1
422 1 37 ASN H 1 38 GLU H . . 3.110 3.075 3.075 3.075 . 0 0 "[ ]" 1
423 1 37 ASN H 1 57 MET ME . . 4.880 3.757 3.757 3.757 . 0 0 "[ ]" 1
424 1 37 ASN HA 1 37 ASN HB2 . . 2.710 2.444 2.444 2.444 . 0 0 "[ ]" 1
425 1 37 ASN HA 1 37 ASN HB3 . . 3.050 3.058 3.058 3.058 0.008 1 0 "[ ]" 1
426 1 37 ASN HA 1 38 GLU H . . 3.550 3.645 3.645 3.645 0.095 1 0 "[ ]" 1
427 1 37 ASN HA 1 40 LEU H . . 3.390 3.512 3.512 3.512 0.122 1 0 "[ ]" 1
428 1 37 ASN HA 1 40 LEU QB . . 3.800 3.094 3.094 3.094 . 0 0 "[ ]" 1
429 1 37 ASN HA 1 40 LEU QD . . 5.930 3.574 3.574 3.574 . 0 0 "[ ]" 1
430 1 37 ASN HA 1 57 MET ME . . 4.300 3.374 3.374 3.374 . 0 0 "[ ]" 1
431 1 37 ASN HB2 1 38 GLU H . . 3.830 3.519 3.519 3.519 . 0 0 "[ ]" 1
432 1 37 ASN HB3 1 38 GLU H . . 3.240 1.952 1.952 1.952 . 0 0 "[ ]" 1
433 1 37 ASN QD 1 57 MET ME . . 4.840 2.698 2.698 2.698 . 0 0 "[ ]" 1
434 1 37 ASN HD21 1 57 MET ME . . 4.980 2.735 2.735 2.735 . 0 0 "[ ]" 1
435 1 37 ASN HD22 1 57 MET ME . . 4.980 4.115 4.115 4.115 . 0 0 "[ ]" 1
436 1 38 GLU H 1 38 GLU HG2 . . 3.420 1.946 1.946 1.946 . 0 0 "[ ]" 1
437 1 38 GLU H 1 38 GLU QG . . 3.180 1.935 1.935 1.935 . 0 0 "[ ]" 1
438 1 38 GLU H 1 38 GLU HG3 . . 3.420 3.387 3.387 3.387 . 0 0 "[ ]" 1
439 1 38 GLU H 1 39 VAL H . . 3.210 2.892 2.892 2.892 . 0 0 "[ ]" 1
440 1 38 GLU H 1 40 LEU H . . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
441 1 38 GLU HA 1 38 GLU QG . . 3.790 3.318 3.318 3.318 . 0 0 "[ ]" 1
442 1 38 GLU HA 1 41 ALA H . . 5.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
443 1 38 GLU HA 1 41 ALA MB . . 4.260 3.364 3.364 3.364 . 0 0 "[ ]" 1
444 1 38 GLU QB 1 39 VAL HA . . 4.950 4.285 4.285 4.285 . 0 0 "[ ]" 1
445 1 39 VAL H 1 39 VAL HB . . 3.140 2.183 2.183 2.183 . 0 0 "[ ]" 1
446 1 39 VAL H 1 39 VAL MG1 . . 4.260 3.629 3.629 3.629 . 0 0 "[ ]" 1
447 1 39 VAL H 1 39 VAL MG2 . . 3.860 2.459 2.459 2.459 . 0 0 "[ ]" 1
448 1 39 VAL H 1 40 LEU H . . 3.330 2.755 2.755 2.755 . 0 0 "[ ]" 1
449 1 39 VAL HA 1 42 ALA H . . 3.580 3.197 3.197 3.197 . 0 0 "[ ]" 1
450 1 39 VAL HA 1 42 ALA MB . . 4.820 1.959 1.959 1.959 . 0 0 "[ ]" 1
451 1 39 VAL HB 1 40 LEU H . . 3.240 2.874 2.874 2.874 . 0 0 "[ ]" 1
452 1 39 VAL MG1 1 40 LEU H . . 6.340 3.196 3.196 3.196 . 0 0 "[ ]" 1
453 1 39 VAL MG1 1 42 ALA MB . . 7.560 3.245 3.245 3.245 . 0 0 "[ ]" 1
454 1 39 VAL MG1 1 51 LEU QD . . 6.920 2.243 2.243 2.243 . 0 0 "[ ]" 1
455 1 39 VAL MG2 1 40 LEU H . . 4.980 4.154 4.154 4.154 . 0 0 "[ ]" 1
456 1 39 VAL MG2 1 42 ALA MB . . 6.250 3.197 3.197 3.197 . 0 0 "[ ]" 1
457 1 40 LEU H 1 40 LEU HB2 . . 3.080 2.134 2.134 2.134 . 0 0 "[ ]" 1
458 1 40 LEU H 1 40 LEU HB3 . . 3.080 2.786 2.786 2.786 . 0 0 "[ ]" 1
459 1 40 LEU H 1 40 LEU HG . . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
460 1 40 LEU HA 1 40 LEU HB2 . . 2.960 2.595 2.595 2.595 . 0 0 "[ ]" 1
461 1 40 LEU HA 1 40 LEU HB3 . . 2.960 3.002 3.002 3.002 0.042 1 0 "[ ]" 1
462 1 40 LEU HA 1 40 LEU MD1 . . 4.330 1.922 1.922 1.922 . 0 0 "[ ]" 1
463 1 40 LEU HA 1 40 LEU QD . . 3.660 1.916 1.916 1.916 . 0 0 "[ ]" 1
464 1 40 LEU HA 1 40 LEU MD2 . . 4.330 3.740 3.740 3.740 . 0 0 "[ ]" 1
465 1 40 LEU HA 1 40 LEU HG . . 2.990 3.084 3.084 3.084 0.094 1 0 "[ ]" 1
466 1 40 LEU HA 1 43 LEU H . . 3.550 3.431 3.431 3.431 . 0 0 "[ ]" 1
467 1 40 LEU QB 1 41 ALA H . . 4.080 2.138 2.138 2.138 . 0 0 "[ ]" 1
468 1 40 LEU QB 1 42 ALA H . . 4.580 4.035 4.035 4.035 . 0 0 "[ ]" 1
469 1 40 LEU QD 1 41 ALA H . . 4.910 3.857 3.857 3.857 . 0 0 "[ ]" 1
470 1 40 LEU QD 1 68 GLN HA . . 6.520 4.860 4.860 4.860 . 0 0 "[ ]" 1
471 1 40 LEU QD 1 68 GLN HB2 . . 6.390 4.140 4.140 4.140 . 0 0 "[ ]" 1
472 1 40 LEU QD 1 68 GLN HB3 . . 6.240 3.895 3.895 3.895 . 0 0 "[ ]" 1
473 1 40 LEU QD 1 68 GLN QE . . 8.620 1.879 1.879 1.879 . 0 0 "[ ]" 1
474 1 40 LEU QD 1 68 GLN QG . . 5.710 2.333 2.333 2.333 . 0 0 "[ ]" 1
475 1 40 LEU QD 1 72 ARG QD . . 6.430 2.331 2.331 2.331 . 0 0 "[ ]" 1
476 1 40 LEU MD1 1 41 ALA H . . 5.440 4.395 4.395 4.395 . 0 0 "[ ]" 1
477 1 40 LEU MD1 1 68 GLN HG2 . . 7.340 3.317 3.317 3.317 . 0 0 "[ ]" 1
478 1 40 LEU MD1 1 68 GLN HG3 . . 7.340 3.886 3.886 3.886 . 0 0 "[ ]" 1
479 1 40 LEU MD1 1 72 ARG HD2 . . 8.150 2.565 2.565 2.565 . 0 0 "[ ]" 1
480 1 40 LEU MD1 1 72 ARG HD3 . . 8.150 2.772 2.772 2.772 . 0 0 "[ ]" 1
481 1 40 LEU MD2 1 41 ALA H . . 5.440 4.270 4.270 4.270 . 0 0 "[ ]" 1
482 1 40 LEU MD2 1 68 GLN HG2 . . 7.340 3.203 3.203 3.203 . 0 0 "[ ]" 1
483 1 40 LEU MD2 1 68 GLN HG3 . . 7.340 2.486 2.486 2.486 . 0 0 "[ ]" 1
484 1 40 LEU MD2 1 72 ARG HD2 . . 8.150 3.641 3.641 3.641 . 0 0 "[ ]" 1
485 1 40 LEU MD2 1 72 ARG HD3 . . 8.150 4.806 4.806 4.806 . 0 0 "[ ]" 1
486 1 40 LEU HG 1 41 ALA H . . 3.950 3.858 3.858 3.858 . 0 0 "[ ]" 1
487 1 41 ALA H 1 41 ALA HA . . 2.710 2.799 2.799 2.799 0.089 1 0 "[ ]" 1
488 1 41 ALA H 1 41 ALA MB . . 3.520 2.157 2.157 2.157 . 0 0 "[ ]" 1
489 1 41 ALA H 1 42 ALA H . . 2.990 2.639 2.639 2.639 . 0 0 "[ ]" 1
490 1 41 ALA HA 1 44 ALA H . . 3.450 3.488 3.488 3.488 0.038 1 0 "[ ]" 1
491 1 41 ALA MB 1 42 ALA H . . 4.080 3.152 3.152 3.152 . 0 0 "[ ]" 1
492 1 41 ALA MB 1 43 LEU H . . 5.440 4.367 4.367 4.367 . 0 0 "[ ]" 1
493 1 42 ALA H 1 42 ALA HA . . 2.930 2.923 2.923 2.923 . 0 0 "[ ]" 1
494 1 42 ALA H 1 43 LEU H . . 3.170 2.268 2.268 2.268 . 0 0 "[ ]" 1
495 1 42 ALA H 1 43 LEU HB2 . . 3.700 3.775 3.775 3.775 0.075 1 0 "[ ]" 1
496 1 42 ALA H 1 43 LEU QD . . 6.980 4.842 4.842 4.842 . 0 0 "[ ]" 1
497 1 42 ALA HA 1 43 LEU H . . 3.450 3.313 3.313 3.313 . 0 0 "[ ]" 1
498 1 43 LEU H 1 43 LEU HB2 . . 3.080 2.166 2.166 2.166 . 0 0 "[ ]" 1
499 1 43 LEU H 1 43 LEU HB3 . . 3.270 3.241 3.241 3.241 . 0 0 "[ ]" 1
500 1 43 LEU H 1 43 LEU MD1 . . 5.440 4.208 4.208 4.208 . 0 0 "[ ]" 1
501 1 43 LEU H 1 43 LEU QD . . 4.810 3.720 3.720 3.720 . 0 0 "[ ]" 1
502 1 43 LEU H 1 43 LEU MD2 . . 5.440 4.145 4.145 4.145 . 0 0 "[ ]" 1
503 1 43 LEU H 1 43 LEU HG . . 3.730 3.774 3.774 3.774 0.044 1 0 "[ ]" 1
504 1 43 LEU H 1 44 ALA H . . 3.140 2.121 2.121 2.121 . 0 0 "[ ]" 1
505 1 43 LEU H 1 44 ALA MB . . 5.190 3.736 3.736 3.736 . 0 0 "[ ]" 1
506 1 43 LEU HA 1 44 ALA H . . 3.480 3.547 3.547 3.547 0.067 1 0 "[ ]" 1
507 1 43 LEU HA 1 46 LYS H . . 3.240 3.521 3.521 3.521 0.281 1 0 "[ ]" 1
508 1 43 LEU HB2 1 44 ALA H . . 3.450 3.342 3.342 3.342 . 0 0 "[ ]" 1
509 1 43 LEU HB2 1 72 ARG QB . . 5.260 3.724 3.724 3.724 . 0 0 "[ ]" 1
510 1 43 LEU HB3 1 44 ALA H . . 3.330 3.385 3.385 3.385 0.055 1 0 "[ ]" 1
511 1 43 LEU QD 1 44 ALA H . . 6.860 4.194 4.194 4.194 . 0 0 "[ ]" 1
512 1 43 LEU QD 1 46 LYS H . . 7.010 4.475 4.475 4.475 . 0 0 "[ ]" 1
513 1 43 LEU QD 1 46 LYS QB . . 7.420 4.257 4.257 4.257 . 0 0 "[ ]" 1
514 1 43 LEU QD 1 47 THR HA . . 6.210 1.839 1.839 1.839 . 0 0 "[ ]" 1
515 1 43 LEU QD 1 48 PRO QD . . 5.760 1.908 1.908 1.908 . 0 0 "[ ]" 1
516 1 43 LEU QD 1 51 LEU HG . . 5.520 3.699 3.699 3.699 . 0 0 "[ ]" 1
517 1 43 LEU QD 1 76 LEU QD . . 6.600 1.771 1.771 1.771 . 0 0 "[ ]" 1
518 1 43 LEU MD1 1 48 PRO HD2 . . 7.040 4.112 4.112 4.112 . 0 0 "[ ]" 1
519 1 43 LEU MD1 1 48 PRO HD3 . . 7.040 4.803 4.803 4.803 . 0 0 "[ ]" 1
520 1 43 LEU MD1 1 76 LEU MD1 . . 8.710 4.527 4.527 4.527 . 0 0 "[ ]" 1
521 1 43 LEU MD1 1 76 LEU MD2 . . 8.710 2.544 2.544 2.544 . 0 0 "[ ]" 1
522 1 43 LEU MD2 1 48 PRO HD2 . . 7.040 2.042 2.042 2.042 . 0 0 "[ ]" 1
523 1 43 LEU MD2 1 48 PRO HD3 . . 7.040 2.307 2.307 2.307 . 0 0 "[ ]" 1
524 1 43 LEU MD2 1 76 LEU MD1 . . 8.710 3.182 3.182 3.182 . 0 0 "[ ]" 1
525 1 43 LEU MD2 1 76 LEU MD2 . . 8.710 1.819 1.819 1.819 . 0 0 "[ ]" 1
526 1 44 ALA H 1 44 ALA HA . . 2.800 2.889 2.889 2.889 0.089 1 0 "[ ]" 1
527 1 44 ALA H 1 44 ALA MB . . 3.580 2.054 2.054 2.054 . 0 0 "[ ]" 1
528 1 44 ALA H 1 45 SER H . . 2.990 2.591 2.591 2.591 . 0 0 "[ ]" 1
529 1 44 ALA H 1 45 SER QB . . 4.610 4.097 4.097 4.097 . 0 0 "[ ]" 1
530 1 44 ALA H 1 46 LYS H . . 5.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
531 1 44 ALA HA 1 45 SER H . . 3.330 3.225 3.225 3.225 . 0 0 "[ ]" 1
532 1 44 ALA HA 1 46 LYS H . . 5.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
533 1 44 ALA MB 1 72 ARG HA . . 3.710 2.736 2.736 2.736 . 0 0 "[ ]" 1
534 1 45 SER H 1 45 SER HB2 . . 3.580 3.758 3.758 3.758 0.178 1 0 "[ ]" 1
535 1 45 SER H 1 45 SER QB . . 3.270 2.694 2.694 2.694 . 0 0 "[ ]" 1
536 1 45 SER H 1 45 SER HB3 . . 3.580 2.760 2.760 2.760 . 0 0 "[ ]" 1
537 1 45 SER H 1 46 LYS H . . 2.620 2.194 2.194 2.194 . 0 0 "[ ]" 1
538 1 45 SER HA 1 45 SER HB2 . . 2.930 2.347 2.347 2.347 . 0 0 "[ ]" 1
539 1 45 SER HA 1 45 SER HB3 . . 2.930 2.614 2.614 2.614 . 0 0 "[ ]" 1
540 1 45 SER HB2 1 46 LYS H . . 3.420 3.739 3.739 3.739 0.319 1 0 "[ ]" 1
541 1 45 SER HB3 1 46 LYS H . . 3.420 3.518 3.518 3.518 0.098 1 0 "[ ]" 1
542 1 46 LYS H 1 46 LYS HB2 . . 3.240 2.481 2.481 2.481 . 0 0 "[ ]" 1
543 1 46 LYS H 1 46 LYS HB3 . . 3.240 2.792 2.792 2.792 . 0 0 "[ ]" 1
544 1 46 LYS H 1 46 LYS HG2 . . 5.500 4.749 4.749 4.749 . 0 0 "[ ]" 1
545 1 46 LYS H 1 46 LYS QG . . 4.950 4.079 4.079 4.079 . 0 0 "[ ]" 1
546 1 46 LYS H 1 46 LYS HG3 . . 5.500 4.444 4.444 4.444 . 0 0 "[ ]" 1
547 1 46 LYS H 1 47 THR H . . 3.860 2.742 2.742 2.742 . 0 0 "[ ]" 1
548 1 46 LYS HA 1 46 LYS HB2 . . 2.960 2.648 2.648 2.648 . 0 0 "[ ]" 1
549 1 46 LYS HA 1 46 LYS HB3 . . 2.960 2.998 2.998 2.998 0.038 1 0 "[ ]" 1
550 1 46 LYS HA 1 46 LYS HG2 . . 4.010 3.539 3.539 3.539 . 0 0 "[ ]" 1
551 1 46 LYS HA 1 46 LYS QG . . 3.850 2.243 2.243 2.243 . 0 0 "[ ]" 1
552 1 46 LYS HA 1 46 LYS HG3 . . 4.010 2.268 2.268 2.268 . 0 0 "[ ]" 1
553 1 46 LYS HB2 1 47 THR H . . 3.240 3.314 3.314 3.314 0.074 1 0 "[ ]" 1
554 1 46 LYS HB3 1 47 THR H . . 3.240 1.910 1.910 1.910 . 0 0 "[ ]" 1
555 1 46 LYS HG2 1 47 THR H . . 3.890 3.911 3.911 3.911 0.021 1 0 "[ ]" 1
556 1 46 LYS HG3 1 47 THR H . . 3.890 3.926 3.926 3.926 0.036 1 0 "[ ]" 1
557 1 47 THR H 1 47 THR HB . . 3.020 3.122 3.122 3.122 0.102 1 0 "[ ]" 1
558 1 47 THR HA 1 48 PRO HD2 . . 3.480 2.161 2.161 2.161 . 0 0 "[ ]" 1
559 1 47 THR HA 1 48 PRO HD3 . . 3.480 2.091 2.091 2.091 . 0 0 "[ ]" 1
560 1 47 THR HB 1 48 PRO QD . . 5.110 4.282 4.282 4.282 . 0 0 "[ ]" 1
561 1 47 THR HB 1 76 LEU MD1 . . 5.230 4.236 4.236 4.236 . 0 0 "[ ]" 1
562 1 47 THR HB 1 76 LEU MD2 . . 5.230 4.142 4.142 4.142 . 0 0 "[ ]" 1
563 1 48 PRO HA 1 49 ASP H . . 3.210 2.783 2.783 2.783 . 0 0 "[ ]" 1
564 1 48 PRO HA 1 50 VAL H . . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
565 1 48 PRO QB 1 49 ASP H . . 3.490 1.928 1.928 1.928 . 0 0 "[ ]" 1
566 1 48 PRO QB 1 50 VAL H . . 4.520 2.231 2.231 2.231 . 0 0 "[ ]" 1
567 1 48 PRO HB2 1 49 ASP H . . 3.700 1.948 1.948 1.948 . 0 0 "[ ]" 1
568 1 48 PRO HB3 1 49 ASP H . . 3.700 3.101 3.101 3.101 . 0 0 "[ ]" 1
569 1 48 PRO QD 1 76 LEU QD . . 7.110 2.495 2.495 2.495 . 0 0 "[ ]" 1
570 1 48 PRO HG2 1 49 ASP H . . 4.230 3.998 3.998 3.998 . 0 0 "[ ]" 1
571 1 49 ASP H 1 50 VAL H . . 3.050 2.357 2.357 2.357 . 0 0 "[ ]" 1
572 1 49 ASP H 1 50 VAL QG . . 6.940 3.530 3.530 3.530 . 0 0 "[ ]" 1
573 1 49 ASP HA 1 50 VAL H . . 3.330 3.467 3.467 3.467 0.137 1 0 "[ ]" 1
574 1 49 ASP HA 1 50 VAL QG . . 6.760 4.314 4.314 4.314 . 0 0 "[ ]" 1
575 1 49 ASP HA 1 76 LEU QD . . 7.110 3.206 3.206 3.206 . 0 0 "[ ]" 1
576 1 49 ASP QB 1 50 VAL QG . . 8.620 2.737 2.737 2.737 . 0 0 "[ ]" 1
577 1 49 ASP QB 1 119 ILE HA . . 6.380 3.960 3.960 3.960 . 0 0 "[ ]" 1
578 1 50 VAL H 1 50 VAL HB . . 3.520 3.600 3.600 3.600 0.080 1 0 "[ ]" 1
579 1 50 VAL H 1 51 LEU H . . 5.500 4.328 4.328 4.328 . 0 0 "[ ]" 1
580 1 50 VAL H 1 76 LEU QD . . 7.010 3.481 3.481 3.481 . 0 0 "[ ]" 1
581 1 50 VAL H 1 119 ILE QG . . 5.070 4.504 4.504 4.504 . 0 0 "[ ]" 1
582 1 50 VAL HA 1 51 LEU H . . 2.960 2.492 2.492 2.492 . 0 0 "[ ]" 1
583 1 50 VAL HA 1 76 LEU MD1 . . 5.040 3.232 3.232 3.232 . 0 0 "[ ]" 1
584 1 50 VAL HA 1 76 LEU QD . . 4.290 3.110 3.110 3.110 . 0 0 "[ ]" 1
585 1 50 VAL HA 1 76 LEU MD2 . . 5.040 4.043 4.043 4.043 . 0 0 "[ ]" 1
586 1 50 VAL HA 1 76 LEU HG . . 4.450 3.283 3.283 3.283 . 0 0 "[ ]" 1
587 1 50 VAL HA 1 77 PRO HG2 . . 3.760 2.050 2.050 2.050 . 0 0 "[ ]" 1
588 1 50 VAL HA 1 77 PRO QG . . 3.580 2.041 2.041 2.041 . 0 0 "[ ]" 1
589 1 50 VAL HA 1 77 PRO HG3 . . 3.760 3.763 3.763 3.763 0.003 1 0 "[ ]" 1
590 1 50 VAL HB 1 51 LEU H . . 3.610 3.749 3.749 3.749 0.139 1 0 "[ ]" 1
591 1 50 VAL QG 1 51 LEU H . . 5.730 1.803 1.803 1.803 . 0 0 "[ ]" 1
592 1 50 VAL QG 1 51 LEU HA . . 6.600 3.094 3.094 3.094 . 0 0 "[ ]" 1
593 1 50 VAL QG 1 77 PRO QB . . 8.960 2.020 2.020 2.020 . 0 0 "[ ]" 1
594 1 50 VAL QG 1 77 PRO QG . . 7.290 2.479 2.479 2.479 . 0 0 "[ ]" 1
595 1 50 VAL QG 1 78 VAL HA . . 6.040 3.733 3.733 3.733 . 0 0 "[ ]" 1
596 1 50 VAL QG 1 79 ILE H . . 6.480 4.037 4.037 4.037 . 0 0 "[ ]" 1
597 1 50 VAL QG 1 115 VAL QG . . 7.580 1.632 1.632 1.632 . 0 0 "[ ]" 1
598 1 51 LEU H 1 51 LEU QB . . 3.710 2.812 2.812 2.812 . 0 0 "[ ]" 1
599 1 51 LEU H 1 51 LEU HG . . 4.910 3.896 3.896 3.896 . 0 0 "[ ]" 1
600 1 51 LEU H 1 76 LEU QD . . 6.640 4.133 4.133 4.133 . 0 0 "[ ]" 1
601 1 51 LEU H 1 76 LEU HG . . 4.480 4.506 4.506 4.506 0.026 1 0 "[ ]" 1
602 1 51 LEU H 1 78 VAL HA . . 3.610 2.857 2.857 2.857 . 0 0 "[ ]" 1
603 1 51 LEU H 1 78 VAL QG . . 6.290 3.688 3.688 3.688 . 0 0 "[ ]" 1
604 1 51 LEU HA 1 52 LEU H . . 3.110 2.445 2.445 2.445 . 0 0 "[ ]" 1
605 1 51 LEU QD 1 52 LEU H . . 4.350 1.828 1.828 1.828 . 0 0 "[ ]" 1
606 1 51 LEU QD 1 52 LEU HA . . 7.070 3.721 3.721 3.721 . 0 0 "[ ]" 1
607 1 51 LEU QD 1 53 SER QB . . 8.040 3.726 3.726 3.726 . 0 0 "[ ]" 1
608 1 51 LEU QD 1 76 LEU QD . . 9.800 2.847 2.847 2.847 . 0 0 "[ ]" 1
609 1 51 LEU QD 1 78 VAL HB . . 6.050 4.018 4.018 4.018 . 0 0 "[ ]" 1
610 1 51 LEU MD1 1 52 LEU H . . 4.700 1.831 1.831 1.831 . 0 0 "[ ]" 1
611 1 51 LEU MD2 1 52 LEU H . . 4.700 3.981 3.981 3.981 . 0 0 "[ ]" 1
612 1 51 LEU HG 1 52 LEU H . . 4.110 2.670 2.670 2.670 . 0 0 "[ ]" 1
613 1 51 LEU HG 1 52 LEU QB . . 4.700 4.300 4.300 4.300 . 0 0 "[ ]" 1
614 1 52 LEU H 1 52 LEU HB2 . . 3.450 2.325 2.325 2.325 . 0 0 "[ ]" 1
615 1 52 LEU H 1 52 LEU QB . . 3.280 2.261 2.261 2.261 . 0 0 "[ ]" 1
616 1 52 LEU H 1 52 LEU HB3 . . 3.450 3.090 3.090 3.090 . 0 0 "[ ]" 1
617 1 52 LEU H 1 52 LEU MD1 . . 5.410 4.246 4.246 4.246 . 0 0 "[ ]" 1
618 1 52 LEU H 1 52 LEU QD . . 4.940 3.820 3.820 3.820 . 0 0 "[ ]" 1
619 1 52 LEU H 1 52 LEU MD2 . . 5.410 4.333 4.333 4.333 . 0 0 "[ ]" 1
620 1 52 LEU H 1 78 VAL QG . . 6.230 4.169 4.169 4.169 . 0 0 "[ ]" 1
621 1 52 LEU HA 1 53 SER H . . 3.020 2.942 2.942 2.942 . 0 0 "[ ]" 1
622 1 52 LEU HA 1 78 VAL QG . . 6.570 3.766 3.766 3.766 . 0 0 "[ ]" 1
623 1 52 LEU HA 1 79 ILE HB . . 4.510 3.691 3.691 3.691 . 0 0 "[ ]" 1
624 1 52 LEU HA 1 79 ILE MD . . 4.790 3.945 3.945 3.945 . 0 0 "[ ]" 1
625 1 52 LEU HA 1 79 ILE MG . . 5.350 1.697 1.697 1.697 . 0 0 "[ ]" 1
626 1 52 LEU QB 1 53 SER HA . . 4.520 3.656 3.656 3.656 . 0 0 "[ ]" 1
627 1 52 LEU QB 1 79 ILE MG . . 5.610 3.193 3.193 3.193 . 0 0 "[ ]" 1
628 1 52 LEU HB2 1 53 SER H . . 3.730 3.509 3.509 3.509 . 0 0 "[ ]" 1
629 1 52 LEU HB3 1 53 SER H . . 3.730 1.979 1.979 1.979 . 0 0 "[ ]" 1
630 1 52 LEU QD 1 53 SER H . . 6.080 1.766 1.766 1.766 . 0 0 "[ ]" 1
631 1 52 LEU QD 1 53 SER HA . . 7.480 3.891 3.891 3.891 . 0 0 "[ ]" 1
632 1 52 LEU QD 1 53 SER QB . . 8.040 3.481 3.481 3.481 . 0 0 "[ ]" 1
633 1 52 LEU QD 1 81 MET HB3 . . 5.650 3.902 3.902 3.902 . 0 0 "[ ]" 1
634 1 52 LEU QD 1 81 MET ME . . 8.320 1.794 1.794 1.794 . 0 0 "[ ]" 1
635 1 52 LEU QD 1 101 TYR HA . . 7.110 4.941 4.941 4.941 . 0 0 "[ ]" 1
636 1 52 LEU QD 1 102 LEU QB . . 5.870 2.616 2.616 2.616 . 0 0 "[ ]" 1
637 1 52 LEU QD 1 102 LEU QD . . 7.590 2.408 2.408 2.408 . 0 0 "[ ]" 1
638 1 52 LEU QD 1 111 ALA MB . . 6.770 3.606 3.606 3.606 . 0 0 "[ ]" 1
639 1 52 LEU QD 1 114 LEU QB . . 8.140 5.318 5.318 5.318 . 0 0 "[ ]" 1
640 1 52 LEU HG 1 53 SER H . . 4.540 3.701 3.701 3.701 . 0 0 "[ ]" 1
641 1 53 SER H 1 53 SER HB2 . . 3.760 3.246 3.246 3.246 . 0 0 "[ ]" 1
642 1 53 SER H 1 53 SER QB . . 3.500 3.077 3.077 3.077 . 0 0 "[ ]" 1
643 1 53 SER H 1 53 SER HB3 . . 3.760 3.817 3.817 3.817 0.057 1 0 "[ ]" 1
644 1 53 SER H 1 78 VAL QG . . 6.910 4.585 4.585 4.585 . 0 0 "[ ]" 1
645 1 53 SER H 1 81 MET HB2 . . 4.820 3.586 3.586 3.586 . 0 0 "[ ]" 1
646 1 55 ILE H 1 55 ILE MD . . 5.100 4.225 4.225 4.225 . 0 0 "[ ]" 1
647 1 55 ILE H 1 56 ARG H . . 3.950 4.153 4.153 4.153 0.203 1 0 "[ ]" 1
648 1 55 ILE H 1 80 ILE MD . . 6.120 4.965 4.965 4.965 . 0 0 "[ ]" 1
649 1 55 ILE H 1 81 MET HB2 . . 4.910 4.122 4.122 4.122 . 0 0 "[ ]" 1
650 1 55 ILE H 1 82 THR HB . . 4.660 3.993 3.993 3.993 . 0 0 "[ ]" 1
651 1 55 ILE H 1 82 THR MG . . 5.190 4.141 4.141 4.141 . 0 0 "[ ]" 1
652 1 55 ILE HB 1 56 ARG H . . 3.790 3.459 3.459 3.459 . 0 0 "[ ]" 1
653 1 55 ILE MG 1 56 ARG H . . 5.940 1.831 1.831 1.831 . 0 0 "[ ]" 1
654 1 55 ILE MG 1 61 ASP QB . . 5.950 3.396 3.396 3.396 . 0 0 "[ ]" 1
655 1 55 ILE MG 1 62 GLY QA . . 6.100 4.554 4.554 4.554 . 0 0 "[ ]" 1
656 1 56 ARG HA 1 56 ARG QG . . 3.880 3.374 3.374 3.374 . 0 0 "[ ]" 1
657 1 56 ARG HA 1 57 MET H . . 2.930 2.861 2.861 2.861 . 0 0 "[ ]" 1
658 1 56 ARG QG 1 57 MET H . . 5.200 3.719 3.719 3.719 . 0 0 "[ ]" 1
659 1 57 MET H 1 57 MET ME . . 5.070 4.048 4.048 4.048 . 0 0 "[ ]" 1
660 1 57 MET H 1 57 MET QG . . 4.950 2.125 2.125 2.125 . 0 0 "[ ]" 1
661 1 57 MET ME 1 58 PRO QD . . 5.610 3.981 3.981 3.981 . 0 0 "[ ]" 1
662 1 57 MET QG 1 58 PRO QD . . 6.230 3.840 3.840 3.840 . 0 0 "[ ]" 1
663 1 58 PRO HA 1 59 GLY H . . 3.140 2.576 2.576 2.576 . 0 0 "[ ]" 1
664 1 58 PRO HA 1 61 ASP HB2 . . 3.550 3.652 3.652 3.652 0.102 1 0 "[ ]" 1
665 1 58 PRO HA 1 61 ASP HB3 . . 3.550 3.741 3.741 3.741 0.191 1 0 "[ ]" 1
666 1 58 PRO HB2 1 59 GLY H . . 3.730 2.381 2.381 2.381 . 0 0 "[ ]" 1
667 1 58 PRO HB3 1 59 GLY H . . 3.730 3.248 3.248 3.248 . 0 0 "[ ]" 1
668 1 58 PRO QD 1 60 MET H . . 5.760 5.097 5.097 5.097 . 0 0 "[ ]" 1
669 1 58 PRO QG 1 59 GLY H . . 5.420 4.153 4.153 4.153 . 0 0 "[ ]" 1
670 1 59 GLY H 1 60 MET H . . 3.580 3.131 3.131 3.131 . 0 0 "[ ]" 1
671 1 59 GLY QA 1 60 MET H . . 3.130 2.822 2.822 2.822 . 0 0 "[ ]" 1
672 1 59 GLY HA2 1 60 MET H . . 3.480 3.602 3.602 3.602 0.122 1 0 "[ ]" 1
673 1 59 GLY HA3 1 60 MET H . . 3.480 2.948 2.948 2.948 . 0 0 "[ ]" 1
674 1 60 MET H 1 60 MET HB2 . . 3.080 3.271 3.271 3.271 0.191 1 0 "[ ]" 1
675 1 60 MET H 1 60 MET HB3 . . 3.080 2.682 2.682 2.682 . 0 0 "[ ]" 1
676 1 60 MET H 1 60 MET ME . . 5.350 4.315 4.315 4.315 . 0 0 "[ ]" 1
677 1 60 MET H 1 61 ASP H . . 3.420 2.764 2.764 2.764 . 0 0 "[ ]" 1
678 1 60 MET QB 1 61 ASP H . . 3.370 1.876 1.876 1.876 . 0 0 "[ ]" 1
679 1 60 MET HB2 1 61 ASP H . . 3.580 3.456 3.456 3.456 . 0 0 "[ ]" 1
680 1 60 MET HB3 1 61 ASP H . . 3.580 1.884 1.884 1.884 . 0 0 "[ ]" 1
681 1 60 MET ME 1 61 ASP H . . 5.130 1.965 1.965 1.965 . 0 0 "[ ]" 1
682 1 60 MET ME 1 61 ASP HA . . 4.540 2.136 2.136 2.136 . 0 0 "[ ]" 1
683 1 60 MET ME 1 62 GLY H . . 4.950 3.389 3.389 3.389 . 0 0 "[ ]" 1
684 1 60 MET ME 1 62 GLY HA2 . . 5.290 3.402 3.402 3.402 . 0 0 "[ ]" 1
685 1 60 MET ME 1 62 GLY QA . . 4.970 3.282 3.282 3.282 . 0 0 "[ ]" 1
686 1 60 MET ME 1 62 GLY HA3 . . 5.290 4.314 4.314 4.314 . 0 0 "[ ]" 1
687 1 61 ASP H 1 61 ASP HB2 . . 3.480 3.181 3.181 3.181 . 0 0 "[ ]" 1
688 1 61 ASP H 1 61 ASP QB . . 3.250 2.900 2.900 2.900 . 0 0 "[ ]" 1
689 1 61 ASP H 1 61 ASP HB3 . . 3.480 3.343 3.343 3.343 . 0 0 "[ ]" 1
690 1 61 ASP H 1 64 ALA MB . . 4.700 4.187 4.187 4.187 . 0 0 "[ ]" 1
691 1 61 ASP HA 1 62 GLY H . . 3.550 2.544 2.544 2.544 . 0 0 "[ ]" 1
692 1 61 ASP QB 1 62 GLY H . . 3.580 3.318 3.318 3.318 . 0 0 "[ ]" 1
693 1 61 ASP HB2 1 62 GLY H . . 3.790 3.649 3.649 3.649 . 0 0 "[ ]" 1
694 1 61 ASP HB3 1 62 GLY H . . 3.790 3.811 3.811 3.811 0.021 1 0 "[ ]" 1
695 1 62 GLY H 1 63 LEU QD . . 7.010 5.093 5.093 5.093 . 0 0 "[ ]" 1
696 1 62 GLY QA 1 63 LEU QD . . 6.650 4.585 4.585 4.585 . 0 0 "[ ]" 1
697 1 63 LEU H 1 63 LEU HB2 . . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
698 1 63 LEU H 1 63 LEU QB . . 3.090 2.046 2.046 2.046 . 0 0 "[ ]" 1
699 1 63 LEU H 1 63 LEU HB3 . . 3.300 2.097 2.097 2.097 . 0 0 "[ ]" 1
700 1 63 LEU H 1 63 LEU MD1 . . 5.320 3.488 3.488 3.488 . 0 0 "[ ]" 1
701 1 63 LEU H 1 63 LEU QD . . 4.600 3.305 3.305 3.305 . 0 0 "[ ]" 1
702 1 63 LEU H 1 63 LEU MD2 . . 5.320 4.094 4.094 4.094 . 0 0 "[ ]" 1
703 1 63 LEU H 1 64 ALA H . . 3.140 2.768 2.768 2.768 . 0 0 "[ ]" 1
704 1 63 LEU HA 1 63 LEU MD1 . . 4.640 3.624 3.624 3.624 . 0 0 "[ ]" 1
705 1 63 LEU HA 1 63 LEU QD . . 3.980 2.139 2.139 2.139 . 0 0 "[ ]" 1
706 1 63 LEU HA 1 63 LEU MD2 . . 4.640 2.155 2.155 2.155 . 0 0 "[ ]" 1
707 1 63 LEU QB 1 64 ALA H . . 4.140 2.830 2.830 2.830 . 0 0 "[ ]" 1
708 1 63 LEU QD 1 64 ALA H . . 5.310 2.061 2.061 2.061 . 0 0 "[ ]" 1
709 1 63 LEU QD 1 65 LEU H . . 6.550 4.047 4.047 4.047 . 0 0 "[ ]" 1
710 1 63 LEU QD 1 93 ALA H . . 6.860 4.619 4.619 4.619 . 0 0 "[ ]" 1
711 1 63 LEU MD1 1 64 ALA H . . 5.910 2.072 2.072 2.072 . 0 0 "[ ]" 1
712 1 63 LEU MD2 1 64 ALA H . . 5.910 3.655 3.655 3.655 . 0 0 "[ ]" 1
713 1 63 LEU HG 1 64 ALA H . . 4.260 4.575 4.575 4.575 0.315 1 0 "[ ]" 1
714 1 63 LEU HG 1 89 ALA H . . 4.660 4.507 4.507 4.507 . 0 0 "[ ]" 1
715 1 64 ALA H 1 65 LEU H . . 5.500 4.621 4.621 4.621 . 0 0 "[ ]" 1
716 1 64 ALA MB 1 66 LEU H . . 4.980 3.972 3.972 3.972 . 0 0 "[ ]" 1
717 1 64 ALA MB 1 68 GLN HE21 . . 6.250 5.121 5.121 5.121 . 0 0 "[ ]" 1
718 1 64 ALA MB 1 68 GLN QE . . 5.970 3.875 3.875 3.875 . 0 0 "[ ]" 1
719 1 64 ALA MB 1 68 GLN HE22 . . 6.250 4.011 4.011 4.011 . 0 0 "[ ]" 1
720 1 65 LEU H 1 66 LEU H . . 3.550 3.489 3.489 3.489 . 0 0 "[ ]" 1
721 1 66 LEU H 1 67 LYS H . . 3.450 1.907 1.907 1.907 . 0 0 "[ ]" 1
722 1 66 LEU HA 1 67 LYS H . . 3.420 3.514 3.514 3.514 0.094 1 0 "[ ]" 1
723 1 66 LEU HA 1 69 ILE H . . 3.920 3.901 3.901 3.901 . 0 0 "[ ]" 1
724 1 67 LYS H 1 67 LYS HA . . 2.870 2.872 2.872 2.872 0.002 1 0 "[ ]" 1
725 1 67 LYS H 1 67 LYS HB2 . . 2.650 2.082 2.082 2.082 . 0 0 "[ ]" 1
726 1 67 LYS H 1 67 LYS QD . . 5.040 4.126 4.126 4.126 . 0 0 "[ ]" 1
727 1 67 LYS H 1 67 LYS HG2 . . 4.450 4.435 4.435 4.435 . 0 0 "[ ]" 1
728 1 67 LYS H 1 67 LYS QG . . 3.980 3.497 3.497 3.497 . 0 0 "[ ]" 1
729 1 67 LYS H 1 67 LYS HG3 . . 4.450 3.661 3.661 3.661 . 0 0 "[ ]" 1
730 1 67 LYS HA 1 67 LYS HB2 . . 2.770 2.871 2.871 2.871 0.101 1 0 "[ ]" 1
731 1 67 LYS HA 1 67 LYS QD . . 4.760 3.900 3.900 3.900 . 0 0 "[ ]" 1
732 1 67 LYS HA 1 67 LYS QE . . 5.540 4.271 4.271 4.271 . 0 0 "[ ]" 1
733 1 67 LYS HA 1 67 LYS HG2 . . 3.950 2.485 2.485 2.485 . 0 0 "[ ]" 1
734 1 67 LYS HA 1 67 LYS HG3 . . 3.950 2.315 2.315 2.315 . 0 0 "[ ]" 1
735 1 67 LYS HA 1 70 LYS H . . 3.610 3.309 3.309 3.309 . 0 0 "[ ]" 1
736 1 67 LYS HA 1 70 LYS QB . . 4.110 3.207 3.207 3.207 . 0 0 "[ ]" 1
737 1 67 LYS HA 1 70 LYS QG . . 3.990 2.311 2.311 2.311 . 0 0 "[ ]" 1
738 1 67 LYS HB2 1 68 GLN H . . 2.800 2.859 2.859 2.859 0.059 1 0 "[ ]" 1
739 1 67 LYS QG 1 68 GLN H . . 5.260 4.138 4.138 4.138 . 0 0 "[ ]" 1
740 1 68 GLN H 1 68 GLN HA . . 2.830 2.650 2.650 2.650 . 0 0 "[ ]" 1
741 1 68 GLN H 1 68 GLN HB2 . . 2.960 2.680 2.680 2.680 . 0 0 "[ ]" 1
742 1 68 GLN H 1 68 GLN HB3 . . 2.870 2.327 2.327 2.327 . 0 0 "[ ]" 1
743 1 68 GLN H 1 69 ILE H . . 3.300 2.959 2.959 2.959 . 0 0 "[ ]" 1
744 1 68 GLN HA 1 68 GLN HB2 . . 2.620 2.345 2.345 2.345 . 0 0 "[ ]" 1
745 1 68 GLN HA 1 68 GLN QE . . 5.810 4.102 4.102 4.102 . 0 0 "[ ]" 1
746 1 68 GLN HA 1 68 GLN QG . . 3.610 2.649 2.649 2.649 . 0 0 "[ ]" 1
747 1 68 GLN HA 1 71 GLN QG . . 3.870 2.626 2.626 2.626 . 0 0 "[ ]" 1
748 1 68 GLN HB3 1 68 GLN QG . . 2.620 2.566 2.566 2.566 . 0 0 "[ ]" 1
749 1 68 GLN HB3 1 69 ILE H . . 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 1
750 1 68 GLN QE 1 69 ILE HB . . 4.570 3.833 3.833 3.833 . 0 0 "[ ]" 1
751 1 68 GLN QE 1 69 ILE QG . . 6.020 2.523 2.523 2.523 . 0 0 "[ ]" 1
752 1 68 GLN HE21 1 69 ILE HB . . 4.720 4.164 4.164 4.164 . 0 0 "[ ]" 1
753 1 68 GLN HE21 1 69 ILE HG12 . . 7.070 4.590 4.590 4.590 . 0 0 "[ ]" 1
754 1 68 GLN HE21 1 69 ILE HG13 . . 7.070 3.103 3.103 3.103 . 0 0 "[ ]" 1
755 1 68 GLN HE22 1 69 ILE HB . . 4.720 4.482 4.482 4.482 . 0 0 "[ ]" 1
756 1 68 GLN HE22 1 69 ILE HG12 . . 7.070 4.089 4.089 4.089 . 0 0 "[ ]" 1
757 1 68 GLN HE22 1 69 ILE HG13 . . 7.070 2.726 2.726 2.726 . 0 0 "[ ]" 1
758 1 68 GLN QG 1 69 ILE H . . 5.380 3.674 3.674 3.674 . 0 0 "[ ]" 1
759 1 69 ILE H 1 69 ILE HB . . 3.020 2.057 2.057 2.057 . 0 0 "[ ]" 1
760 1 69 ILE H 1 69 ILE MD . . 5.350 2.210 2.210 2.210 . 0 0 "[ ]" 1
761 1 69 ILE H 1 69 ILE HG12 . . 4.290 4.123 4.123 4.123 . 0 0 "[ ]" 1
762 1 69 ILE H 1 69 ILE QG . . 3.820 3.487 3.487 3.487 . 0 0 "[ ]" 1
763 1 69 ILE H 1 69 ILE HG13 . . 4.290 3.762 3.762 3.762 . 0 0 "[ ]" 1
764 1 69 ILE H 1 69 ILE MG . . 4.610 3.490 3.490 3.490 . 0 0 "[ ]" 1
765 1 69 ILE H 1 70 LYS H . . 3.450 2.734 2.734 2.734 . 0 0 "[ ]" 1
766 1 69 ILE HA 1 69 ILE MD . . 4.760 2.673 2.673 2.673 . 0 0 "[ ]" 1
767 1 69 ILE HA 1 69 ILE QG . . 3.850 2.111 2.111 2.111 . 0 0 "[ ]" 1
768 1 69 ILE HA 1 72 ARG QB . . 5.320 2.454 2.454 2.454 . 0 0 "[ ]" 1
769 1 69 ILE HA 1 73 HIS HD2 . . 4.320 3.625 3.625 3.625 . 0 0 "[ ]" 1
770 1 69 ILE HB 1 70 LYS H . . 3.760 3.063 3.063 3.063 . 0 0 "[ ]" 1
771 1 69 ILE MG 1 70 LYS H . . 4.760 2.801 2.801 2.801 . 0 0 "[ ]" 1
772 1 69 ILE MG 1 70 LYS QG . . 5.850 2.836 2.836 2.836 . 0 0 "[ ]" 1
773 1 69 ILE MG 1 73 HIS H . . 5.440 3.926 3.926 3.926 . 0 0 "[ ]" 1
774 1 69 ILE MG 1 73 HIS QB . . 7.400 4.645 4.645 4.645 . 0 0 "[ ]" 1
775 1 69 ILE MG 1 96 GLN HA . . 5.100 4.330 4.330 4.330 . 0 0 "[ ]" 1
776 1 69 ILE MG 1 98 ALA H . . 4.880 4.039 4.039 4.039 . 0 0 "[ ]" 1
777 1 70 LYS H 1 70 LYS QD . . 5.910 4.032 4.032 4.032 . 0 0 "[ ]" 1
778 1 70 LYS H 1 70 LYS HG2 . . 4.690 2.313 2.313 2.313 . 0 0 "[ ]" 1
779 1 70 LYS H 1 70 LYS HG3 . . 4.690 2.988 2.988 2.988 . 0 0 "[ ]" 1
780 1 70 LYS H 1 71 GLN H . . 3.420 3.453 3.453 3.453 0.033 1 0 "[ ]" 1
781 1 70 LYS HA 1 70 LYS HD2 . . 3.610 3.060 3.060 3.060 . 0 0 "[ ]" 1
782 1 70 LYS HA 1 70 LYS HD3 . . 3.610 3.279 3.279 3.279 . 0 0 "[ ]" 1
783 1 70 LYS HA 1 73 HIS H . . 3.670 3.669 3.669 3.669 . 0 0 "[ ]" 1
784 1 70 LYS HA 1 74 PRO HA . . 2.990 2.393 2.393 2.393 . 0 0 "[ ]" 1
785 1 70 LYS QD 1 71 GLN H . . 5.010 4.387 4.387 4.387 . 0 0 "[ ]" 1
786 1 70 LYS QD 1 74 PRO HA . . 5.230 3.596 3.596 3.596 . 0 0 "[ ]" 1
787 1 71 GLN H 1 71 GLN HA . . 2.900 2.607 2.607 2.607 . 0 0 "[ ]" 1
788 1 71 GLN H 1 71 GLN HG2 . . 3.420 1.949 1.949 1.949 . 0 0 "[ ]" 1
789 1 71 GLN H 1 71 GLN HG3 . . 3.420 3.467 3.467 3.467 0.047 1 0 "[ ]" 1
790 1 71 GLN HA 1 71 GLN HB2 . . 2.770 2.601 2.601 2.601 . 0 0 "[ ]" 1
791 1 71 GLN HA 1 71 GLN QB . . 2.470 2.190 2.190 2.190 . 0 0 "[ ]" 1
792 1 71 GLN HA 1 71 GLN HB3 . . 2.770 2.357 2.357 2.357 . 0 0 "[ ]" 1
793 1 71 GLN HA 1 71 GLN HE21 . . 5.500 3.975 3.975 3.975 . 0 0 "[ ]" 1
794 1 71 GLN HA 1 71 GLN HE22 . . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
795 1 71 GLN HA 1 71 GLN QG . . 3.680 3.301 3.301 3.301 . 0 0 "[ ]" 1
796 1 71 GLN HA 1 74 PRO QB . . 4.610 3.938 3.938 3.938 . 0 0 "[ ]" 1
797 1 71 GLN HA 1 74 PRO QD . . 3.710 3.105 3.105 3.105 . 0 0 "[ ]" 1
798 1 71 GLN QB 1 72 ARG H . . 4.140 3.024 3.024 3.024 . 0 0 "[ ]" 1
799 1 72 ARG H 1 72 ARG HD2 . . 4.630 4.602 4.602 4.602 . 0 0 "[ ]" 1
800 1 72 ARG H 1 72 ARG QD . . 4.420 3.696 3.696 3.696 . 0 0 "[ ]" 1
801 1 72 ARG H 1 72 ARG HD3 . . 4.630 3.893 3.893 3.893 . 0 0 "[ ]" 1
802 1 72 ARG H 1 72 ARG HG2 . . 4.380 2.140 2.140 2.140 . 0 0 "[ ]" 1
803 1 72 ARG H 1 72 ARG QG . . 4.200 2.125 2.125 2.125 . 0 0 "[ ]" 1
804 1 72 ARG H 1 72 ARG HG3 . . 4.380 3.591 3.591 3.591 . 0 0 "[ ]" 1
805 1 72 ARG H 1 73 HIS H . . 3.170 3.008 3.008 3.008 . 0 0 "[ ]" 1
806 1 72 ARG HA 1 72 ARG HD2 . . 4.540 3.534 3.534 3.534 . 0 0 "[ ]" 1
807 1 72 ARG HA 1 72 ARG QD . . 4.280 1.992 1.992 1.992 . 0 0 "[ ]" 1
808 1 72 ARG HA 1 72 ARG HD3 . . 4.540 2.003 2.003 2.003 . 0 0 "[ ]" 1
809 1 72 ARG HA 1 72 ARG HG2 . . 3.610 2.969 2.969 2.969 . 0 0 "[ ]" 1
810 1 72 ARG HA 1 72 ARG QG . . 3.410 2.852 2.852 2.852 . 0 0 "[ ]" 1
811 1 72 ARG HA 1 72 ARG HG3 . . 3.610 3.683 3.683 3.683 0.073 1 0 "[ ]" 1
812 1 72 ARG HA 1 73 HIS H . . 3.520 3.625 3.625 3.625 0.105 1 0 "[ ]" 1
813 1 72 ARG QD 1 73 HIS HD2 . . 5.380 4.200 4.200 4.200 . 0 0 "[ ]" 1
814 1 72 ARG QG 1 73 HIS H . . 4.270 4.138 4.138 4.138 . 0 0 "[ ]" 1
815 1 73 HIS H 1 73 HIS HD2 . . 4.540 3.425 3.425 3.425 . 0 0 "[ ]" 1
816 1 73 HIS H 1 74 PRO HD2 . . 4.820 4.095 4.095 4.095 . 0 0 "[ ]" 1
817 1 73 HIS H 1 74 PRO QD . . 4.490 2.839 2.839 2.839 . 0 0 "[ ]" 1
818 1 73 HIS H 1 74 PRO HD3 . . 4.820 2.895 2.895 2.895 . 0 0 "[ ]" 1
819 1 73 HIS H 1 74 PRO QG . . 5.480 4.501 4.501 4.501 . 0 0 "[ ]" 1
820 1 73 HIS HA 1 74 PRO HD2 . . 3.360 2.219 2.219 2.219 . 0 0 "[ ]" 1
821 1 73 HIS HA 1 74 PRO QD . . 3.170 2.036 2.036 2.036 . 0 0 "[ ]" 1
822 1 73 HIS HA 1 74 PRO HD3 . . 3.360 2.369 2.369 2.369 . 0 0 "[ ]" 1
823 1 73 HIS HA 1 76 LEU QD . . 6.760 3.225 3.225 3.225 . 0 0 "[ ]" 1
824 1 73 HIS QB 1 76 LEU H . . 4.890 3.398 3.398 3.398 . 0 0 "[ ]" 1
825 1 73 HIS QB 1 76 LEU HB2 . . 6.250 3.565 3.565 3.565 . 0 0 "[ ]" 1
826 1 73 HIS QB 1 76 LEU HB3 . . 6.250 2.004 2.004 2.004 . 0 0 "[ ]" 1
827 1 73 HIS QB 1 76 LEU QD . . 7.700 1.780 1.780 1.780 . 0 0 "[ ]" 1
828 1 73 HIS HE1 1 78 VAL QG . . 6.510 2.668 2.668 2.668 . 0 0 "[ ]" 1
829 1 75 MET H 1 75 MET HB2 . . 3.240 2.242 2.242 2.242 . 0 0 "[ ]" 1
830 1 75 MET H 1 75 MET QB . . 2.960 2.205 2.205 2.205 . 0 0 "[ ]" 1
831 1 75 MET H 1 75 MET HB3 . . 3.240 3.257 3.257 3.257 0.017 1 0 "[ ]" 1
832 1 75 MET H 1 75 MET HG2 . . 4.140 4.017 4.017 4.017 . 0 0 "[ ]" 1
833 1 75 MET H 1 75 MET QG . . 3.930 3.618 3.618 3.618 . 0 0 "[ ]" 1
834 1 75 MET H 1 75 MET HG3 . . 4.140 4.109 4.109 4.109 . 0 0 "[ ]" 1
835 1 75 MET H 1 76 LEU H . . 3.240 1.983 1.983 1.983 . 0 0 "[ ]" 1
836 1 75 MET H 1 76 LEU QB . . 4.670 3.707 3.707 3.707 . 0 0 "[ ]" 1
837 1 75 MET HA 1 75 MET HB2 . . 2.900 2.932 2.932 2.932 0.032 1 0 "[ ]" 1
838 1 75 MET HA 1 75 MET HB3 . . 2.900 2.874 2.874 2.874 . 0 0 "[ ]" 1
839 1 75 MET HA 1 75 MET HG2 . . 3.920 2.015 2.015 2.015 . 0 0 "[ ]" 1
840 1 75 MET HA 1 75 MET QG . . 3.570 1.999 1.999 1.999 . 0 0 "[ ]" 1
841 1 75 MET HA 1 75 MET HG3 . . 3.920 3.320 3.320 3.320 . 0 0 "[ ]" 1
842 1 75 MET HA 1 76 LEU H . . 3.550 3.527 3.527 3.527 . 0 0 "[ ]" 1
843 1 75 MET QB 1 76 LEU H . . 4.360 2.985 2.985 2.985 . 0 0 "[ ]" 1
844 1 76 LEU H 1 76 LEU HB2 . . 3.210 2.562 2.562 2.562 . 0 0 "[ ]" 1
845 1 76 LEU H 1 76 LEU QB . . 2.930 2.151 2.151 2.151 . 0 0 "[ ]" 1
846 1 76 LEU H 1 76 LEU HB3 . . 3.210 2.312 2.312 2.312 . 0 0 "[ ]" 1
847 1 76 LEU H 1 77 PRO QD . . 6.380 4.243 4.243 4.243 . 0 0 "[ ]" 1
848 1 76 LEU HA 1 76 LEU HG . . 3.450 2.825 2.825 2.825 . 0 0 "[ ]" 1
849 1 76 LEU QB 1 77 PRO QD . . 6.880 3.242 3.242 3.242 . 0 0 "[ ]" 1
850 1 76 LEU QD 1 77 PRO QD . . 7.420 2.005 2.005 2.005 . 0 0 "[ ]" 1
851 1 77 PRO HA 1 78 VAL H . . 3.050 2.151 2.151 2.151 . 0 0 "[ ]" 1
852 1 77 PRO QB 1 78 VAL H . . 4.160 3.449 3.449 3.449 . 0 0 "[ ]" 1
853 1 77 PRO QB 1 78 VAL QG . . 7.690 4.408 4.408 4.408 . 0 0 "[ ]" 1
854 1 77 PRO QB 1 99 PHE QD . . 8.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
855 1 77 PRO QG 1 115 VAL QG . . 6.730 4.147 4.147 4.147 . 0 0 "[ ]" 1
856 1 77 PRO QG 1 118 ALA MB . . 5.640 2.835 2.835 2.835 . 0 0 "[ ]" 1
857 1 78 VAL H 1 78 VAL HB . . 3.420 2.551 2.551 2.551 . 0 0 "[ ]" 1
858 1 78 VAL H 1 79 ILE H . . 3.790 1.936 1.936 1.936 . 0 0 "[ ]" 1
859 1 78 VAL H 1 98 ALA MB . . 6.220 2.065 2.065 2.065 . 0 0 "[ ]" 1
860 1 78 VAL HA 1 79 ILE H . . 3.240 3.246 3.246 3.246 0.006 1 0 "[ ]" 1
861 1 78 VAL HB 1 79 ILE H . . 3.730 3.771 3.771 3.771 0.041 1 0 "[ ]" 1
862 1 78 VAL HB 1 98 ALA MB . . 5.100 2.285 2.285 2.285 . 0 0 "[ ]" 1
863 1 78 VAL QG 1 79 ILE H . . 5.520 3.734 3.734 3.734 . 0 0 "[ ]" 1
864 1 78 VAL QG 1 97 GLY QA . . 7.380 4.119 4.119 4.119 . 0 0 "[ ]" 1
865 1 78 VAL QG 1 98 ALA H . . 6.320 4.695 4.695 4.695 . 0 0 "[ ]" 1
866 1 78 VAL QG 1 98 ALA MB . . 7.630 2.931 2.931 2.931 . 0 0 "[ ]" 1
867 1 78 VAL MG1 1 79 ILE H . . 6.530 4.100 4.100 4.100 . 0 0 "[ ]" 1
868 1 78 VAL MG2 1 79 ILE H . . 6.530 4.299 4.299 4.299 . 0 0 "[ ]" 1
869 1 79 ILE H 1 79 ILE HB . . 3.270 2.698 2.698 2.698 . 0 0 "[ ]" 1
870 1 79 ILE H 1 100 ASP H . . 3.610 3.752 3.752 3.752 0.142 1 0 "[ ]" 1
871 1 79 ILE HA 1 80 ILE H . . 3.210 3.066 3.066 3.066 . 0 0 "[ ]" 1
872 1 79 ILE HA 1 80 ILE MG . . 5.100 4.322 4.322 4.322 . 0 0 "[ ]" 1
873 1 79 ILE HA 1 100 ASP H . . 3.520 3.044 3.044 3.044 . 0 0 "[ ]" 1
874 1 79 ILE HB 1 80 ILE H . . 3.390 3.474 3.474 3.474 0.084 1 0 "[ ]" 1
875 1 79 ILE HB 1 101 TYR HA . . 4.940 4.973 4.973 4.973 0.033 1 0 "[ ]" 1
876 1 79 ILE HB 1 114 LEU QD . . 6.270 3.387 3.387 3.387 . 0 0 "[ ]" 1
877 1 79 ILE MD 1 80 ILE H . . 5.160 2.669 2.669 2.669 . 0 0 "[ ]" 1
878 1 79 ILE MD 1 102 LEU HG . . 4.510 3.584 3.584 3.584 . 0 0 "[ ]" 1
879 1 79 ILE MD 1 106 PHE QE . . 7.810 4.562 4.562 4.562 . 0 0 "[ ]" 1
880 1 79 ILE MD 1 114 LEU QB . . 5.640 3.339 3.339 3.339 . 0 0 "[ ]" 1
881 1 79 ILE MG 1 80 ILE H . . 4.850 1.770 1.770 1.770 . 0 0 "[ ]" 1
882 1 79 ILE MG 1 100 ASP QB . . 5.820 3.988 3.988 3.988 . 0 0 "[ ]" 1
883 1 79 ILE MG 1 102 LEU H . . 5.470 3.956 3.956 3.956 . 0 0 "[ ]" 1
884 1 79 ILE MG 1 114 LEU QD . . 9.130 3.608 3.608 3.608 . 0 0 "[ ]" 1
885 1 80 ILE H 1 80 ILE HB . . 3.080 3.276 3.276 3.276 0.196 1 0 "[ ]" 1
886 1 80 ILE H 1 100 ASP QB . . 5.790 4.251 4.251 4.251 . 0 0 "[ ]" 1
887 1 80 ILE H 1 101 TYR HA . . 3.760 2.829 2.829 2.829 . 0 0 "[ ]" 1
888 1 80 ILE H 1 101 TYR QD . . 7.640 4.611 4.611 4.611 . 0 0 "[ ]" 1
889 1 80 ILE HA 1 80 ILE MD . . 4.170 1.855 1.855 1.855 . 0 0 "[ ]" 1
890 1 80 ILE HA 1 81 MET H . . 3.170 2.586 2.586 2.586 . 0 0 "[ ]" 1
891 1 80 ILE HB 1 102 LEU H . . 4.540 4.607 4.607 4.607 0.067 1 0 "[ ]" 1
892 1 80 ILE MD 1 81 MET H . . 4.760 2.891 2.891 2.891 . 0 0 "[ ]" 1
893 1 80 ILE MG 1 81 MET H . . 4.570 2.693 2.693 2.693 . 0 0 "[ ]" 1
894 1 80 ILE MG 1 93 ALA MB . . 5.570 2.758 2.758 2.758 . 0 0 "[ ]" 1
895 1 80 ILE MG 1 101 TYR HA . . 5.750 2.148 2.148 2.148 . 0 0 "[ ]" 1
896 1 80 ILE MG 1 101 TYR QD . . 7.400 2.258 2.258 2.258 . 0 0 "[ ]" 1
897 1 80 ILE MG 1 101 TYR QE . . 7.760 2.346 2.346 2.346 . 0 0 "[ ]" 1
898 1 81 MET H 1 81 MET HB2 . . 3.520 2.852 2.852 2.852 . 0 0 "[ ]" 1
899 1 81 MET H 1 81 MET HB3 . . 3.640 3.658 3.658 3.658 0.018 1 0 "[ ]" 1
900 1 81 MET H 1 81 MET HG2 . . 4.510 4.284 4.284 4.284 . 0 0 "[ ]" 1
901 1 81 MET H 1 81 MET QG . . 4.180 3.864 3.864 3.864 . 0 0 "[ ]" 1
902 1 81 MET H 1 81 MET HG3 . . 4.510 4.396 4.396 4.396 . 0 0 "[ ]" 1
903 1 81 MET H 1 82 THR H . . 3.980 3.993 3.993 3.993 0.013 1 0 "[ ]" 1
904 1 81 MET H 1 82 THR MG . . 5.470 2.576 2.576 2.576 . 0 0 "[ ]" 1
905 1 81 MET H 1 89 ALA MB . . 5.910 5.013 5.013 5.013 . 0 0 "[ ]" 1
906 1 81 MET HA 1 82 THR H . . 3.210 2.205 2.205 2.205 . 0 0 "[ ]" 1
907 1 81 MET HA 1 102 LEU H . . 3.390 3.336 3.336 3.336 . 0 0 "[ ]" 1
908 1 81 MET HA 1 102 LEU HB2 . . 4.510 4.329 4.329 4.329 . 0 0 "[ ]" 1
909 1 81 MET HA 1 102 LEU HB3 . . 4.510 3.743 3.743 3.743 . 0 0 "[ ]" 1
910 1 81 MET HB2 1 82 THR H . . 5.500 4.585 4.585 4.585 . 0 0 "[ ]" 1
911 1 81 MET HB3 1 82 THR H . . 3.610 3.694 3.694 3.694 0.084 1 0 "[ ]" 1
912 1 81 MET HB3 1 102 LEU QB . . 5.420 4.856 4.856 4.856 . 0 0 "[ ]" 1
913 1 82 THR H 1 83 ALA MB . . 5.850 4.481 4.481 4.481 . 0 0 "[ ]" 1
914 1 82 THR H 1 103 PRO HA . . 3.610 2.713 2.713 2.713 . 0 0 "[ ]" 1
915 1 82 THR H 1 104 LYS H . . 3.760 3.945 3.945 3.945 0.185 1 0 "[ ]" 1
916 1 82 THR HA 1 82 THR HB . . 3.050 2.349 2.349 2.349 . 0 0 "[ ]" 1
917 1 82 THR HA 1 83 ALA H . . 3.580 2.150 2.150 2.150 . 0 0 "[ ]" 1
918 1 82 THR MG 1 101 TYR QE . . 7.080 2.586 2.586 2.586 . 0 0 "[ ]" 1
919 1 83 ALA MB 1 104 LYS HA . . 5.040 2.665 2.665 2.665 . 0 0 "[ ]" 1
920 1 85 SER HA 1 85 SER QB . . 2.690 2.200 2.200 2.200 . 0 0 "[ ]" 1
921 1 85 SER HA 1 87 LEU QD . . 6.640 4.192 4.192 4.192 . 0 0 "[ ]" 1
922 1 86 ASP H 1 87 LEU HA . . 3.730 3.839 3.839 3.839 0.109 1 0 "[ ]" 1
923 1 86 ASP H 1 87 LEU QD . . 7.420 3.360 3.360 3.360 . 0 0 "[ ]" 1
924 1 86 ASP H 1 88 ASP H . . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
925 1 86 ASP HA 1 88 ASP H . . 4.010 2.980 2.980 2.980 . 0 0 "[ ]" 1
926 1 87 LEU HA 1 87 LEU HG . . 2.990 2.928 2.928 2.928 . 0 0 "[ ]" 1
927 1 87 LEU HA 1 88 ASP H . . 3.550 3.444 3.444 3.444 . 0 0 "[ ]" 1
928 1 87 LEU HA 1 90 ALA MB . . 4.200 2.345 2.345 2.345 . 0 0 "[ ]" 1
929 1 87 LEU QB 1 88 ASP H . . 4.050 3.263 3.263 3.263 . 0 0 "[ ]" 1
930 1 87 LEU QB 1 91 VAL QG . . 7.910 3.619 3.619 3.619 . 0 0 "[ ]" 1
931 1 87 LEU QD 1 88 ASP H . . 6.890 4.170 4.170 4.170 . 0 0 "[ ]" 1
932 1 87 LEU HG 1 88 ASP H . . 4.200 4.282 4.282 4.282 0.082 1 0 "[ ]" 1
933 1 88 ASP H 1 88 ASP HA . . 2.830 2.852 2.852 2.852 0.022 1 0 "[ ]" 1
934 1 88 ASP H 1 89 ALA H . . 3.110 2.304 2.304 2.304 . 0 0 "[ ]" 1
935 1 88 ASP H 1 89 ALA MB . . 4.850 4.022 4.022 4.022 . 0 0 "[ ]" 1
936 1 88 ASP H 1 90 ALA H . . 3.760 3.446 3.446 3.446 . 0 0 "[ ]" 1
937 1 88 ASP H 1 91 VAL QG . . 7.220 3.980 3.980 3.980 . 0 0 "[ ]" 1
938 1 88 ASP HA 1 89 ALA H . . 3.520 3.598 3.598 3.598 0.078 1 0 "[ ]" 1
939 1 88 ASP HA 1 91 VAL MG1 . . 5.130 4.149 4.149 4.149 . 0 0 "[ ]" 1
940 1 88 ASP HA 1 91 VAL MG2 . . 5.130 2.240 2.240 2.240 . 0 0 "[ ]" 1
941 1 88 ASP HA 1 92 SER H . . 3.670 3.680 3.680 3.680 0.010 1 0 "[ ]" 1
942 1 88 ASP QB 1 89 ALA H . . 4.490 2.618 2.618 2.618 . 0 0 "[ ]" 1
943 1 88 ASP QB 1 91 VAL QG . . 8.310 3.616 3.616 3.616 . 0 0 "[ ]" 1
944 1 89 ALA H 1 90 ALA H . . 3.170 2.376 2.376 2.376 . 0 0 "[ ]" 1
945 1 89 ALA H 1 90 ALA MB . . 5.380 3.855 3.855 3.855 . 0 0 "[ ]" 1
946 1 89 ALA HA 1 90 ALA H . . 3.480 3.430 3.430 3.430 . 0 0 "[ ]" 1
947 1 89 ALA HA 1 91 VAL QG . . 6.720 3.959 3.959 3.959 . 0 0 "[ ]" 1
948 1 89 ALA HA 1 92 SER H . . 5.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
949 1 90 ALA H 1 91 VAL H . . 3.860 2.503 2.503 2.503 . 0 0 "[ ]" 1
950 1 90 ALA H 1 91 VAL QG . . 7.030 2.958 2.958 2.958 . 0 0 "[ ]" 1
951 1 90 ALA HA 1 93 ALA MB . . 5.410 3.865 3.865 3.865 . 0 0 "[ ]" 1
952 1 91 VAL H 1 91 VAL HB . . 3.730 3.763 3.763 3.763 0.033 1 0 "[ ]" 1
953 1 91 VAL HA 1 94 TYR H . . 3.640 3.789 3.789 3.789 0.149 1 0 "[ ]" 1
954 1 91 VAL HA 1 94 TYR QE . . 7.630 5.097 5.097 5.097 . 0 0 "[ ]" 1
955 1 91 VAL HB 1 92 SER H . . 3.270 3.231 3.231 3.231 . 0 0 "[ ]" 1
956 1 91 VAL QG 1 92 SER H . . 6.170 1.796 1.796 1.796 . 0 0 "[ ]" 1
957 1 91 VAL QG 1 92 SER HA . . 7.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
958 1 91 VAL QG 1 93 ALA H . . 6.850 3.595 3.595 3.595 . 0 0 "[ ]" 1
959 1 91 VAL QG 1 94 TYR QE . . 7.820 4.889 4.889 4.889 . 0 0 "[ ]" 1
960 1 91 VAL MG1 1 94 TYR QE . . 8.070 5.223 5.223 5.223 . 0 0 "[ ]" 1
961 1 91 VAL MG2 1 94 TYR QE . . 8.070 5.891 5.891 5.891 . 0 0 "[ ]" 1
962 1 92 SER H 1 92 SER HB2 . . 3.140 2.026 2.026 2.026 . 0 0 "[ ]" 1
963 1 92 SER H 1 92 SER QB . . 2.910 2.003 2.003 2.003 . 0 0 "[ ]" 1
964 1 92 SER H 1 92 SER HB3 . . 3.140 3.157 3.157 3.157 0.017 1 0 "[ ]" 1
965 1 92 SER H 1 93 ALA H . . 3.140 2.589 2.589 2.589 . 0 0 "[ ]" 1
966 1 92 SER HA 1 95 GLN H . . 3.760 3.848 3.848 3.848 0.088 1 0 "[ ]" 1
967 1 92 SER QB 1 93 ALA H . . 3.370 3.054 3.054 3.054 . 0 0 "[ ]" 1
968 1 92 SER HB2 1 93 ALA H . . 3.550 3.541 3.541 3.541 . 0 0 "[ ]" 1
969 1 92 SER HB3 1 93 ALA H . . 3.550 3.336 3.336 3.336 . 0 0 "[ ]" 1
970 1 93 ALA H 1 94 TYR H . . 3.830 2.613 2.613 2.613 . 0 0 "[ ]" 1
971 1 93 ALA HA 1 96 GLN H . . 3.730 3.774 3.774 3.774 0.044 1 0 "[ ]" 1
972 1 93 ALA MB 1 95 GLN H . . 6.220 4.700 4.700 4.700 . 0 0 "[ ]" 1
973 1 93 ALA MB 1 101 TYR QD . . 7.580 2.335 2.335 2.335 . 0 0 "[ ]" 1
974 1 93 ALA MB 1 101 TYR QE . . 8.660 2.683 2.683 2.683 . 0 0 "[ ]" 1
975 1 94 TYR H 1 95 GLN H . . 3.790 1.914 1.914 1.914 . 0 0 "[ ]" 1
976 1 94 TYR H 1 95 GLN HA . . 5.500 4.520 4.520 4.520 . 0 0 "[ ]" 1
977 1 94 TYR H 1 95 GLN QB . . 4.730 4.329 4.329 4.329 . 0 0 "[ ]" 1
978 1 94 TYR H 1 95 GLN QG . . 5.880 3.856 3.856 3.856 . 0 0 "[ ]" 1
979 1 95 GLN H 1 95 GLN QB . . 3.780 3.258 3.258 3.258 . 0 0 "[ ]" 1
980 1 95 GLN H 1 96 GLN H . . 3.700 2.105 2.105 2.105 . 0 0 "[ ]" 1
981 1 95 GLN H 1 96 GLN QB . . 4.800 3.289 3.289 3.289 . 0 0 "[ ]" 1
982 1 95 GLN H 1 96 GLN QG . . 4.760 4.361 4.361 4.361 . 0 0 "[ ]" 1
983 1 95 GLN HA 1 96 GLN H . . 3.580 2.771 2.771 2.771 . 0 0 "[ ]" 1
984 1 95 GLN QG 1 96 GLN H . . 5.570 3.836 3.836 3.836 . 0 0 "[ ]" 1
985 1 95 GLN QG 1 96 GLN QG . . 4.800 2.796 2.796 2.796 . 0 0 "[ ]" 1
986 1 96 GLN H 1 96 GLN HB2 . . 3.700 3.061 3.061 3.061 . 0 0 "[ ]" 1
987 1 96 GLN H 1 96 GLN QB . . 3.350 2.947 2.947 2.947 . 0 0 "[ ]" 1
988 1 96 GLN H 1 96 GLN HB3 . . 3.700 3.841 3.841 3.841 0.141 1 0 "[ ]" 1
989 1 96 GLN H 1 96 GLN QG . . 4.240 3.831 3.831 3.831 . 0 0 "[ ]" 1
990 1 96 GLN H 1 97 GLY H . . 3.420 3.173 3.173 3.173 . 0 0 "[ ]" 1
991 1 96 GLN H 1 98 ALA H . . 3.890 3.133 3.133 3.133 . 0 0 "[ ]" 1
992 1 96 GLN H 1 99 PHE QE . . 7.620 6.681 6.681 6.681 . 0 0 "[ ]" 1
993 1 96 GLN HA 1 96 GLN QG . . 3.500 2.013 2.013 2.013 . 0 0 "[ ]" 1
994 1 96 GLN HA 1 97 GLY H . . 3.520 3.589 3.589 3.589 0.069 1 0 "[ ]" 1
995 1 96 GLN QG 1 97 GLY H . . 6.350 3.991 3.991 3.991 . 0 0 "[ ]" 1
996 1 97 GLY H 1 98 ALA H . . 3.300 3.534 3.534 3.534 0.234 1 0 "[ ]" 1
997 1 98 ALA HA 1 99 PHE H . . 3.450 2.217 2.217 2.217 . 0 0 "[ ]" 1
998 1 98 ALA HA 1 100 ASP H . . 3.520 3.565 3.565 3.565 0.045 1 0 "[ ]" 1
999 1 98 ALA MB 1 100 ASP H . . 5.470 2.762 2.762 2.762 . 0 0 "[ ]" 1
1000 1 98 ALA MB 1 101 TYR HA . . 5.410 4.591 4.591 4.591 . 0 0 "[ ]" 1
1001 1 99 PHE QD 1 100 ASP H . . 7.620 3.182 3.182 3.182 . 0 0 "[ ]" 1
1002 1 99 PHE QD 1 118 ALA HA . . 7.090 3.984 3.984 3.984 . 0 0 "[ ]" 1
1003 1 99 PHE HZ 1 118 ALA HA . . 3.670 3.672 3.672 3.672 0.002 1 0 "[ ]" 1
1004 1 100 ASP H 1 100 ASP HB2 . . 3.610 2.428 2.428 2.428 . 0 0 "[ ]" 1
1005 1 100 ASP H 1 100 ASP HB3 . . 3.610 3.610 3.610 3.610 0.000 1 0 "[ ]" 1
1006 1 100 ASP QB 1 102 LEU QD . . 7.730 3.863 3.863 3.863 . 0 0 "[ ]" 1
1007 1 100 ASP HB2 1 118 ALA MB . . 5.630 3.695 3.695 3.695 . 0 0 "[ ]" 1
1008 1 100 ASP HB3 1 118 ALA MB . . 5.630 3.907 3.907 3.907 . 0 0 "[ ]" 1
1009 1 101 TYR HA 1 102 LEU H . . 3.050 2.258 2.258 2.258 . 0 0 "[ ]" 1
1010 1 101 TYR QD 1 102 LEU H . . 7.550 2.006 2.006 2.006 . 0 0 "[ ]" 1
1011 1 101 TYR QD 1 103 PRO QG . . 7.960 2.974 2.974 2.974 . 0 0 "[ ]" 1
1012 1 101 TYR QE 1 103 PRO HG2 . . 7.630 5.098 5.098 5.098 . 0 0 "[ ]" 1
1013 1 101 TYR QE 1 103 PRO QG . . 7.170 3.776 3.776 3.776 . 0 0 "[ ]" 1
1014 1 101 TYR QE 1 103 PRO HG3 . . 7.630 3.891 3.891 3.891 . 0 0 "[ ]" 1
1015 1 102 LEU H 1 102 LEU HB2 . . 3.550 2.574 2.574 2.574 . 0 0 "[ ]" 1
1016 1 102 LEU H 1 102 LEU QB . . 3.370 2.479 2.479 2.479 . 0 0 "[ ]" 1
1017 1 102 LEU H 1 102 LEU HB3 . . 3.550 3.241 3.241 3.241 . 0 0 "[ ]" 1
1018 1 102 LEU H 1 102 LEU HG . . 4.720 4.806 4.806 4.806 0.086 1 0 "[ ]" 1
1019 1 102 LEU H 1 114 LEU MD1 . . 6.060 4.706 4.706 4.706 . 0 0 "[ ]" 1
1020 1 102 LEU H 1 114 LEU QD . . 5.470 4.051 4.051 4.051 . 0 0 "[ ]" 1
1021 1 102 LEU H 1 114 LEU MD2 . . 6.060 4.420 4.420 4.420 . 0 0 "[ ]" 1
1022 1 102 LEU HA 1 103 PRO QD . . 3.720 2.182 2.182 2.182 . 0 0 "[ ]" 1
1023 1 102 LEU QD 1 103 PRO QD . . 7.160 3.198 3.198 3.198 . 0 0 "[ ]" 1
1024 1 102 LEU QD 1 106 PHE QD . . 9.820 3.019 3.019 3.019 . 0 0 "[ ]" 1
1025 1 102 LEU QD 1 106 PHE QE . . 8.320 2.678 2.678 2.678 . 0 0 "[ ]" 1
1026 1 102 LEU QD 1 110 GLU QB . . 7.180 3.832 3.832 3.832 . 0 0 "[ ]" 1
1027 1 102 LEU QD 1 111 ALA HA . . 4.450 1.859 1.859 1.859 . 0 0 "[ ]" 1
1028 1 102 LEU QD 1 111 ALA MB . . 7.540 1.883 1.883 1.883 . 0 0 "[ ]" 1
1029 1 102 LEU QD 1 112 VAL HA . . 6.270 4.667 4.667 4.667 . 0 0 "[ ]" 1
1030 1 102 LEU QD 1 114 LEU QB . . 7.890 2.180 2.180 2.180 . 0 0 "[ ]" 1
1031 1 102 LEU QD 1 114 LEU QD . . 8.370 1.568 1.568 1.568 . 0 0 "[ ]" 1
1032 1 102 LEU MD1 1 103 PRO HD2 . . 8.860 3.500 3.500 3.500 . 0 0 "[ ]" 1
1033 1 102 LEU MD1 1 103 PRO HD3 . . 8.860 3.802 3.802 3.802 . 0 0 "[ ]" 1
1034 1 102 LEU MD1 1 106 PHE QE . . 8.530 4.295 4.295 4.295 . 0 0 "[ ]" 1
1035 1 102 LEU MD1 1 111 ALA HA . . 4.920 2.317 2.317 2.317 . 0 0 "[ ]" 1
1036 1 102 LEU MD2 1 103 PRO HD2 . . 8.860 5.611 5.611 5.611 . 0 0 "[ ]" 1
1037 1 102 LEU MD2 1 103 PRO HD3 . . 8.860 5.750 5.750 5.750 . 0 0 "[ ]" 1
1038 1 102 LEU MD2 1 106 PHE QE . . 8.530 2.705 2.705 2.705 . 0 0 "[ ]" 1
1039 1 102 LEU MD2 1 111 ALA HA . . 4.920 1.957 1.957 1.957 . 0 0 "[ ]" 1
1040 1 102 LEU HG 1 106 PHE QE . . 7.620 3.248 3.248 3.248 . 0 0 "[ ]" 1
1041 1 102 LEU HG 1 106 PHE HZ . . 4.010 4.009 4.009 4.009 . 0 0 "[ ]" 1
1042 1 103 PRO HA 1 104 LYS H . . 3.080 2.367 2.367 2.367 . 0 0 "[ ]" 1
1043 1 103 PRO HA 1 106 PHE QE . . 7.400 4.515 4.515 4.515 . 0 0 "[ ]" 1
1044 1 103 PRO QB 1 104 LYS H . . 3.570 2.755 2.755 2.755 . 0 0 "[ ]" 1
1045 1 103 PRO HB2 1 104 LYS H . . 3.860 2.885 2.885 2.885 . 0 0 "[ ]" 1
1046 1 103 PRO HB3 1 104 LYS H . . 3.860 3.489 3.489 3.489 . 0 0 "[ ]" 1
1047 1 104 LYS HA 1 104 LYS QE . . 5.320 4.298 4.298 4.298 . 0 0 "[ ]" 1
1048 1 104 LYS HA 1 106 PHE QD . . 6.820 5.216 5.216 5.216 . 0 0 "[ ]" 1
1049 1 106 PHE HA 1 107 ASP H . . 2.830 2.760 2.760 2.760 . 0 0 "[ ]" 1
1050 1 106 PHE QB 1 107 ASP H . . 3.130 1.928 1.928 1.928 . 0 0 "[ ]" 1
1051 1 106 PHE HB2 1 107 ASP H . . 3.330 1.939 1.939 1.939 . 0 0 "[ ]" 1
1052 1 106 PHE HB3 1 107 ASP H . . 3.330 3.383 3.383 3.383 0.053 1 0 "[ ]" 1
1053 1 106 PHE QD 1 107 ASP H . . 7.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
1054 1 106 PHE QD 1 108 ILE HA . . 6.510 4.108 4.108 4.108 . 0 0 "[ ]" 1
1055 1 106 PHE QD 1 108 ILE MD . . 8.280 4.430 4.430 4.430 . 0 0 "[ ]" 1
1056 1 106 PHE QE 1 108 ILE HA . . 7.340 4.730 4.730 4.730 . 0 0 "[ ]" 1
1057 1 106 PHE QE 1 108 ILE MD . . 7.560 4.142 4.142 4.142 . 0 0 "[ ]" 1
1058 1 106 PHE QE 1 114 LEU QD . . 8.790 5.200 5.200 5.200 . 0 0 "[ ]" 1
1059 1 107 ASP H 1 107 ASP HB2 . . 3.050 2.342 2.342 2.342 . 0 0 "[ ]" 1
1060 1 107 ASP H 1 107 ASP HB3 . . 3.050 3.067 3.067 3.067 0.017 1 0 "[ ]" 1
1061 1 107 ASP H 1 110 GLU H . . 3.890 3.937 3.937 3.937 0.047 1 0 "[ ]" 1
1062 1 107 ASP H 1 110 GLU QB . . 4.360 2.116 2.116 2.116 . 0 0 "[ ]" 1
1063 1 107 ASP HA 1 108 ILE H . . 2.960 2.777 2.777 2.777 . 0 0 "[ ]" 1
1064 1 107 ASP HB2 1 108 ILE H . . 3.640 3.724 3.724 3.724 0.084 1 0 "[ ]" 1
1065 1 107 ASP HB2 1 110 GLU H . . 3.580 3.489 3.489 3.489 . 0 0 "[ ]" 1
1066 1 107 ASP HB2 1 110 GLU HG2 . . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
1067 1 107 ASP HB2 1 110 GLU HG3 . . 5.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
1068 1 107 ASP HB3 1 108 ILE H . . 3.110 2.367 2.367 2.367 . 0 0 "[ ]" 1
1069 1 107 ASP HB3 1 110 GLU H . . 3.610 2.296 2.296 2.296 . 0 0 "[ ]" 1
1070 1 107 ASP HB3 1 110 GLU QB . . 4.980 2.481 2.481 2.481 . 0 0 "[ ]" 1
1071 1 107 ASP HB3 1 110 GLU HG2 . . 5.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
1072 1 107 ASP HB3 1 110 GLU HG3 . . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
1073 1 108 ILE H 1 108 ILE HB . . 2.870 2.053 2.053 2.053 . 0 0 "[ ]" 1
1074 1 108 ILE H 1 108 ILE MD . . 5.540 3.765 3.765 3.765 . 0 0 "[ ]" 1
1075 1 108 ILE H 1 108 ILE HG12 . . 4.200 3.146 3.146 3.146 . 0 0 "[ ]" 1
1076 1 108 ILE H 1 108 ILE QG . . 4.030 3.062 3.062 3.062 . 0 0 "[ ]" 1
1077 1 108 ILE H 1 108 ILE HG13 . . 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
1078 1 108 ILE H 1 108 ILE MG . . 4.570 3.417 3.417 3.417 . 0 0 "[ ]" 1
1079 1 108 ILE H 1 109 ASP H . . 3.480 2.784 2.784 2.784 . 0 0 "[ ]" 1
1080 1 108 ILE HA 1 108 ILE HB . . 2.930 2.933 2.933 2.933 0.003 1 0 "[ ]" 1
1081 1 108 ILE HA 1 108 ILE MD . . 4.200 1.815 1.815 1.815 . 0 0 "[ ]" 1
1082 1 108 ILE HA 1 108 ILE HG12 . . 4.170 2.822 2.822 2.822 . 0 0 "[ ]" 1
1083 1 108 ILE HA 1 108 ILE QG . . 3.840 2.710 2.710 2.710 . 0 0 "[ ]" 1
1084 1 108 ILE HA 1 108 ILE HG13 . . 4.170 3.500 3.500 3.500 . 0 0 "[ ]" 1
1085 1 108 ILE HA 1 110 GLU H . . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
1086 1 108 ILE HA 1 111 ALA H . . 3.390 3.346 3.346 3.346 . 0 0 "[ ]" 1
1087 1 108 ILE HA 1 112 VAL H . . 4.070 3.678 3.678 3.678 . 0 0 "[ ]" 1
1088 1 108 ILE HB 1 109 ASP H . . 3.240 2.645 2.645 2.645 . 0 0 "[ ]" 1
1089 1 108 ILE MD 1 111 ALA MB . . 4.460 2.982 2.982 2.982 . 0 0 "[ ]" 1
1090 1 108 ILE QG 1 109 ASP H . . 5.380 4.270 4.270 4.270 . 0 0 "[ ]" 1
1091 1 108 ILE MG 1 109 ASP H . . 4.390 2.064 2.064 2.064 . 0 0 "[ ]" 1
1092 1 108 ILE MG 1 109 ASP HA . . 5.440 2.815 2.815 2.815 . 0 0 "[ ]" 1
1093 1 108 ILE MG 1 109 ASP HB3 . . 6.090 4.427 4.427 4.427 . 0 0 "[ ]" 1
1094 1 109 ASP H 1 109 ASP HA . . 2.830 2.699 2.699 2.699 . 0 0 "[ ]" 1
1095 1 109 ASP H 1 109 ASP HB2 . . 2.900 2.017 2.017 2.017 . 0 0 "[ ]" 1
1096 1 109 ASP H 1 109 ASP HB3 . . 2.990 3.129 3.129 3.129 0.139 1 0 "[ ]" 1
1097 1 109 ASP HA 1 109 ASP HB2 . . 2.870 2.798 2.798 2.798 . 0 0 "[ ]" 1
1098 1 109 ASP HA 1 109 ASP HB3 . . 2.990 2.964 2.964 2.964 . 0 0 "[ ]" 1
1099 1 109 ASP HA 1 110 GLU H . . 3.610 3.624 3.624 3.624 0.014 1 0 "[ ]" 1
1100 1 109 ASP HA 1 112 VAL H . . 3.550 3.261 3.261 3.261 . 0 0 "[ ]" 1
1101 1 109 ASP HA 1 112 VAL HB . . 2.930 2.592 2.592 2.592 . 0 0 "[ ]" 1
1102 1 109 ASP HA 1 112 VAL MG2 . . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 1
1103 1 109 ASP HA 1 113 ALA H . . 3.330 2.932 2.932 2.932 . 0 0 "[ ]" 1
1104 1 109 ASP HB2 1 110 GLU H . . 3.110 3.232 3.232 3.232 0.122 1 0 "[ ]" 1
1105 1 109 ASP HB3 1 110 GLU H . . 3.520 2.673 2.673 2.673 . 0 0 "[ ]" 1
1106 1 110 GLU H 1 110 GLU HA . . 2.800 2.777 2.777 2.777 . 0 0 "[ ]" 1
1107 1 110 GLU H 1 110 GLU QB . . 3.460 2.189 2.189 2.189 . 0 0 "[ ]" 1
1108 1 110 GLU H 1 110 GLU HG2 . . 5.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
1109 1 110 GLU H 1 110 GLU QG . . 4.720 2.632 2.632 2.632 . 0 0 "[ ]" 1
1110 1 110 GLU H 1 110 GLU HG3 . . 5.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
1111 1 110 GLU H 1 111 ALA H . . 3.170 2.621 2.621 2.621 . 0 0 "[ ]" 1
1112 1 110 GLU HA 1 110 GLU HB2 . . 2.930 3.018 3.018 3.018 0.088 1 0 "[ ]" 1
1113 1 110 GLU HA 1 110 GLU QB . . 2.600 2.501 2.501 2.501 . 0 0 "[ ]" 1
1114 1 110 GLU HA 1 110 GLU HB3 . . 2.930 2.670 2.670 2.670 . 0 0 "[ ]" 1
1115 1 110 GLU HA 1 113 ALA MB . . 4.330 2.886 2.886 2.886 . 0 0 "[ ]" 1
1116 1 110 GLU QB 1 111 ALA H . . 3.900 3.102 3.102 3.102 . 0 0 "[ ]" 1
1117 1 111 ALA H 1 111 ALA HA . . 2.900 2.910 2.910 2.910 0.010 1 0 "[ ]" 1
1118 1 111 ALA H 1 112 VAL H . . 2.830 2.292 2.292 2.292 . 0 0 "[ ]" 1
1119 1 111 ALA HA 1 112 VAL H . . 3.580 3.626 3.626 3.626 0.046 1 0 "[ ]" 1
1120 1 111 ALA HA 1 114 LEU H . . 3.420 3.574 3.574 3.574 0.154 1 0 "[ ]" 1
1121 1 111 ALA HA 1 114 LEU QB . . 4.670 2.540 2.540 2.540 . 0 0 "[ ]" 1
1122 1 111 ALA HA 1 114 LEU MD1 . . 4.950 3.566 3.566 3.566 . 0 0 "[ ]" 1
1123 1 111 ALA HA 1 114 LEU QD . . 4.150 3.159 3.159 3.159 . 0 0 "[ ]" 1
1124 1 111 ALA HA 1 114 LEU MD2 . . 4.950 3.528 3.528 3.528 . 0 0 "[ ]" 1
1125 1 112 VAL H 1 112 VAL HB . . 2.870 2.415 2.415 2.415 . 0 0 "[ ]" 1
1126 1 112 VAL H 1 112 VAL MG1 . . 4.300 3.705 3.705 3.705 . 0 0 "[ ]" 1
1127 1 112 VAL H 1 112 VAL MG2 . . 3.740 2.088 2.088 2.088 . 0 0 "[ ]" 1
1128 1 112 VAL H 1 113 ALA H . . 3.170 2.659 2.659 2.659 . 0 0 "[ ]" 1
1129 1 112 VAL H 1 113 ALA MB . . 5.010 4.238 4.238 4.238 . 0 0 "[ ]" 1
1130 1 112 VAL HA 1 113 ALA H . . 3.610 3.628 3.628 3.628 0.018 1 0 "[ ]" 1
1131 1 112 VAL HA 1 115 VAL H . . 3.390 3.108 3.108 3.108 . 0 0 "[ ]" 1
1132 1 112 VAL HA 1 115 VAL HB . . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 1
1133 1 112 VAL HB 1 113 ALA H . . 2.990 2.470 2.470 2.470 . 0 0 "[ ]" 1
1134 1 112 VAL MG1 1 113 ALA H . . 4.570 3.392 3.392 3.392 . 0 0 "[ ]" 1
1135 1 112 VAL MG1 1 113 ALA HA . . 4.760 3.491 3.491 3.491 . 0 0 "[ ]" 1
1136 1 112 VAL MG1 1 116 GLU HG2 . . 4.540 3.522 3.522 3.522 . 0 0 "[ ]" 1
1137 1 112 VAL MG1 1 116 GLU QG . . 4.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
1138 1 112 VAL MG1 1 116 GLU HG3 . . 4.540 3.432 3.432 3.432 . 0 0 "[ ]" 1
1139 1 112 VAL MG2 1 113 ALA H . . 4.540 3.806 3.806 3.806 . 0 0 "[ ]" 1
1140 1 113 ALA H 1 113 ALA HA . . 2.830 2.775 2.775 2.775 . 0 0 "[ ]" 1
1141 1 113 ALA H 1 113 ALA MB . . 3.640 2.114 2.114 2.114 . 0 0 "[ ]" 1
1142 1 113 ALA H 1 114 LEU H . . 3.080 2.676 2.676 2.676 . 0 0 "[ ]" 1
1143 1 113 ALA HA 1 114 LEU H . . 3.450 3.466 3.466 3.466 0.016 1 0 "[ ]" 1
1144 1 113 ALA HA 1 116 GLU H . . 3.300 3.124 3.124 3.124 . 0 0 "[ ]" 1
1145 1 113 ALA HA 1 116 GLU QB . . 3.960 2.361 2.361 2.361 . 0 0 "[ ]" 1
1146 1 113 ALA HA 1 116 GLU QG . . 5.230 3.372 3.372 3.372 . 0 0 "[ ]" 1
1147 1 113 ALA MB 1 114 LEU H . . 4.360 3.080 3.080 3.080 . 0 0 "[ ]" 1
1148 1 114 LEU H 1 114 LEU QB . . 3.900 2.229 2.229 2.229 . 0 0 "[ ]" 1
1149 1 114 LEU H 1 114 LEU MD1 . . 5.190 4.274 4.274 4.274 . 0 0 "[ ]" 1
1150 1 114 LEU H 1 114 LEU QD . . 4.700 3.689 3.689 3.689 . 0 0 "[ ]" 1
1151 1 114 LEU H 1 114 LEU MD2 . . 5.190 4.031 4.031 4.031 . 0 0 "[ ]" 1
1152 1 114 LEU H 1 115 VAL HB . . 5.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
1153 1 114 LEU H 1 115 VAL QG . . 6.510 4.090 4.090 4.090 . 0 0 "[ ]" 1
1154 1 114 LEU HA 1 114 LEU QD . . 4.230 3.082 3.082 3.082 . 0 0 "[ ]" 1
1155 1 114 LEU HA 1 115 VAL H . . 3.480 3.490 3.490 3.490 0.010 1 0 "[ ]" 1
1156 1 114 LEU HA 1 117 ARG QB . . 4.240 3.664 3.664 3.664 . 0 0 "[ ]" 1
1157 1 114 LEU QB 1 115 VAL H . . 4.330 3.109 3.109 3.109 . 0 0 "[ ]" 1
1158 1 114 LEU QB 1 115 VAL HB . . 5.570 4.596 4.596 4.596 . 0 0 "[ ]" 1
1159 1 114 LEU QD 1 117 ARG QG . . 6.120 3.435 3.435 3.435 . 0 0 "[ ]" 1
1160 1 114 LEU HG 1 117 ARG QG . . 3.280 2.964 2.964 2.964 . 0 0 "[ ]" 1
1161 1 115 VAL H 1 115 VAL HB . . 2.990 2.145 2.145 2.145 . 0 0 "[ ]" 1
1162 1 115 VAL H 1 115 VAL MG1 . . 4.200 3.542 3.542 3.542 . 0 0 "[ ]" 1
1163 1 115 VAL H 1 115 VAL QG . . 3.740 2.781 2.781 2.781 . 0 0 "[ ]" 1
1164 1 115 VAL H 1 115 VAL MG2 . . 4.200 2.908 2.908 2.908 . 0 0 "[ ]" 1
1165 1 115 VAL H 1 116 GLU H . . 3.300 2.230 2.230 2.230 . 0 0 "[ ]" 1
1166 1 115 VAL H 1 116 GLU HB2 . . 5.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
1167 1 115 VAL H 1 116 GLU HB3 . . 5.500 5.588 5.588 5.588 0.088 1 0 "[ ]" 1
1168 1 115 VAL H 1 117 ARG QG . . 5.480 4.176 4.176 4.176 . 0 0 "[ ]" 1
1169 1 115 VAL HA 1 118 ALA H . . 4.230 3.058 3.058 3.058 . 0 0 "[ ]" 1
1170 1 115 VAL HB 1 116 GLU H . . 5.500 3.109 3.109 3.109 . 0 0 "[ ]" 1
1171 1 115 VAL QG 1 116 GLU H . . 4.590 3.202 3.202 3.202 . 0 0 "[ ]" 1
1172 1 115 VAL QG 1 116 GLU HA . . 5.860 3.157 3.157 3.157 . 0 0 "[ ]" 1
1173 1 115 VAL QG 1 118 ALA H . . 5.650 3.940 3.940 3.940 . 0 0 "[ ]" 1
1174 1 115 VAL MG1 1 116 GLU H . . 5.190 3.310 3.310 3.310 . 0 0 "[ ]" 1
1175 1 115 VAL MG1 1 118 ALA H . . 6.530 4.217 4.217 4.217 . 0 0 "[ ]" 1
1176 1 115 VAL MG2 1 116 GLU H . . 5.190 4.255 4.255 4.255 . 0 0 "[ ]" 1
1177 1 115 VAL MG2 1 118 ALA H . . 6.530 4.728 4.728 4.728 . 0 0 "[ ]" 1
1178 1 116 GLU H 1 116 GLU QB . . 3.610 2.092 2.092 2.092 . 0 0 "[ ]" 1
1179 1 116 GLU H 1 116 GLU HG2 . . 3.700 3.120 3.120 3.120 . 0 0 "[ ]" 1
1180 1 116 GLU H 1 116 GLU QG . . 3.460 2.971 2.971 2.971 . 0 0 "[ ]" 1
1181 1 116 GLU H 1 116 GLU HG3 . . 3.700 3.734 3.734 3.734 0.034 1 0 "[ ]" 1
1182 1 116 GLU H 1 117 ARG H . . 3.270 2.526 2.526 2.526 . 0 0 "[ ]" 1
1183 1 116 GLU HA 1 116 GLU HG2 . . 4.040 2.286 2.286 2.286 . 0 0 "[ ]" 1
1184 1 116 GLU HA 1 116 GLU QG . . 3.490 2.260 2.260 2.260 . 0 0 "[ ]" 1
1185 1 116 GLU HA 1 116 GLU HG3 . . 4.040 3.547 3.547 3.547 . 0 0 "[ ]" 1
1186 1 116 GLU HA 1 117 ARG H . . 3.640 3.511 3.511 3.511 . 0 0 "[ ]" 1
1187 1 116 GLU HA 1 119 ILE H . . 3.520 3.350 3.350 3.350 . 0 0 "[ ]" 1
1188 1 116 GLU HA 1 119 ILE MD . . 4.450 3.359 3.359 3.359 . 0 0 "[ ]" 1
1189 1 116 GLU HA 1 119 ILE MG . . 4.700 3.867 3.867 3.867 . 0 0 "[ ]" 1
1190 1 116 GLU QB 1 117 ARG H . . 3.900 3.064 3.064 3.064 . 0 0 "[ ]" 1
1191 1 116 GLU QG 1 117 ARG H . . 5.570 4.583 4.583 4.583 . 0 0 "[ ]" 1
1192 1 117 ARG H 1 117 ARG HA . . 2.900 2.859 2.859 2.859 . 0 0 "[ ]" 1
1193 1 117 ARG H 1 117 ARG QB . . 3.830 2.577 2.577 2.577 . 0 0 "[ ]" 1
1194 1 117 ARG H 1 117 ARG QD . . 5.970 4.126 4.126 4.126 . 0 0 "[ ]" 1
1195 1 117 ARG HA 1 117 ARG HG2 . . 4.010 4.071 4.071 4.071 0.061 1 0 "[ ]" 1
1196 1 117 ARG HA 1 117 ARG QG . . 3.790 3.346 3.346 3.346 . 0 0 "[ ]" 1
1197 1 117 ARG HA 1 117 ARG HG3 . . 4.010 3.558 3.558 3.558 . 0 0 "[ ]" 1
1198 1 117 ARG HA 1 119 ILE H . . 3.950 4.033 4.033 4.033 0.083 1 0 "[ ]" 1
1199 1 117 ARG HA 1 120 SER H . . 3.860 3.447 3.447 3.447 . 0 0 "[ ]" 1
1200 1 117 ARG QB 1 118 ALA H . . 4.270 3.691 3.691 3.691 . 0 0 "[ ]" 1
1201 1 117 ARG QD 1 118 ALA H . . 5.600 3.877 3.877 3.877 . 0 0 "[ ]" 1
1202 1 117 ARG QG 1 118 ALA H . . 5.010 2.116 2.116 2.116 . 0 0 "[ ]" 1
1203 1 117 ARG QG 1 118 ALA HA . . 5.320 3.402 3.402 3.402 . 0 0 "[ ]" 1
1204 1 118 ALA H 1 119 ILE H . . 3.110 2.289 2.289 2.289 . 0 0 "[ ]" 1
1205 1 118 ALA HA 1 120 SER H . . 5.500 4.499 4.499 4.499 . 0 0 "[ ]" 1
1206 1 118 ALA HA 1 121 HIS QB . . 4.300 1.977 1.977 1.977 . 0 0 "[ ]" 1
1207 1 118 ALA MB 1 119 ILE QG . . 5.020 3.494 3.494 3.494 . 0 0 "[ ]" 1
1208 1 119 ILE H 1 119 ILE HB . . 2.990 2.133 2.133 2.133 . 0 0 "[ ]" 1
1209 1 119 ILE H 1 119 ILE MD . . 4.640 4.023 4.023 4.023 . 0 0 "[ ]" 1
1210 1 119 ILE H 1 119 ILE HG12 . . 3.580 3.684 3.684 3.684 0.104 1 0 "[ ]" 1
1211 1 119 ILE H 1 119 ILE QG . . 3.390 2.748 2.748 2.748 . 0 0 "[ ]" 1
1212 1 119 ILE H 1 119 ILE HG13 . . 3.580 2.835 2.835 2.835 . 0 0 "[ ]" 1
1213 1 119 ILE H 1 119 ILE MG . . 4.110 3.559 3.559 3.559 . 0 0 "[ ]" 1
1214 1 119 ILE H 1 121 HIS H . . 3.480 3.540 3.540 3.540 0.060 1 0 "[ ]" 1
1215 1 119 ILE HA 1 120 SER H . . 3.520 3.612 3.612 3.612 0.092 1 0 "[ ]" 1
1216 1 119 ILE HA 1 122 TYR QB . . 4.640 3.670 3.670 3.670 . 0 0 "[ ]" 1
1217 1 119 ILE HB 1 120 SER H . . 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
1218 1 119 ILE QG 1 120 SER H . . 5.380 4.339 4.339 4.339 . 0 0 "[ ]" 1
1219 1 119 ILE MG 1 120 SER H . . 4.820 2.913 2.913 2.913 . 0 0 "[ ]" 1
1220 1 119 ILE MG 1 120 SER HA . . 5.070 3.023 3.023 3.023 . 0 0 "[ ]" 1
1221 1 120 SER HA 1 121 HIS H . . 3.520 3.457 3.457 3.457 . 0 0 "[ ]" 1
1222 1 120 SER HA 1 123 GLN HB3 . . 3.480 3.409 3.409 3.409 . 0 0 "[ ]" 1
1223 1 121 HIS H 1 121 HIS HA . . 2.870 2.783 2.783 2.783 . 0 0 "[ ]" 1
1224 1 121 HIS H 1 121 HIS HB2 . . 3.300 2.063 2.063 2.063 . 0 0 "[ ]" 1
1225 1 121 HIS H 1 121 HIS QB . . 3.010 2.026 2.026 2.026 . 0 0 "[ ]" 1
1226 1 121 HIS H 1 121 HIS HB3 . . 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 1
1227 1 121 HIS H 1 122 TYR H . . 3.170 2.638 2.638 2.638 . 0 0 "[ ]" 1
1228 1 121 HIS H 1 122 TYR QB . . 6.380 4.102 4.102 4.102 . 0 0 "[ ]" 1
1229 1 121 HIS HA 1 122 TYR H . . 3.480 3.471 3.471 3.471 . 0 0 "[ ]" 1
1230 1 122 TYR H 1 122 TYR HA . . 2.930 2.847 2.847 2.847 . 0 0 "[ ]" 1
1231 1 122 TYR H 1 122 TYR HB2 . . 3.050 1.993 1.993 1.993 . 0 0 "[ ]" 1
1232 1 122 TYR H 1 122 TYR HB3 . . 3.050 2.740 2.740 2.740 . 0 0 "[ ]" 1
1233 1 122 TYR HA 1 122 TYR HB2 . . 2.990 2.763 2.763 2.763 . 0 0 "[ ]" 1
1234 1 122 TYR HA 1 122 TYR HB3 . . 2.990 3.035 3.035 3.035 0.045 1 0 "[ ]" 1
1235 1 122 TYR QB 1 123 GLN H . . 3.600 2.557 2.557 2.557 . 0 0 "[ ]" 1
1236 1 122 TYR HB2 1 123 GLN H . . 3.920 3.458 3.458 3.458 . 0 0 "[ ]" 1
1237 1 122 TYR HB3 1 123 GLN H . . 3.920 2.634 2.634 2.634 . 0 0 "[ ]" 1
1238 1 122 TYR QD 1 123 GLN H . . 7.610 4.243 4.243 4.243 . 0 0 "[ ]" 1
1239 1 123 GLN H 1 123 GLN HB2 . . 2.990 2.873 2.873 2.873 . 0 0 "[ ]" 1
1240 1 123 GLN H 1 123 GLN HB3 . . 3.170 2.317 2.317 2.317 . 0 0 "[ ]" 1
1241 1 123 GLN H 1 123 GLN QG . . 4.890 3.898 3.898 3.898 . 0 0 "[ ]" 1
1242 1 123 GLN HA 1 123 GLN HB2 . . 2.770 2.402 2.402 2.402 . 0 0 "[ ]" 1
1243 1 123 GLN HA 1 123 GLN HB3 . . 3.020 3.039 3.039 3.039 0.019 1 0 "[ ]" 1
1244 1 123 GLN HA 1 124 GLU H . . 2.590 2.206 2.206 2.206 . 0 0 "[ ]" 1
1245 1 123 GLN QG 1 124 GLU H . . 5.690 3.135 3.135 3.135 . 0 0 "[ ]" 1
1246 1 124 GLU H 1 124 GLU HA . . 2.870 2.643 2.643 2.643 . 0 0 "[ ]" 1
1247 1 124 GLU H 1 124 GLU HB2 . . 3.390 3.459 3.459 3.459 0.069 1 0 "[ ]" 1
1248 1 124 GLU H 1 124 GLU HB3 . . 2.930 2.167 2.167 2.167 . 0 0 "[ ]" 1
1249 1 124 GLU HA 1 124 GLU HB2 . . 2.590 2.344 2.344 2.344 . 0 0 "[ ]" 1
1250 1 124 GLU HA 1 124 GLU HB3 . . 2.710 2.619 2.619 2.619 . 0 0 "[ ]" 1
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